A0A077YVX7_TRITR Loading...

T-complex protein 1 subunit delta

AlphaFold DB , UniProt , Accession A0A077YVX7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 547 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
1M42.7Very low48.7Very low241 Ų241139.4 Ų139.4100%1.18769%0.694SS**  0107.90-104.1174.8170.300107.5Q3M1-Q3 PolarHBondContact O-N 3Å; M1-Q3 VanDerWaalsContact O-N 3.09Å
2V39.6Very low49.4Very low142 Ų142135.6 Ų135.686%0.86168%0.678SS**  trans-73.999.9-172.1-178.20000109.3V4V2-V4 PolarHBondContact O-N 3.48Å
3Q42.5Very low49.9Very low172 Ų172134.5 Ų134.580%0.80467%0.67SS**  trans-76.1108.5167.2-88.3-179.2-26.100108.5M1 I5M1-Q3 PolarHBondContact O-N 3Å; M1-Q3 VanDerWaalsContact O-N 3.09Å; Q3-I5 PolarHBondContact O-N 3.48Å
4V47.2Very low50.7Low124 Ų124132.1 Ų132.175%0.75267%0.666SS**  trans-72.198.4169.5-178.30000107.7V2 V6V2-V4 PolarHBondContact O-N 3.48Å; V4-V6 PolarHBondContact O-N 3.05Å
5I50.9Low51.3Low143 Ų143134.7 Ų134.773%0.73367%0.666SS**  trans-77.5102.1173.8-59.7171.1000107.4Q3Q3-I5 PolarHBondContact O-N 3.48Å
6V55.4Low52Low66 Ų66134.8 Ų134.840%0.466%0.661SS.*  trans-68.3129.4168.6-174.10000107.8V4 R8 Q10 Q11V4-V6 PolarHBondContact O-N 3.05Å; V6-R8 PolarHBondContact O-N 3.32Å; V6-Q10 HydrophobicContact CG1-CB 4.32Å; V6-Q11 HydrophobicContact CB-CG 4.41Å; V6-Q11 HydrophobicContact CG1-CG 4.13Å
7P47.2Very low52.8Low70 Ų70131.7 Ų131.746%0.45565%0.648SS.*  trans-63.3131.2-176.924-32.2000110.9K9 Q10 Q11P7-K9 PolarHBondContact O-N 3.44Å; P7-Q10 HydrophobicContact CG-CB 4.26Å; P7-Q10 HydrophobicContact CG-CG 4.13Å; P7-Q10 PolarHBondContact O-N 3.14Å; P7-Q11 PolarHBondContact O-N 3.34Å
8R56.4Low53.8Low209 Ų209127.6 Ų127.679%0.78963%0.634SS**Hα-helixtrans-47.5-34.4-177.7-83-179.1172.7175.7-2.9114.2V6 Q10 Q11 D12V6-R8 PolarHBondContact O-N 3.32Å; R8-Q10 PolarHBondContact O-N 3.37Å; R8-Q11 PolarHBondContact O-N 3.31Å; R8-D12 PolarHBondContact O-N 3.31Å
9K52.7Low54.9Low174 Ų174124.2 Ų124.276%0.75763%0.625SS**Hα-helixtrans-63.2-35.5176.5-79.6-175.4175.1-179.60113.8P7 Q13P7-K9 PolarHBondContact O-N 3.44Å; K9-Q13 WeakPolarHBondContact O-CG 3.43Å; K9-Q13 PolarHBondContact O-N 3.33Å; K9-Q13 VanDerWaalsContact O-N 3.13Å
10Q52Low56.3Low106 Ų106124.3 Ų124.350%0.49562%0.62SS.*Hα-helixtrans-74.3-37.1175.4-80.6177.3-17.800111.1V6 P7 R8 Q13 V14V6-Q10 HydrophobicContact CG1-CB 4.32Å; P7-Q10 HydrophobicContact CG-CB 4.26Å; P7-Q10 HydrophobicContact CG-CG 4.13Å; P7-Q10 PolarHBondContact O-N 3.14Å; R8-Q10 PolarHBondContact O-N 3.37Å; Q10-Q13 PolarHBondContact O-N 3.42Å; Q10-V14 WeakPolarHBondContact O-CB 3.47Å; Q10-V14 WeakPolarHBondContact O-CG2 3.43Å; Q10-V14 PolarHBondContact O-N 3.06Å
11Q49.6Very low57.7Low86 Ų86122.3 Ų122.340%0.40261%0.608SS.*Hα-helixtrans-61.9-47.1173-71.9-178.9-18.600110.9V6 P7 R8 Q13 V14 Y15V6-Q11 HydrophobicContact CB-CG 4.41Å; V6-Q11 HydrophobicContact CG1-CG 4.13Å; P7-Q11 PolarHBondContact O-N 3.34Å; R8-Q11 PolarHBondContact O-N 3.31Å; Q11-Q13 VanDerWaalsContact C-N 3.32Å; Q11-Q13 PolarHBondContact O-N 3.35Å; Q11-V14 PolarHBondContact O-N 3.42Å; Q11-Y15 HydrophobicContact CB-CD2 4.43Å; Q11-Y15 HydrophobicContact CB-CE2 4.48Å; Q11-Y15 WeakPolarHBondContact O-CD2 3.5Å; Q11-Y15 PolarHBondContact O-N 3.12Å
12D56.2Low59.6Low94 Ų94117.7 Ų117.750%0.50358%0.581SS.*Hα-helixtrans-62.7-36.2178.5-72.2-24.2000112.9R8 K16R8-D12 PolarHBondContact O-N 3.31Å; D12-K16 WeakPolarHBondContact O-CB 3.48Å; D12-K16 VanDerWaalsContact O-CG 3.24Å; D12-K16 WeakPolarHBondContact O-CG 3.43Å; D12-K16 PolarHBondContact O-N 3.2Å
13Q57Low61.9Low122 Ų122116.9 Ų116.957%0.5757%0.568SS**Hα-helixtrans-66.8-46.2173.4-78.5178.2-14.400111.7K9 Q10 Q11 Y15 K16 D17K9-Q13 WeakPolarHBondContact O-CG 3.43Å; K9-Q13 PolarHBondContact O-N 3.33Å; K9-Q13 VanDerWaalsContact O-N 3.13Å; Q10-Q13 PolarHBondContact O-N 3.42Å; Q11-Q13 VanDerWaalsContact C-N 3.32Å; Q11-Q13 PolarHBondContact O-N 3.35Å; Q13-Y15 VanDerWaalsContact C-N 3.32Å; Q13-Y15 PolarHBondContact O-N 3.44Å; Q13-K16 PolarHBondContact O-N 2.91Å; Q13-K16 VanDerWaalsContact O-N 3.17Å; Q13-D17 VanDerWaalsContact O-CG 3.26Å; Q13-D17 PolarHBondContact O-N 2.64Å
14V59.9Low64.1Low101 Ų101109.7 Ų109.761%0.61254%0.536SS*.Hα-helixtrans-62.8-38.1177.2173.80000111.7Q10 Q11 S18Q10-V14 WeakPolarHBondContact O-CB 3.47Å; Q10-V14 WeakPolarHBondContact O-CG2 3.43Å; Q10-V14 PolarHBondContact O-N 3.06Å; Q11-V14 PolarHBondContact O-N 3.42Å; V14-S18 WeakPolarHBondContact O-CB 3.32Å; V14-S18 PolarHBondContact O-N 3.16Å
15Y60.9Low66.1Low171 Ų171105.6 Ų105.667%0.67151%0.507SS*.Hα-helixtrans-66.8-41.7173.8-83.4-70.9000112.2Q11 Q13 S18 S19Q11-Y15 HydrophobicContact CB-CD2 4.43Å; Q11-Y15 HydrophobicContact CB-CE2 4.48Å; Q11-Y15 WeakPolarHBondContact O-CD2 3.5Å; Q11-Y15 PolarHBondContact O-N 3.12Å; Q13-Y15 VanDerWaalsContact C-N 3.32Å; Q13-Y15 PolarHBondContact O-N 3.44Å; Y15-S18 PolarHBondContact O-N 3.21Å; Y15-S19 PolarHBondContact O-N 3.47Å; Y15-S19 PolarHBondContact O-OG 2.94Å
16K62.2Low68Low135 Ų135101.5 Ų101.559%0.58749%0.491SS*.Hα-helixtrans-65.2-38.2175.2-77.8177.1-178.7-176.50112.5D12 Q13 S19 K20D12-K16 WeakPolarHBondContact O-CB 3.48Å; D12-K16 VanDerWaalsContact O-CG 3.24Å; D12-K16 WeakPolarHBondContact O-CG 3.43Å; D12-K16 PolarHBondContact O-N 3.2Å; Q13-K16 PolarHBondContact O-N 2.91Å; Q13-K16 VanDerWaalsContact O-N 3.17Å; K16-S19 PolarHBondContact O-OG 2.93Å; K16-K20 WeakPolarHBondContact O-CB 3.46Å; K16-K20 VanDerWaalsContact O-CG 3.28Å; K16-K20 WeakPolarHBondContact O-CG 3.42Å; K16-K20 PolarHBondContact O-N 3.49Å
17D65.8Low69.7Low83 Ų83101.1 Ų101.144%0.44449%0.489SS..Hα-helixtrans-71.9-38.7178.6-67.1-21.3000111.1Q13 K20 K21Q13-D17 VanDerWaalsContact O-CG 3.26Å; Q13-D17 PolarHBondContact O-N 2.64Å; D17-K20 PolarHBondContact O-N 3.28Å; D17-K21 VanDerWaalsContact O-CG 3.25Å; D17-K21 WeakPolarHBondContact O-CG 3.42Å; D17-K21 PolarHBondContact O-N 3.09Å
18S69.7Low71.9Confident57 Ų5797.9 Ų97.940%0.39947%0.468SS..Hα-helixtrans-65.5-39.1174.9-1700000112.4V14 Y15 K22V14-S18 WeakPolarHBondContact O-CB 3.32Å; V14-S18 PolarHBondContact O-N 3.16Å; Y15-S18 PolarHBondContact O-N 3.21Å; S18-K22 WeakPolarHBondContact O-CG 3.29Å; S18-K22 PolarHBondContact O-N 3.41Å; S18-K22 VanDerWaalsContact O-N 3.12Å
19S75.8Confident73.6Confident64 Ų6488.6 Ų88.645%0.44843%0.434SS..Hα-helixtrans-69-41.7176.866.40000112.2Y15 K16 K22 Q23Y15-S19 PolarHBondContact O-N 3.47Å; Y15-S19 PolarHBondContact O-OG 2.94Å; K16-S19 PolarHBondContact O-OG 2.93Å; S19-K22 PolarHBondContact O-N 3.38Å; S19-Q23 WeakPolarHBondContact O-CB 3.49Å; S19-Q23 PolarHBondContact O-N 3.42Å
20K82Confident75.5Confident125 Ų12585.1 Ų85.154%0.54343%0.427SS..Hα-helixtrans-56.8-50.1172.3-76.7176.8177.9-174.40111.7K16 D17 K22 Q23 V24K16-K20 WeakPolarHBondContact O-CB 3.46Å; K16-K20 VanDerWaalsContact O-CG 3.28Å; K16-K20 WeakPolarHBondContact O-CG 3.42Å; K16-K20 PolarHBondContact O-N 3.49Å; D17-K20 PolarHBondContact O-N 3.28Å; K20-K22 VanDerWaalsContact C-N 3.29Å; K20-K22 PolarHBondContact O-N 3.13Å; K20-Q23 WeakPolarHBondContact O-CA 3.3Å; K20-Q23 WeakPolarHBondContact O-CB 3.27Å; K20-Q23 PolarHBondContact O-N 2.79Å; K20-V24 WeakPolarHBondContact O-CG2 3.4Å; K20-V24 PolarHBondContact O-N 3.39Å
21K85.4Confident77.4Confident84 Ų8481 Ų8137%0.36541%0.411SS..Hα-helixtrans-58.4-39.6178.6-71178.5-175.2-132.70112.7D17 R25 D544D17-K21 VanDerWaalsContact O-CG 3.25Å; D17-K21 WeakPolarHBondContact O-CG 3.42Å; D17-K21 PolarHBondContact O-N 3.09Å; K21-R25 WeakPolarHBondContact O-CG 3.3Å; K21-R25 PolarHBondContact O-N 3.22Å; K21-D544 HydrophobicContact CD-CB 4.29Å; K21-D544 HydrophobicContact CG-CB 4.16Å; K21-D544 WeakPolarHBondContact CG-O 3.49Å; K21-D544 IonicContact NZ-OD2 2.85Å; K21-D544 PolarHBondContact NZ-OD2 3.31Å
22K84.2Confident79.4Confident143 Ų14377 Ų7762%0.62239%0.392SS*.Hα-helixtrans-65.6-42.5174.4-73.3-179.8-179-173.90111.5S18 S19 K20 R25 S26S18-K22 WeakPolarHBondContact O-CG 3.29Å; S18-K22 PolarHBondContact O-N 3.41Å; S18-K22 VanDerWaalsContact O-N 3.12Å; S19-K22 PolarHBondContact O-N 3.38Å; K20-K22 VanDerWaalsContact C-N 3.29Å; K20-K22 PolarHBondContact O-N 3.13Å; K22-R25 PolarHBondContact O-N 2.84Å; K22-S26 PolarHBondContact O-N 3.03Å
23Q87.2Confident81.1Confident125 Ų12575.9 Ų75.958%0.58438%0.383SS*.Hα-helixtrans-62.6-47.9178.7-170.8174.50.900111.6S19 K20 R25 S26 T27S19-Q23 WeakPolarHBondContact O-CB 3.49Å; S19-Q23 PolarHBondContact O-N 3.42Å; K20-Q23 WeakPolarHBondContact O-CA 3.3Å; K20-Q23 WeakPolarHBondContact O-CB 3.27Å; K20-Q23 PolarHBondContact O-N 2.79Å; Q23-R25 VanDerWaalsContact C-N 3.28Å; Q23-R25 PolarHBondContact O-N 3.49Å; Q23-S26 WeakPolarHBondContact CA-OG 3.43Å; Q23-S26 PolarHBondContact O-N 2.91Å; Q23-S26 VanDerWaalsContact O-N 3.08Å; Q23-S26 PolarHBondContact O-OG 3.27Å; Q23-T27 HydrophobicContact CG-CG2 4.43Å; Q23-T27 WeakPolarHBondContact O-CG2 3.48Å; Q23-T27 PolarHBondContact O-N 3.02Å; Q23-T27 PolarHBondContact O-OG1 2.86Å
24V89.4Confident82.8Confident22 Ų2273 Ų7313%0.13338%0.38CS..Hα-helixtrans-57.1-41.8177.5177.70000111.5K20 T27 N28 I546K20-V24 WeakPolarHBondContact O-CG2 3.4Å; K20-V24 PolarHBondContact O-N 3.39Å; V24-T27 WeakPolarHBondContact CA-OG1 3.47Å; V24-T27 PolarHBondContact O-N 3.31Å; V24-T27 PolarHBondContact O-OG1 3.32Å; V24-N28 WeakPolarHBondContact O-CB 3.27Å; V24-N28 PolarHBondContact O-N 2.78Å; V24-N28 PolarHBondContact O-ND2 2.78Å; V24-N28 PolarHBondContact O-OD1 2.99Å; V24-I546 HydrophobicContact CG1-CD1 4.02Å; V24-I546 HydrophobicContact CG1-CG1 3.97Å
25R89Confident84.3Confident38 Ų3869 Ų6914%0.14336%0.356CS..Hα-helixtrans-66.2-42.1176.7-70.6175.2-174.8141.63.3112.1K21 K22 Q23 N28 I29 L541K21-R25 WeakPolarHBondContact O-CG 3.3Å; K21-R25 PolarHBondContact O-N 3.22Å; K22-R25 PolarHBondContact O-N 2.84Å; Q23-R25 VanDerWaalsContact C-N 3.28Å; Q23-R25 PolarHBondContact O-N 3.49Å; R25-N28 PolarHBondContact O-N 3.44Å; R25-I29 WeakPolarHBondContact O-CD1 3.11Å; R25-I29 VanDerWaalsContact O-CG1 3.29Å; R25-I29 WeakPolarHBondContact O-CG1 3.17Å; R25-I29 PolarHBondContact O-N 2.63Å; R25-L541 PolarHBondContact NE-O 3.37Å
26S89.8Confident85.8Confident57 Ų5761.2 Ų61.240%0.39933%0.326SS..Hα-helixtrans-63.8-40.8176.8700000112K22 Q23 I29 V30K22-S26 PolarHBondContact O-N 3.03Å; Q23-S26 WeakPolarHBondContact CA-OG 3.43Å; Q23-S26 PolarHBondContact O-N 2.91Å; Q23-S26 VanDerWaalsContact O-N 3.08Å; Q23-S26 PolarHBondContact O-OG 3.27Å; S26-I29 PolarHBondContact O-N 2.94Å; S26-V30 WeakPolarHBondContact O-CB 3.44Å; S26-V30 VanDerWaalsContact O-CG2 3.26Å; S26-V30 WeakPolarHBondContact O-CG2 3.24Å; S26-V30 PolarHBondContact O-N 3.22Å
27T92Very high87.3Confident57 Ų5757.9 Ų57.935%0.3532%0.315SS..Hα-helixtrans-66.8-40.4177.853.40000111Q23 V24 I29 V30 A31Q23-T27 HydrophobicContact CG-CG2 4.43Å; Q23-T27 WeakPolarHBondContact O-CG2 3.48Å; Q23-T27 PolarHBondContact O-N 3.02Å; Q23-T27 PolarHBondContact O-OG1 2.86Å; V24-T27 WeakPolarHBondContact CA-OG1 3.47Å; V24-T27 PolarHBondContact O-N 3.31Å; V24-T27 PolarHBondContact O-OG1 3.32Å; T27-I29 PolarHBondContact O-N 3.01Å; T27-V30 PolarHBondContact O-N 3.32Å; T27-A31 VanDerWaalsContact O-CB 3.26Å; T27-A31 WeakPolarHBondContact O-CB 3.36Å; T27-A31 PolarHBondContact O-N 3.25Å
28N92.1Very high88.5Confident2 Ų256 Ų561%0.01131%0.311CS..Hα-helixtrans-60-46174.9-69.2-11.6000111.9V24 R25 A32 H76 A78 I540V24-N28 WeakPolarHBondContact O-CB 3.27Å; V24-N28 PolarHBondContact O-N 2.78Å; V24-N28 PolarHBondContact O-ND2 2.78Å; V24-N28 PolarHBondContact O-OD1 2.99Å; R25-N28 PolarHBondContact O-N 3.44Å; N28-A32 WeakPolarHBondContact O-CB 3.38Å; N28-A32 PolarHBondContact O-N 3.14Å; N28-H76 PolarHBondContact OD1-CE1 3.27Å; N28-H76 VanDerWaalsContact OD1-CE1 3.22Å; N28-A78 HydrophobicContact CB-CB 3.9Å; N28-I540 HydrophobicContact CB-CG2 4.16Å
29I92.2Very high89.5Confident15 Ų1553.4 Ų53.48%0.07729%0.292CS..Hα-helixtrans-64.6-46.8179-68.5161.8000110.7R25 S26 T27 A32 K33 L108 L115R25-I29 WeakPolarHBondContact O-CD1 3.11Å; R25-I29 VanDerWaalsContact O-CG1 3.29Å; R25-I29 WeakPolarHBondContact O-CG1 3.17Å; R25-I29 PolarHBondContact O-N 2.63Å; S26-I29 PolarHBondContact O-N 2.94Å; T27-I29 PolarHBondContact O-N 3.01Å; I29-A32 PolarHBondContact O-N 2.86Å; I29-K33 VanDerWaalsContact O-CB 3.27Å; I29-K33 WeakPolarHBondContact O-CB 3.45Å; I29-K33 PolarHBondContact O-N 3.42Å; I29-L108 HydrophobicContact CG1-CB 4.25Å; I29-L108 HydrophobicContact CG1-CD2 4.31Å; I29-L108 HydrophobicContact CG2-CB 4.23Å; I29-L115 HydrophobicContact CD1-CD1 4.08Å
30V92.9Very high90.3Very high100 Ų10053.3 Ų53.361%0.60628%0.283SS*.Hα-helixtrans-63.5-44.4-180172.40000111.3S26 T27 K33 A34S26-V30 WeakPolarHBondContact O-CB 3.44Å; S26-V30 VanDerWaalsContact O-CG2 3.26Å; S26-V30 WeakPolarHBondContact O-CG2 3.24Å; S26-V30 PolarHBondContact O-N 3.22Å; T27-V30 PolarHBondContact O-N 3.32Å; V30-K33 PolarHBondContact O-N 2.69Å; V30-A34 PolarHBondContact O-N 2.91Å
31A92.1Very high90.8Very high21 Ų2149.7 Ų49.717%0.17427%0.271CS..Hα-helixtrans-64.6-43.2178.200000112.1T27 A34 V35 H76T27-A31 VanDerWaalsContact O-CB 3.26Å; T27-A31 WeakPolarHBondContact O-CB 3.36Å; T27-A31 PolarHBondContact O-N 3.25Å; A31-A34 PolarHBondContact O-N 3.42Å; A31-V35 PolarHBondContact O-N 2.9Å; A31-H76 HydrophobicContact CB-CB 4.23Å
32A92.3Very high91.1Very high0 Ų045.7 Ų45.70%025%0.254CS..Hα-helixtrans-62.6-43.8175.800000111.6N28 I29 A34 V35 V36 L82 L108N28-A32 WeakPolarHBondContact O-CB 3.38Å; N28-A32 PolarHBondContact O-N 3.14Å; I29-A32 PolarHBondContact O-N 2.86Å; A32-A34 PolarHBondContact O-N 3.35Å; A32-V35 PolarHBondContact O-N 3.44Å; A32-V36 WeakPolarHBondContact O-CG2 3.3Å; A32-V36 PolarHBondContact O-N 3.02Å; A32-V36 VanDerWaalsContact O-N 3.1Å; A32-L82 HydrophobicContact CB-CD1 3.87Å; A32-L82 WeakPolarHBondContact O-CD1 3.34Å; A32-L108 HydrophobicContact CB-CD1 3.47Å; A32-L108 VanDerWaalsContact CB-CD1 3.47Å
33K92Very high91.4Very high72 Ų7239.4 Ų39.431%0.31323%0.226SC..Hα-helixtrans-63.2-40.6177.9-173.1176.5-177.9174.20112.4I29 V30 V35 V36 D37 D109I29-K33 VanDerWaalsContact O-CB 3.27Å; I29-K33 WeakPolarHBondContact O-CB 3.45Å; I29-K33 PolarHBondContact O-N 3.42Å; V30-K33 PolarHBondContact O-N 2.69Å; K33-V35 VanDerWaalsContact C-N 3.28Å; K33-V35 PolarHBondContact O-N 3.05Å; K33-V36 WeakPolarHBondContact O-CB 3.48Å; K33-V36 PolarHBondContact O-N 3.09Å; K33-V36 VanDerWaalsContact O-N 3.1Å; K33-D37 PolarHBondContact O-N 2.97Å; K33-D109 IonicContact NZ-OD1 3.41Å; K33-D109 PolarHBondContact NZ-OD1 2.94Å
34A91.5Very high91.4Very high61 Ų6134.3 Ų34.350%0.50421%0.207SC..Hα-helixtrans-59-39.7177.300000112.4V30 A31 A32 A38V30-A34 PolarHBondContact O-N 2.91Å; A31-A34 PolarHBondContact O-N 3.42Å; A32-A34 PolarHBondContact O-N 3.35Å; A34-A38 PolarHBondContact O-N 3.16Å
35V92.1Very high91.2Very high18 Ų1836.4 Ų36.411%0.10922%0.222CC..Hα-helixtrans-68.9-39.7175172.90000111.6A31 A32 K33 D37 A38 I39 L69 A79 L82A31-V35 PolarHBondContact O-N 2.9Å; A32-V35 PolarHBondContact O-N 3.44Å; K33-V35 VanDerWaalsContact C-N 3.28Å; K33-V35 PolarHBondContact O-N 3.05Å; V35-D37 PolarHBondContact O-N 3.43Å; V35-A38 WeakPolarHBondContact O-CB 3.4Å; V35-A38 PolarHBondContact O-N 3.36Å; V35-I39 HydrophobicContact CG1-CD1 3.88Å; V35-I39 WeakPolarHBondContact O-CD1 3.36Å; V35-I39 PolarHBondContact O-N 3.27Å; V35-L69 HydrophobicContact CG1-CD2 3.46Å; V35-L69 VanDerWaalsContact CG1-CD2 3.46Å; V35-A79 HydrophobicContact CG2-CB 3.75Å; V35-L82 HydrophobicContact CB-CD1 4.48Å
36V93.1Very high91.1Very high7 Ų742.2 Ų42.24%0.04224%0.243CC..Hα-helixtrans-63-42.8177.6171.70000111.4A32 K33 A38 I39 R40 L82 V101 V102A32-V36 WeakPolarHBondContact O-CG2 3.3Å; A32-V36 PolarHBondContact O-N 3.02Å; A32-V36 VanDerWaalsContact O-N 3.1Å; K33-V36 WeakPolarHBondContact O-CB 3.48Å; K33-V36 PolarHBondContact O-N 3.09Å; K33-V36 VanDerWaalsContact O-N 3.1Å; V36-A38 VanDerWaalsContact C-N 3.26Å; V36-A38 PolarHBondContact O-N 3.46Å; V36-I39 PolarHBondContact O-N 3.31Å; V36-I39 VanDerWaalsContact O-N 3.12Å; V36-R40 WeakPolarHBondContact O-CB 3.48Å; V36-R40 PolarHBondContact O-N 3.37Å; V36-L82 HydrophobicContact CG2-CD1 3.92Å; V36-V101 HydrophobicContact CG2-CG1 3.86Å; V36-V101 WeakPolarHBondContact CG2-O 3.37Å; V36-V102 HydrophobicContact CG1-CB 4.41Å; V36-V102 HydrophobicContact CG1-CG2 4.29Å
37D92Very high91Very high64 Ų6440.1 Ų40.134%0.34223%0.231SC..Hα-helixtrans-62.6-32.8178.7-75-32.7000112.3K33 V35 R40K33-D37 PolarHBondContact O-N 2.97Å; V35-D37 PolarHBondContact O-N 3.43Å; D37-R40 IonicContact OD1-CZ 2.72Å; D37-R40 IonicContact OD1-NH1 3.47Å; D37-R40 PolarHBondContact OD1-NH1 2.98Å
38A90.9Very high90.8Very high45 Ų4543.9 Ų43.937%0.37225%0.247SC..Hα-helixtrans-65.3-39.4174.200000112.3A34 V35 V36 T41A34-A38 PolarHBondContact O-N 3.16Å; V35-A38 WeakPolarHBondContact O-CB 3.4Å; V35-A38 PolarHBondContact O-N 3.36Å; V36-A38 VanDerWaalsContact C-N 3.26Å; V36-A38 PolarHBondContact O-N 3.46Å; A38-T41 PolarHBondContact O-OG1 3.34Å; A38-T41 VanDerWaalsContact O-OG1 3.11Å
39I92.2Very high90.7Very high1 Ų147 Ų471%0.00526%0.263CS..Hα-helixtrans-87.1-26.2-174.7-64.9161000112V35 V36 T41 S42 I68 L69 T98 V101V35-I39 HydrophobicContact CG1-CD1 3.88Å; V35-I39 WeakPolarHBondContact O-CD1 3.36Å; V35-I39 PolarHBondContact O-N 3.27Å; V36-I39 PolarHBondContact O-N 3.31Å; V36-I39 VanDerWaalsContact O-N 3.12Å; I39-T41 PolarHBondContact O-N 3.44Å; I39-S42 PolarHBondContact O-N 2.86Å; I39-S42 PolarHBondContact O-OG 3.22Å; I39-I68 HydrophobicContact CG1-CG2 4.49Å; I39-L69 HydrophobicContact CD1-CD1 3.64Å; I39-L69 HydrophobicContact CD1-CD2 3.35Å; I39-L69 HydrophobicContact CD1-CG 3.37Å; I39-L69 HydrophobicContact CG1-CG 4.5Å; I39-T98 HydrophobicContact CG2-CG2 3.46Å; I39-T98 VanDerWaalsContact CG2-CG2 3.46Å; I39-V101 HydrophobicContact CD1-CG1 4.02Å
40R92.6Very high90.6Very high63 Ų6349 Ų4924%0.23827%0.271CS..Hα-helixtrans-51.3-34-179.1-165.3176.190.8-154.36113.4V36 D37 S42 L43 T475 E478 N479V36-R40 WeakPolarHBondContact O-CB 3.48Å; V36-R40 PolarHBondContact O-N 3.37Å; D37-R40 IonicContact OD1-CZ 2.72Å; D37-R40 IonicContact OD1-NH1 3.47Å; D37-R40 PolarHBondContact OD1-NH1 2.98Å; R40-S42 VanDerWaalsContact C-N 3.28Å; R40-S42 PolarHBondContact O-N 3.47Å; R40-L43 WeakPolarHBondContact O-CB 3.29Å; R40-L43 PolarHBondContact O-N 2.72Å; R40-T475 HydrophobicContact CG-CG2 3.33Å; R40-E478 IonicContact CZ-OE1 2.74Å; R40-E478 IonicContact CZ-OE2 2.95Å; R40-E478 IonicContact NE-OE2 3.09Å; R40-E478 PolarHBondContact NE-OE2 3.4Å; R40-E478 IonicContact NH2-OE1 3.98Å; R40-E478 PolarHBondContact NH2-OE1 3.33Å; R40-E478 IonicContact NH2-OE2 2.7Å; R40-E478 PolarHBondContact NH2-OE2 3.37Å; R40-N479 PolarHBondContact O-ND2 3.4Å; R40-N479 VanDerWaalsContact O-ND2 3.08Å
41T92.7Very high90.5Very high49 Ų4950.9 Ų50.930%0.30128%0.275SS..THydrogen-bonded Turntrans-72.5-12.7-179.856.50000114.6A38 I39 G47 M48 K50A38-T41 PolarHBondContact O-OG1 3.34Å; A38-T41 VanDerWaalsContact O-OG1 3.11Å; I39-T41 PolarHBondContact O-N 3.44Å; T41-G47 WeakPolarHBondContact O-CA 3.49Å; T41-M48 PolarHBondContact O-N 3.02Å; T41-K50 WeakPolarHBondContact OG1-CE 3.39Å; T41-K50 PolarHBondContact OG1-NZ 3.5Å
42S90.8Very high90.4Very high0 Ų051.3 Ų51.30%027%0.274CS..THydrogen-bonded Turntrans-93.9-4.8172.268.40000113.3I39 R40 G44 N63 T98I39-S42 PolarHBondContact O-N 2.86Å; I39-S42 PolarHBondContact O-OG 3.22Å; R40-S42 VanDerWaalsContact C-N 3.28Å; R40-S42 PolarHBondContact O-N 3.47Å; S42-G44 PolarHBondContact O-N 2.72Å; S42-N63 PolarHBondContact O-OD1 2.76Å; S42-N63 VanDerWaalsContact O-OD1 3.04Å; S42-N63 PolarHBondContact OG-O 3.4Å; S42-T98 WeakPolarHBondContact OG-CG2 3.34Å
43L91Very high90.3Very high10 Ų1058.5 Ų58.55%0.05231%0.308CS..  trans-72127.8-177.2-169.875.1000112.8R40 T98 T99 I472 T475 N479R40-L43 WeakPolarHBondContact O-CB 3.29Å; R40-L43 PolarHBondContact O-N 2.72Å; L43-T98 HydrophobicContact CB-CG2 4.08Å; L43-T98 HydrophobicContact CD1-CG2 3.84Å; L43-T99 WeakPolarHBondContact CD1-OG1 3.35Å; L43-I472 HydrophobicContact CD2-CD1 3.89Å; L43-I472 HydrophobicContact CD2-CG2 4.41Å; L43-T475 WeakPolarHBondContact CD2-OG1 3.33Å; L43-N479 PolarHBondContact O-ND2 3.24Å
44G86.8Confident90.2Very high18 Ų1859 Ų5919%0.18631%0.308CS..SBendtrans92.7176.5171.200000114.6S42 R46 G47S42-G44 PolarHBondContact O-N 2.72Å; G44-R46 PolarHBondContact O-N 3.47Å; G44-R46 VanDerWaalsContact O-N 3.16Å; G44-G47 PolarHBondContact O-N 3.41Å
45P84.4Confident90Very high66 Ų6661.3 Ų61.343%0.42933%0.326SS..THydrogen-bonded Turntrans-71.3-10.9-17329.1-36.1000114.7V506P45-V506 HydrophobicContact CG-CB 3.85Å; P45-V506 HydrophobicContact CG-CG1 4.03Å; P45-V506 HydrophobicContact CG-CG2 3.85Å
46R87.2Confident89.9Confident160 Ų16065.1 Ų65.160%0.60435%0.346SS*.THydrogen-bonded Turntrans-110.414.2171-66-69.8-170.7179.61.9111.9G44 N479 V506G44-R46 PolarHBondContact O-N 3.47Å; G44-R46 VanDerWaalsContact O-N 3.16Å; R46-N479 VanDerWaalsContact CB-O 3.31Å; R46-N479 WeakPolarHBondContact CB-O 3.41Å; R46-V506 HydrophobicContact CB-CG1 4.1Å; R46-V506 HydrophobicContact CG-CG1 3.26Å
47G87.1Confident89.7Confident14 Ų1466.8 Ų66.814%0.14437%0.365CS..PPolyproline II helixtrans-61.2146.1171.300000110.7T41 G44T41-G47 WeakPolarHBondContact O-CA 3.49Å; G44-G47 PolarHBondContact O-N 3.41Å
48M89.2Confident89.4Confident136 Ų13668.7 Ų68.767%0.6737%0.372SS*.PPolyproline II helixtrans-92.3133.4177.8-59.9-176.2-162.800110.4T41T41-M48 PolarHBondContact O-N 3.02Å
49D89.2Confident89.4Confident66 Ų6669.1 Ų69.135%0.35337%0.37SS..PPolyproline II helixtrans-66.1149.7174.8-55.6-25.6000110.8V61 N63 V166D49-V61 HydrophobicContact CB-CG1 3.88Å; D49-N63 VanDerWaalsContact OD1-CB 3.3Å; D49-N63 WeakPolarHBondContact OD1-CB 3.49Å; D49-N63 PolarHBondContact OD1-ND2 2.86Å; D49-V166 VanDerWaalsContact OD2-CG2 3.32Å; D49-V166 WeakPolarHBondContact OD2-CG2 3.41Å
50K89.7Confident89.2Confident57 Ų5769.7 Ų69.725%0.24837%0.373CS..EExtended strand (participates in β ladder)trans-104.9128.5175.7-56.2-55.4176.6-169.50109.5T41 V61 S62 I68T41-K50 WeakPolarHBondContact OG1-CE 3.39Å; T41-K50 PolarHBondContact OG1-NZ 3.5Å; K50-V61 WeakPolarHBondContact O-CA 3.48Å; K50-S62 PolarHBondContact N-O 2.77Å; K50-S62 PolarHBondContact O-N 3.28Å; K50-I68 HydrophobicContact CB-CD1 4Å; K50-I68 HydrophobicContact CB-CG1 4.12Å; K50-I68 HydrophobicContact CG-CD1 3.64Å; K50-I68 HydrophobicContact CG-CG1 4.24Å
51M90.9Very high89Confident141 Ų14168.2 Ų68.270%0.69537%0.371SS*.EExtended strand (participates in β ladder)trans-94.1118.4168.9-175.4177.2-76.300108.1V59 L60 V61M51-V59 HydrophobicContact CE-CG1 4.17Å; M51-V59 HydrophobicContact CG-CG1 3.42Å; M51-V59 VanDerWaalsContact CG-CG1 3.42Å; M51-V59 HydrophobicContact SD-CG1 3.81Å; M51-L60 CarbonylContact C-O 3.59Å; M51-L60 WeakPolarHBondContact CA-O 3.41Å; M51-V61 HydrophobicContact CB-CG2 4.35Å; M51-V61 HydrophobicContact CE-CG2 3.84Å; M51-V61 HydrophobicContact CG-CG2 4.2Å
52I90.5Very high88.7Confident30 Ų3066 Ų6615%0.15436%0.357CS..EExtended strand (participates in β ladder)trans-116.3122.1180-54.7175.8000107.4L60 I68 E71I52-L60 PolarHBondContact N-O 2.86Å; I52-L60 PolarHBondContact O-N 3.45Å; I52-I68 HydrophobicContact CD1-CB 4.32Å; I52-I68 HydrophobicContact CD1-CG1 4.38Å; I52-I68 HydrophobicContact CD1-CG2 4.13Å; I52-E71 HydrophobicContact CD1-CB 3.83Å; I52-E71 HydrophobicContact CG2-CB 4.05Å
53E91Very high88.5Confident150 Ų15066.5 Ų66.570%0.70136%0.36SS*.EExtended strand (participates in β ladder)trans-93.4119.6171.5-174.4178.6-17600108.5
54R88.4Confident88.3Confident84 Ų8466.8 Ų66.832%0.31736%0.361SS..  trans-76162.5175.2-71.8176.8170.9171.1-0.8110.7N56 G57 E58 E71R54-N56 WeakPolarHBondContact CB-OD1 3.32Å; R54-N56 PolarHBondContact O-N 3.45Å; R54-G57 PolarHBondContact O-N 3.34Å; R54-E58 PolarHBondContact N-O 2.99Å; R54-E58 IonicContact NH1-OE2 3.52Å; R54-E58 PolarHBondContact NH1-OE2 2.89Å; R54-E71 IonicContact CZ-OE1 3.06Å; R54-E71 IonicContact CZ-OE2 3.59Å; R54-E71 IonicContact NE-OE1 2.54Å; R54-E71 IonicContact NE-OE2 3Å; R54-E71 PolarHBondContact NE-OE2 3.28Å; R54-E71 VanDerWaalsContact NH2-CD 3.34Å; R54-E71 IonicContact NH2-OE1 2.75Å; R54-E71 PolarHBondContact NH2-OE1 3.46Å; R54-E71 IonicContact NH2-OE2 3.39Å; R54-E71 PolarHBondContact NH2-OE2 3.47Å
55A88.8Confident88.4Confident108 Ų10865.9 Ų65.989%0.89335%0.352SS*.THydrogen-bonded Turntrans-59-21.5176.900000114.5G57A55-G57 VanDerWaalsContact C-N 3.32Å
56N89.9Confident88.7Confident99 Ų9962.8 Ų62.853%0.52933%0.332SS..THydrogen-bonded Turntrans-85.1-0.3175.364.8-5.2000113.7R54 E58R54-N56 WeakPolarHBondContact CB-OD1 3.32Å; R54-N56 PolarHBondContact O-N 3.45Å; N56-E58 VanDerWaalsContact C-N 3.32Å; N56-E58 WeakPolarHBondContact ND2-CG 3.13Å; N56-E58 PolarHBondContact ND2-OE2 3.39Å; N56-E58 VanDerWaalsContact OD1-CB 3.3Å; N56-E58 WeakPolarHBondContact OD1-CB 3.36Å; N56-E58 PolarHBondContact OD1-N 3.1Å
57G87.8Confident88.8Confident42 Ų4255.9 Ų55.943%0.43331%0.308SS..SBendtrans81.23.5-175.600000114.5R54 A55 V59R54-G57 PolarHBondContact O-N 3.34Å; A55-G57 VanDerWaalsContact C-N 3.32Å; G57-V59 PolarHBondContact O-N 2.92Å
58E87.1Confident89Confident104 Ų10455.5 Ų55.549%0.48630%0.302SS..  trans-72.6126.8171.4-69.1177.5164.400109.9R54 N56R54-E58 PolarHBondContact N-O 2.99Å; R54-E58 IonicContact NH1-OE2 3.52Å; R54-E58 PolarHBondContact NH1-OE2 2.89Å; N56-E58 VanDerWaalsContact C-N 3.32Å; N56-E58 WeakPolarHBondContact ND2-CG 3.13Å; N56-E58 PolarHBondContact ND2-OE2 3.39Å; N56-E58 VanDerWaalsContact OD1-CB 3.3Å; N56-E58 WeakPolarHBondContact OD1-CB 3.36Å; N56-E58 PolarHBondContact OD1-N 3.1Å
59V90Very high89.1Confident54 Ų5449 Ų4933%0.32727%0.271SS..EExtended strand (participates in β ladder)trans-90.4132.4175.3-179.80000108.9M51 G57 V61 L407M51-V59 HydrophobicContact CE-CG1 4.17Å; M51-V59 HydrophobicContact CG-CG1 3.42Å; M51-V59 VanDerWaalsContact CG-CG1 3.42Å; M51-V59 HydrophobicContact SD-CG1 3.81Å; G57-V59 PolarHBondContact O-N 2.92Å; V59-V61 HydrophobicContact CG1-CG2 4.43Å; V59-L407 WeakPolarHBondContact O-CD2 3.33Å
60L87.2Confident89.2Confident13 Ų1350.9 Ų50.97%0.06828%0.275CS..EExtended strand (participates in β ladder)trans-117.3130.2171-167.677.9000109.4M51 I52 T67 E71M51-L60 CarbonylContact C-O 3.59Å; M51-L60 WeakPolarHBondContact CA-O 3.41Å; I52-L60 PolarHBondContact N-O 2.86Å; I52-L60 PolarHBondContact O-N 3.45Å; L60-T67 HydrophobicContact CD2-CG2 3.61Å; L60-E71 HydrophobicContact CD2-CG 3.77Å
61V88.9Confident89.2Confident32 Ų3250.7 Ų50.719%0.19428%0.275CS..EExtended strand (participates in β ladder)trans-111.9123.6170.5-1780000107.6D49 K50 M51 V59D49-V61 HydrophobicContact CB-CG1 3.88Å; K50-V61 WeakPolarHBondContact O-CA 3.48Å; M51-V61 HydrophobicContact CB-CG2 4.35Å; M51-V61 HydrophobicContact CE-CG2 3.84Å; M51-V61 HydrophobicContact CG-CG2 4.2Å; V59-V61 HydrophobicContact CG1-CG2 4.43Å
62S87.3Confident89Confident3 Ų347.4 Ų47.42%0.02126%0.259CS..EExtended strand (participates in β ladder)trans-150.4151.1176.1-158.70000112.5K50 D64 E411K50-S62 PolarHBondContact N-O 2.77Å; K50-S62 PolarHBondContact O-N 3.28Å; S62-D64 PolarHBondContact OG-N 3.22Å; S62-E411 WeakPolarHBondContact CB-OE2 3.39Å; S62-E411 PolarHBondContact OG-OE1 3.43Å; S62-E411 PolarHBondContact OG-OE2 3.04Å
63N87.1Confident88.8Confident10 Ų1054.8 Ų54.85%0.05329%0.293CS..  trans-95.4-23.5170.1-161.6-80.2000112S42 D49 G65S42-N63 PolarHBondContact O-OD1 2.76Å; S42-N63 VanDerWaalsContact O-OD1 3.04Å; S42-N63 PolarHBondContact OG-O 3.4Å; D49-N63 VanDerWaalsContact OD1-CB 3.3Å; D49-N63 WeakPolarHBondContact OD1-CB 3.49Å; D49-N63 PolarHBondContact OD1-ND2 2.86Å; N63-G65 PolarHBondContact O-N 2.93Å
64D86.8Confident88.5Confident15 Ų1548.8 Ų48.88%0.0827%0.266CS..  trans-69.4122.9-172.3170.942.3000112S62 A66 T67 I68 T97S62-D64 PolarHBondContact OG-N 3.22Å; D64-A66 VanDerWaalsContact C-N 3.3Å; D64-A66 PolarHBondContact O-N 2.76Å; D64-A66 PolarHBondContact OD1-N 3.33Å; D64-T67 PolarHBondContact O-N 3.19Å; D64-T67 WeakPolarHBondContact OD2-CB 3.46Å; D64-T67 PolarHBondContact OD2-N 3Å; D64-T67 PolarHBondContact OD2-OG1 2.71Å; D64-I68 WeakPolarHBondContact O-CD1 3.28Å; D64-I68 VanDerWaalsContact O-CG1 3.24Å; D64-I68 WeakPolarHBondContact O-CG1 3.31Å; D64-I68 PolarHBondContact O-N 2.87Å; D64-T97 WeakPolarHBondContact OD1-CB 3.26Å; D64-T97 PolarHBondContact OD1-OG1 3.33Å
65G88.2Confident88.5Confident0 Ų051 Ų510%029%0.289CS..Hα-helixtrans-62-34.4-176.900000113.4N63 L69 T98N63-G65 PolarHBondContact O-N 2.93Å; G65-L69 VanDerWaalsContact O-CB 3.26Å; G65-L69 WeakPolarHBondContact O-CB 3.31Å; G65-L69 VanDerWaalsContact O-CG 3.28Å; G65-L69 WeakPolarHBondContact O-CG 3.21Å; G65-L69 PolarHBondContact O-N 3.41Å; G65-T98 PolarHBondContact N-OG1 3.18Å
66A89.9Confident88.5Confident0 Ų048.5 Ų48.50%026%0.259CS..Hα-helixtrans-69-46.9178.100000111D64 I68 L69 K70 A86 D90 T97D64-A66 VanDerWaalsContact C-N 3.3Å; D64-A66 PolarHBondContact O-N 2.76Å; D64-A66 PolarHBondContact OD1-N 3.33Å; A66-I68 PolarHBondContact O-N 3.3Å; A66-L69 PolarHBondContact O-N 3.19Å; A66-K70 WeakPolarHBondContact O-CG 3.38Å; A66-K70 PolarHBondContact O-N 3.39Å; A66-A86 HydrophobicContact CB-CB 3.99Å; A66-D90 HydrophobicContact CB-CB 4.34Å; A66-T97 HydrophobicContact CB-CG2 3.79Å
67T88.9Confident88.5Confident16 Ų1646.8 Ų46.810%0.09825%0.253CS..Hα-helixtrans-59.5-46175.2-60.20000111.7L60 D64 L69 K70 E71L60-T67 HydrophobicContact CD2-CG2 3.61Å; D64-T67 PolarHBondContact O-N 3.19Å; D64-T67 WeakPolarHBondContact OD2-CB 3.46Å; D64-T67 PolarHBondContact OD2-N 3Å; D64-T67 PolarHBondContact OD2-OG1 2.71Å; T67-L69 VanDerWaalsContact C-N 3.34Å; T67-L69 PolarHBondContact O-N 3.28Å; T67-K70 PolarHBondContact O-N 2.88Å; T67-E71 VanDerWaalsContact O-CG 3.32Å; T67-E71 WeakPolarHBondContact O-CG 3.46Å; T67-E71 PolarHBondContact O-N 3.06Å
68I91.8Very high88.5Confident5 Ų544.9 Ų44.93%0.02623%0.233CC..Hα-helixtrans-58.6-47.2176.9-67.8162.4000110.7I39 K50 I52 D64 A66 K70 E71 M72I39-I68 HydrophobicContact CG1-CG2 4.49Å; K50-I68 HydrophobicContact CB-CD1 4Å; K50-I68 HydrophobicContact CB-CG1 4.12Å; K50-I68 HydrophobicContact CG-CD1 3.64Å; K50-I68 HydrophobicContact CG-CG1 4.24Å; I52-I68 HydrophobicContact CD1-CB 4.32Å; I52-I68 HydrophobicContact CD1-CG1 4.38Å; I52-I68 HydrophobicContact CD1-CG2 4.13Å; D64-I68 WeakPolarHBondContact O-CD1 3.28Å; D64-I68 VanDerWaalsContact O-CG1 3.24Å; D64-I68 WeakPolarHBondContact O-CG1 3.31Å; D64-I68 PolarHBondContact O-N 2.87Å; A66-I68 PolarHBondContact O-N 3.3Å; I68-K70 PolarHBondContact O-N 3.25Å; I68-E71 PolarHBondContact O-N 3.48Å; I68-M72 HydrophobicContact CG2-CG 4.4Å; I68-M72 HydrophobicContact CG2-SD 3.83Å; I68-M72 VanDerWaalsContact O-CG 3.28Å; I68-M72 WeakPolarHBondContact O-CG 3.44Å; I68-M72 PolarHBondContact O-N 3.41Å
69L92.4Very high88.7Confident1 Ų140 Ų401%0.00521%0.211CC..Hα-helixtrans-66.6-34.4-178.5-83.4173.4000114.2V35 I39 G65 A66 T67 E71 V83 A86 V101V35-L69 HydrophobicContact CG1-CD2 3.46Å; V35-L69 VanDerWaalsContact CG1-CD2 3.46Å; I39-L69 HydrophobicContact CD1-CD1 3.64Å; I39-L69 HydrophobicContact CD1-CD2 3.35Å; I39-L69 HydrophobicContact CD1-CG 3.37Å; I39-L69 HydrophobicContact CG1-CG 4.5Å; G65-L69 VanDerWaalsContact O-CB 3.26Å; G65-L69 WeakPolarHBondContact O-CB 3.31Å; G65-L69 VanDerWaalsContact O-CG 3.28Å; G65-L69 WeakPolarHBondContact O-CG 3.21Å; G65-L69 PolarHBondContact O-N 3.41Å; A66-L69 PolarHBondContact O-N 3.19Å; T67-L69 VanDerWaalsContact C-N 3.34Å; T67-L69 PolarHBondContact O-N 3.28Å; L69-E71 VanDerWaalsContact C-N 3.33Å; L69-V83 HydrophobicContact CB-CB 4.42Å; L69-V83 HydrophobicContact CB-CG1 4.2Å; L69-V83 HydrophobicContact CB-CG2 4.1Å; L69-V83 HydrophobicContact CD2-CG2 4.05Å; L69-A86 HydrophobicContact CD1-CB 3.73Å; L69-V101 HydrophobicContact CD1-CG1 4.3Å; L69-V101 HydrophobicContact CD1-CG2 3.64Å
70K90.8Very high88.7Confident105 Ų10543.4 Ų43.446%0.45722%0.221SC..Hα-helixtrans-66.8-36176.1-75.7175.7-169.6172.50112.3A66 T67 I68 D87 D90A66-K70 WeakPolarHBondContact O-CG 3.38Å; A66-K70 PolarHBondContact O-N 3.39Å; T67-K70 PolarHBondContact O-N 2.88Å; I68-K70 PolarHBondContact O-N 3.25Å; K70-D87 WeakPolarHBondContact CE-OD1 3.34Å; K70-D87 WeakPolarHBondContact CE-OD2 3.43Å; K70-D87 IonicContact NZ-OD1 3.05Å; K70-D90 IonicContact NZ-OD2 3.81Å
71E89.4Confident89Confident52 Ų5245.9 Ų45.924%0.24323%0.233CC..Hα-helixtrans-83.5-22.6-178.7-61.3-62.215400112.6I52 R54 L60 T67 I68 L69 E73I52-E71 HydrophobicContact CD1-CB 3.83Å; I52-E71 HydrophobicContact CG2-CB 4.05Å; R54-E71 IonicContact CZ-OE1 3.06Å; R54-E71 IonicContact CZ-OE2 3.59Å; R54-E71 IonicContact NE-OE1 2.54Å; R54-E71 IonicContact NE-OE2 3Å; R54-E71 PolarHBondContact NE-OE2 3.28Å; R54-E71 VanDerWaalsContact NH2-CD 3.34Å; R54-E71 IonicContact NH2-OE1 2.75Å; R54-E71 PolarHBondContact NH2-OE1 3.46Å; R54-E71 IonicContact NH2-OE2 3.39Å; R54-E71 PolarHBondContact NH2-OE2 3.47Å; L60-E71 HydrophobicContact CD2-CG 3.77Å; T67-E71 VanDerWaalsContact O-CG 3.32Å; T67-E71 WeakPolarHBondContact O-CG 3.46Å; T67-E71 PolarHBondContact O-N 3.06Å; I68-E71 PolarHBondContact O-N 3.48Å; L69-E71 VanDerWaalsContact C-N 3.33Å; E71-E73 PolarHBondContact O-N 3.25Å
72M86.2Confident89.2Confident72 Ų7244.3 Ų44.336%0.35522%0.224SC..SBendtrans-74.1123173.8-73.8-179.574.600111I68 V74I68-M72 HydrophobicContact CG2-CG 4.4Å; I68-M72 HydrophobicContact CG2-SD 3.83Å; I68-M72 VanDerWaalsContact O-CG 3.28Å; I68-M72 WeakPolarHBondContact O-CG 3.44Å; I68-M72 PolarHBondContact O-N 3.41Å; M72-V74 VanDerWaalsContact C-N 3.32Å; M72-V74 HydrophobicContact CB-CG2 4.2Å; M72-V74 PolarHBondContact O-N 3.04Å
73E86.5Confident89.5Confident186 Ų18645.3 Ų45.387%0.86923%0.229SC*.  trans-72.684.1173.2-67.6-172.6173.600111.3E71 V75E71-E73 PolarHBondContact O-N 3.25Å; E73-V75 PolarHBondContact O-N 3Å
74V86.1Confident89.7Confident23 Ų2346.7 Ų46.714%0.13925%0.246CC..  trans-84.1113179.7-179.50000110.7M72 A79 K80 V83M72-V74 VanDerWaalsContact C-N 3.32Å; M72-V74 HydrophobicContact CB-CG2 4.2Å; M72-V74 PolarHBondContact O-N 3.04Å; V74-A79 HydrophobicContact CG1-CB 3.19Å; V74-K80 HydrophobicContact CB-CG 4.42Å; V74-K80 HydrophobicContact CG1-CG 4.23Å; V74-K80 WeakPolarHBondContact O-CE 3.41Å; V74-K80 WeakPolarHBondContact O-CG 3.32Å; V74-V83 HydrophobicContact CG2-CG2 4.22Å
75V88.2Confident90.1Very high131 Ų13146.6 Ų46.679%0.79425%0.246SC*.  trans-78.8-41.5179.5-178.60000112.2E73E73-V75 PolarHBondContact O-N 3Å
76H88.8Confident90.4Very high55 Ų5546.6 Ų46.626%0.25525%0.246SC..SBendtrans-72.5131.1-170-168.2-73.6000112.5N28 A31 A78 A79 K80N28-H76 PolarHBondContact OD1-CE1 3.27Å; N28-H76 VanDerWaalsContact OD1-CE1 3.22Å; A31-H76 HydrophobicContact CB-CB 4.23Å; H76-A78 PolarHBondContact ND1-N 3.26Å; H76-A78 VanDerWaalsContact ND1-N 3.18Å; H76-A78 PolarHBondContact O-N 2.97Å; H76-A79 HydrophobicContact CB-CB 4.25Å; H76-A79 PolarHBondContact O-N 3.45Å; H76-K80 PolarHBondContact O-N 2.94Å
77P88.8Confident90.5Very high64 Ų6448.9 Ų48.942%0.41626%0.258SS..Hα-helixtrans-57.4-45.7-175.9-26.634.2000114.5A79 K80 M81P77-A79 PolarHBondContact O-N 2.91Å; P77-K80 WeakPolarHBondContact O-CB 3.49Å; P77-K80 PolarHBondContact O-N 2.88Å; P77-K80 VanDerWaalsContact O-N 3.12Å; P77-M81 PolarHBondContact O-N 3.4Å
78A88.4Confident90.8Very high1 Ų149.9 Ų49.91%0.00827%0.268CS..Hα-helixtrans-60.4-31.417800000112.9N28 H76 M81N28-A78 HydrophobicContact CB-CB 3.9Å; H76-A78 PolarHBondContact ND1-N 3.26Å; H76-A78 VanDerWaalsContact ND1-N 3.18Å; H76-A78 PolarHBondContact O-N 2.97Å; A78-M81 WeakPolarHBondContact O-CB 3.16Å; A78-M81 PolarHBondContact O-N 3.41Å
79A90.1Very high90.9Very high2 Ų249.6 Ų49.62%0.01727%0.267CS..Hα-helixtrans-80.4-34.1177.500000111.4V35 V74 H76 P77 M81 L82 V83V35-A79 HydrophobicContact CG2-CB 3.75Å; V74-A79 HydrophobicContact CG1-CB 3.19Å; H76-A79 HydrophobicContact CB-CB 4.25Å; H76-A79 PolarHBondContact O-N 3.45Å; P77-A79 PolarHBondContact O-N 2.91Å; A79-M81 PolarHBondContact O-N 3.47Å; A79-L82 WeakPolarHBondContact O-CB 3.22Å; A79-L82 PolarHBondContact O-N 3.35Å; A79-V83 PolarHBondContact O-N 3.18Å
80K91.6Very high90.9Very high125 Ų12551.4 Ų51.454%0.54328%0.276SS..Hα-helixtrans-59.2-33.7167.5-69.7-173.1179-176.90112.4V74 H76 P77 L82 V83 G84V74-K80 HydrophobicContact CB-CG 4.42Å; V74-K80 HydrophobicContact CG1-CG 4.23Å; V74-K80 WeakPolarHBondContact O-CE 3.41Å; V74-K80 WeakPolarHBondContact O-CG 3.32Å; H76-K80 PolarHBondContact O-N 2.94Å; P77-K80 WeakPolarHBondContact O-CB 3.49Å; P77-K80 PolarHBondContact O-N 2.88Å; P77-K80 VanDerWaalsContact O-N 3.12Å; K80-L82 VanDerWaalsContact C-N 3.28Å; K80-L82 PolarHBondContact O-N 3.11Å; K80-V83 WeakPolarHBondContact O-CB 3.33Å; K80-V83 PolarHBondContact O-N 3.41Å; K80-G84 PolarHBondContact O-N 3.04Å; K80-G84 VanDerWaalsContact O-N 3.09Å
81M92.5Very high90.8Very high65 Ų6551 Ų5132%0.3228%0.282SS..Hα-helixtrans-63.5-33.6173.6-66.2179.569.900112.5P77 A78 A79 G84 L85 I540 I543P77-M81 PolarHBondContact O-N 3.4Å; A78-M81 WeakPolarHBondContact O-CB 3.16Å; A78-M81 PolarHBondContact O-N 3.41Å; A79-M81 PolarHBondContact O-N 3.47Å; M81-G84 PolarHBondContact O-N 2.83Å; M81-L85 PolarHBondContact O-N 3.39Å; M81-I540 HydrophobicContact CE-CG1 3.81Å; M81-I540 HydrophobicContact SD-CG1 3.78Å; M81-I543 HydrophobicContact SD-CD1 3.82Å
82L93.1Very high90.7Very high0 Ų052.4 Ų52.40%029%0.289CS..Hα-helixtrans-68.7-36.6174.4-64.7179.1000112.1A32 V35 V36 A79 K80 L85 A86 V101 A104A32-L82 HydrophobicContact CB-CD1 3.87Å; A32-L82 WeakPolarHBondContact O-CD1 3.34Å; V35-L82 HydrophobicContact CB-CD1 4.48Å; V36-L82 HydrophobicContact CG2-CD1 3.92Å; A79-L82 WeakPolarHBondContact O-CB 3.22Å; A79-L82 PolarHBondContact O-N 3.35Å; K80-L82 VanDerWaalsContact C-N 3.28Å; K80-L82 PolarHBondContact O-N 3.11Å; L82-L85 PolarHBondContact O-N 2.91Å; L82-A86 PolarHBondContact O-N 3.21Å; L82-V101 HydrophobicContact CB-CG1 4.49Å; L82-V101 HydrophobicContact CD1-CG1 4.4Å; L82-A104 HydrophobicContact CD2-CB 3.87Å
83V93.1Very high90.7Very high23 Ų2349 Ų4914%0.13927%0.272CS..Hα-helixtrans-58.1-50.9171.8-176.30000109.8L69 V74 A79 K80 L85 A86 D87L69-V83 HydrophobicContact CB-CB 4.42Å; L69-V83 HydrophobicContact CB-CG1 4.2Å; L69-V83 HydrophobicContact CB-CG2 4.1Å; L69-V83 HydrophobicContact CD2-CG2 4.05Å; V74-V83 HydrophobicContact CG2-CG2 4.22Å; A79-V83 PolarHBondContact O-N 3.18Å; K80-V83 WeakPolarHBondContact O-CB 3.33Å; K80-V83 PolarHBondContact O-N 3.41Å; V83-L85 PolarHBondContact O-N 3.44Å; V83-A86 PolarHBondContact O-N 3.27Å; V83-A86 VanDerWaalsContact O-N 3.12Å; V83-D87 PolarHBondContact O-N 3.49Å
84G93Very high90.5Very high40 Ų4040.2 Ų40.241%0.41223%0.231SC..Hα-helixtrans-61.7-30.5177.800000114K80 M81 A88K80-G84 PolarHBondContact O-N 3.04Å; K80-G84 VanDerWaalsContact O-N 3.09Å; M81-G84 PolarHBondContact O-N 2.83Å; G84-A88 WeakPolarHBondContact O-CB 3.28Å; G84-A88 PolarHBondContact O-N 3.49Å
85L94.2Very high90.6Very high12 Ų1240.9 Ų40.96%0.06323%0.234CC..Hα-helixtrans-71.3-39.3174.3163.1154.5000112.3M81 L82 V83 D87 A88 Q89 V100 V101 A104 A536M81-L85 PolarHBondContact O-N 3.39Å; L82-L85 PolarHBondContact O-N 2.91Å; V83-L85 PolarHBondContact O-N 3.44Å; L85-D87 VanDerWaalsContact C-N 3.31Å; L85-A88 PolarHBondContact O-N 2.99Å; L85-Q89 PolarHBondContact O-N 3.46Å; L85-Q89 VanDerWaalsContact O-N 3.09Å; L85-V100 HydrophobicContact CD1-CG1 3.84Å; L85-V100 HydrophobicContact CD2-CB 3.64Å; L85-V100 HydrophobicContact CD2-CG1 3.34Å; L85-V100 HydrophobicContact CG-CB 4.44Å; L85-V100 HydrophobicContact CG-CG1 3.64Å; L85-V101 HydrophobicContact CD2-CG2 3.77Å; L85-A104 HydrophobicContact CD1-CB 4.05Å; L85-A536 HydrophobicContact CD1-CB 3.35Å
86A94.1Very high90.5Very high0 Ų035 Ų350%020%0.2CC..Hα-helixtrans-63.3-41.4174.300000110.8A66 L69 L82 V83 Q89 D90 V101A66-A86 HydrophobicContact CB-CB 3.99Å; L69-A86 HydrophobicContact CD1-CB 3.73Å; L82-A86 PolarHBondContact O-N 3.21Å; V83-A86 PolarHBondContact O-N 3.27Å; V83-A86 VanDerWaalsContact O-N 3.12Å; A86-Q89 PolarHBondContact O-N 3.2Å; A86-D90 WeakPolarHBondContact O-CB 3.49Å; A86-D90 PolarHBondContact O-N 2.93Å; A86-V101 HydrophobicContact CB-CG2 3.85Å
87D92.9Very high90.7Very high48 Ų4832.6 Ų32.626%0.25719%0.189SC..Hα-helixtrans-64.1-40.8176.6-68.71.5000112.3K70 V83 L85 Q89 D90 V91K70-D87 WeakPolarHBondContact CE-OD1 3.34Å; K70-D87 WeakPolarHBondContact CE-OD2 3.43Å; K70-D87 IonicContact NZ-OD1 3.05Å; V83-D87 PolarHBondContact O-N 3.49Å; L85-D87 VanDerWaalsContact C-N 3.31Å; D87-Q89 VanDerWaalsContact C-N 3.34Å; D87-Q89 PolarHBondContact O-N 2.95Å; D87-D90 PolarHBondContact O-N 3.28Å; D87-V91 WeakPolarHBondContact O-CG2 3.16Å; D87-V91 PolarHBondContact O-N 2.9Å
88A94.4Very high90.9Very high37 Ų3730.1 Ų30.131%0.30617%0.173SC..Hα-helixtrans-63.3-40.7176.100000111.9G84 L85 V91 E92 L532G84-A88 WeakPolarHBondContact O-CB 3.28Å; G84-A88 PolarHBondContact O-N 3.49Å; L85-A88 PolarHBondContact O-N 2.99Å; A88-V91 PolarHBondContact O-N 3.43Å; A88-E92 WeakPolarHBondContact O-CB 3.49Å; A88-E92 PolarHBondContact O-N 3.37Å; A88-L532 HydrophobicContact CB-CD1 4.25Å
89Q94.1Very high91.1Very high0 Ų031.4 Ų31.40%018%0.181CC..Hα-helixtrans-65.7-42175.1-179.172.5500111.7L85 A86 D87 V91 E92 A93 G94 D95 V100 V525 S528 L532L85-Q89 PolarHBondContact O-N 3.46Å; L85-Q89 VanDerWaalsContact O-N 3.09Å; A86-Q89 PolarHBondContact O-N 3.2Å; D87-Q89 VanDerWaalsContact C-N 3.34Å; D87-Q89 PolarHBondContact O-N 2.95Å; Q89-V91 VanDerWaalsContact C-N 3.3Å; Q89-V91 PolarHBondContact O-N 2.89Å; Q89-E92 PolarHBondContact O-N 3.19Å; Q89-A93 PolarHBondContact O-N 3.28Å; Q89-G94 PolarHBondContact O-N 3.17Å; Q89-D95 WeakPolarHBondContact CG-O 3.2Å; Q89-D95 PolarHBondContact NE2-O 2.98Å; Q89-V100 HydrophobicContact CB-CG2 3.71Å; Q89-V100 VanDerWaalsContact CD-CG2 3.45Å; Q89-V100 HydrophobicContact CG-CG2 3.41Å; Q89-V100 VanDerWaalsContact CG-CG2 3.41Å; Q89-V525 PolarHBondContact NE2-O 3.32Å; Q89-S528 PolarHBondContact NE2-OG 3.41Å; Q89-S528 PolarHBondContact OE1-OG 3.15Å; Q89-L532 HydrophobicContact CB-CD1 4.29Å
90D91.8Very high91.3Very high39 Ų3931.3 Ų31.321%0.20918%0.18CC..Hα-helixtrans-58.9-42.9178-174.239.1000111.2A66 K70 A86 D87 G94 T97A66-D90 HydrophobicContact CB-CB 4.34Å; K70-D90 IonicContact NZ-OD2 3.81Å; A86-D90 WeakPolarHBondContact O-CB 3.49Å; A86-D90 PolarHBondContact O-N 2.93Å; D87-D90 PolarHBondContact O-N 3.28Å; D90-G94 WeakPolarHBondContact O-CA 3.26Å; D90-G94 PolarHBondContact O-N 3.38Å; D90-T97 HydrophobicContact CB-CG2 3.86Å
91V89.4Confident91.5Very high97 Ų9725.4 Ų25.459%0.58815%0.154SC*.Hα-helixtrans-70.4-42.3177.8175.30000112.7D87 A88 Q89 R424D87-V91 WeakPolarHBondContact O-CG2 3.16Å; D87-V91 PolarHBondContact O-N 2.9Å; A88-V91 PolarHBondContact O-N 3.43Å; Q89-V91 VanDerWaalsContact C-N 3.3Å; Q89-V91 PolarHBondContact O-N 2.89Å; V91-R424 PolarHBondContact O-NH1 2.99Å; V91-R424 PolarHBondContact O-NH2 2.9Å
92E87.2Confident91.6Very high81 Ų8122.3 Ų22.338%0.37914%0.139SC..Hα-helixtrans-77.5-49.1-175.2-79.7-66.2148.800113.2A88 Q89 R424 R428A88-E92 WeakPolarHBondContact O-CB 3.49Å; A88-E92 PolarHBondContact O-N 3.37Å; Q89-E92 PolarHBondContact O-N 3.19Å; E92-R424 PolarHBondContact O-NH2 2.95Å; E92-R428 PolarHBondContact O-NH1 3.05Å; E92-R428 IonicContact OE2-CZ 2.88Å; E92-R428 VanDerWaalsContact OE2-CZ 3.31Å; E92-R428 IonicContact OE2-NH1 2.71Å; E92-R428 PolarHBondContact OE2-NH1 3.21Å; E92-R428 IonicContact OE2-NH2 3.97Å; E92-R428 PolarHBondContact OE2-NH2 2.84Å
93A86.8Confident91.7Very high0 Ų022.5 Ų22.50%014%0.14CC..THydrogen-bonded Turntrans-110.3-37.4-175.300000112.6Q89 D95 C421 C425 V525Q89-A93 PolarHBondContact O-N 3.28Å; A93-D95 PolarHBondContact O-N 3.25Å; A93-C421 CarbonylContact O-C 3.53Å; A93-C421 WeakPolarHBondContact O-CB 3.3Å; A93-C425 VanDerWaalsContact CA-SG 3.52Å; A93-C425 PolarHBondContact O-SG 2.74Å; A93-V525 HydrophobicContact CB-CG2 4.29Å
94G82.1Confident91.8Very high1 Ų121.4 Ų21.41%0.0113%0.134CC..SBendtrans67.915.2-174.600000114.4Q89 D90 D418Q89-G94 PolarHBondContact O-N 3.17Å; D90-G94 WeakPolarHBondContact O-CA 3.26Å; D90-G94 PolarHBondContact O-N 3.38Å; G94-D418 WeakPolarHBondContact O-CB 3.41Å
95D87Confident91.9Very high37 Ų3719.6 Ų19.620%0.19812%0.115CC..SBendtrans-149161.4169.9-166.413.8000109.4Q89 A93 T97 V422 V525Q89-D95 WeakPolarHBondContact CG-O 3.2Å; Q89-D95 PolarHBondContact NE2-O 2.98Å; A93-D95 PolarHBondContact O-N 3.25Å; D95-T97 VanDerWaalsContact C-N 3.31Å; D95-T97 PolarHBondContact O-N 2.95Å; D95-V422 HydrophobicContact CB-CG2 3.51Å; D95-V525 HydrophobicContact CB-CG1 4.39Å; D95-V525 HydrophobicContact CB-CG2 4.38Å
96G88.1Confident91.9Very high8 Ų821.2 Ų21.28%0.08212%0.122CC..  trans74.117.2-178.800000114.4T98 T99 V100G96-T98 VanDerWaalsContact C-N 3.3Å; G96-T98 PolarHBondContact O-N 3.36Å; G96-T99 WeakPolarHBondContact O-CA 3.42Å; G96-T99 VanDerWaalsContact O-CB 3.32Å; G96-T99 WeakPolarHBondContact O-CB 3.15Å; G96-T99 PolarHBondContact O-N 3.02Å; G96-V100 WeakPolarHBondContact O-CG2 3.25Å; G96-V100 PolarHBondContact O-N 3.28Å
97T92.3Very high91.9Very high4 Ų421.4 Ų21.43%0.02512%0.123CC..Hα-helixtrans-50.2-49.317652.30000111.6D64 A66 D90 D95 V100 V101D64-T97 WeakPolarHBondContact OD1-CB 3.26Å; D64-T97 PolarHBondContact OD1-OG1 3.33Å; A66-T97 HydrophobicContact CB-CG2 3.79Å; D90-T97 HydrophobicContact CB-CG2 3.86Å; D95-T97 VanDerWaalsContact C-N 3.31Å; D95-T97 PolarHBondContact O-N 2.95Å; T97-V100 PolarHBondContact O-N 3.4Å; T97-V101 WeakPolarHBondContact O-CG2 3.34Å; T97-V101 PolarHBondContact O-N 3.14Å
98T92.5Very high92Very high13 Ų1319.1 Ų19.18%0.0811%0.111CC..Hα-helixtrans-60.8-44.3174.9-42.70000111.6I39 S42 L43 G65 G96 V100 V101 V102I39-T98 HydrophobicContact CG2-CG2 3.46Å; I39-T98 VanDerWaalsContact CG2-CG2 3.46Å; S42-T98 WeakPolarHBondContact OG-CG2 3.34Å; L43-T98 HydrophobicContact CB-CG2 4.08Å; L43-T98 HydrophobicContact CD1-CG2 3.84Å; G65-T98 PolarHBondContact N-OG1 3.18Å; G96-T98 VanDerWaalsContact C-N 3.3Å; G96-T98 PolarHBondContact O-N 3.36Å; T98-V100 PolarHBondContact O-N 3.32Å; T98-V101 PolarHBondContact O-N 3.18Å; T98-V102 WeakPolarHBondContact O-CG2 3.32Å; T98-V102 PolarHBondContact O-N 3.44Å
99T93.2Very high92Very high28 Ų2818.7 Ų18.717%0.17210%0.104CC..Hα-helixtrans-61.6-43.1-178.3-480000111.7L43 G96 V101 V102 L103 I472L43-T99 WeakPolarHBondContact CD1-OG1 3.35Å; G96-T99 WeakPolarHBondContact O-CA 3.42Å; G96-T99 VanDerWaalsContact O-CB 3.32Å; G96-T99 WeakPolarHBondContact O-CB 3.15Å; G96-T99 PolarHBondContact O-N 3.02Å; T99-V101 VanDerWaalsContact C-N 3.33Å; T99-V101 PolarHBondContact O-N 3.48Å; T99-V102 PolarHBondContact O-N 3.39Å; T99-L103 HydrophobicContact CG2-CD1 4.14Å; T99-L103 HydrophobicContact CG2-CG 4.43Å; T99-L103 WeakPolarHBondContact O-CB 3.45Å; T99-L103 VanDerWaalsContact O-CG 3.31Å; T99-L103 WeakPolarHBondContact O-CG 3.27Å; T99-L103 PolarHBondContact O-N 3Å; T99-I472 HydrophobicContact CG2-CD1 3.68Å; T99-I472 HydrophobicContact CG2-CG1 4.02Å; T99-I472 HydrophobicContact CG2-CG2 4.47Å
100V94.8Very high91.9Very high0 Ų019.1 Ų19.10%011%0.107CC..Hα-helixtrans-64.3-41.3-178.9-164.10000111.1L85 Q89 G96 T97 T98 L103 A104 A529 L532 A533L85-V100 HydrophobicContact CD1-CG1 3.84Å; L85-V100 HydrophobicContact CD2-CB 3.64Å; L85-V100 HydrophobicContact CD2-CG1 3.34Å; L85-V100 HydrophobicContact CG-CB 4.44Å; L85-V100 HydrophobicContact CG-CG1 3.64Å; Q89-V100 HydrophobicContact CB-CG2 3.71Å; Q89-V100 VanDerWaalsContact CD-CG2 3.45Å; Q89-V100 HydrophobicContact CG-CG2 3.41Å; Q89-V100 VanDerWaalsContact CG-CG2 3.41Å; G96-V100 WeakPolarHBondContact O-CG2 3.25Å; G96-V100 PolarHBondContact O-N 3.28Å; T97-V100 PolarHBondContact O-N 3.4Å; T98-V100 PolarHBondContact O-N 3.32Å; V100-L103 PolarHBondContact O-N 3.31Å; V100-A104 WeakPolarHBondContact O-CB 3.29Å; V100-A104 PolarHBondContact O-N 2.94Å; V100-A529 HydrophobicContact CG2-CB 3.62Å; V100-L532 HydrophobicContact CG1-CB 4.14Å; V100-A533 HydrophobicContact CG1-CB 4.13Å
101V94.9Very high92Very high0 Ų017.2 Ų17.20%010%0.097CC..Hα-helixtrans-64.8-46.5178.8178.50000110.2V36 I39 L69 L82 L85 A86 T97 T98 T99 L103 A104 G105V36-V101 HydrophobicContact CG2-CG1 3.86Å; V36-V101 WeakPolarHBondContact CG2-O 3.37Å; I39-V101 HydrophobicContact CD1-CG1 4.02Å; L69-V101 HydrophobicContact CD1-CG1 4.3Å; L69-V101 HydrophobicContact CD1-CG2 3.64Å; L82-V101 HydrophobicContact CB-CG1 4.49Å; L82-V101 HydrophobicContact CD1-CG1 4.4Å; L85-V101 HydrophobicContact CD2-CG2 3.77Å; A86-V101 HydrophobicContact CB-CG2 3.85Å; T97-V101 WeakPolarHBondContact O-CG2 3.34Å; T97-V101 PolarHBondContact O-N 3.14Å; T98-V101 PolarHBondContact O-N 3.18Å; T99-V101 VanDerWaalsContact C-N 3.33Å; T99-V101 PolarHBondContact O-N 3.48Å; V101-L103 PolarHBondContact O-N 3.35Å; V101-A104 PolarHBondContact O-N 3.16Å; V101-G105 PolarHBondContact O-N 2.91Å
102V95Very high92.1Very high1 Ų113.3 Ų13.31%0.0068%0.076CC..Hα-helixtrans-61.5-43.2178176.10000111.8V36 T98 T99 G105 Q106 I471 I472V36-V102 HydrophobicContact CG1-CB 4.41Å; V36-V102 HydrophobicContact CG1-CG2 4.29Å; T98-V102 WeakPolarHBondContact O-CG2 3.32Å; T98-V102 PolarHBondContact O-N 3.44Å; T99-V102 PolarHBondContact O-N 3.39Å; V102-G105 PolarHBondContact O-N 2.89Å; V102-Q106 PolarHBondContact O-N 3.41Å; V102-I471 HydrophobicContact CG1-CG1 4.02Å; V102-I471 HydrophobicContact CG1-CG2 3.99Å; V102-I472 HydrophobicContact CB-CD1 4.14Å; V102-I472 HydrophobicContact CG1-CD1 3.85Å
103L95Very high92.4Very high4 Ų414.6 Ų14.62%0.0218%0.081CC..Hα-helixtrans-61.7-46.1174.8-74.7176.1000112T99 V100 V101 G105 Q106 L107 L469 I471 I472 A529 A533T99-L103 HydrophobicContact CG2-CD1 4.14Å; T99-L103 HydrophobicContact CG2-CG 4.43Å; T99-L103 WeakPolarHBondContact O-CB 3.45Å; T99-L103 VanDerWaalsContact O-CG 3.31Å; T99-L103 WeakPolarHBondContact O-CG 3.27Å; T99-L103 PolarHBondContact O-N 3Å; V100-L103 PolarHBondContact O-N 3.31Å; V101-L103 PolarHBondContact O-N 3.35Å; L103-G105 VanDerWaalsContact C-N 3.34Å; L103-G105 PolarHBondContact O-N 3.15Å; L103-Q106 PolarHBondContact O-N 3.08Å; L103-L107 WeakPolarHBondContact O-CB 3.49Å; L103-L107 VanDerWaalsContact O-CG 3.28Å; L103-L107 WeakPolarHBondContact O-CG 3.3Å; L103-L107 PolarHBondContact O-N 2.88Å; L103-L469 HydrophobicContact CD2-CD2 4Å; L103-I471 HydrophobicContact CD2-CG2 4.21Å; L103-I472 HydrophobicContact CD2-CD1 4.07Å; L103-I472 HydrophobicContact CD2-CG1 3.61Å; L103-I472 HydrophobicContact CG-CD1 4.02Å; L103-I472 HydrophobicContact CG-CG1 4Å; L103-A529 HydrophobicContact CD1-CB 4.36Å; L103-A533 HydrophobicContact CB-CB 4.12Å
104A95Very high92.6Very high0 Ų014.8 Ų14.80%08%0.082CC..Hα-helixtrans-61.6-42.3178.500000111.9L82 L85 V100 V101 L107 L108 A533 V537L82-A104 HydrophobicContact CD2-CB 3.87Å; L85-A104 HydrophobicContact CD1-CB 4.05Å; V100-A104 WeakPolarHBondContact O-CB 3.29Å; V100-A104 PolarHBondContact O-N 2.94Å; V101-A104 PolarHBondContact O-N 3.16Å; A104-L107 PolarHBondContact O-N 3.5Å; A104-L108 WeakPolarHBondContact O-CG 3.29Å; A104-L108 PolarHBondContact O-N 2.78Å; A104-A533 HydrophobicContact CB-CB 4.16Å; A104-V537 HydrophobicContact CB-CG2 4.46Å
105G94.3Very high93Very high2 Ų216.7 Ų16.72%0.0219%0.091CC..Hα-helixtrans-60.1-45.6175.600000113.5V101 V102 L103 L108 D109V101-G105 PolarHBondContact O-N 2.91Å; V102-G105 PolarHBondContact O-N 2.89Å; L103-G105 VanDerWaalsContact C-N 3.34Å; L103-G105 PolarHBondContact O-N 3.15Å; G105-L108 WeakPolarHBondContact O-CB 3.48Å; G105-L108 PolarHBondContact O-N 3.46Å; G105-D109 PolarHBondContact O-N 3.25Å
106Q94.7Very high93.2Very high45 Ų4523 Ų2321%0.2112%0.119CC..Hα-helixtrans-70.1-36.5179.1-170.7686.600112.4V102 L103 L108 D109 A110 A468 I471V102-Q106 PolarHBondContact O-N 3.41Å; L103-Q106 PolarHBondContact O-N 3.08Å; Q106-L108 VanDerWaalsContact C-N 3.29Å; Q106-L108 PolarHBondContact O-N 3.42Å; Q106-D109 PolarHBondContact O-N 2.67Å; Q106-A110 WeakPolarHBondContact O-CB 3.46Å; Q106-A110 PolarHBondContact O-N 3.1Å; Q106-A468 HydrophobicContact CB-CB 4.37Å; Q106-A468 HydrophobicContact CG-CB 3.8Å; Q106-A468 WeakPolarHBondContact CG-O 3.36Å; Q106-I471 HydrophobicContact CB-CB 4.09Å; Q106-I471 HydrophobicContact CB-CG1 4.25Å; Q106-I471 HydrophobicContact CB-CG2 3.81Å; Q106-I471 HydrophobicContact CG-CB 3.83Å; Q106-I471 HydrophobicContact CG-CG1 4.21Å; Q106-I471 HydrophobicContact CG-CG2 4.02Å
107L95Very high93.3Very high4 Ų429.7 Ų29.72%0.02115%0.146CC..Hα-helixtrans-63.4-36173.3-74.8172.2000111.8L103 A104 A110 A111 F128 F465 A468 A533 V537L103-L107 WeakPolarHBondContact O-CB 3.49Å; L103-L107 VanDerWaalsContact O-CG 3.28Å; L103-L107 WeakPolarHBondContact O-CG 3.3Å; L103-L107 PolarHBondContact O-N 2.88Å; A104-L107 PolarHBondContact O-N 3.5Å; L107-A110 PolarHBondContact O-N 2.86Å; L107-A111 WeakPolarHBondContact O-CB 3.09Å; L107-A111 PolarHBondContact O-N 3.49Å; L107-F128 HydrophobicContact CD2-CE2 4.5Å; L107-F465 HydrophobicContact CD1-CE2 3.95Å; L107-F465 HydrophobicContact CD1-CZ 4.48Å; L107-F465 HydrophobicContact CD2-CD2 3.37Å; L107-F465 HydrophobicContact CD2-CE2 3.61Å; L107-F465 HydrophobicContact CD2-CG 3.97Å; L107-F465 HydrophobicContact CD2-CZ 4.39Å; L107-F465 HydrophobicContact CG-CE2 4.47Å; L107-A468 HydrophobicContact CD2-CB 3.62Å; L107-A468 HydrophobicContact CG-CB 4.13Å; L107-A533 HydrophobicContact CD1-CB 4.13Å; L107-V537 HydrophobicContact CB-CG1 4.37Å; L107-V537 HydrophobicContact CB-CG2 3.57Å; L107-V537 HydrophobicContact CD1-CG2 4.15Å
108L94.1Very high93Very high0 Ų032.6 Ų32.60%018%0.177CC..Hα-helixtrans-66.8-40.9172.6-72.6170.7000112.3I29 A32 A104 G105 Q106 A111 G112 V537 I540I29-L108 HydrophobicContact CG1-CB 4.25Å; I29-L108 HydrophobicContact CG1-CD2 4.31Å; I29-L108 HydrophobicContact CG2-CB 4.23Å; A32-L108 HydrophobicContact CB-CD1 3.47Å; A32-L108 VanDerWaalsContact CB-CD1 3.47Å; A104-L108 WeakPolarHBondContact O-CG 3.29Å; A104-L108 PolarHBondContact O-N 2.78Å; G105-L108 WeakPolarHBondContact O-CB 3.48Å; G105-L108 PolarHBondContact O-N 3.46Å; Q106-L108 VanDerWaalsContact C-N 3.29Å; Q106-L108 PolarHBondContact O-N 3.42Å; L108-A111 WeakPolarHBondContact O-CB 3.42Å; L108-A111 PolarHBondContact O-N 3.28Å; L108-G112 PolarHBondContact O-N 3.4Å; L108-V537 HydrophobicContact CD2-CB 4.47Å; L108-V537 HydrophobicContact CD2-CG1 4.04Å; L108-V537 HydrophobicContact CD2-CG2 4.36Å; L108-V537 HydrophobicContact CG-CG2 4.15Å; L108-I540 HydrophobicContact CD1-CD1 3.86Å; L108-I540 HydrophobicContact CD1-CG2 4.4Å; L108-I540 HydrophobicContact CD2-CB 4.04Å; L108-I540 HydrophobicContact CD2-CD1 4.41Å; L108-I540 HydrophobicContact CD2-CG2 3.7Å
109D93.8Very high92.8Very high29 Ų2933.4 Ų33.416%0.15518%0.181CC..Hα-helixtrans-62.9-43174.4-169.775.1000111.4K33 G105 Q106 G112 K113K33-D109 IonicContact NZ-OD1 3.41Å; K33-D109 PolarHBondContact NZ-OD1 2.94Å; G105-D109 PolarHBondContact O-N 3.25Å; Q106-D109 PolarHBondContact O-N 2.67Å; D109-G112 PolarHBondContact O-N 3.18Å; D109-K113 PolarHBondContact O-N 3.35Å; D109-K113 VanDerWaalsContact O-N 3.16Å; D109-K113 VanDerWaalsContact OD2-CE 3.32Å; D109-K113 WeakPolarHBondContact OD2-CE 3.16Å; D109-K113 IonicContact OD2-NZ 3.5Å; D109-K113 PolarHBondContact OD2-NZ 3.01Å
110A93Very high92.7Very high8 Ų837.3 Ų37.37%0.06620%0.197CC..Hα-helixtrans-63.1-41.6174.500000111.8Q106 L107 G112 K113 L114 A464 A468Q106-A110 WeakPolarHBondContact O-CB 3.46Å; Q106-A110 PolarHBondContact O-N 3.1Å; L107-A110 PolarHBondContact O-N 2.86Å; A110-G112 VanDerWaalsContact C-N 3.33Å; A110-G112 PolarHBondContact O-N 3.31Å; A110-K113 PolarHBondContact O-N 3.35Å; A110-L114 WeakPolarHBondContact O-CG 3.18Å; A110-L114 PolarHBondContact O-N 2.81Å; A110-A464 HydrophobicContact CB-CB 4.31Å; A110-A468 HydrophobicContact CB-CB 4.31Å
111A93.2Very high92.5Very high0 Ų037.8 Ų37.80%020%0.2CC..Hα-helixtrans-62.1-40.1172.800000112L107 L108 K113 L114 L115 I124 F128 L541L107-A111 WeakPolarHBondContact O-CB 3.09Å; L107-A111 PolarHBondContact O-N 3.49Å; L108-A111 WeakPolarHBondContact O-CB 3.42Å; L108-A111 PolarHBondContact O-N 3.28Å; A111-K113 VanDerWaalsContact C-N 3.34Å; A111-K113 PolarHBondContact O-N 2.9Å; A111-L114 WeakPolarHBondContact O-CB 3.32Å; A111-L114 PolarHBondContact O-N 3.16Å; A111-L114 VanDerWaalsContact O-N 3.1Å; A111-L115 VanDerWaalsContact O-CG 3.31Å; A111-L115 WeakPolarHBondContact O-CG 3.28Å; A111-L115 PolarHBondContact O-N 3.27Å; A111-I124 HydrophobicContact CB-CG2 4.06Å; A111-F128 HydrophobicContact CB-CE2 3.9Å; A111-F128 HydrophobicContact CB-CZ 4.35Å; A111-L541 HydrophobicContact CB-CD1 3.93Å; A111-L541 HydrophobicContact CB-CD2 3.83Å; A111-L541 HydrophobicContact CB-CG 4.42Å
112G92.2Very high92.4Very high15 Ų1540.6 Ų40.616%0.15522%0.217CC..Hα-helixtrans-54.7-47.817500000112.2L108 D109 A110 L114 L115 E116L108-G112 PolarHBondContact O-N 3.4Å; D109-G112 PolarHBondContact O-N 3.18Å; A110-G112 VanDerWaalsContact C-N 3.33Å; A110-G112 PolarHBondContact O-N 3.31Å; G112-L114 VanDerWaalsContact C-N 3.3Å; G112-L114 PolarHBondContact O-N 3.21Å; G112-L115 WeakPolarHBondContact O-CB 3.46Å; G112-L115 PolarHBondContact O-N 2.89Å; G112-E116 WeakPolarHBondContact O-CG 3.34Å; G112-E116 PolarHBondContact O-N 3.26Å
113K92.4Very high92.2Very high108 Ų10843.4 Ų43.447%0.4723%0.234SC..Hα-helixtrans-62.6-34.1176.1-66.3168.9-172.4153.60112.9D109 A110 A111 K117D109-K113 PolarHBondContact O-N 3.35Å; D109-K113 VanDerWaalsContact O-N 3.16Å; D109-K113 VanDerWaalsContact OD2-CE 3.32Å; D109-K113 WeakPolarHBondContact OD2-CE 3.16Å; D109-K113 IonicContact OD2-NZ 3.5Å; D109-K113 PolarHBondContact OD2-NZ 3.01Å; A110-K113 PolarHBondContact O-N 3.35Å; A111-K113 VanDerWaalsContact C-N 3.34Å; A111-K113 PolarHBondContact O-N 2.9Å; K113-K117 WeakPolarHBondContact O-CG 3.39Å; K113-K117 PolarHBondContact O-N 3.38Å
114L92.3Very high92.1Very high4 Ų443.2 Ų43.22%0.02123%0.233CC..Hα-helixtrans-74.3-35.8175.9-68.2-178.6000112.2A110 A111 G112 E116 K117 L119 I124 F128 A464A110-L114 WeakPolarHBondContact O-CG 3.18Å; A110-L114 PolarHBondContact O-N 2.81Å; A111-L114 WeakPolarHBondContact O-CB 3.32Å; A111-L114 PolarHBondContact O-N 3.16Å; A111-L114 VanDerWaalsContact O-N 3.1Å; G112-L114 VanDerWaalsContact C-N 3.3Å; G112-L114 PolarHBondContact O-N 3.21Å; L114-E116 VanDerWaalsContact C-N 3.35Å; L114-K117 PolarHBondContact O-N 3.04Å; L114-L119 HydrophobicContact CB-CD1 4.06Å; L114-L119 HydrophobicContact CD2-CD1 3.93Å; L114-L119 HydrophobicContact CG-CD1 4.4Å; L114-L119 WeakPolarHBondContact O-CB 3.46Å; L114-L119 PolarHBondContact O-N 3.42Å; L114-I124 HydrophobicContact CB-CD1 3.61Å; L114-I124 HydrophobicContact CB-CG1 4.07Å; L114-I124 HydrophobicContact CD1-CG1 4.25Å; L114-I124 HydrophobicContact CD1-CG2 4.02Å; L114-F128 HydrophobicContact CD1-CE1 4.05Å; L114-F128 HydrophobicContact CD1-CZ 4.04Å; L114-A464 HydrophobicContact CD1-CB 3.82Å; L114-A464 HydrophobicContact CD2-CB 4.28Å; L114-A464 HydrophobicContact CG-CB 4.18Å
115L91.3Very high92Very high41 Ų4143.3 Ų43.322%0.21523%0.234CC..Hα-helixtrans-64.8-38.7174.4-71.4171.1000111.4I29 A111 G112 K117 G118 P121 I124 L541I29-L115 HydrophobicContact CD1-CD1 4.08Å; A111-L115 VanDerWaalsContact O-CG 3.31Å; A111-L115 WeakPolarHBondContact O-CG 3.28Å; A111-L115 PolarHBondContact O-N 3.27Å; G112-L115 WeakPolarHBondContact O-CB 3.46Å; G112-L115 PolarHBondContact O-N 2.89Å; L115-K117 VanDerWaalsContact C-N 3.29Å; L115-K117 PolarHBondContact O-N 2.87Å; L115-G118 PolarHBondContact O-N 3.01Å; L115-P121 HydrophobicContact CD2-CB 3.98Å; L115-P121 HydrophobicContact CD2-CG 3.73Å; L115-I124 HydrophobicContact CD2-CD1 3.71Å; L115-I124 HydrophobicContact CG-CD1 3.83Å; L115-L541 HydrophobicContact CD1-CD2 4.17Å
116E90.3Very high91.9Very high169 Ų16946.3 Ų46.379%0.7925%0.249SC*.Hα-helixtrans-62.5-35174.3-73.6176.8179.700112.5G112 L114 G118G112-E116 WeakPolarHBondContact O-CG 3.34Å; G112-E116 PolarHBondContact O-N 3.26Å; L114-E116 VanDerWaalsContact C-N 3.35Å; E116-G118 PolarHBondContact O-N 3.18Å
117K89.3Confident91.7Very high148 Ų14844.3 Ų44.364%0.64324%0.241SC*.THydrogen-bonded Turntrans-71.3-1.6173-67.8176.9-176.9-178.80113.8K113 L114 L115K113-K117 WeakPolarHBondContact O-CG 3.39Å; K113-K117 PolarHBondContact O-N 3.38Å; L114-K117 PolarHBondContact O-N 3.04Å; L115-K117 VanDerWaalsContact C-N 3.29Å; L115-K117 PolarHBondContact O-N 2.87Å
118G86.4Confident91.7Very high65 Ų6544.1 Ų44.167%0.6724%0.24SC*.THydrogen-bonded Turntrans87.712.5176.700000115.1L115 E116L115-G118 PolarHBondContact O-N 3.01Å; E116-G118 PolarHBondContact O-N 3.18Å
119L89.5Confident91.6Very high31 Ų3145.6 Ų45.616%0.16225%0.248CC..  trans-72.9140175.8-66.7176.8000111.4L114 I124 I457L114-L119 HydrophobicContact CB-CD1 4.06Å; L114-L119 HydrophobicContact CD2-CD1 3.93Å; L114-L119 HydrophobicContact CG-CD1 4.4Å; L114-L119 WeakPolarHBondContact O-CB 3.46Å; L114-L119 PolarHBondContact O-N 3.42Å; L119-I124 HydrophobicContact CB-CD1 3.98Å; L119-I124 HydrophobicContact CB-CG1 3.99Å; L119-I457 HydrophobicContact CD1-CG2 4.1Å; L119-I457 HydrophobicContact CD2-CB 4.45Å; L119-I457 HydrophobicContact CD2-CD1 4.31Å; L119-I457 HydrophobicContact CD2-CG1 4.17Å; L119-I457 HydrophobicContact CD2-CG2 3.51Å; L119-I457 HydrophobicContact CG-CG2 4.39Å
120H90.2Very high91.5Very high110 Ų11047.2 Ų47.251%0.50925%0.254SS..  trans-71.1133.7178.8-168.2-88.3000110.6T122 V123 I124H120-T122 VanDerWaalsContact C-N 3.27Å; H120-T122 PolarHBondContact CE1-OG1 2.72Å; H120-T122 WeakPolarHBondContact ND1-CB 3.45Å; H120-T122 PolarHBondContact ND1-N 3.11Å; H120-T122 PolarHBondContact ND1-OG1 3.01Å; H120-T122 PolarHBondContact O-N 2.84Å; H120-T122 VanDerWaalsContact O-N 3.16Å; H120-V123 HydrophobicContact CB-CG2 4.12Å; H120-V123 WeakPolarHBondContact O-CB 3.44Å; H120-V123 PolarHBondContact O-N 3.43Å; H120-I124 PolarHBondContact O-N 3.49Å
121P91.2Very high91.4Very high9 Ų946.9 Ų46.96%0.05825%0.251CS..Hα-helixtrans-55.6-36.6-175.7-10.26000114.4L115 V123 I124 A125L115-P121 HydrophobicContact CD2-CB 3.98Å; L115-P121 HydrophobicContact CD2-CG 3.73Å; P121-V123 VanDerWaalsContact C-N 3.3Å; P121-V123 PolarHBondContact O-N 3.39Å; P121-I124 PolarHBondContact O-N 2.86Å; P121-A125 WeakPolarHBondContact O-CB 3.5Å; P121-A125 PolarHBondContact O-N 3.1Å
122T91.5Very high91.3Very high60 Ų6047.3 Ų47.337%0.36825%0.254SS..Hα-helixtrans-61-39.6175.9-45.60000112H120 A125 D126H120-T122 VanDerWaalsContact C-N 3.27Å; H120-T122 PolarHBondContact CE1-OG1 2.72Å; H120-T122 WeakPolarHBondContact ND1-CB 3.45Å; H120-T122 PolarHBondContact ND1-N 3.11Å; H120-T122 PolarHBondContact ND1-OG1 3.01Å; H120-T122 PolarHBondContact O-N 2.84Å; H120-T122 VanDerWaalsContact O-N 3.16Å; T122-A125 PolarHBondContact O-N 3.29Å; T122-D126 WeakPolarHBondContact O-CB 3.38Å; T122-D126 PolarHBondContact O-N 3.34Å
123V92.1Very high91.3Very high60 Ų6053 Ų5336%0.36428%0.275SS..Hα-helixtrans-69.1-38.5179.7-177.80000110.5H120 P121 G127 I457H120-V123 HydrophobicContact CB-CG2 4.12Å; H120-V123 WeakPolarHBondContact O-CB 3.44Å; H120-V123 PolarHBondContact O-N 3.43Å; P121-V123 VanDerWaalsContact C-N 3.3Å; P121-V123 PolarHBondContact O-N 3.39Å; V123-G127 PolarHBondContact O-N 3.12Å; V123-I457 HydrophobicContact CG1-CB 4.37Å; V123-I457 HydrophobicContact CG1-CG2 3.57Å
124I92.4Very high91.2Very high0 Ų050.3 Ų50.30%027%0.265CS..Hα-helixtrans-63.7-47.8173.9-60.5167.5000110.2A111 L114 L115 L119 H120 P121 D126 G127 F128 L541A111-I124 HydrophobicContact CB-CG2 4.06Å; L114-I124 HydrophobicContact CB-CD1 3.61Å; L114-I124 HydrophobicContact CB-CG1 4.07Å; L114-I124 HydrophobicContact CD1-CG1 4.25Å; L114-I124 HydrophobicContact CD1-CG2 4.02Å; L115-I124 HydrophobicContact CD2-CD1 3.71Å; L115-I124 HydrophobicContact CG-CD1 3.83Å; L119-I124 HydrophobicContact CB-CD1 3.98Å; L119-I124 HydrophobicContact CB-CG1 3.99Å; H120-I124 PolarHBondContact O-N 3.49Å; P121-I124 PolarHBondContact O-N 2.86Å; I124-D126 PolarHBondContact O-N 3.09Å; I124-G127 PolarHBondContact O-N 3.25Å; I124-F128 HydrophobicContact CG2-CD1 4.44Å; I124-F128 HydrophobicContact CG2-CD2 4.04Å; I124-F128 HydrophobicContact CG2-CE1 4.12Å; I124-F128 HydrophobicContact CG2-CE2 3.71Å; I124-F128 HydrophobicContact CG2-CG 4.41Å; I124-F128 HydrophobicContact CG2-CZ 3.74Å; I124-F128 WeakPolarHBondContact O-CG 3.47Å; I124-F128 PolarHBondContact O-N 3.33Å; I124-L541 HydrophobicContact CB-CD1 4.5Å; I124-L541 HydrophobicContact CG2-CD1 4.01Å
125A92.3Very high90.9Very high1 Ų150.3 Ų50.31%0.00827%0.265CS..Hα-helixtrans-62.9-42.3-178.200000112.6P121 T122 L129 K538 L541P121-A125 WeakPolarHBondContact O-CB 3.5Å; P121-A125 PolarHBondContact O-N 3.1Å; T122-A125 PolarHBondContact O-N 3.29Å; A125-L129 WeakPolarHBondContact O-CB 3.38Å; A125-L129 PolarHBondContact O-N 3.3Å; A125-L129 VanDerWaalsContact O-N 3.13Å; A125-K538 HydrophobicContact CB-CB 4.17Å; A125-K538 HydrophobicContact CB-CG 4.04Å; A125-L541 HydrophobicContact CB-CD1 4.32Å
126D92.1Very high90.8Very high65 Ų6550.3 Ų50.335%0.34827%0.268SS..Hα-helixtrans-71.7-37.4175.9-68.7-28.3000111.4T122 I124 F128 L129 E130 K538T122-D126 WeakPolarHBondContact O-CB 3.38Å; T122-D126 PolarHBondContact O-N 3.34Å; I124-D126 PolarHBondContact O-N 3.09Å; D126-F128 PolarHBondContact O-N 3.3Å; D126-L129 PolarHBondContact O-N 3.33Å; D126-E130 WeakPolarHBondContact O-CG 3.31Å; D126-E130 PolarHBondContact O-N 3.43Å; D126-K538 IonicContact OD1-NZ 2.76Å; D126-K538 PolarHBondContact OD1-NZ 3.38Å
127G91.9Very high90.8Very high3 Ų347.6 Ų47.63%0.03126%0.259CS..Hα-helixtrans-61.1-41.8173.700000113.3V123 I124 E130 A131 Y462V123-G127 PolarHBondContact O-N 3.12Å; I124-G127 PolarHBondContact O-N 3.25Å; G127-E130 PolarHBondContact O-N 2.99Å; G127-A131 PolarHBondContact O-N 3.02Å; G127-Y462 WeakPolarHBondContact O-CE1 3.44Å
128F93.4Very high90.7Very high1 Ų141.9 Ų41.90%0.00424%0.235CC..Hα-helixtrans-68.6-36.3175.5-72.1-6.5000112.9L107 A111 L114 I124 D126 A131 S132 C461 A464 F465 V537L107-F128 HydrophobicContact CD2-CE2 4.5Å; A111-F128 HydrophobicContact CB-CE2 3.9Å; A111-F128 HydrophobicContact CB-CZ 4.35Å; L114-F128 HydrophobicContact CD1-CE1 4.05Å; L114-F128 HydrophobicContact CD1-CZ 4.04Å; I124-F128 HydrophobicContact CG2-CD1 4.44Å; I124-F128 HydrophobicContact CG2-CD2 4.04Å; I124-F128 HydrophobicContact CG2-CE1 4.12Å; I124-F128 HydrophobicContact CG2-CE2 3.71Å; I124-F128 HydrophobicContact CG2-CG 4.41Å; I124-F128 HydrophobicContact CG2-CZ 3.74Å; I124-F128 WeakPolarHBondContact O-CG 3.47Å; I124-F128 PolarHBondContact O-N 3.33Å; D126-F128 PolarHBondContact O-N 3.3Å; F128-A131 PolarHBondContact O-N 2.92Å; F128-S132 PolarHBondContact O-N 3.13Å; F128-C461 HydrophobicContact CD1-CB 4.26Å; F128-C461 HydrophobicContact CE1-CB 4.31Å; F128-C461 WeakPolarHBondContact CE1-O 3.47Å; F128-A464 HydrophobicContact CE1-CB 4.38Å; F128-F465 HydrophobicContact CB-CD2 4.08Å; F128-F465 HydrophobicContact CB-CE2 4.37Å; F128-F465 HydrophobicContact CD1-CB 4.25Å; F128-F465 AromaticContact CD1-CD2 3.95Å; F128-F465 HydrophobicContact CD1-CD2 3.95Å; F128-F465 HydrophobicContact CE1-CB 4.35Å; F128-F465 HydrophobicContact CG-CD2 4.04Å; F128-V537 HydrophobicContact CD2-CG1 3.88Å; F128-V537 HydrophobicContact CE2-CG1 4.17Å
129L92.6Very high90.8Very high31 Ų3138.8 Ų38.816%0.16220%0.203CC..Hα-helixtrans-69.3-36.2175.6-174.964.7000112A125 D126 S132 K133 E535 K538A125-L129 WeakPolarHBondContact O-CB 3.38Å; A125-L129 PolarHBondContact O-N 3.3Å; A125-L129 VanDerWaalsContact O-N 3.13Å; D126-L129 PolarHBondContact O-N 3.33Å; L129-S132 PolarHBondContact O-OG 3.06Å; L129-K133 VanDerWaalsContact O-CG 3.32Å; L129-K133 WeakPolarHBondContact O-CG 3.49Å; L129-K133 PolarHBondContact O-N 3.32Å; L129-E535 HydrophobicContact CD1-CG 4.4Å; L129-K538 HydrophobicContact CD2-CD 4.1Å; L129-K538 VanDerWaalsContact CD2-NZ 3.34Å
130E91.8Very high90.6Very high63 Ų6340.6 Ų40.629%0.29421%0.213SC..Hα-helixtrans-66.5-40.1172.4-72.4-178.9177.700111.7D126 G127 K133 K458 Y462D126-E130 WeakPolarHBondContact O-CG 3.31Å; D126-E130 PolarHBondContact O-N 3.43Å; G127-E130 PolarHBondContact O-N 2.99Å; E130-K133 PolarHBondContact O-N 3.4Å; E130-K458 IonicContact OE1-NZ 3.94Å; E130-K458 PolarHBondContact OE1-NZ 2.85Å; E130-K458 WeakPolarHBondContact OE2-CD 3.19Å; E130-K458 VanDerWaalsContact OE2-CE 3.24Å; E130-K458 WeakPolarHBondContact OE2-CE 3.29Å; E130-K458 IonicContact OE2-NZ 2.93Å; E130-K458 PolarHBondContact OE2-NZ 2.62Å; E130-Y462 HydrophobicContact CB-CE1 4.17Å; E130-Y462 WeakPolarHBondContact CB-OH 3.43Å
131A91.4Very high90.4Very high0 Ų038.7 Ų38.70%022%0.223CC..Hα-helixtrans-62.4-4217500000112.1G127 F128 K133 L134 L447 Y462 F465G127-A131 PolarHBondContact O-N 3.02Å; F128-A131 PolarHBondContact O-N 2.92Å; A131-K133 VanDerWaalsContact C-N 3.3Å; A131-K133 PolarHBondContact O-N 2.85Å; A131-L134 PolarHBondContact O-N 2.97Å; A131-L447 HydrophobicContact CB-CD2 4.37Å; A131-Y462 HydrophobicContact CB-CD1 3.8Å; A131-Y462 HydrophobicContact CB-CE1 3.92Å; A131-Y462 HydrophobicContact CB-CG 4.47Å; A131-F465 HydrophobicContact CB-CB 4.22Å; A131-F465 HydrophobicContact CB-CD1 4.14Å; A131-F465 HydrophobicContact CB-CD2 4.09Å; A131-F465 HydrophobicContact CB-CE2 4.49Å; A131-F465 HydrophobicContact CB-CG 3.89Å
132S91.7Very high90Very high9 Ų939.6 Ų39.66%0.06323%0.227CC..Hα-helixtrans-67.8-28.7178.769.80000113.1F128 L129 L134 A135 P136 S534F128-S132 PolarHBondContact O-N 3.13Å; L129-S132 PolarHBondContact O-OG 3.06Å; S132-L134 VanDerWaalsContact C-N 3.29Å; S132-L134 PolarHBondContact O-N 3.12Å; S132-A135 VanDerWaalsContact O-CB 3.27Å; S132-A135 WeakPolarHBondContact O-CB 3.47Å; S132-A135 PolarHBondContact O-N 3.49Å; S132-P136 VanDerWaalsContact O-CD 3.25Å; S132-P136 WeakPolarHBondContact O-CD 3.2Å; S132-S534 VanDerWaalsContact CB-OG 3.29Å; S132-S534 WeakPolarHBondContact CB-OG 3.18Å; S132-S534 PolarHBondContact OG-OG 3.1Å
133K92.3Very high89.6Confident136 Ų13637.6 Ų37.659%0.59122%0.215SC*.Hα-helixtrans-67.4-23.5173.6-75.2173.8-178.5-178.60114.2L129 E130 A131 P136L129-K133 VanDerWaalsContact O-CG 3.32Å; L129-K133 WeakPolarHBondContact O-CG 3.49Å; L129-K133 PolarHBondContact O-N 3.32Å; E130-K133 PolarHBondContact O-N 3.4Å; A131-K133 VanDerWaalsContact C-N 3.3Å; A131-K133 PolarHBondContact O-N 2.85Å; K133-P136 VanDerWaalsContact O-CD 3.25Å; K133-P136 WeakPolarHBondContact O-CD 3.47Å; K133-P136 WeakPolarHBondContact O-CG 3.27Å
134L89.3Confident89.3Confident51 Ų5140 Ų4027%0.26722%0.221SC..Hα-helixtrans-81-22.9174.8-63.1173000112.4A131 S132 D137 I138 L447 Y462A131-L134 PolarHBondContact O-N 2.97Å; S132-L134 VanDerWaalsContact C-N 3.29Å; S132-L134 PolarHBondContact O-N 3.12Å; L134-D137 PolarHBondContact O-N 3.1Å; L134-I138 HydrophobicContact CB-CD1 4.45Å; L134-I138 WeakPolarHBondContact O-CD1 3.25Å; L134-I138 WeakPolarHBondContact O-CG1 3.2Å; L134-I138 PolarHBondContact O-N 3.04Å; L134-L447 HydrophobicContact CB-CD2 4.32Å; L134-L447 HydrophobicContact CD1-CD2 4.26Å; L134-Y462 HydrophobicContact CD1-CE2 3.89Å
135A86.7Confident89Confident3 Ų345 Ų453%0.02525%0.253CS..Hα-helixtrans-56.5-43179.300000114.9S132 D137 I138 L139 L443 V530S132-A135 VanDerWaalsContact O-CB 3.27Å; S132-A135 WeakPolarHBondContact O-CB 3.47Å; S132-A135 PolarHBondContact O-N 3.49Å; A135-D137 PolarHBondContact O-N 3.18Å; A135-I138 PolarHBondContact O-N 2.74Å; A135-L139 WeakPolarHBondContact O-CB 3.3Å; A135-L139 WeakPolarHBondContact O-CG 3.47Å; A135-L139 PolarHBondContact O-N 3.37Å; A135-L443 HydrophobicContact CB-CD1 4.45Å; A135-L443 HydrophobicContact CB-CD2 3.8Å; A135-V530 HydrophobicContact CB-CG1 3.93Å
136P88.5Confident88.5Confident41 Ų4145.4 Ų45.427%0.26626%0.255SS..Hα-helixtrans-58.2-43.3178.420.6-34000113.9S132 K133 I138 L139 L140 L527S132-P136 VanDerWaalsContact O-CD 3.25Å; S132-P136 WeakPolarHBondContact O-CD 3.2Å; K133-P136 VanDerWaalsContact O-CD 3.25Å; K133-P136 WeakPolarHBondContact O-CD 3.47Å; K133-P136 WeakPolarHBondContact O-CG 3.27Å; P136-I138 VanDerWaalsContact C-N 3.35Å; P136-I138 PolarHBondContact O-N 3.33Å; P136-L139 PolarHBondContact O-N 3.14Å; P136-L140 VanDerWaalsContact O-CB 3.31Å; P136-L140 WeakPolarHBondContact O-CB 3.33Å; P136-L140 WeakPolarHBondContact O-CG 3.48Å; P136-L140 PolarHBondContact O-N 2.87Å; P136-L527 VanDerWaalsContact CA-CD2 3.45Å; P136-L527 HydrophobicContact CB-CD2 3.81Å
137D90Very high87.9Confident113 Ų11348.6 Ų48.660%0.60427%0.272SS*.Hα-helixtrans-67.3-39.5-178-62-25.1000111.1L134 A135 G141L134-D137 PolarHBondContact O-N 3.1Å; A135-D137 PolarHBondContact O-N 3.18Å; D137-G141 PolarHBondContact O-N 3.41Å
138I87.7Confident87.3Confident28 Ų2848.9 Ų48.914%0.14427%0.273CS..Hα-helixtrans-66.4-46.3177-62.2161.4000110.8L134 A135 P136 G141 M142 E442 L443 R446L134-I138 HydrophobicContact CB-CD1 4.45Å; L134-I138 WeakPolarHBondContact O-CD1 3.25Å; L134-I138 WeakPolarHBondContact O-CG1 3.2Å; L134-I138 PolarHBondContact O-N 3.04Å; A135-I138 PolarHBondContact O-N 2.74Å; P136-I138 VanDerWaalsContact C-N 3.35Å; P136-I138 PolarHBondContact O-N 3.33Å; I138-G141 PolarHBondContact O-N 3.14Å; I138-M142 HydrophobicContact CG2-CE 4.37Å; I138-M142 PolarHBondContact O-N 3.27Å; I138-E442 HydrophobicContact CG2-CG 4.29Å; I138-L443 HydrophobicContact CB-CD2 3.74Å; I138-L443 HydrophobicContact CD1-CD2 3.95Å; I138-L443 HydrophobicContact CG1-CD2 4.46Å; I138-L443 HydrophobicContact CG2-CD2 3.72Å; I138-L443 HydrophobicContact CG2-CG 4.43Å; I138-R446 HydrophobicContact CD1-CB 3.73Å; I138-R446 HydrophobicContact CD1-CG 4.49Å; I138-R446 HydrophobicContact CG1-CB 4.22Å; I138-R446 HydrophobicContact CG1-CG 4.5Å; I138-R446 HydrophobicContact CG2-CB 4.24Å; I138-R446 HydrophobicContact CG2-CG 3.9Å
139L88.2Confident86.6Confident0 Ų054.5 Ų54.50%030%0.303CS..Hα-helixtrans-66.2-39.6179.8-73.2174000111.9A135 P136 G141 M142 S143 I433 P439 L443 T526 L527A135-L139 WeakPolarHBondContact O-CB 3.3Å; A135-L139 WeakPolarHBondContact O-CG 3.47Å; A135-L139 PolarHBondContact O-N 3.37Å; P136-L139 PolarHBondContact O-N 3.14Å; L139-G141 VanDerWaalsContact C-N 3.33Å; L139-G141 PolarHBondContact O-N 3.26Å; L139-M142 HydrophobicContact CD2-CE 3.6Å; L139-M142 PolarHBondContact O-N 3.47Å; L139-S143 WeakPolarHBondContact O-CB 3.44Å; L139-S143 PolarHBondContact O-N 3.49Å; L139-S143 VanDerWaalsContact O-N 3.12Å; L139-I433 HydrophobicContact CD2-CD1 4.44Å; L139-P439 HydrophobicContact CD2-CB 3.62Å; L139-L443 HydrophobicContact CD1-CD1 4.11Å; L139-L443 HydrophobicContact CD2-CD1 3.9Å; L139-L443 HydrophobicContact CD2-CG 4.14Å; L139-L443 HydrophobicContact CG-CD1 4.04Å; L139-L443 HydrophobicContact CG-CD2 4.18Å; L139-L443 HydrophobicContact CG-CG 4.3Å; L139-T526 HydrophobicContact CD1-CG2 4.01Å; L139-T526 HydrophobicContact CD2-CG2 4.3Å; L139-L527 HydrophobicContact CB-CD2 4.09Å; L139-L527 HydrophobicContact CD1-CD2 3.43Å; L139-L527 VanDerWaalsContact CD1-CD2 3.43Å; L139-L527 HydrophobicContact CD1-CG 3.8Å; L139-L527 HydrophobicContact CG-CD2 4.35Å
140L85.9Confident86.2Confident68 Ų6856.1 Ų56.136%0.35631%0.312SS..Hα-helixtrans-63.4-40.1174.9-74.7171000111.3P136 M142 S143 F431P136-L140 VanDerWaalsContact O-CB 3.31Å; P136-L140 WeakPolarHBondContact O-CB 3.33Å; P136-L140 WeakPolarHBondContact O-CG 3.48Å; P136-L140 PolarHBondContact O-N 2.87Å; L140-M142 VanDerWaalsContact C-N 3.27Å; L140-M142 PolarHBondContact O-N 3.18Å; L140-S143 WeakPolarHBondContact CA-OG 3.41Å; L140-S143 PolarHBondContact O-N 3.04Å; L140-S143 VanDerWaalsContact O-N 3.09Å; L140-S143 PolarHBondContact O-OG 3.15Å; L140-F431 HydrophobicContact CD2-CD1 4.26Å; L140-F431 HydrophobicContact CD2-CD2 3.58Å; L140-F431 HydrophobicContact CD2-CE1 4.27Å; L140-F431 HydrophobicContact CD2-CE2 3.59Å; L140-F431 HydrophobicContact CD2-CG 3.92Å; L140-F431 HydrophobicContact CD2-CZ 3.95Å
141G84.5Confident85.9Confident71 Ų7155.7 Ų55.773%0.73231%0.313SS*.Hα-helixtrans-64-26.7176.900000114.7D137 I138 L139D137-G141 PolarHBondContact O-N 3.41Å; I138-G141 PolarHBondContact O-N 3.14Å; L139-G141 VanDerWaalsContact C-N 3.33Å; L139-G141 PolarHBondContact O-N 3.26Å
142M83.5Confident85.8Confident28 Ų2860.5 Ų60.514%0.13834%0.339CS..Hα-helixtrans-86.5-18.1172.8-71.7-168.2-75.500114I138 L139 L140 P439 E442I138-M142 HydrophobicContact CG2-CE 4.37Å; I138-M142 PolarHBondContact O-N 3.27Å; L139-M142 HydrophobicContact CD2-CE 3.6Å; L139-M142 PolarHBondContact O-N 3.47Å; L140-M142 VanDerWaalsContact C-N 3.27Å; L140-M142 PolarHBondContact O-N 3.18Å; M142-P439 HydrophobicContact CE-CB 4.25Å; M142-E442 HydrophobicContact CE-CB 3.76Å; M142-E442 HydrophobicContact CE-CG 3.91Å; M142-E442 HydrophobicContact CG-CG 4.1Å; M142-E442 HydrophobicContact SD-CB 3.33Å; M142-E442 WeakPolarHBondContact SD-CB 3.42Å; M142-E442 HydrophobicContact SD-CG 3.34Å; M142-E442 WeakPolarHBondContact SD-CG 3.48Å
143S84Confident85.5Confident17 Ų1762.3 Ų62.312%0.11935%0.348CS..PPolyproline II helixtrans-79.4150.4-167.371.90000112.7L139 L140 F431 L432L139-S143 WeakPolarHBondContact O-CB 3.44Å; L139-S143 PolarHBondContact O-N 3.49Å; L139-S143 VanDerWaalsContact O-N 3.12Å; L140-S143 WeakPolarHBondContact CA-OG 3.41Å; L140-S143 PolarHBondContact O-N 3.04Å; L140-S143 VanDerWaalsContact O-N 3.09Å; L140-S143 PolarHBondContact O-OG 3.15Å; S143-F431 WeakPolarHBondContact OG-CD1 3.42Å; S143-L432 CarbonylContact C-O 3.49Å; S143-L432 WeakPolarHBondContact CA-O 3.25Å; S143-L432 VanDerWaalsContact CB-O 3.3Å; S143-L432 WeakPolarHBondContact CB-O 3.41Å
144K85Confident85.3Confident112 Ų11256 Ų5649%0.48732%0.321SS..EExtended strand (participates in β ladder)trans-103.5130170.1-70.3-178.2-178.5174.90109.8L432 Y515K144-L432 PolarHBondContact N-O 3.01Å; K144-L432 PolarHBondContact O-N 3.03Å; K144-Y515 HydrophobicContact CD-CE1 3.86Å; K144-Y515 HydrophobicContact CD-CE2 4.41Å
145P85.3Confident85.4Confident105 Ų10555.6 Ų55.668%0.68232%0.32SS*.EExtended strand (participates in β ladder)trans-66.7147171.329-33.3000110.5R430P145-R430 VanDerWaalsContact CA-O 3.31Å; P145-R430 WeakPolarHBondContact CA-O 3.38Å
146I82.2Confident85.4Confident9 Ų959.3 Ų59.35%0.04634%0.336CS..  trans-118.6144.9180-43.6163.4000111.5L153 I157 L426 R430 L432I146-L153 HydrophobicContact CG2-CD1 4.34Å; I146-I157 HydrophobicContact CD1-CD1 4.45Å; I146-L426 HydrophobicContact CD1-CD2 3.65Å; I146-R430 PolarHBondContact N-O 3.37Å; I146-R430 VanDerWaalsContact N-O 3.09Å; I146-L432 HydrophobicContact CD1-CB 4.4Å; I146-L432 HydrophobicContact CD1-CD1 3.46Å; I146-L432 VanDerWaalsContact CD1-CD1 3.46Å; I146-L432 HydrophobicContact CD1-CD2 3.3Å; I146-L432 HydrophobicContact CD1-CG 3.11Å; I146-L432 HydrophobicContact CG1-CB 4.34Å; I146-L432 HydrophobicContact CG1-CD1 3.45Å; I146-L432 VanDerWaalsContact CG1-CD1 3.45Å; I146-L432 HydrophobicContact CG1-CD2 4.12Å; I146-L432 HydrophobicContact CG1-CG 3.33Å
147D80.9Confident85.4Confident131 Ų13157.4 Ų57.470%0.70132%0.324SS*.  trans-90119160.7-66.1-35.1000111.2N149 D150D147-N149 PolarHBondContact O-N 2.9Å; D147-D150 PolarHBondContact O-N 3.04Å
148L77.5Confident85.3Confident9 Ų952 Ų525%0.04730%0.295CS..THydrogen-bonded Turntrans-65.4-8.2-177-61.8173.2000114.2D150 F188 L426 F427L148-D150 VanDerWaalsContact C-N 3.33Å; L148-F188 HydrophobicContact CB-CD1 3.82Å; L148-F188 HydrophobicContact CB-CE1 4.12Å; L148-F188 WeakPolarHBondContact O-CE1 3.16Å; L148-L426 HydrophobicContact CD2-CB 4.18Å; L148-F427 HydrophobicContact CD1-CD1 3.78Å; L148-F427 HydrophobicContact CD1-CE1 3.84Å; L148-F427 HydrophobicContact CD1-CG 4.41Å
149N80.5Confident85.4Confident120 Ų12051.7 Ų51.764%0.64230%0.296SS*.THydrogen-bonded Turntrans-78-18.5178.4-67.6-25.3000112.9D147 T151 R183D147-N149 PolarHBondContact O-N 2.9Å; N149-T151 PolarHBondContact O-N 3.06Å; N149-R183 VanDerWaalsContact C-NH2 3.31Å; N149-R183 PolarHBondContact O-NH2 3.24Å
150D83.9Confident85.3Confident64 Ų6453.3 Ų53.334%0.34231%0.306SS..  trans-73.5110.4180-166.8-29.7000110.4D147 L148 D152 L153 L154D147-D150 PolarHBondContact O-N 3.04Å; L148-D150 VanDerWaalsContact C-N 3.33Å; D150-D152 VanDerWaalsContact C-N 3.33Å; D150-D152 PolarHBondContact OD1-N 3.06Å; D150-L153 HydrophobicContact CB-CB 4.19Å; D150-L153 HydrophobicContact CB-CD1 4.01Å; D150-L153 HydrophobicContact CB-CG 4.23Å; D150-L153 PolarHBondContact OD1-N 2.91Å; D150-L153 WeakPolarHBondContact OD2-CD1 3.43Å; D150-L153 VanDerWaalsContact OD2-CG 3.28Å; D150-L153 WeakPolarHBondContact OD2-CG 3.3Å; D150-L154 VanDerWaalsContact O-CG 3.29Å; D150-L154 WeakPolarHBondContact O-CG 3.46Å
151T85.6Confident85.2Confident54 Ų5450.4 Ų50.433%0.33129%0.291SS..Hα-helixtrans-63.7-42.9177.836.10000111.3N149 L154 T155N149-T151 PolarHBondContact O-N 3.06Å; T151-L154 PolarHBondContact O-N 3.02Å; T151-T155 PolarHBondContact O-N 3.36Å; T151-T155 PolarHBondContact O-OG1 3.45Å
152D87.7Confident85.3Confident101 Ų10147 Ų4754%0.5426%0.256SS..Hα-helixtrans-76.6-37.3-161.7-61.3-5.6000109.1D150 T155 K156D150-D152 VanDerWaalsContact C-N 3.33Å; D150-D152 PolarHBondContact OD1-N 3.06Å; D152-T155 PolarHBondContact O-N 3.42Å; D152-K156 WeakPolarHBondContact O-CB 3.31Å; D152-K156 WeakPolarHBondContact O-CD 3.17Å; D152-K156 WeakPolarHBondContact O-CG 3.4Å; D152-K156 PolarHBondContact O-N 3.4Å
153L86.7Confident85.3Confident48 Ų4847.8 Ų47.825%0.25126%0.261SS..Hα-helixtrans-62.1-45.5170.4-69.7179000112I146 D150 T155 K156 I157I146-L153 HydrophobicContact CG2-CD1 4.34Å; D150-L153 HydrophobicContact CB-CB 4.19Å; D150-L153 HydrophobicContact CB-CD1 4.01Å; D150-L153 HydrophobicContact CB-CG 4.23Å; D150-L153 PolarHBondContact OD1-N 2.91Å; D150-L153 WeakPolarHBondContact OD2-CD1 3.43Å; D150-L153 VanDerWaalsContact OD2-CG 3.28Å; D150-L153 WeakPolarHBondContact OD2-CG 3.3Å; L153-T155 VanDerWaalsContact C-N 3.33Å; L153-T155 PolarHBondContact O-N 3.06Å; L153-K156 PolarHBondContact O-N 2.93Å; L153-I157 WeakPolarHBondContact O-CD1 3.19Å; L153-I157 VanDerWaalsContact O-CG1 3.23Å; L153-I157 WeakPolarHBondContact O-CG1 2.99Å; L153-I157 PolarHBondContact O-N 3.25Å
154L88.3Confident85Confident4 Ų448.5 Ų48.52%0.02127%0.266CS..Hα-helixtrans-63.3-40.2178-64.3176.2000111.7D150 T151 I157 A158 V179 L423 L426D150-L154 VanDerWaalsContact O-CG 3.29Å; D150-L154 WeakPolarHBondContact O-CG 3.46Å; T151-L154 PolarHBondContact O-N 3.02Å; L154-I157 PolarHBondContact O-N 3.45Å; L154-A158 WeakPolarHBondContact O-CB 3.46Å; L154-A158 PolarHBondContact O-N 3.46Å; L154-V179 HydrophobicContact CB-CG1 4.01Å; L154-V179 HydrophobicContact CB-CG2 3.89Å; L154-V179 HydrophobicContact CD1-CG1 4.3Å; L154-L423 HydrophobicContact CB-CD2 4.21Å; L154-L423 HydrophobicContact CD2-CD2 4.06Å; L154-L426 HydrophobicContact CD2-CD1 3.53Å
155T89.8Confident84.8Confident41 Ų4143.9 Ų43.925%0.25225%0.246SC..Hα-helixtrans-64.8-39.8176.2-57.90000111.4T151 D152 L153 A158 A159 A175T151-T155 PolarHBondContact O-N 3.36Å; T151-T155 PolarHBondContact O-OG1 3.45Å; D152-T155 PolarHBondContact O-N 3.42Å; L153-T155 VanDerWaalsContact C-N 3.33Å; L153-T155 PolarHBondContact O-N 3.06Å; T155-A158 PolarHBondContact O-N 3.36Å; T155-A159 VanDerWaalsContact O-CB 3.25Å; T155-A159 WeakPolarHBondContact O-CB 3.32Å; T155-A159 PolarHBondContact O-N 3.45Å; T155-A175 HydrophobicContact CG2-CB 3.9Å
156K87.4Confident84.5Confident81 Ų8141.4 Ų41.435%0.35223%0.229SC..Hα-helixtrans-64.3-40.3175.4-73.2166.7179.8-170.10112.5D152 L153 A159 T160 N518D152-K156 WeakPolarHBondContact O-CB 3.31Å; D152-K156 WeakPolarHBondContact O-CD 3.17Å; D152-K156 WeakPolarHBondContact O-CG 3.4Å; D152-K156 PolarHBondContact O-N 3.4Å; L153-K156 PolarHBondContact O-N 2.93Å; K156-A159 PolarHBondContact O-N 3.34Å; K156-T160 PolarHBondContact O-N 2.99Å; K156-T160 PolarHBondContact O-OG1 2.91Å; K156-N518 HydrophobicContact CD-CB 4.11Å; K156-N518 WeakPolarHBondContact CD-OD1 3.34Å; K156-N518 WeakPolarHBondContact CE-OD1 3.27Å; K156-N518 HydrophobicContact CG-CB 4.41Å; K156-N518 PolarHBondContact NZ-OD1 3.12Å
157I88.4Confident84.5Confident2 Ų241 Ų411%0.0123%0.227CC..Hα-helixtrans-65.4-48.7177.5-64.7157.8000110.1I146 L153 L154 A159 T160 S161 V422 L426 L432 P522I146-I157 HydrophobicContact CD1-CD1 4.45Å; L153-I157 WeakPolarHBondContact O-CD1 3.19Å; L153-I157 VanDerWaalsContact O-CG1 3.23Å; L153-I157 WeakPolarHBondContact O-CG1 2.99Å; L153-I157 PolarHBondContact O-N 3.25Å; L154-I157 PolarHBondContact O-N 3.45Å; I157-A159 VanDerWaalsContact C-N 3.31Å; I157-A159 PolarHBondContact O-N 3.21Å; I157-T160 WeakPolarHBondContact O-CB 3.48Å; I157-T160 PolarHBondContact O-N 3.16Å; I157-T160 VanDerWaalsContact O-N 3.12Å; I157-S161 PolarHBondContact O-N 2.81Å; I157-V422 HydrophobicContact CG2-CG1 3.5Å; I157-L426 HydrophobicContact CD1-CD1 3.62Å; I157-L426 HydrophobicContact CD1-CD2 4.35Å; I157-L426 HydrophobicContact CG2-CD1 4.24Å; I157-L432 HydrophobicContact CD1-CD1 4.07Å; I157-L432 HydrophobicContact CD1-CD2 3.62Å; I157-L432 HydrophobicContact CD1-CG 4.47Å; I157-L432 HydrophobicContact CG1-CD2 4.19Å; I157-P522 HydrophobicContact CG2-CG 4.39Å
158A88.9Confident84.5Confident0 Ų036.7 Ų36.70%021%0.207CC..Hα-helixtrans-62.2-36.7175.700000112.5L154 T155 T160 S161 L162 A175 V179 L423L154-A158 WeakPolarHBondContact O-CB 3.46Å; L154-A158 PolarHBondContact O-N 3.46Å; T155-A158 PolarHBondContact O-N 3.36Å; A158-T160 VanDerWaalsContact C-N 3.32Å; A158-T160 PolarHBondContact O-N 2.89Å; A158-S161 PolarHBondContact O-OG 3.46Å; A158-L162 VanDerWaalsContact O-CG 3.27Å; A158-L162 WeakPolarHBondContact O-CG 3.49Å; A158-L162 PolarHBondContact O-N 3.3Å; A158-A175 HydrophobicContact CB-CB 4.09Å; A158-V179 HydrophobicContact CB-CG2 4.36Å; A158-L423 HydrophobicContact CB-CD2 4.49Å
159A88.7Confident84.8Confident21 Ų2143.2 Ų43.217%0.17424%0.238CC..Hα-helixtrans-65.8-36.7174.800000111.8T155 K156 I157 L162 N163 A175T155-A159 VanDerWaalsContact O-CB 3.25Å; T155-A159 WeakPolarHBondContact O-CB 3.32Å; T155-A159 PolarHBondContact O-N 3.45Å; K156-A159 PolarHBondContact O-N 3.34Å; I157-A159 VanDerWaalsContact C-N 3.31Å; I157-A159 PolarHBondContact O-N 3.21Å; A159-L162 PolarHBondContact O-N 3.29Å; A159-N163 PolarHBondContact O-N 2.93Å; A159-N163 VanDerWaalsContact O-N 3.1Å; A159-N163 PolarHBondContact O-ND2 2.93Å; A159-A175 HydrophobicContact CB-CB 4.12Å
160T86.2Confident85.1Confident34 Ų3440.1 Ų40.121%0.20922%0.217CC..Hα-helixtrans-62.6-43.5179-590000111.7K156 I157 A158 L162 N163 N518 V519K156-T160 PolarHBondContact O-N 2.99Å; K156-T160 PolarHBondContact O-OG1 2.91Å; I157-T160 WeakPolarHBondContact O-CB 3.48Å; I157-T160 PolarHBondContact O-N 3.16Å; I157-T160 VanDerWaalsContact O-N 3.12Å; A158-T160 VanDerWaalsContact C-N 3.32Å; A158-T160 PolarHBondContact O-N 2.89Å; T160-L162 VanDerWaalsContact C-N 3.33Å; T160-L162 PolarHBondContact O-N 3.48Å; T160-N163 PolarHBondContact O-N 2.94Å; T160-N518 PolarHBondContact OG1-O 3.41Å; T160-V519 HydrophobicContact CG2-CG1 3.97Å
161S85.2Confident85.1Confident6 Ų637.8 Ų37.84%0.04221%0.206CC..Hα-helixtrans-71-25.6178.160.40000113.9I157 A158 K165I157-S161 PolarHBondContact O-N 2.81Å; A158-S161 PolarHBondContact O-OG 3.46Å; S161-K165 WeakPolarHBondContact O-CE 3.34Å
162L85.5Confident85.1Confident0 Ų041.3 Ų41.30%022%0.219CC..Hα-helixtrans-83.6-20.9177.5-67.8172.7000113.1A158 A159 T160 S164 K165 V167 L174 A175 S415 A419A158-L162 VanDerWaalsContact O-CG 3.27Å; A158-L162 WeakPolarHBondContact O-CG 3.49Å; A158-L162 PolarHBondContact O-N 3.3Å; A159-L162 PolarHBondContact O-N 3.29Å; T160-L162 VanDerWaalsContact C-N 3.33Å; T160-L162 PolarHBondContact O-N 3.48Å; L162-S164 VanDerWaalsContact C-N 3.28Å; L162-S164 PolarHBondContact O-N 3.39Å; L162-K165 PolarHBondContact O-N 3.38Å; L162-V167 HydrophobicContact CD2-CG2 4.01Å; L162-L174 HydrophobicContact CD1-CB 3.86Å; L162-A175 HydrophobicContact CD1-CB 4.39Å; L162-S415 VanDerWaalsContact CD2-O 3.23Å; L162-S415 WeakPolarHBondContact CD2-O 3.42Å; L162-A419 HydrophobicContact CD1-CB 4.33Å; L162-A419 HydrophobicContact CD2-CB 3.96Å; L162-A419 HydrophobicContact CG-CB 4.03Å
163N83.1Confident85.1Confident44 Ų4438.7 Ų38.724%0.23520%0.204CC..THydrogen-bonded Turntrans-67.1-21.7-173.3-83.1-35.6000114.6A159 T160 K165 S168 R507A159-N163 PolarHBondContact O-N 2.93Å; A159-N163 VanDerWaalsContact O-N 3.1Å; A159-N163 PolarHBondContact O-ND2 2.93Å; T160-N163 PolarHBondContact O-N 2.94Å; N163-K165 VanDerWaalsContact C-N 3.34Å; N163-S168 VanDerWaalsContact O-CB 3.27Å; N163-S168 WeakPolarHBondContact O-CB 3.32Å; N163-R507 PolarHBondContact OD1-NH2 3.1Å
164S78.6Confident85.3Confident33 Ų3336.4 Ų36.423%0.23119%0.192CC..THydrogen-bonded Turntrans-86.9-1178.452.60000114.4L162L162-S164 VanDerWaalsContact C-N 3.28Å; L162-S164 PolarHBondContact O-N 3.39Å
165K80.9Confident85.3Confident14 Ų1436.3 Ų36.36%0.06119%0.192CC..SBendtrans-111170.5-170-56.9-178.4-170.7173.50111.7S161 L162 N163 V167 S168 S415 D418S161-K165 WeakPolarHBondContact O-CE 3.34Å; L162-K165 PolarHBondContact O-N 3.38Å; N163-K165 VanDerWaalsContact C-N 3.34Å; K165-V167 HydrophobicContact CB-CG2 4.15Å; K165-V167 PolarHBondContact O-N 2.9Å; K165-S168 WeakPolarHBondContact O-CB 3.38Å; K165-S168 PolarHBondContact O-N 3.04Å; K165-S168 PolarHBondContact O-OG 3.34Å; K165-S415 WeakPolarHBondContact CB-OG 3.28Å; K165-S415 WeakPolarHBondContact CD-OG 3.47Å; K165-D418 IonicContact NZ-OD2 2.86Å; K165-D418 PolarHBondContact NZ-OD2 3.33Å
166V78.2Confident85.4Confident53 Ų5336.4 Ų36.432%0.32119%0.193SC..G310 helixtrans-54-29.9176.3-178.60000111.8D49 S168 E411D49-V166 VanDerWaalsContact OD2-CG2 3.32Å; D49-V166 WeakPolarHBondContact OD2-CG2 3.41Å; V166-S168 VanDerWaalsContact C-N 3.28Å; V166-S168 PolarHBondContact O-N 3.12Å; V166-E411 HydrophobicContact CB-CG 4.14Å; V166-E411 HydrophobicContact CG2-CG 3.91Å
167V81.9Confident85.6Confident1 Ų133.4 Ų33.41%0.00618%0.18CC..G310 helixtrans-82.88.7177.9-61.20000115L162 K165 Q169 Y170 S171 L174 A412 S415L162-V167 HydrophobicContact CD2-CG2 4.01Å; K165-V167 HydrophobicContact CB-CG2 4.15Å; K165-V167 PolarHBondContact O-N 2.9Å; V167-Q169 PolarHBondContact O-N 3.1Å; V167-Q169 VanDerWaalsContact O-N 3.15Å; V167-Y170 CarbonylContact O-C 3.58Å; V167-Y170 WeakPolarHBondContact O-CA 3.5Å; V167-Y170 PolarHBondContact O-N 3.31Å; V167-S171 PolarHBondContact O-N 3.49Å; V167-S171 VanDerWaalsContact O-N 3.14Å; V167-L174 HydrophobicContact CB-CD1 3.84Å; V167-L174 HydrophobicContact CG1-CD1 4.2Å; V167-L174 HydrophobicContact CG2-CD1 4.08Å; V167-A412 HydrophobicContact CG1-CB 3.62Å; V167-S415 VanDerWaalsContact CG2-CB 3.43Å
168S81.8Confident85.7Confident41 Ų4133.3 Ų33.329%0.28718%0.18SC..G310 helixtrans-53.1-37.3-178.456.20000113.6N163 K165 V166 Y170 S171N163-S168 VanDerWaalsContact O-CB 3.27Å; N163-S168 WeakPolarHBondContact O-CB 3.32Å; K165-S168 WeakPolarHBondContact O-CB 3.38Å; K165-S168 PolarHBondContact O-N 3.04Å; K165-S168 PolarHBondContact O-OG 3.34Å; V166-S168 VanDerWaalsContact C-N 3.28Å; V166-S168 PolarHBondContact O-N 3.12Å; S168-Y170 VanDerWaalsContact C-N 3.26Å; S168-Y170 PolarHBondContact O-N 3.38Å; S168-S171 VanDerWaalsContact O-CB 3.3Å; S168-S171 WeakPolarHBondContact O-CB 3.5Å; S168-S171 PolarHBondContact O-N 3.44Å; S168-S171 PolarHBondContact O-OG 2.96Å
169Q84.3Confident85.8Confident146 Ų14633.4 Ų33.468%0.68218%0.181SC*.G310 helixtrans-64.6-30.8176.5-62.3-177.93.100112.6V167 H172V167-Q169 PolarHBondContact O-N 3.1Å; V167-Q169 VanDerWaalsContact O-N 3.15Å; Q169-H172 PolarHBondContact O-CE1 3.42Å; Q169-H172 PolarHBondContact O-ND1 2.89Å
170Y85.5Confident85.8Confident54 Ų5436.1 Ų36.121%0.21219%0.192CC..G310 helixtrans-97.44.3-177.8-53.4-66.1000113.3V167 S168 H172 I173 L174 V227 D228V167-Y170 CarbonylContact O-C 3.58Å; V167-Y170 WeakPolarHBondContact O-CA 3.5Å; V167-Y170 PolarHBondContact O-N 3.31Å; S168-Y170 VanDerWaalsContact C-N 3.26Å; S168-Y170 PolarHBondContact O-N 3.38Å; Y170-H172 PolarHBondContact O-N 3.38Å; Y170-H172 VanDerWaalsContact O-N 3.13Å; Y170-I173 PolarHBondContact O-N 2.97Å; Y170-L174 PolarHBondContact O-N 3.42Å; Y170-V227 HydrophobicContact CD1-CB 4.41Å; Y170-V227 HydrophobicContact CD2-CB 3.8Å; Y170-V227 HydrophobicContact CD2-CG1 4.13Å; Y170-V227 HydrophobicContact CD2-CG2 4.17Å; Y170-V227 HydrophobicContact CE2-CB 4.08Å; Y170-V227 HydrophobicContact CE2-CG2 4.19Å; Y170-V227 HydrophobicContact CG-CB 3.97Å; Y170-V227 HydrophobicContact CG-CG1 4.13Å; Y170-D228 WeakPolarHBondContact CD1-OD1 3.32Å; Y170-D228 WeakPolarHBondContact CE1-OD1 3.3Å
171S84Confident85.8Confident16 Ų1634.5 Ų34.511%0.11218%0.182CC..Hα-helixtrans-52.8-36-178.854.60000113.3V167 S168 I173 A175V167-S171 PolarHBondContact O-N 3.49Å; V167-S171 VanDerWaalsContact O-N 3.14Å; S168-S171 VanDerWaalsContact O-CB 3.3Å; S168-S171 WeakPolarHBondContact O-CB 3.5Å; S168-S171 PolarHBondContact O-N 3.44Å; S168-S171 PolarHBondContact O-OG 2.96Å; S171-I173 VanDerWaalsContact C-N 3.29Å; S171-I173 PolarHBondContact O-N 2.95Å; S171-A175 WeakPolarHBondContact O-CB 3.29Å; S171-A175 PolarHBondContact O-N 3.35Å
172H86.4Confident85.9Confident128 Ų12834.4 Ų34.459%0.59318%0.181SC*.Hα-helixtrans-65.7-26178.965.1-75.6000114.2Q169 Y170 P176Q169-H172 PolarHBondContact O-CE1 3.42Å; Q169-H172 PolarHBondContact O-ND1 2.89Å; Y170-H172 PolarHBondContact O-N 3.38Å; Y170-H172 VanDerWaalsContact O-N 3.13Å; H172-P176 WeakPolarHBondContact O-CD 3.48Å; H172-P176 VanDerWaalsContact O-CG 3.29Å; H172-P176 WeakPolarHBondContact O-CG 3.47Å
173I88.6Confident85.9Confident45 Ų4537.4 Ų37.423%0.23119%0.193CC..Hα-helixtrans-92.4-43.2177-61169.6000110.1Y170 S171 P176 I177 D228Y170-I173 PolarHBondContact O-N 2.97Å; S171-I173 VanDerWaalsContact C-N 3.29Å; S171-I173 PolarHBondContact O-N 2.95Å; I173-P176 VanDerWaalsContact O-CD 3.29Å; I173-P176 WeakPolarHBondContact O-CD 3.47Å; I173-P176 VanDerWaalsContact O-CG 3.27Å; I173-P176 WeakPolarHBondContact O-CG 3.37Å; I173-I177 HydrophobicContact CG2-CD1 3.99Å; I173-I177 WeakPolarHBondContact O-CD1 3.19Å; I173-I177 WeakPolarHBondContact O-CG1 3.46Å; I173-D228 HydrophobicContact CD1-CB 4.04Å; I173-D228 WeakPolarHBondContact CD1-OD1 3.44Å
174L89.4Confident85.8Confident1 Ų139.4 Ų39.41%0.00520%0.199CC..Hα-helixtrans-72-40.4-176-66.5-177.7000112.8L162 V167 Y170 I177 V178 V227 M416L162-L174 HydrophobicContact CD1-CB 3.86Å; V167-L174 HydrophobicContact CB-CD1 3.84Å; V167-L174 HydrophobicContact CG1-CD1 4.2Å; V167-L174 HydrophobicContact CG2-CD1 4.08Å; Y170-L174 PolarHBondContact O-N 3.42Å; L174-I177 WeakPolarHBondContact O-CB 3.22Å; L174-I177 PolarHBondContact O-N 2.96Å; L174-V178 WeakPolarHBondContact O-CG2 3.49Å; L174-V178 PolarHBondContact O-N 3.08Å; L174-V227 HydrophobicContact CD1-CG1 3.97Å; L174-V227 HydrophobicContact CD2-CG1 4.11Å; L174-V227 HydrophobicContact CG-CG1 4.34Å; L174-M416 HydrophobicContact CB-SD 3.71Å; L174-M416 HydrophobicContact CD1-SD 4.07Å; L174-M416 HydrophobicContact CD2-CE 4.31Å; L174-M416 HydrophobicContact CD2-SD 3.8Å; L174-M416 HydrophobicContact CG-SD 4.06Å
175A89.4Confident85.9Confident1 Ų138 Ų381%0.00819%0.19CC..Hα-helixtrans-56.7-49.2-18000000113.7T155 A158 A159 L162 S171 I177 V178 V179T155-A175 HydrophobicContact CG2-CB 3.9Å; A158-A175 HydrophobicContact CB-CB 4.09Å; A159-A175 HydrophobicContact CB-CB 4.12Å; L162-A175 HydrophobicContact CD1-CB 4.39Å; S171-A175 WeakPolarHBondContact O-CB 3.29Å; S171-A175 PolarHBondContact O-N 3.35Å; A175-I177 VanDerWaalsContact C-N 3.33Å; A175-I177 PolarHBondContact O-N 3.39Å; A175-V178 PolarHBondContact O-N 3Å; A175-V179 WeakPolarHBondContact O-CG2 3.26Å; A175-V179 PolarHBondContact O-N 3.49Å
176P91.8Very high85.5Confident43 Ų4337.7 Ų37.728%0.27919%0.189SC..Hα-helixtrans-66.7-32.6176.625-33.5000112.8H172 I173 V179 N180H172-P176 WeakPolarHBondContact O-CD 3.48Å; H172-P176 VanDerWaalsContact O-CG 3.29Å; H172-P176 WeakPolarHBondContact O-CG 3.47Å; I173-P176 VanDerWaalsContact O-CD 3.29Å; I173-P176 WeakPolarHBondContact O-CD 3.47Å; I173-P176 VanDerWaalsContact O-CG 3.27Å; I173-P176 WeakPolarHBondContact O-CG 3.37Å; P176-V179 PolarHBondContact O-N 3.01Å; P176-N180 VanDerWaalsContact O-CB 3.28Å; P176-N180 WeakPolarHBondContact O-CB 3.49Å; P176-N180 PolarHBondContact O-N 3.29Å; P176-N180 PolarHBondContact O-ND2 2.86Å
177I91.4Very high84.9Confident18 Ų1839 Ų399%0.09219%0.194CC..Hα-helixtrans-60.7-48.2174.3-70.1169.5000110.4I173 L174 A175 N180 A181 S230 L232 I399 M416I173-I177 HydrophobicContact CG2-CD1 3.99Å; I173-I177 WeakPolarHBondContact O-CD1 3.19Å; I173-I177 WeakPolarHBondContact O-CG1 3.46Å; L174-I177 WeakPolarHBondContact O-CB 3.22Å; L174-I177 PolarHBondContact O-N 2.96Å; A175-I177 VanDerWaalsContact C-N 3.33Å; A175-I177 PolarHBondContact O-N 3.39Å; I177-N180 PolarHBondContact O-N 3.12Å; I177-A181 WeakPolarHBondContact O-CB 3.35Å; I177-A181 PolarHBondContact O-N 2.66Å; I177-S230 WeakPolarHBondContact CD1-O 3.15Å; I177-L232 HydrophobicContact CG2-CB 4.21Å; I177-L232 HydrophobicContact CG2-CD1 4.35Å; I177-I399 HydrophobicContact CG2-CD1 4.13Å; I177-I399 HydrophobicContact CG2-CG1 4.28Å; I177-I399 HydrophobicContact CG2-CG2 3.95Å; I177-M416 HydrophobicContact CG2-CE 4Å
178V90.3Very high83.9Confident0 Ų041.8 Ų41.80%021%0.206CC..Hα-helixtrans-60.7-47.3178.3172.40000111.1L174 A175 N180 A181 V182 M416 A419 I420 L423L174-V178 WeakPolarHBondContact O-CG2 3.49Å; L174-V178 PolarHBondContact O-N 3.08Å; A175-V178 PolarHBondContact O-N 3Å; V178-N180 PolarHBondContact O-N 3.09Å; V178-A181 PolarHBondContact O-N 3.24Å; V178-V182 WeakPolarHBondContact O-CG2 3.26Å; V178-V182 PolarHBondContact O-N 2.93Å; V178-M416 HydrophobicContact CG2-CE 3.32Å; V178-M416 HydrophobicContact CG2-SD 3.44Å; V178-M416 WeakPolarHBondContact CG2-SD 3.45Å; V178-A419 HydrophobicContact CG1-CB 4.07Å; V178-A419 HydrophobicContact CG2-CB 4.13Å; V178-I420 HydrophobicContact CG1-CB 4.45Å; V178-I420 HydrophobicContact CG1-CG1 3.72Å; V178-I420 HydrophobicContact CG2-CG1 4.44Å; V178-L423 HydrophobicContact CG1-CD1 3.72Å; V178-L423 HydrophobicContact CG1-CG 4.47Å
179V90.4Very high82.7Confident3 Ų344.6 Ų44.62%0.01823%0.232CC..Hα-helixtrans-61.3-47.1178.6173.80000110.7L154 A158 A175 P176 A181 V182 R183 L423L154-V179 HydrophobicContact CB-CG1 4.01Å; L154-V179 HydrophobicContact CB-CG2 3.89Å; L154-V179 HydrophobicContact CD1-CG1 4.3Å; A158-V179 HydrophobicContact CB-CG2 4.36Å; A175-V179 WeakPolarHBondContact O-CG2 3.26Å; A175-V179 PolarHBondContact O-N 3.49Å; P176-V179 PolarHBondContact O-N 3.01Å; V179-A181 VanDerWaalsContact C-N 3.32Å; V179-A181 PolarHBondContact O-N 3.37Å; V179-V182 PolarHBondContact O-N 3.3Å; V179-R183 HydrophobicContact CG1-CG 4.26Å; V179-R183 WeakPolarHBondContact O-CB 3.41Å; V179-R183 WeakPolarHBondContact O-CG 3.43Å; V179-R183 PolarHBondContact O-N 3.03Å; V179-L423 HydrophobicContact CB-CD1 4.47Å; V179-L423 HydrophobicContact CG2-CD1 3.87Å
180N88.9Confident81.5Confident77 Ų7746 Ų4641%0.41224%0.235SC..Hα-helixtrans-62.6-38178.9-72.3-22.4000112.4P176 I177 V178 K184 L232P176-N180 VanDerWaalsContact O-CB 3.28Å; P176-N180 WeakPolarHBondContact O-CB 3.49Å; P176-N180 PolarHBondContact O-N 3.29Å; P176-N180 PolarHBondContact O-ND2 2.86Å; I177-N180 PolarHBondContact O-N 3.12Å; V178-N180 PolarHBondContact O-N 3.09Å; N180-K184 WeakPolarHBondContact O-CG 3.4Å; N180-K184 PolarHBondContact O-N 2.9Å; N180-L232 HydrophobicContact CB-CD2 3.54Å
181A86.9Confident80.3Confident0 Ų045.6 Ų45.60%024%0.237CC..Hα-helixtrans-62.5-49.4174.900000111.6I177 V178 V179 R183 K184 I185 L232 I399I177-A181 WeakPolarHBondContact O-CB 3.35Å; I177-A181 PolarHBondContact O-N 2.66Å; V178-A181 PolarHBondContact O-N 3.24Å; V179-A181 VanDerWaalsContact C-N 3.32Å; V179-A181 PolarHBondContact O-N 3.37Å; A181-R183 VanDerWaalsContact C-N 3.35Å; A181-R183 PolarHBondContact O-N 3.48Å; A181-K184 PolarHBondContact O-N 3.03Å; A181-I185 WeakPolarHBondContact O-CG1 3.48Å; A181-I185 PolarHBondContact O-N 2.99Å; A181-L232 HydrophobicContact CB-CD1 3.69Å; A181-I399 HydrophobicContact CB-CD1 3.9Å; A181-I399 HydrophobicContact CB-CG1 4.42Å
182V87Confident79.3Confident4 Ų450.3 Ų50.32%0.02427%0.265CS..Hα-helixtrans-62.5-42.8-179.7168.40000111.3V178 V179 K184 I185 S186 I194 I199 I420 L423 F427V178-V182 WeakPolarHBondContact O-CG2 3.26Å; V178-V182 PolarHBondContact O-N 2.93Å; V179-V182 PolarHBondContact O-N 3.3Å; V182-K184 VanDerWaalsContact C-N 3.3Å; V182-K184 PolarHBondContact O-N 2.93Å; V182-I185 PolarHBondContact O-N 3.17Å; V182-I185 VanDerWaalsContact O-N 3.14Å; V182-S186 WeakPolarHBondContact O-CB 3.36Å; V182-S186 PolarHBondContact O-N 3.48Å; V182-S186 PolarHBondContact O-OG 2.97Å; V182-S186 VanDerWaalsContact O-OG 3.13Å; V182-I194 HydrophobicContact CG1-CD1 3.73Å; V182-I199 HydrophobicContact CG2-CD1 4.25Å; V182-I420 HydrophobicContact CG2-CG2 4.03Å; V182-L423 HydrophobicContact CB-CD1 4.11Å; V182-L423 HydrophobicContact CG1-CB 4.38Å; V182-L423 HydrophobicContact CG1-CD1 4.45Å; V182-L423 HydrophobicContact CG2-CB 4.24Å; V182-L423 HydrophobicContact CG2-CD1 3.89Å; V182-F427 HydrophobicContact CG1-CE2 3.64Å; V182-F427 HydrophobicContact CG1-CZ 3.98Å
183R85Confident78.5Confident63 Ų6348 Ų4824%0.23826%0.257CS..Hα-helixtrans-60.5-36.3178.4-72.4-172.8162.6-143.5-8.3113.7N149 V179 A181 I185 S186 F188N149-R183 VanDerWaalsContact C-NH2 3.31Å; N149-R183 PolarHBondContact O-NH2 3.24Å; V179-R183 HydrophobicContact CG1-CG 4.26Å; V179-R183 WeakPolarHBondContact O-CB 3.41Å; V179-R183 WeakPolarHBondContact O-CG 3.43Å; V179-R183 PolarHBondContact O-N 3.03Å; A181-R183 VanDerWaalsContact C-N 3.35Å; A181-R183 PolarHBondContact O-N 3.48Å; R183-I185 VanDerWaalsContact C-N 3.26Å; R183-I185 PolarHBondContact O-N 2.96Å; R183-S186 PolarHBondContact O-OG 2.9Å; R183-F188 HydrophobicContact CB-CZ 4.29Å; R183-F188 HydrophobicContact CG-CZ 3.88Å
184K81.8Confident77.9Confident86 Ų8646.1 Ų46.137%0.37425%0.248SC..Hα-helixtrans-70.5-23178.8-75.5-178.6-170.8-171.80113.2N180 A181 V182 D234 V397N180-K184 WeakPolarHBondContact O-CG 3.4Å; N180-K184 PolarHBondContact O-N 2.9Å; A181-K184 PolarHBondContact O-N 3.03Å; V182-K184 VanDerWaalsContact C-N 3.3Å; V182-K184 PolarHBondContact O-N 2.93Å; K184-D234 IonicContact NZ-OD1 2.75Å; K184-D234 PolarHBondContact NZ-OD1 3.33Å; K184-D234 IonicContact NZ-OD2 2.63Å; K184-D234 PolarHBondContact NZ-OD2 3.39Å; K184-V397 HydrophobicContact CB-CG2 3.64Å; K184-V397 HydrophobicContact CD-CG2 4.23Å
185I79.9Confident77.3Confident5 Ų550.6 Ų50.63%0.02627%0.272CS..Hα-helixtrans-93.2-38.1-178.4-63.2176.4000110.8A181 V182 R183 I194 N198 I199 K395 V397A181-I185 WeakPolarHBondContact O-CG1 3.48Å; A181-I185 PolarHBondContact O-N 2.99Å; V182-I185 PolarHBondContact O-N 3.17Å; V182-I185 VanDerWaalsContact O-N 3.14Å; R183-I185 VanDerWaalsContact C-N 3.26Å; R183-I185 PolarHBondContact O-N 2.96Å; I185-I194 HydrophobicContact CG2-CG2 4.02Å; I185-N198 HydrophobicContact CD1-CB 4.08Å; I185-N198 WeakPolarHBondContact CD1-O 3.1Å; I185-N198 HydrophobicContact CG2-CB 4.16Å; I185-I199 HydrophobicContact CD1-CB 4.32Å; I185-I199 HydrophobicContact CD1-CD1 3.74Å; I185-I199 HydrophobicContact CD1-CG1 3.05Å; I185-K395 WeakPolarHBondContact CG1-O 3.4Å; I185-K395 WeakPolarHBondContact CG2-O 3.48Å; I185-V397 HydrophobicContact CD1-CB 4.49Å; I185-V397 HydrophobicContact CD1-CG2 4.22Å; I185-V397 HydrophobicContact CG1-CG2 3.91Å
186S72Confident76.8Confident6 Ų653 Ų534%0.04228%0.284CS..  trans-76.8125.4-173.762.10000112.4V182 R183 F188V182-S186 WeakPolarHBondContact O-CB 3.36Å; V182-S186 PolarHBondContact O-N 3.48Å; V182-S186 PolarHBondContact O-OG 2.97Å; V182-S186 VanDerWaalsContact O-OG 3.13Å; R183-S186 PolarHBondContact O-OG 2.9Å; S186-F188 PolarHBondContact O-N 3.21Å
187N67Low76.2Confident80 Ų8059.4 Ų59.443%0.42831%0.308SS..  trans-86.199.9154.1-75.7-11.7000108.3A189 K190 D191 K395N187-A189 PolarHBondContact O-N 2.73Å; N187-K190 PolarHBondContact O-N 3.03Å; N187-D191 PolarHBondContact N-OD2 3.23Å; N187-D191 VanDerWaalsContact N-OD2 3.09Å; N187-D191 PolarHBondContact O-N 2.9Å; N187-K395 WeakPolarHBondContact ND2-CE 3.24Å; N187-K395 PolarHBondContact ND2-NZ 2.9Å
188F60.8Low75.8Confident61 Ų6159.2 Ų59.227%0.26831%0.307SS..THydrogen-bonded Turntrans-50.4-21.9-176.5-63.8-81.1000115.5L148 R183 S186 F427L148-F188 HydrophobicContact CB-CD1 3.82Å; L148-F188 HydrophobicContact CB-CE1 4.12Å; L148-F188 WeakPolarHBondContact O-CE1 3.16Å; R183-F188 HydrophobicContact CB-CZ 4.29Å; R183-F188 HydrophobicContact CG-CZ 3.88Å; S186-F188 PolarHBondContact O-N 3.21Å; F188-F427 HydrophobicContact CD1-CE1 4.02Å; F188-F427 HydrophobicContact CD1-CZ 4.33Å; F188-F427 HydrophobicContact CE1-CE1 4.33Å; F188-F427 HydrophobicContact CE1-CZ 4.19Å
189A55.6Low75.5Confident100 Ų10060 Ų6083%0.82631%0.311SS*.THydrogen-bonded Turntrans-90.4-21.8-17700000115.2N187N187-A189 PolarHBondContact O-N 2.73Å
190K58.4Low75.2Confident174 Ų17461.6 Ų61.676%0.75732%0.319SS*.THydrogen-bonded Turntrans-124.9-30.7-169.4-67.4-172.8179.8-177.40114.2N187 T192N187-K190 PolarHBondContact O-N 3.03Å; K190-T192 PolarHBondContact O-N 3.5Å
191D61.3Low75.1Confident47 Ų4759 Ų5925%0.25131%0.305SS..  trans-88.7111.9-166-60.8-17.6000109.6N187 K395N187-D191 PolarHBondContact N-OD2 3.23Å; N187-D191 VanDerWaalsContact N-OD2 3.09Å; N187-D191 PolarHBondContact O-N 2.9Å; D191-K395 IonicContact OD1-NZ 3.3Å; D191-K395 IonicContact OD2-NZ 2.56Å; D191-K395 PolarHBondContact OD2-NZ 3.06Å
192T62.6Low75.1Confident114 Ų11459.4 Ų59.470%0.69931%0.308SS*.SBendtrans-82.7-18.5174.250.80000112.6K190K190-T192 PolarHBondContact O-N 3.5Å
193N71Confident75.1Confident79 Ų7963.3 Ų63.342%0.42232%0.324SS..SBendtrans-140141.3176.2-162.613.1000109.5
194I74Confident74.9Confident7 Ų761 Ų614%0.03632%0.316CS..  trans-100.8123175.4-64.1164.4000107.8V182 I185 L196 R424 F427V182-I194 HydrophobicContact CG1-CD1 3.73Å; I185-I194 HydrophobicContact CG2-CG2 4.02Å; I194-L196 PolarHBondContact O-N 3.05Å; I194-L196 VanDerWaalsContact O-N 3.1Å; I194-R424 HydrophobicContact CB-CG 4.37Å; I194-F427 HydrophobicContact CD1-CB 4.28Å; I194-F427 HydrophobicContact CD1-CD1 3.99Å; I194-F427 HydrophobicContact CD1-CD2 3.15Å; I194-F427 HydrophobicContact CD1-CE1 4.08Å; I194-F427 HydrophobicContact CD1-CE2 3.28Å; I194-F427 HydrophobicContact CD1-CG 3.54Å; I194-F427 HydrophobicContact CD1-CZ 3.75Å; I194-F427 HydrophobicContact CG1-CD1 4.44Å; I194-F427 HydrophobicContact CG1-CD2 4.22Å; I194-F427 HydrophobicContact CG1-CG 4.15Å
195D77.7Confident74.6Confident94 Ų9458.6 Ų58.650%0.50331%0.307SS..  trans-71.6103.6171.2-72-25000109.7K197 N198D195-K197 PolarHBondContact O-N 2.88Å; D195-K197 VanDerWaalsContact O-N 3.12Å; D195-N198 WeakPolarHBondContact O-CB 3.28Å; D195-N198 PolarHBondContact O-N 3.48Å
196L79.5Confident73.4Confident53 Ų5359 Ų5928%0.27731%0.312SS..G310 helixtrans-57.8-24.6176.6-60.4177.1000112.6I194 N198 I199 I420 C421 R424I194-L196 PolarHBondContact O-N 3.05Å; I194-L196 VanDerWaalsContact O-N 3.1Å; L196-N198 PolarHBondContact O-N 3.34Å; L196-N198 VanDerWaalsContact O-N 3.12Å; L196-I199 PolarHBondContact O-N 3.4Å; L196-I420 HydrophobicContact CD2-CB 4.43Å; L196-I420 HydrophobicContact CD2-CG2 3.36Å; L196-C421 VanDerWaalsContact CD1-SG 3.51Å; L196-R424 HydrophobicContact CD2-CB 4.4Å
197K79.1Confident72.5Confident176 Ų17661.8 Ų61.877%0.76533%0.326SS*.G310 helixtrans-60.7-18175.7-63.8-173177.9-172.80113.6D195 I199D195-K197 PolarHBondContact O-N 2.88Å; D195-K197 VanDerWaalsContact O-N 3.12Å; K197-I199 VanDerWaalsContact C-N 3.28Å
198N82.5Confident71.5Confident15 Ų1564.7 Ų64.78%0.0833%0.331CS..G310 helixtrans-85.11.2176.3-62.2-20.1000112.9I185 D195 L196 F346 K349 K395 A396 V397I185-N198 HydrophobicContact CD1-CB 4.08Å; I185-N198 WeakPolarHBondContact CD1-O 3.1Å; I185-N198 HydrophobicContact CG2-CB 4.16Å; D195-N198 WeakPolarHBondContact O-CB 3.28Å; D195-N198 PolarHBondContact O-N 3.48Å; L196-N198 PolarHBondContact O-N 3.34Å; L196-N198 VanDerWaalsContact O-N 3.12Å; N198-F346 WeakPolarHBondContact O-CE2 3.39Å; N198-K349 PolarHBondContact OD1-NZ 3.35Å; N198-K395 VanDerWaalsContact CB-O 3.29Å; N198-K395 WeakPolarHBondContact CB-O 3.21Å; N198-A396 HydrophobicContact CB-CB 4.08Å; N198-A396 CarbonylContact O-C 3.56Å; N198-A396 WeakPolarHBondContact O-CA 3.21Å; N198-A396 WeakPolarHBondContact O-CB 3.19Å; N198-V397 PolarHBondContact O-N 3.33Å
199I84.6Confident70.8Confident17 Ų1764.4 Ų64.49%0.08734%0.336CS..EExtended strand (participates in β ladder)trans-111.7111.7169.9-58.6168000107.9V182 I185 L196 K197 L201 V397 I399 I420V182-I199 HydrophobicContact CG2-CD1 4.25Å; I185-I199 HydrophobicContact CD1-CB 4.32Å; I185-I199 HydrophobicContact CD1-CD1 3.74Å; I185-I199 HydrophobicContact CD1-CG1 3.05Å; L196-I199 PolarHBondContact O-N 3.4Å; K197-I199 VanDerWaalsContact C-N 3.28Å; I199-L201 HydrophobicContact CG2-CD2 4.3Å; I199-V397 WeakPolarHBondContact CA-O 3.42Å; I199-I399 HydrophobicContact CG2-CD1 3.92Å; I199-I399 HydrophobicContact CG2-CG1 4.37Å; I199-I420 HydrophobicContact CD1-CD1 4.02Å; I199-I420 HydrophobicContact CD1-CG1 4.23Å; I199-I420 HydrophobicContact CD1-CG2 3.46Å; I199-I420 VanDerWaalsContact CD1-CG2 3.46Å; I199-I420 HydrophobicContact CG2-CD1 3.92Å
200L84.1Confident70.1Confident36 Ų3664.6 Ų64.619%0.18832%0.322CS..EExtended strand (participates in β ladder)trans-95.6120.5172.6-173.769.5000109.6V202 F346 V397 S398 I399L200-V202 HydrophobicContact CD2-CG2 3.77Å; L200-V202 HydrophobicContact CG-CG2 3.92Å; L200-F346 HydrophobicContact CB-CD1 4Å; L200-F346 HydrophobicContact CB-CD2 4.21Å; L200-F346 HydrophobicContact CB-CE1 3.35Å; L200-F346 HydrophobicContact CB-CE2 3.6Å; L200-F346 HydrophobicContact CB-CG 4.37Å; L200-F346 HydrophobicContact CB-CZ 3.1Å; L200-F346 HydrophobicContact CD2-CD1 3.79Å; L200-F346 HydrophobicContact CD2-CE1 3.47Å; L200-F346 VanDerWaalsContact CD2-CE1 3.47Å; L200-F346 HydrophobicContact CD2-CZ 4.17Å; L200-F346 HydrophobicContact CG-CD1 4.44Å; L200-F346 HydrophobicContact CG-CE1 4.04Å; L200-F346 HydrophobicContact CG-CZ 4.25Å; L200-V397 PolarHBondContact N-O 3.27Å; L200-S398 CarbonylContact O-C 3.44Å; L200-S398 WeakPolarHBondContact O-CA 3.4Å; L200-I399 PolarHBondContact O-N 3.03Å
201L86.7Confident69.2Low21 Ų2165.3 Ų65.311%0.1133%0.325CS..EExtended strand (participates in β ladder)trans-90.8115.1169.1-59.8177.9000107.8I199 I399 L401 E413 M416 R417I199-L201 HydrophobicContact CG2-CD2 4.3Å; L201-I399 HydrophobicContact CD2-CB 3.7Å; L201-I399 HydrophobicContact CD2-CD1 3.73Å; L201-I399 HydrophobicContact CD2-CG1 4.15Å; L201-I399 HydrophobicContact CD2-CG2 4.21Å; L201-L401 HydrophobicContact CB-CD1 4.34Å; L201-L401 HydrophobicContact CD1-CD1 4.44Å; L201-L401 HydrophobicContact CD2-CD1 4.3Å; L201-E413 HydrophobicContact CB-CG 4.18Å; L201-E413 HydrophobicContact CD1-CG 3.89Å; L201-M416 HydrophobicContact CD1-CB 4.2Å; L201-R417 HydrophobicContact CD1-CG 3.62Å
202V86.1Confident67.8Low10 Ų1074 Ų746%0.06136%0.355CS..EExtended strand (participates in β ladder)trans-104.7125.9174.4-178.50000108.7L200 V237 D239 I399 L400 L401L200-V202 HydrophobicContact CD2-CG2 3.77Å; L200-V202 HydrophobicContact CG-CG2 3.92Å; V202-V237 HydrophobicContact CB-CB 4.43Å; V202-V237 HydrophobicContact CB-CG1 4.08Å; V202-V237 HydrophobicContact CG1-CG1 3.96Å; V202-V237 HydrophobicContact CG2-CB 4.01Å; V202-V237 HydrophobicContact CG2-CG1 4.09Å; V202-D239 HydrophobicContact CG1-CB 4.48Å; V202-I399 PolarHBondContact N-O 3.1Å; V202-L400 HydrophobicContact CG1-CD1 4.45Å; V202-L401 PolarHBondContact O-N 3.43Å
203K86.9Confident66.2Low86 Ų8673 Ų7337%0.37436%0.358SS..EExtended strand (participates in β ladder)trans-105.4128.8-174.176.5-165.6-169.1167.10111.2L409 D410 E413K203-L409 HydrophobicContact CB-CD1 4.13Å; K203-L409 HydrophobicContact CB-CD2 3.48Å; K203-L409 VanDerWaalsContact CB-CD2 3.48Å; K203-L409 HydrophobicContact CB-CG 3.99Å; K203-L409 HydrophobicContact CD-CD2 3.63Å; K203-L409 HydrophobicContact CG-CD2 3.72Å; K203-D410 IonicContact NZ-OD1 2.82Å; K203-D410 PolarHBondContact NZ-OD1 3.03Å; K203-E413 WeakPolarHBondContact CD-OE2 3.31Å; K203-E413 IonicContact NZ-OE2 3.55Å; K203-E413 PolarHBondContact NZ-OE2 2.69Å
204K80.7Confident64.1Low14 Ų1475.3 Ų75.36%0.06138%0.379CS..EExtended strand (participates in β ladder)trans-138.5140.5179.7-70.9-71.2155.6-179.30113.3D239 E382 I384 L400 L401 R402 G403 L409K204-D239 WeakPolarHBondContact CE-OD2 3.1Å; K204-D239 IonicContact NZ-OD1 3.74Å; K204-D239 PolarHBondContact NZ-OD1 3.41Å; K204-D239 IonicContact NZ-OD2 3.57Å; K204-D239 PolarHBondContact NZ-OD2 3.41Å; K204-E382 HydrophobicContact CD-CB 4.47Å; K204-E382 WeakPolarHBondContact CD-OE2 3.3Å; K204-I384 HydrophobicContact CD-CG2 3.66Å; K204-I384 HydrophobicContact CG-CG2 3.63Å; K204-L400 HydrophobicContact CB-CD1 4.21Å; K204-L400 HydrophobicContact CG-CD1 3.91Å; K204-L401 PolarHBondContact N-O 3.16Å; K204-R402 VanDerWaalsContact CB-NH1 3.33Å; K204-G403 PolarHBondContact O-N 2.71Å; K204-L409 VanDerWaalsContact O-CD1 3.3Å; K204-L409 WeakPolarHBondContact O-CD1 3.01Å
205L76Confident61.9Low35 Ų3585.6 Ų85.618%0.18342%0.424CS..EExtended strand (participates in β ladder)trans-85.8132.1176-66.6163.8000109.8S380 E382 R406 L409L205-S380 PolarHBondContact O-OG 3.01Å; L205-E382 PolarHBondContact N-OE2 3.33Å; L205-R406 HydrophobicContact CD1-CG 3.68Å; L205-R406 HydrophobicContact CD2-CG 3.81Å; L205-R406 HydrophobicContact CG-CG 4.27Å; L205-L409 HydrophobicContact CD2-CD1 4.2Å
206G55Low59.7Low13 Ų1384.7 Ų84.713%0.13443%0.429CS..SBendtrans109.6-167.6149.100000117.7G225 R402 G403G206-G225 WeakPolarHBondContact O-CA 3.25Å; G206-R402 VanDerWaalsContact C-NH2 3.31Å; G206-R402 PolarHBondContact O-NE 3.39Å; G206-R402 PolarHBondContact O-NH2 3.41Å; G206-G403 PolarHBondContact N-O 2.98Å
207L52.3Low57.3Low65 Ų6589.7 Ų89.734%0.3446%0.455SS..SBendtrans-74.6161.2-162.1-61.7129.2000112.7S224 E379 R402L207-S224 VanDerWaalsContact CA-O 3.27Å; L207-S224 WeakPolarHBondContact CA-O 3.16Å; L207-S224 WeakPolarHBondContact CA-OG 3.2Å; L207-S224 WeakPolarHBondContact CB-OG 3.31Å; L207-S224 WeakPolarHBondContact CD2-O 3.36Å; L207-S224 WeakPolarHBondContact CG-O 3.47Å; L207-E379 HydrophobicContact CB-CB 4.05Å; L207-E379 WeakPolarHBondContact CB-OE2 3.43Å; L207-R402 PolarHBondContact O-NH2 2.96Å
208R47.5Very low54.9Low141 Ų14187.1 Ų87.153%0.53246%0.46SS..  trans-45.5156.8-172-94.1172.1-174.1-169.10.6114.2L210 S224R208-L210 PolarHBondContact O-N 3.25Å; R208-S224 PolarHBondContact N-OG 2.93Å
209P45.5Very low52.3Low56 Ų5695.6 Ų95.636%0.36450%0.496SS..BIsolated β-bridgetrans-60.5136.2170.326.7-33.1000109.6K211 V376 F378P209-K211 PolarHBondContact O-N 3.49Å; P209-V376 HydrophobicContact CB-CG1 3.66Å; P209-F378 HydrophobicContact CB-CD1 4.28Å; P209-F378 HydrophobicContact CB-CE1 4.26Å
210L41.1Very low49.7Very low103 Ų103100 Ų10054%0.53953%0.525SS..  trans-7274.9-177.4-141.6149.9000109.2R208 R212 R377 E379R208-L210 PolarHBondContact O-N 3.25Å; L210-R212 HydrophobicContact CD2-CG 4.3Å; L210-R212 PolarHBondContact O-N 3.45Å; L210-R212 VanDerWaalsContact O-N 3.07Å; L210-R377 PolarHBondContact N-O 2.84Å; L210-E379 HydrophobicContact CB-CG 4.32Å; L210-E379 HydrophobicContact CD1-CG 3.7Å; L210-E379 HydrophobicContact CG-CG 3.98Å
211K39.9Very low47Very low189 Ų189107.7 Ų107.782%0.82256%0.558SS**  trans-70.5101.7168.1-84.4-170.4177.6-179.80107.5P209 A213P209-K211 PolarHBondContact O-N 3.49Å; K211-A213 PolarHBondContact O-N 3.45Å
212R31.9Very low44.2Very low230 Ų230116.5 Ų116.587%0.86859%0.59SS**SBendtrans-57.4120.4166.3-77.3178.9160.3169.1-6.9108.4L210L210-R212 HydrophobicContact CD2-CG 4.3Å; L210-R212 PolarHBondContact O-N 3.45Å; L210-R212 VanDerWaalsContact O-N 3.07Å
213A27.4Very low41.6Very low94 Ų94124.3 Ų124.378%0.77762%0.623SS**  trans76.584.7172.800000117.8K211K211-A213 PolarHBondContact O-N 3.45Å
214C26.7Very low39.9Very low126 Ų126121.2 Ų121.285%0.85161%0.612SS**  trans-132.288.6133.1-104.60000108A216C214-A216 PolarHBondContact O-N 2.97Å; C214-A216 VanDerWaalsContact O-N 3.09Å
215F28.6Very low38.9Very low224 Ų224120.7 Ų120.798%0.98261%0.611SS**  trans-78.273.5168.7-146.3-90.9000107.1
216A31.6Very low38.8Very low74 Ų74120.8 Ų120.861%0.61261%0.613SS**  trans-156.6115175.600000112.4C214C214-A216 PolarHBondContact O-N 2.97Å; C214-A216 VanDerWaalsContact O-N 3.09Å
217L29.9Very low40.1Very low159 Ų159120.3 Ų120.383%0.83261%0.607SS**  trans78.884152-61163.4000118.3F219L217-F219 PolarHBondContact O-N 3.35Å
218S28.2Very low41.5Very low122 Ų122119.8 Ų119.885%0.85361%0.605SS**  33.572.1123.6-160.40000117.2
219F28.3Very low43.2Very low192 Ų192115.6 Ų115.684%0.84259%0.593SS**  trans-135.3136.9154.9-105.4-96.1000108L217 F221L217-F219 PolarHBondContact O-N 3.35Å; F219-F221 PolarHBondContact O-N 2.99Å
220P29.4Very low45.1Very low109 Ų109113.3 Ų113.371%0.70858%0.578SS**  trans-62.6138.9-170.126.8-33.7000110.8R222P220-R222 PolarHBondContact O-N 3.39Å
221F27.1Very low47.3Very low199 Ų199111.9 Ų111.987%0.87357%0.569SS**  trans-13.188.2166.9-115.9-101.4000113.9F219 F223F219-F221 PolarHBondContact O-N 2.99Å; F221-F223 PolarHBondContact O-N 3.26Å
222R28.2Very low49.5Very low206 Ų206104.6 Ų104.678%0.77754%0.539SS*.  trans-80.7116.6164.5-73.3-17795.2163.12.3106.6P220 S224P220-R222 PolarHBondContact O-N 3.39Å; R222-S224 VanDerWaalsContact C-N 3.3Å; R222-S224 PolarHBondContact O-N 3Å
223F31.4Very low52Low174 Ų17493.8 Ų93.876%0.76350%0.498SS*.  trans-54.198.9163.8-75.2-88.5000107.4F221F221-F223 PolarHBondContact O-N 3.26Å
224S50.8Low54.3Low21 Ų2193.5 Ų93.515%0.14748%0.483CS..  trans-82.3151.5179.771.30000110.1L207 R208 R222L207-S224 VanDerWaalsContact CA-O 3.27Å; L207-S224 WeakPolarHBondContact CA-O 3.16Å; L207-S224 WeakPolarHBondContact CA-OG 3.2Å; L207-S224 WeakPolarHBondContact CB-OG 3.31Å; L207-S224 WeakPolarHBondContact CD2-O 3.36Å; L207-S224 WeakPolarHBondContact CG-O 3.47Å; R208-S224 PolarHBondContact N-OG 2.93Å; R222-S224 VanDerWaalsContact C-N 3.3Å; R222-S224 PolarHBondContact O-N 3Å
225G59.6Low56.8Low2 Ų287.5 Ų87.52%0.02144%0.443CS..  trans99.117.8-167.500000114.7G206 D229 G403 S404G206-G225 WeakPolarHBondContact O-CA 3.25Å; G225-D229 PolarHBondContact N-OD2 2.95Å; G225-G403 CarbonylContact O-C 3.55Å; G225-G403 VanDerWaalsContact O-CA 3.29Å; G225-G403 WeakPolarHBondContact O-CA 3.47Å; G225-S404 PolarHBondContact O-N 3.24Å
226T75.3Confident59.4Low37 Ų3776.8 Ų76.823%0.22740%0.396CS..SBendtrans-73.1166.7165.445.10000110.7D228 D229T226-D228 PolarHBondContact O-N 2.91Å; T226-D228 VanDerWaalsContact O-N 3.09Å; T226-D228 PolarHBondContact OG1-OD2 2.99Å; T226-D228 VanDerWaalsContact OG1-OD2 3.04Å; T226-D229 PolarHBondContact O-N 3.4Å
227V80.7Confident61.9Low4 Ų473.3 Ų73.32%0.02437%0.367CS..G310 helixtrans-56.9-24.2176.1-177.90000111.9Y170 L174 D229 S230 R402 V408Y170-V227 HydrophobicContact CD1-CB 4.41Å; Y170-V227 HydrophobicContact CD2-CB 3.8Å; Y170-V227 HydrophobicContact CD2-CG1 4.13Å; Y170-V227 HydrophobicContact CD2-CG2 4.17Å; Y170-V227 HydrophobicContact CE2-CB 4.08Å; Y170-V227 HydrophobicContact CE2-CG2 4.19Å; Y170-V227 HydrophobicContact CG-CB 3.97Å; Y170-V227 HydrophobicContact CG-CG1 4.13Å; L174-V227 HydrophobicContact CD1-CG1 3.97Å; L174-V227 HydrophobicContact CD2-CG1 4.11Å; L174-V227 HydrophobicContact CG-CG1 4.34Å; V227-D229 PolarHBondContact O-N 3.29Å; V227-S230 VanDerWaalsContact O-CB 3.25Å; V227-S230 WeakPolarHBondContact O-CB 3.23Å; V227-S230 PolarHBondContact O-N 3.4Å; V227-S230 VanDerWaalsContact O-N 3.14Å; V227-S230 PolarHBondContact O-OG 3.22Å; V227-R402 WeakPolarHBondContact CA-O 3.36Å; V227-V408 HydrophobicContact CG2-CG1 4.07Å
228D83.3Confident64.5Low53 Ų5366 Ų6628%0.28333%0.329SS..G310 helixtrans-56.2-32.8173.9-57.6-49.6000114.1Y170 I173 T226 S230Y170-D228 WeakPolarHBondContact CD1-OD1 3.32Å; Y170-D228 WeakPolarHBondContact CE1-OD1 3.3Å; I173-D228 HydrophobicContact CD1-CB 4.04Å; I173-D228 WeakPolarHBondContact CD1-OD1 3.44Å; T226-D228 PolarHBondContact O-N 2.91Å; T226-D228 VanDerWaalsContact O-N 3.09Å; T226-D228 PolarHBondContact OG1-OD2 2.99Å; T226-D228 VanDerWaalsContact OG1-OD2 3.04Å; D228-S230 PolarHBondContact O-N 3.36Å
229D83.6Confident66.9Low53 Ų5364.1 Ų64.128%0.28331%0.309SS..G310 helixtrans-79.96.9-177.6-70.9-35.4000112.1G225 T226 V227 R402G225-D229 PolarHBondContact N-OD2 2.95Å; T226-D229 PolarHBondContact O-N 3.4Å; V227-D229 PolarHBondContact O-N 3.29Å; D229-R402 HydrophobicContact CB-CB 4.23Å; D229-R402 HydrophobicContact CB-CG 4.18Å
230S84.9Confident69.1Low9 Ų956.2 Ų56.26%0.06328%0.277CS..  trans-70.7133.6177-56.10000110.9I177 V227 D228 L400 R402I177-S230 WeakPolarHBondContact CD1-O 3.15Å; V227-S230 VanDerWaalsContact O-CB 3.25Å; V227-S230 WeakPolarHBondContact O-CB 3.23Å; V227-S230 PolarHBondContact O-N 3.4Å; V227-S230 VanDerWaalsContact O-N 3.14Å; V227-S230 PolarHBondContact O-OG 3.22Å; D228-S230 PolarHBondContact O-N 3.36Å; S230-L400 CarbonylContact C-O 3.51Å; S230-L400 WeakPolarHBondContact CA-O 3.43Å; S230-L400 WeakPolarHBondContact CB-O 3.39Å; S230-R402 PolarHBondContact OG-N 2.84Å
231E86.4Confident71.2Confident73 Ų7359.4 Ų59.434%0.34128%0.275SS..EExtended strand (participates in β ladder)trans-129.1143.6-174.957.5170.3-175.100112.6I233 K386 L400E231-I233 HydrophobicContact CG-CD1 3.93Å; E231-I233 HydrophobicContact CG-CG1 3.89Å; E231-I233 WeakPolarHBondContact OE1-CD1 3.45Å; E231-K386 IonicContact OE1-NZ 2.98Å; E231-K386 PolarHBondContact OE1-NZ 3.09Å; E231-K386 IonicContact OE2-NZ 2.62Å; E231-K386 PolarHBondContact OE2-NZ 3.05Å; E231-K386 VanDerWaalsContact OE2-NZ 3.09Å; E231-L400 HydrophobicContact CG-CB 4.08Å; E231-L400 HydrophobicContact CG-CD2 4.18Å; E231-L400 PolarHBondContact N-O 3.28Å; E231-L400 PolarHBondContact O-N 3.22Å
232L87.1Confident73.2Confident35 Ų3551.1 Ų51.118%0.18324%0.242CC..EExtended strand (participates in β ladder)trans-79.6125.7164.9-170.967.3000108.6I177 N180 A181 V397 I399I177-L232 HydrophobicContact CG2-CB 4.21Å; I177-L232 HydrophobicContact CG2-CD1 4.35Å; N180-L232 HydrophobicContact CB-CD2 3.54Å; A181-L232 HydrophobicContact CB-CD1 3.69Å; L232-V397 HydrophobicContact CD1-CG1 3.36Å; L232-V397 HydrophobicContact CG-CG1 4.01Å; L232-I399 HydrophobicContact CD1-CD1 4.33Å; L232-I399 HydrophobicContact CD1-CG1 3.63Å
233I84.5Confident75.2Confident3 Ų343 Ų432%0.01522%0.215CC..EExtended strand (participates in β ladder)trans-112.6126.7-178.8-65.8166.8000109.5E231 G235 V237 K386 S398 L400E231-I233 HydrophobicContact CG-CD1 3.93Å; E231-I233 HydrophobicContact CG-CG1 3.89Å; E231-I233 WeakPolarHBondContact OE1-CD1 3.45Å; I233-G235 PolarHBondContact O-N 3.02Å; I233-V237 HydrophobicContact CB-CG2 4.12Å; I233-V237 HydrophobicContact CD1-CG2 3.24Å; I233-V237 HydrophobicContact CG1-CG2 4.26Å; I233-V237 HydrophobicContact CG2-CG2 4.03Å; I233-K386 HydrophobicContact CD1-CD 4.07Å; I233-K386 HydrophobicContact CD1-CG 4.33Å; I233-K386 HydrophobicContact CG2-CD 4.43Å; I233-K386 HydrophobicContact CG2-CG 4.04Å; I233-S398 PolarHBondContact N-O 3.18Å; I233-L400 HydrophobicContact CD1-CB 3.74Å; I233-L400 HydrophobicContact CD1-CD2 4.26Å
234D75.7Confident76.8Confident88 Ų8836.7 Ų36.747%0.47120%0.198SC..SBendtrans-81.449.3-177.4-69.13000111.9K184K184-D234 IonicContact NZ-OD1 2.75Å; K184-D234 PolarHBondContact NZ-OD1 3.33Å; K184-D234 IonicContact NZ-OD2 2.63Å; K184-D234 PolarHBondContact NZ-OD2 3.39Å
235G78.5Confident77.3Confident0 Ų036.8 Ų36.80%020%0.201CC..SBendtrans178.5-156.7-178.600000110.5I233 F387 S398I233-G235 PolarHBondContact O-N 3.02Å; G235-F387 WeakPolarHBondContact CA-O 3.27Å; G235-S398 WeakPolarHBondContact O-CB 3.49Å; G235-S398 PolarHBondContact O-N 3.48Å; G235-S398 PolarHBondContact O-OG 2.93Å
236A83Confident77.4Confident0 Ų043.6 Ų43.60%024%0.244CC..  trans-95.1149178.200000110.6I350 F387A236-I350 HydrophobicContact CB-CD1 4.21Å; A236-I350 HydrophobicContact CB-CG2 4.02Å; A236-F387 HydrophobicContact CB-CB 4.28Å; A236-F387 HydrophobicContact CB-CD2 3.93Å; A236-F387 HydrophobicContact CB-CG 4.31Å; A236-F387 WeakPolarHBondContact O-CB 3.04Å; A236-F387 WeakPolarHBondContact O-CD2 3.4Å; A236-F387 PolarHBondContact O-N 3.32Å
237V85.1Confident76.8Confident0 Ų045 Ų450%027%0.266CS..EExtended strand (participates in β ladder)trans-122.4132.2164.5177.90000107.1V202 I233 I384 V385 S398V202-V237 HydrophobicContact CB-CB 4.43Å; V202-V237 HydrophobicContact CB-CG1 4.08Å; V202-V237 HydrophobicContact CG1-CG1 3.96Å; V202-V237 HydrophobicContact CG2-CB 4.01Å; V202-V237 HydrophobicContact CG2-CG1 4.09Å; I233-V237 HydrophobicContact CB-CG2 4.12Å; I233-V237 HydrophobicContact CD1-CG2 3.24Å; I233-V237 HydrophobicContact CG1-CG2 4.26Å; I233-V237 HydrophobicContact CG2-CG2 4.03Å; V237-I384 HydrophobicContact CG1-CB 4.25Å; V237-I384 HydrophobicContact CG1-CD1 4.2Å; V237-V385 WeakPolarHBondContact CA-O 3.43Å; V237-S398 WeakPolarHBondContact CG2-OG 3.37Å; V237-S398 PolarHBondContact N-OG 3.16Å
238L83.8Confident76.3Confident5 Ų546 Ų463%0.02628%0.276CS..EExtended strand (participates in β ladder)trans-114.8134.1173.5-59.3178.3000109.6T240 L310 I336 I339 I347 V385 F387L238-T240 PolarHBondContact O-N 3.19Å; L238-L310 HydrophobicContact CD1-CD1 4.44Å; L238-L310 HydrophobicContact CD1-CD2 4.07Å; L238-I336 HydrophobicContact CD1-CG2 4.41Å; L238-I339 HydrophobicContact CD1-CD1 4.3Å; L238-I347 HydrophobicContact CD1-CD1 4.24Å; L238-I347 HydrophobicContact CD2-CD1 3.51Å; L238-I347 HydrophobicContact CD2-CG1 3.89Å; L238-V385 PolarHBondContact N-O 2.96Å; L238-V385 PolarHBondContact O-N 2.89Å; L238-F387 HydrophobicContact CD1-CE2 3.62Å; L238-F387 HydrophobicContact CD1-CZ 3.99Å; L238-F387 HydrophobicContact CG-CE2 3.83Å
239D78.5Confident76.1Confident83 Ų8345.1 Ų45.144%0.44427%0.273SS..  trans-66.3-22.9173-167.9-51.3000111.6V202 K204V202-D239 HydrophobicContact CG1-CB 4.48Å; K204-D239 WeakPolarHBondContact CE-OD2 3.1Å; K204-D239 IonicContact NZ-OD1 3.74Å; K204-D239 PolarHBondContact NZ-OD1 3.41Å; K204-D239 IonicContact NZ-OD2 3.57Å; K204-D239 PolarHBondContact NZ-OD2 3.41Å
240T74.8Confident75.9Confident27 Ų2746 Ų4617%0.16628%0.28CS..SBendtrans-69.9148.1-170.551.10000113.8L238 I336 D338L238-T240 PolarHBondContact O-N 3.19Å; T240-I336 WeakPolarHBondContact OG1-CG2 3.48Å; T240-D338 WeakPolarHBondContact CG2-O 3.25Å
241R72.5Confident76Confident176 Ų17652.1 Ų52.166%0.66430%0.302SS*.PPolyproline II helixtrans-80.4134.5178-61.5177.4-177.9-178.90.2109.2V243R241-V243 PolarHBondContact O-N 3.32Å
242S69.8Low76Confident25 Ų2549.3 Ų49.318%0.17529%0.29CS..EExtended strand (participates in β ladder)trans-64.4128.9163.971.80000109.1V335 N375S242-V335 WeakPolarHBondContact CA-O 3.39Å; S242-N375 PolarHBondContact OG-ND2 3.38Å
243V70.5Confident76Confident35 Ų3553.6 Ų53.621%0.21231%0.308CS..EExtended strand (participates in β ladder)trans-107.2124.8176-178.30000107.6R241 L325 V335 K337R241-V243 PolarHBondContact O-N 3.32Å; V243-L325 HydrophobicContact CB-CD2 4.29Å; V243-L325 HydrophobicContact CG1-CD1 3.45Å; V243-L325 VanDerWaalsContact CG1-CD1 3.45Å; V243-L325 HydrophobicContact CG1-CD2 3.82Å; V243-L325 HydrophobicContact CG1-CG 4.28Å; V243-V335 PolarHBondContact N-O 3.01Å; V243-K337 HydrophobicContact CB-CD 4.2Å; V243-K337 HydrophobicContact CB-CG 4.28Å; V243-K337 HydrophobicContact CG1-CD 4.43Å; V243-K337 HydrophobicContact CG2-CD 3.65Å; V243-K337 HydrophobicContact CG2-CG 3.61Å
244G63.9Low76.2Confident41 Ų4160.3 Ų60.342%0.42334%0.337SS..  trans-159.7146.7-177.900000111.5
245A61.7Low76.8Confident24 Ų2456.1 Ų56.120%0.19832%0.315CS..  trans-60.3157.1166.800000110.5G247 A248A245-G247 PolarHBondContact O-N 3.02Å; A245-A248 PolarHBondContact O-N 2.9Å
246P61.4Low77.4Confident144 Ų14461.1 Ų61.194%0.93533%0.334SS*.THydrogen-bonded Turntrans-55.2106.6171.623-33000109.6
247G62.9Low77.8Confident66 Ų6661.1 Ų61.168%0.6833%0.334SS*.THydrogen-bonded Turntrans129.5-14.4-173.500000115A245A245-G247 PolarHBondContact O-N 3.02Å
248A70.7Confident78.1Confident27 Ų2761.1 Ų61.122%0.22333%0.334CS..  trans-64.3136.9174.400000111.3A245 T250A245-A248 PolarHBondContact O-N 2.9Å; A248-T250 PolarHBondContact O-N 2.96Å
249P78.2Confident78.5Confident34 Ų3460.9 Ų60.922%0.22133%0.333CS..  trans-66.3131.1179.327-32.9000110.2V252 K332 M334P249-V252 HydrophobicContact CB-CG2 3.94Å; P249-V252 HydrophobicContact CG-CG2 3.85Å; P249-K332 WeakPolarHBondContact CG-O 3.47Å; P249-M334 HydrophobicContact CG-CB 4.43Å; P249-M334 WeakPolarHBondContact O-CE 3.44Å
250T80.2Confident79.2Confident72 Ų7257 Ų5744%0.44231%0.312SS..SBendtrans-87-17.1173.346.80000112.5A248 M334 N375A248-T250 PolarHBondContact O-N 2.96Å; T250-M334 VanDerWaalsContact O-CE 3.22Å; T250-M334 WeakPolarHBondContact O-CE 3.28Å; T250-N375 PolarHBondContact O-N 3.03Å
251R86Confident79.9Confident137 Ų13759.3 Ų59.352%0.51732%0.321SS..EExtended strand (participates in β ladder)trans-137.8130.5177.4177.5173.7162.5165.5-3108.6E253 L372 V373 E374R251-E253 IonicContact CZ-OE1 3.33Å; R251-E253 IonicContact NE-OE1 2.73Å; R251-E253 PolarHBondContact NE-OE1 3.02Å; R251-E253 IonicContact NH2-OE1 3.55Å; R251-E253 PolarHBondContact NH2-OE1 3.37Å; R251-L372 HydrophobicContact CG-CD1 3.79Å; R251-V373 CarbonylContact C-O 3.55Å; R251-V373 WeakPolarHBondContact CA-O 3.25Å; R251-E374 HydrophobicContact CG-CB 4.34Å
252V87.4Confident80.7Confident14 Ų1452 Ų529%0.08529%0.294CS..EExtended strand (participates in β ladder)trans-128.6123.7179-179.40000108P249 A255 N307 V308 M334 V373P249-V252 HydrophobicContact CB-CG2 3.94Å; P249-V252 HydrophobicContact CG-CG2 3.85Å; V252-A255 HydrophobicContact CB-CB 4.44Å; V252-A255 HydrophobicContact CG1-CB 3.86Å; V252-N307 HydrophobicContact CG1-CB 3.92Å; V252-V308 HydrophobicContact CB-CG2 4.24Å; V252-V308 HydrophobicContact CG1-CG2 4.31Å; V252-V308 HydrophobicContact CG2-CG2 4.29Å; V252-M334 HydrophobicContact CG2-CB 4.23Å; V252-M334 HydrophobicContact CG2-CE 4.09Å; V252-V373 PolarHBondContact N-O 3.36Å; V252-V373 PolarHBondContact O-N 2.99Å
253E88Confident81.5Confident124 Ų12453.3 Ų53.358%0.57930%0.297SS*.EExtended strand (participates in β ladder)trans-94.4142.6172.5-64.2-177.7174.100109.6R251 A255 D371 L372R251-E253 IonicContact CZ-OE1 3.33Å; R251-E253 IonicContact NE-OE1 2.73Å; R251-E253 PolarHBondContact NE-OE1 3.02Å; R251-E253 IonicContact NH2-OE1 3.55Å; R251-E253 PolarHBondContact NH2-OE1 3.37Å; E253-A255 PolarHBondContact O-N 3.46Å; E253-D371 CarbonylContact C-O 3.49Å; E253-D371 WeakPolarHBondContact CA-O 3.4Å; E253-L372 HydrophobicContact CG-CD1 3.88Å
254K88.2Confident82.3Confident144 Ų14451.7 Ų51.763%0.62629%0.287SS*.EExtended strand (participates in β ladder)trans50.256.4-176.2-58.7-177.5177.81770111.9Y369 A370 D371K254-Y369 HydrophobicContact CB-CE2 4.27Å; K254-Y369 WeakPolarHBondContact CG-OH 3.32Å; K254-A370 CarbonylContact C-O 2.97Å; K254-A370 WeakPolarHBondContact CA-O 3.28Å; K254-D371 PolarHBondContact N-O 3.02Å
255A88.7Confident83.3Confident0 Ų050.1 Ų50.10%027%0.27CS..EExtended strand (participates in β ladder)trans-73.3131.4-178.100000111.7V252 E253 I257 V308 Y369 A370 V373V252-A255 HydrophobicContact CB-CB 4.44Å; V252-A255 HydrophobicContact CG1-CB 3.86Å; E253-A255 PolarHBondContact O-N 3.46Å; A255-I257 HydrophobicContact CB-CG1 4.22Å; A255-V308 HydrophobicContact CB-CB 4.47Å; A255-V308 HydrophobicContact CB-CG2 3.62Å; A255-Y369 WeakPolarHBondContact O-CA 3.49Å; A255-A370 PolarHBondContact N-O 2.99Å; A255-A370 PolarHBondContact O-N 3.38Å; A255-V373 HydrophobicContact CB-CB 4.38Å; A255-V373 HydrophobicContact CB-CG2 3.59Å
256R91.2Very high84.4Confident105 Ų10550.2 Ų50.240%0.39627%0.269SS..EExtended strand (participates in β ladder)trans-93122.2159.8-66.6-176.7179.9179.73.1108.7N305 N307 V308 L367 G368R256-N305 WeakPolarHBondContact CB-O 3.37Å; R256-N305 VanDerWaalsContact CD-O 3.29Å; R256-N305 WeakPolarHBondContact CD-O 3.2Å; R256-N307 PolarHBondContact O-N 2.92Å; R256-V308 PolarHBondContact O-N 2.71Å; R256-V308 VanDerWaalsContact O-N 3.09Å; R256-L367 HydrophobicContact CB-CB 4.41Å; R256-L367 HydrophobicContact CB-CD1 4.12Å; R256-G368 CarbonylContact C-O 3.32Å; R256-G368 VanDerWaalsContact CA-O 3.31Å; R256-G368 WeakPolarHBondContact CA-O 3.37Å
257I91.1Very high85.3Confident0 Ų047.1 Ų47.10%025%0.249CC..EExtended strand (participates in β ladder)trans-108.9120.4-168.6-53.9164.8000109.7A255 V308 L310 L351 L367 G368 A370 V373 F387A255-I257 HydrophobicContact CB-CG1 4.22Å; I257-V308 CarbonylContact C-O 3.58Å; I257-V308 VanDerWaalsContact CA-O 3.28Å; I257-V308 WeakPolarHBondContact CA-O 3.29Å; I257-V308 HydrophobicContact CG1-CB 4.07Å; I257-V308 HydrophobicContact CG1-CG1 4.45Å; I257-V308 HydrophobicContact CG2-CB 4.49Å; I257-V308 HydrophobicContact CG2-CG1 4.34Å; I257-L310 HydrophobicContact CG2-CD1 3.7Å; I257-L310 HydrophobicContact CG2-CG 3.77Å; I257-L351 HydrophobicContact CB-CD1 4.3Å; I257-L351 HydrophobicContact CD1-CD1 3.74Å; I257-L351 HydrophobicContact CD1-CD2 3.75Å; I257-L351 HydrophobicContact CD1-CG 4.3Å; I257-L351 HydrophobicContact CG2-CD1 3.81Å; I257-L367 CarbonylContact O-C 3.51Å; I257-L367 WeakPolarHBondContact O-CA 3.14Å; I257-G368 PolarHBondContact N-O 3.33Å; I257-G368 PolarHBondContact O-N 2.86Å; I257-A370 HydrophobicContact CD1-CB 3.61Å; I257-V373 HydrophobicContact CD1-CG2 4.26Å; I257-F387 HydrophobicContact CD1-CD1 3.57Å; I257-F387 HydrophobicContact CD1-CE1 3.77Å; I257-F387 HydrophobicContact CG1-CE1 4.43Å
258G91.2Very high86.1Confident0 Ų049.6 Ų49.60%024%0.241CC..EExtended strand (participates in β ladder)trans-104.2130.8173.500000111.1C306 V308 L310G258-C306 PolarHBondContact N-SG 3.37Å; G258-C306 VanDerWaalsContact N-SG 3.45Å; G258-V308 PolarHBondContact N-O 3.38Å; G258-L310 PolarHBondContact O-N 2.75Å
259L92.7Very high86.7Confident1 Ų152.3 Ų52.31%0.00526%0.255CS..EExtended strand (participates in β ladder)trans-103.2118.3172.2-165.5155.4000109.6Q261 L310 V344 I347 P355 I356L259-Q261 HydrophobicContact CD2-CG 4.32Å; L259-L310 HydrophobicContact CB-CB 4.46Å; L259-L310 HydrophobicContact CG-CB 4.33Å; L259-V344 HydrophobicContact CD1-CG1 4.01Å; L259-V344 HydrophobicContact CD2-CG1 3.67Å; L259-V344 HydrophobicContact CD2-CG2 4.38Å; L259-I347 HydrophobicContact CD1-CB 4.13Å; L259-I347 HydrophobicContact CD1-CG2 3.79Å; L259-P355 HydrophobicContact CD2-CB 3.85Å; L259-I356 WeakPolarHBondContact O-CB 3.27Å; L259-I356 PolarHBondContact O-N 3.12Å
260I92.5Very high86.9Confident0 Ų057.8 Ų57.80%028%0.282CS..EExtended strand (participates in β ladder)trans-115.3132.1-172.4-69.6179.7000110F262 I301 L309 L310 Q312 F362I260-F262 HydrophobicContact CB-CE1 4.31Å; I260-F262 HydrophobicContact CB-CZ 4.48Å; I260-F262 HydrophobicContact CD1-CE1 4.21Å; I260-F262 HydrophobicContact CD1-CE2 4.33Å; I260-F262 HydrophobicContact CD1-CZ 3.72Å; I260-F262 HydrophobicContact CG1-CE1 4.05Å; I260-F262 HydrophobicContact CG1-CZ 4.08Å; I260-F262 HydrophobicContact CG2-CB 4.48Å; I260-F262 HydrophobicContact CG2-CD1 3.53Å; I260-F262 HydrophobicContact CG2-CD2 3.8Å; I260-F262 HydrophobicContact CG2-CE1 3.51Å; I260-F262 HydrophobicContact CG2-CE2 3.77Å; I260-F262 HydrophobicContact CG2-CG 3.67Å; I260-F262 HydrophobicContact CG2-CZ 3.62Å; I260-F262 WeakPolarHBondContact CG2-O 3.29Å; I260-I301 HydrophobicContact CD1-CD1 4.31Å; I260-L309 HydrophobicContact CB-CD2 4.5Å; I260-L309 HydrophobicContact CD1-CD1 3.55Å; I260-L309 HydrophobicContact CD1-CD2 3.76Å; I260-L309 HydrophobicContact CD1-CG 3.61Å; I260-L309 HydrophobicContact CG1-CD2 4.42Å; I260-L309 HydrophobicContact CG1-CG 4.42Å; I260-L310 PolarHBondContact N-O 3.23Å; I260-Q312 PolarHBondContact O-N 3.34Å; I260-F362 HydrophobicContact CD1-CD2 4.31Å; I260-F362 HydrophobicContact CD1-CE2 3.76Å; I260-F362 HydrophobicContact CG1-CD2 4.35Å; I260-F362 HydrophobicContact CG1-CE2 3.9Å
261Q89.9Confident87.2Confident77 Ų7759.7 Ų59.736%0.3629%0.293SS..  trans-103.3-15.9174.7-55.1-174.4-56.100113L259 P355 I356L259-Q261 HydrophobicContact CD2-CG 4.32Å; Q261-P355 HydrophobicContact CG-CB 4.29Å; Q261-I356 PolarHBondContact N-O 3.01Å
262F88.1Confident87Confident23 Ų2362.7 Ų62.710%0.10131%0.313CS..SBendtrans-84.1163.5173.263.6-94.8000112.1I260 L264 I297 I356 A357 L359I260-F262 HydrophobicContact CB-CE1 4.31Å; I260-F262 HydrophobicContact CB-CZ 4.48Å; I260-F262 HydrophobicContact CD1-CE1 4.21Å; I260-F262 HydrophobicContact CD1-CE2 4.33Å; I260-F262 HydrophobicContact CD1-CZ 3.72Å; I260-F262 HydrophobicContact CG1-CE1 4.05Å; I260-F262 HydrophobicContact CG1-CZ 4.08Å; I260-F262 HydrophobicContact CG2-CB 4.48Å; I260-F262 HydrophobicContact CG2-CD1 3.53Å; I260-F262 HydrophobicContact CG2-CD2 3.8Å; I260-F262 HydrophobicContact CG2-CE1 3.51Å; I260-F262 HydrophobicContact CG2-CE2 3.77Å; I260-F262 HydrophobicContact CG2-CG 3.67Å; I260-F262 HydrophobicContact CG2-CZ 3.62Å; I260-F262 WeakPolarHBondContact CG2-O 3.29Å; F262-L264 HydrophobicContact CD2-CD2 4.44Å; F262-L264 HydrophobicContact CE2-CD2 3.82Å; F262-I297 HydrophobicContact CE2-CG2 4.43Å; F262-I356 HydrophobicContact CE1-CG2 4.22Å; F262-A357 WeakPolarHBondContact CB-O 3.29Å; F262-L359 HydrophobicContact CD2-CD2 4.27Å; F262-L359 HydrophobicContact CD2-CG 4.37Å; F262-L359 HydrophobicContact CE1-CD2 4.2Å; F262-L359 HydrophobicContact CE1-CG 4.37Å; F262-L359 HydrophobicContact CE2-CD2 3.38Å; F262-L359 HydrophobicContact CE2-CG 3.91Å; F262-L359 HydrophobicContact CZ-CD2 3.34Å; F262-L359 HydrophobicContact CZ-CG 3.92Å
263Q87.8Confident86.7Confident51 Ų5165.5 Ų65.524%0.23833%0.334CS..  trans-94.3148.3-178.6-54.587.2-6.700112.6S265 S314 R317Q263-S265 VanDerWaalsContact C-N 3.35Å; Q263-S265 PolarHBondContact O-N 3.04Å; Q263-S314 PolarHBondContact NE2-OG 2.88Å; Q263-R317 HydrophobicContact CG-CB 4.11Å
264L86.8Confident86.5Confident1 Ų168.2 Ų68.21%0.00535%0.346CS..BIsolated β-bridgetrans-97.258.6172.8-61.6-179.9000110.8F262 I297 I301 L309 I311 A319 T321 S324 L328F262-L264 HydrophobicContact CD2-CD2 4.44Å; F262-L264 HydrophobicContact CE2-CD2 3.82Å; L264-I297 HydrophobicContact CD2-CG2 3.39Å; L264-I301 HydrophobicContact CD2-CD1 4.13Å; L264-L309 HydrophobicContact CD1-CD1 4.48Å; L264-I311 HydrophobicContact CD1-CD1 3.73Å; L264-I311 HydrophobicContact CG-CD1 4.3Å; L264-A319 PolarHBondContact N-O 3.36Å; L264-T321 PolarHBondContact O-N 3.29Å; L264-T321 PolarHBondContact O-OG1 3.42Å; L264-S324 PolarHBondContact O-OG 2.8Å; L264-L328 HydrophobicContact CD1-CD1 3.73Å
265S85Confident86.2Confident9 Ų967.3 Ų67.36%0.06335%0.353CS..SBendtrans-117.5159.7-179.567.90000112.1Q263Q263-S265 VanDerWaalsContact C-N 3.35Å; Q263-S265 PolarHBondContact O-N 3.04Å
266P84Confident86.1Confident25 Ų2574.3 Ų74.316%0.16239%0.388CS..SBendtrans-50.6154.4166.1-25.332.5000111.5K268 E290 L294 T321P266-K268 PolarHBondContact O-N 3.48Å; P266-E290 HydrophobicContact CB-CG 4.38Å; P266-L294 HydrophobicContact CG-CD1 4.41Å; P266-T321 VanDerWaalsContact CD-CG2 3.5Å; P266-T321 HydrophobicContact CG-CG2 4.44Å
267P80.8Confident85.8Confident80 Ų8073.6 Ų73.652%0.51939%0.392SS..  trans-62.4110.5-176.926.5-33.7000110
268K80.4Confident85.7Confident118 Ų11877.8 Ų77.851%0.51342%0.421SS..  trans-117.3133169-67.7-176.1179.2178.50108P266 R317P266-K268 PolarHBondContact O-N 3.48Å; K268-R317 VanDerWaalsContact O-CZ 3.22Å; K268-R317 PolarHBondContact O-NH1 3.04Å; K268-R317 PolarHBondContact O-NH2 3.5Å; K268-R317 VanDerWaalsContact O-NH2 3.09Å
269T82.9Confident85.5Confident84 Ų8482 Ų8252%0.51544%0.444SS..  trans-78.3156.8170.6490000110.1V271 S273T269-V271 PolarHBondContact O-N 3.45Å; T269-V271 PolarHBondContact OG1-O 3Å; T269-S273 WeakPolarHBondContact OG1-CB 3.1Å; T269-S273 PolarHBondContact OG1-OG 3.19Å; T269-S273 VanDerWaalsContact OG1-OG 3.1Å
270D82.7Confident85.3Confident148 Ų14892.4 Ų92.479%0.79148%0.484SS*.SBendtrans-69.6-23.1172.4-68.6-52.6000112.1R317D270-R317 IonicContact OD1-CZ 3.58Å; D270-R317 IonicContact OD1-NE 2.76Å; D270-R317 IonicContact OD1-NH2 2.69Å; D270-R317 PolarHBondContact OD1-NH2 3.22Å; D270-R317 IonicContact OD2-NH2 3.64Å
271V85.9Confident85.1Confident113 Ų11395.8 Ų95.869%0.68551%0.508SS*.SBendtrans-88.3149.6173.7-172.30000109.5T269 S273T269-V271 PolarHBondContact O-N 3.45Å; T269-V271 PolarHBondContact OG1-O 3Å; V271-S273 PolarHBondContact O-N 3.12Å
272Q81.1Confident85Confident199 Ų19995.4 Ų95.493%0.9351%0.506SS*.  trans-55.3113.5171-69.8-179.4-15.300109.9
273S82.1Confident84.9Confident74 Ų7498.8 Ų98.852%0.51752%0.523SS..  trans-118.9128.6177.458.90000109.9T269 V271T269-S273 WeakPolarHBondContact OG1-CB 3.1Å; T269-S273 PolarHBondContact OG1-OG 3.19Å; T269-S273 VanDerWaalsContact OG1-OG 3.1Å; V271-S273 PolarHBondContact O-N 3.12Å
274E83.1Confident84.9Confident180 Ų180100.5 Ų100.584%0.84153%0.534SS*.  trans-103.4134.4170.9-65.2-175.9173.200109.7
275V82.1Confident85Confident126 Ų126108.2 Ų108.276%0.76456%0.563SS**  trans-97.9104.6173.3-178.50000107.7I277V275-I277 HydrophobicContact CG1-CG1 4.3Å
276I86.1Confident85Confident146 Ų146109.2 Ų109.275%0.74958%0.575SS**  trans-84.5114.9179-57.6172.5000108.9
277I85.9Confident85.2Confident91 Ų91111.7 Ų111.747%0.46759%0.586SS.*  trans-102.2111.7177.3-58.4173.8000108.4V275 N279 Q282 M283V275-I277 HydrophobicContact CG1-CG1 4.3Å; I277-N279 WeakPolarHBondContact CG2-O 3.33Å; I277-Q282 HydrophobicContact CG2-CB 4.21Å; I277-M283 HydrophobicContact CD1-CB 4.49Å; I277-M283 HydrophobicContact CD1-CG 4.38Å; I277-M283 HydrophobicContact CG2-CB 4.11Å
278S88.2Confident85.6Confident87 Ų87115.4 Ų115.461%0.60859%0.59SS**  trans-96.3-24.9-179.757.10000113.8Q282S278-Q282 PolarHBondContact OG-NE2 3.3Å; S278-Q282 PolarHBondContact OG-OE1 2.74Å
279N88.5Confident86Confident90 Ų90115.9 Ų115.948%0.48159%0.594SS.*SBendtrans-127.1143.6-178.5-66.7-54.8000111.6I277 S281 Q282 M283I277-N279 WeakPolarHBondContact CG2-O 3.33Å; N279-S281 PolarHBondContact O-N 3.46Å; N279-S281 VanDerWaalsContact O-N 3.17Å; N279-Q282 HydrophobicContact CB-CG 4.13Å; N279-Q282 WeakPolarHBondContact O-CB 3.41Å; N279-Q282 PolarHBondContact O-N 3.44Å; N279-M283 PolarHBondContact O-N 3.29Å
280Y87.4Confident86.2Confident219 Ų219115.7 Ų115.786%0.85959%0.587SS**Hα-helixtrans-54-35.9174.4-75.6-79.5000113Q282 M283Y280-Q282 VanDerWaalsContact C-N 3.28Å; Y280-Q282 PolarHBondContact O-N 3.33Å; Y280-M283 WeakPolarHBondContact O-CB 3.27Å; Y280-M283 PolarHBondContact O-N 3.13Å
281S88.7Confident86.6Confident70 Ų70114.7 Ų114.749%0.4957%0.572SS.*Hα-helixtrans-67.1-25.517757.80000113.9N279 R285N279-S281 PolarHBondContact O-N 3.46Å; N279-S281 VanDerWaalsContact O-N 3.17Å; S281-R285 WeakPolarHBondContact O-CG 3.26Å; S281-R285 PolarHBondContact O-N 3.27Å
282Q88.2Confident86.8Confident69 Ų69114.9 Ų114.932%0.32257%0.566SS.*Hα-helixtrans-74.2-31.5175.2-69.4169.4-7.800111.5I277 S278 N279 Y280 D284 R285 G286I277-Q282 HydrophobicContact CG2-CB 4.21Å; S278-Q282 PolarHBondContact OG-NE2 3.3Å; S278-Q282 PolarHBondContact OG-OE1 2.74Å; N279-Q282 HydrophobicContact CB-CG 4.13Å; N279-Q282 WeakPolarHBondContact O-CB 3.41Å; N279-Q282 PolarHBondContact O-N 3.44Å; Y280-Q282 VanDerWaalsContact C-N 3.28Å; Y280-Q282 PolarHBondContact O-N 3.33Å; Q282-D284 PolarHBondContact O-N 2.87Å; Q282-R285 PolarHBondContact O-N 2.91Å; Q282-G286 PolarHBondContact O-N 3.47Å
283M85.1Confident87.3Confident95 Ų95110.1 Ų110.147%0.46854%0.54SS..Hα-helixtrans-59.5-47.9176.2-170.6177.3123.300111.2I277 N279 Y280 R285 G286 L287I277-M283 HydrophobicContact CD1-CB 4.49Å; I277-M283 HydrophobicContact CD1-CG 4.38Å; I277-M283 HydrophobicContact CG2-CB 4.11Å; N279-M283 PolarHBondContact O-N 3.29Å; Y280-M283 WeakPolarHBondContact O-CB 3.27Å; Y280-M283 PolarHBondContact O-N 3.13Å; M283-R285 VanDerWaalsContact C-N 3.3Å; M283-R285 PolarHBondContact O-N 3.48Å; M283-G286 PolarHBondContact O-N 2.92Å; M283-L287 WeakPolarHBondContact O-CG 3.35Å; M283-L287 PolarHBondContact O-N 3.36Å; M283-L287 VanDerWaalsContact O-N 3.14Å
284D88.9Confident87.7Confident87 Ų87106.7 Ų106.747%0.46552%0.516SS..Hα-helixtrans-64.5-34.1176.8-78.5-16.6000112.7Q282 R288Q282-D284 PolarHBondContact O-N 2.87Å; D284-R288 VanDerWaalsContact O-CG 3.23Å; D284-R288 WeakPolarHBondContact O-CG 3.29Å; D284-R288 PolarHBondContact O-N 3.27Å
285R88Confident88.1Confident163 Ų163100.6 Ų100.662%0.61549%0.489SS*.Hα-helixtrans-67.1-48.4175.8-72.5178.2-175.3-176.81.4111.4S281 Q282 M283 L287 R288 E289S281-R285 WeakPolarHBondContact O-CG 3.26Å; S281-R285 PolarHBondContact O-N 3.27Å; Q282-R285 PolarHBondContact O-N 2.91Å; M283-R285 VanDerWaalsContact C-N 3.3Å; M283-R285 PolarHBondContact O-N 3.48Å; R285-L287 VanDerWaalsContact C-N 3.34Å; R285-L287 PolarHBondContact O-N 3.09Å; R285-R288 WeakPolarHBondContact O-CB 3.27Å; R285-R288 PolarHBondContact O-N 3.05Å; R285-E289 WeakPolarHBondContact O-CG 3.32Å; R285-E289 PolarHBondContact O-N 3.14Å
286G86.1Confident88.5Confident30 Ų3098.6 Ų98.631%0.30947%0.474SS..Hα-helixtrans-57.5-45.5178.200000112.3Q282 M283 R288 E289 E290Q282-G286 PolarHBondContact O-N 3.47Å; M283-G286 PolarHBondContact O-N 2.92Å; G286-R288 VanDerWaalsContact C-N 3.29Å; G286-R288 PolarHBondContact O-N 3.09Å; G286-E289 PolarHBondContact O-N 2.71Å; G286-E290 WeakPolarHBondContact O-CG 3.39Å; G286-E290 PolarHBondContact O-N 2.56Å
287L86.9Confident88.8Confident76 Ų7691.9 Ų91.940%0.39844%0.439SS..Hα-helixtrans-63.6-32.1176.5-69175.6000113.4M283 R285 R291M283-L287 WeakPolarHBondContact O-CG 3.35Å; M283-L287 PolarHBondContact O-N 3.36Å; M283-L287 VanDerWaalsContact O-N 3.14Å; R285-L287 VanDerWaalsContact C-N 3.34Å; R285-L287 PolarHBondContact O-N 3.09Å; L287-R291 WeakPolarHBondContact O-CD 3.23Å; L287-R291 VanDerWaalsContact O-CG 3.24Å; L287-R291 WeakPolarHBondContact O-CG 3.17Å; L287-R291 PolarHBondContact O-N 2.57Å
288R90.2Very high89Confident159 Ų15987.7 Ų87.760%0.642%0.418SS*.Hα-helixtrans-73-44.6175.2-73.3173.4-166.1-169.55.3111.2D284 R285 G286 E290 R291 E292D284-R288 VanDerWaalsContact O-CG 3.23Å; D284-R288 WeakPolarHBondContact O-CG 3.29Å; D284-R288 PolarHBondContact O-N 3.27Å; R285-R288 WeakPolarHBondContact O-CB 3.27Å; R285-R288 PolarHBondContact O-N 3.05Å; G286-R288 VanDerWaalsContact C-N 3.29Å; G286-R288 PolarHBondContact O-N 3.09Å; R288-E290 PolarHBondContact O-N 2.74Å; R288-R291 WeakPolarHBondContact O-CB 3.24Å; R288-R291 PolarHBondContact O-N 3.38Å; R288-E292 WeakPolarHBondContact O-CB 3.41Å; R288-E292 WeakPolarHBondContact O-CG 3.37Å; R288-E292 PolarHBondContact O-N 3.48Å
289E88.4Confident89.1Confident127 Ų12788.1 Ų88.159%0.59341%0.409SS*.Hα-helixtrans-60.6-43.4178.2-73.5174.2-168.700111.9R285 G286 R291 E292 Y293R285-E289 WeakPolarHBondContact O-CG 3.32Å; R285-E289 PolarHBondContact O-N 3.14Å; G286-E289 PolarHBondContact O-N 2.71Å; E289-R291 VanDerWaalsContact C-N 3.32Å; E289-R291 PolarHBondContact O-N 3.36Å; E289-E292 PolarHBondContact O-N 3.49Å; E289-Y293 WeakPolarHBondContact O-CB 3.15Å; E289-Y293 PolarHBondContact O-N 3Å
290E87.3Confident89.2Confident81 Ų8187.6 Ų87.638%0.37940%0.404SS..Hα-helixtrans-59.6-42.8174.6-73.6-173.6160.500112.2P266 G286 R288 L294P266-E290 HydrophobicContact CB-CG 4.38Å; G286-E290 WeakPolarHBondContact O-CG 3.39Å; G286-E290 PolarHBondContact O-N 2.56Å; R288-E290 PolarHBondContact O-N 2.74Å; E290-L294 PolarHBondContact O-N 3.46Å; E290-L294 VanDerWaalsContact O-N 3.15Å
291R89.7Confident89.3Confident127 Ų12777.2 Ų77.248%0.47936%0.363SS..Hα-helixtrans-66.9-42.4177.6-73.3173.3-174.2-171.53.7111.5L287 R288 E289 L295 L323L287-R291 WeakPolarHBondContact O-CD 3.23Å; L287-R291 VanDerWaalsContact O-CG 3.24Å; L287-R291 WeakPolarHBondContact O-CG 3.17Å; L287-R291 PolarHBondContact O-N 2.57Å; R288-R291 WeakPolarHBondContact O-CB 3.24Å; R288-R291 PolarHBondContact O-N 3.38Å; E289-R291 VanDerWaalsContact C-N 3.32Å; E289-R291 PolarHBondContact O-N 3.36Å; R291-L295 WeakPolarHBondContact O-CB 3.38Å; R291-L295 PolarHBondContact O-N 3Å; R291-L323 HydrophobicContact CG-CD1 4.39Å
292E91.6Very high89.3Confident117 Ų11775.9 Ų75.955%0.54735%0.353SS..Hα-helixtrans-65.2-41.1177.7-76.2-179.7-172.200111.5R288 E289 L295 N296R288-E292 WeakPolarHBondContact O-CB 3.41Å; R288-E292 WeakPolarHBondContact O-CG 3.37Å; R288-E292 PolarHBondContact O-N 3.48Å; E289-E292 PolarHBondContact O-N 3.49Å; E292-L295 PolarHBondContact O-N 3.02Å; E292-N296 WeakPolarHBondContact O-CB 3.49Å; E292-N296 PolarHBondContact O-N 3.43Å; E292-N296 PolarHBondContact O-ND2 3.3Å
293Y90.9Very high89.4Confident98 Ų9880.5 Ų80.538%0.38437%0.372SS..Hα-helixtrans-58.2-54175.2178.7-100.4000111.7E289 L295 N296 I297E289-Y293 WeakPolarHBondContact O-CB 3.15Å; E289-Y293 PolarHBondContact O-N 3Å; Y293-L295 VanDerWaalsContact C-N 3.28Å; Y293-L295 PolarHBondContact O-N 3.42Å; Y293-N296 PolarHBondContact O-N 3.34Å; Y293-I297 HydrophobicContact CD1-CD1 3.94Å; Y293-I297 HydrophobicContact CE1-CD1 3.41Å; Y293-I297 VanDerWaalsContact CE1-CD1 3.41Å; Y293-I297 HydrophobicContact CE2-CD1 4.34Å; Y293-I297 PolarHBondContact O-N 2.92Å; Y293-I297 VanDerWaalsContact O-N 3.11Å
294L90.6Very high89.6Confident2 Ų276.2 Ų76.21%0.0135%0.352CS..Hα-helixtrans-60.8-39.3177.4-72.9178.1000112.1P266 E290 I297 C298 L323 Y327P266-L294 HydrophobicContact CG-CD1 4.41Å; E290-L294 PolarHBondContact O-N 3.46Å; E290-L294 VanDerWaalsContact O-N 3.15Å; L294-I297 PolarHBondContact O-N 2.87Å; L294-C298 PolarHBondContact O-N 3.14Å; L294-C298 PolarHBondContact O-SG 2.83Å; L294-L323 HydrophobicContact CD1-CB 4.09Å; L294-Y327 HydrophobicContact CB-CD2 4.45Å; L294-Y327 HydrophobicContact CB-CE2 4.34Å
295L91.3Very high89.6Confident52 Ų5276.7 Ų76.727%0.27236%0.355SS..Hα-helixtrans-68.6-35.9179-178.5152000111.8R291 E292 Y293 C298 K299 Y327R291-L295 WeakPolarHBondContact O-CB 3.38Å; R291-L295 PolarHBondContact O-N 3Å; E292-L295 PolarHBondContact O-N 3.02Å; Y293-L295 VanDerWaalsContact C-N 3.28Å; Y293-L295 PolarHBondContact O-N 3.42Å; L295-C298 PolarHBondContact O-N 3.19Å; L295-K299 HydrophobicContact CD2-CD 3.64Å; L295-K299 HydrophobicContact CD2-CG 4.18Å; L295-K299 VanDerWaalsContact CD2-NZ 3.25Å; L295-K299 WeakPolarHBondContact O-CB 3.47Å; L295-K299 VanDerWaalsContact O-CG 3.31Å; L295-K299 WeakPolarHBondContact O-CG 3.25Å; L295-K299 PolarHBondContact O-N 3.04Å; L295-Y327 HydrophobicContact CB-CD2 4.34Å; L295-Y327 HydrophobicContact CB-CE2 4.06Å; L295-Y327 HydrophobicContact CD1-CE1 4.26Å
296N91.5Very high89.6Confident85 Ų8569 Ų6946%0.45533%0.326SS..Hα-helixtrans-65.1-42.8174.8-73.2-23.9000111.5E292 Y293 K299 Q300E292-N296 WeakPolarHBondContact O-CB 3.49Å; E292-N296 PolarHBondContact O-N 3.43Å; E292-N296 PolarHBondContact O-ND2 3.3Å; Y293-N296 PolarHBondContact O-N 3.34Å; N296-K299 PolarHBondContact O-N 2.82Å; N296-Q300 WeakPolarHBondContact O-CG 3.33Å; N296-Q300 PolarHBondContact O-N 3.35Å
297I91.2Very high89.9Confident5 Ų570.5 Ų70.53%0.02633%0.327CS..Hα-helixtrans-59.5-50.7173-67.4171.7000110.8F262 L264 Y293 L294 K299 Q300 I301 L359F262-I297 HydrophobicContact CE2-CG2 4.43Å; L264-I297 HydrophobicContact CD2-CG2 3.39Å; Y293-I297 HydrophobicContact CD1-CD1 3.94Å; Y293-I297 HydrophobicContact CE1-CD1 3.41Å; Y293-I297 VanDerWaalsContact CE1-CD1 3.41Å; Y293-I297 HydrophobicContact CE2-CD1 4.34Å; Y293-I297 PolarHBondContact O-N 2.92Å; Y293-I297 VanDerWaalsContact O-N 3.11Å; L294-I297 PolarHBondContact O-N 2.87Å; I297-K299 VanDerWaalsContact C-N 3.28Å; I297-K299 PolarHBondContact O-N 3.42Å; I297-Q300 PolarHBondContact O-N 3.3Å; I297-Q300 VanDerWaalsContact O-N 3.12Å; I297-I301 HydrophobicContact CG2-CD1 3.87Å; I297-I301 WeakPolarHBondContact O-CG1 3.14Å; I297-I301 PolarHBondContact O-N 3.5Å; I297-L359 HydrophobicContact CB-CD2 4.16Å; I297-L359 HydrophobicContact CD1-CD1 3.93Å; I297-L359 HydrophobicContact CG1-CD1 3.69Å; I297-L359 HydrophobicContact CG1-CD2 3.93Å; I297-L359 HydrophobicContact CG1-CG 4.49Å; I297-L359 HydrophobicContact CG2-CD2 3.51Å
298C89.7Confident90Very high2 Ų266.9 Ų66.91%0.01431%0.308CS..Hα-helixtrans-61.4-37.1179.2-65.10000111.9L294 L295 I301 S302 L328L294-C298 PolarHBondContact O-N 3.14Å; L294-C298 PolarHBondContact O-SG 2.83Å; L295-C298 PolarHBondContact O-N 3.19Å; C298-I301 PolarHBondContact O-N 2.88Å; C298-S302 WeakPolarHBondContact O-CB 3.3Å; C298-S302 PolarHBondContact O-N 3.3Å; C298-L328 HydrophobicContact CB-CD2 4.36Å
299K90.9Very high90.1Very high96 Ų9659.3 Ų59.342%0.41728%0.279SS..Hα-helixtrans-65.2-40.6174-81.3179.7177.2167.10112.1L295 N296 I297 S302 K303 M331L295-K299 HydrophobicContact CD2-CD 3.64Å; L295-K299 HydrophobicContact CD2-CG 4.18Å; L295-K299 VanDerWaalsContact CD2-NZ 3.25Å; L295-K299 WeakPolarHBondContact O-CB 3.47Å; L295-K299 VanDerWaalsContact O-CG 3.31Å; L295-K299 WeakPolarHBondContact O-CG 3.25Å; L295-K299 PolarHBondContact O-N 3.04Å; N296-K299 PolarHBondContact O-N 2.82Å; I297-K299 VanDerWaalsContact C-N 3.28Å; I297-K299 PolarHBondContact O-N 3.42Å; K299-S302 PolarHBondContact O-N 3.4Å; K299-K303 WeakPolarHBondContact O-CB 3.44Å; K299-K303 VanDerWaalsContact O-CG 3.27Å; K299-K303 WeakPolarHBondContact O-CG 3.47Å; K299-K303 PolarHBondContact O-N 3.32Å; K299-M331 HydrophobicContact CG-CE 4.42Å
300Q89.7Confident90.3Very high80 Ų8053.2 Ų53.237%0.37425%0.251SS..Hα-helixtrans-62.9-43.1176-75.2177.6-14.800111.5N296 I297 S302 K303 A304N296-Q300 WeakPolarHBondContact O-CG 3.33Å; N296-Q300 PolarHBondContact O-N 3.35Å; I297-Q300 PolarHBondContact O-N 3.3Å; I297-Q300 VanDerWaalsContact O-N 3.12Å; Q300-S302 VanDerWaalsContact C-N 3.31Å; Q300-S302 PolarHBondContact O-N 3.39Å; Q300-K303 WeakPolarHBondContact O-CB 3.46Å; Q300-K303 PolarHBondContact O-N 2.95Å; Q300-A304 PolarHBondContact O-N 3.34Å
301I90.9Very high90.5Very high1 Ų149.4 Ų49.41%0.00523%0.233CC..Hα-helixtrans-59.8-44.9175.2-67.7159.8000110.9I260 L264 I297 C298 A304 C306 L309 I333 F362I260-I301 HydrophobicContact CD1-CD1 4.31Å; L264-I301 HydrophobicContact CD2-CD1 4.13Å; I297-I301 HydrophobicContact CG2-CD1 3.87Å; I297-I301 WeakPolarHBondContact O-CG1 3.14Å; I297-I301 PolarHBondContact O-N 3.5Å; C298-I301 PolarHBondContact O-N 2.88Å; I301-A304 PolarHBondContact O-N 2.99Å; I301-C306 HydrophobicContact CG2-CB 3.96Å; I301-C306 PolarHBondContact O-N 3.36Å; I301-L309 HydrophobicContact CD1-CD1 3.69Å; I301-L309 HydrophobicContact CG1-CD1 4.28Å; I301-L309 HydrophobicContact CG2-CD1 3.74Å; I301-I333 HydrophobicContact CG2-CD1 3.86Å; I301-F362 HydrophobicContact CB-CE1 4.1Å; I301-F362 HydrophobicContact CB-CZ 4.38Å; I301-F362 HydrophobicContact CG1-CD1 4.45Å; I301-F362 HydrophobicContact CG1-CE1 4.15Å; I301-F362 HydrophobicContact CG1-CZ 4.2Å; I301-F362 HydrophobicContact CG2-CE1 4.05Å; I301-F362 HydrophobicContact CG2-CZ 4.01Å
302S88.5Confident90.5Very high41 Ų4144.9 Ų44.929%0.28722%0.218SC..Hα-helixtrans-65.6-38.5177.3179.60000112.3C298 K299 Q300 A304 N305C298-S302 WeakPolarHBondContact O-CB 3.3Å; C298-S302 PolarHBondContact O-N 3.3Å; K299-S302 PolarHBondContact O-N 3.4Å; Q300-S302 VanDerWaalsContact C-N 3.31Å; Q300-S302 PolarHBondContact O-N 3.39Å; S302-A304 VanDerWaalsContact C-N 3.28Å; S302-A304 PolarHBondContact O-N 3.4Å; S302-N305 WeakPolarHBondContact O-CA 3.2Å; S302-N305 PolarHBondContact O-N 3.48Å
303K90.7Very high90.4Very high166 Ų16644.8 Ų44.872%0.72222%0.215SC*.Hα-helixtrans-60.7-33.6176.3-79174.8-178.9-175.90113K299 Q300 N305K299-K303 WeakPolarHBondContact O-CB 3.44Å; K299-K303 VanDerWaalsContact O-CG 3.27Å; K299-K303 WeakPolarHBondContact O-CG 3.47Å; K299-K303 PolarHBondContact O-N 3.32Å; Q300-K303 WeakPolarHBondContact O-CB 3.46Å; Q300-K303 PolarHBondContact O-N 2.95Å; K303-N305 PolarHBondContact O-N 3.28Å
304A87.6Confident90.1Very high6 Ų641.5 Ų41.55%0.0521%0.207CC..THydrogen-bonded Turntrans-76.9-1.5174.300000113.3Q300 I301 S302 F362 L367Q300-A304 PolarHBondContact O-N 3.34Å; I301-A304 PolarHBondContact O-N 2.99Å; S302-A304 VanDerWaalsContact C-N 3.28Å; S302-A304 PolarHBondContact O-N 3.4Å; A304-F362 HydrophobicContact CB-CD1 3.54Å; A304-F362 HydrophobicContact CB-CE1 3.59Å; A304-L367 HydrophobicContact CB-CD1 4.29Å; A304-L367 WeakPolarHBondContact O-CD1 3.45Å
305N88.9Confident89.7Confident96 Ų9649 Ų4951%0.51325%0.245SC..THydrogen-bonded Turntrans60.738.9-175.9-57.6-62.4000113.4R256 S302 K303R256-N305 WeakPolarHBondContact CB-O 3.37Å; R256-N305 VanDerWaalsContact CD-O 3.29Å; R256-N305 WeakPolarHBondContact CD-O 3.2Å; S302-N305 WeakPolarHBondContact O-CA 3.2Å; S302-N305 PolarHBondContact O-N 3.48Å; K303-N305 PolarHBondContact O-N 3.28Å
306C89.9Confident89.1Confident2 Ų254.2 Ų54.21%0.01427%0.272CS..  trans-78125.1173.4-175.70000110.5G258 I301 V308 I333 F362 L367G258-C306 PolarHBondContact N-SG 3.37Å; G258-C306 VanDerWaalsContact N-SG 3.45Å; I301-C306 HydrophobicContact CG2-CB 3.96Å; I301-C306 PolarHBondContact O-N 3.36Å; C306-V308 PolarHBondContact SG-O 3.36Å; C306-I333 WeakPolarHBondContact O-CD1 3.24Å; C306-I333 WeakPolarHBondContact O-CG1 3.44Å; C306-F362 HydrophobicContact CB-CE1 3.85Å; C306-F362 HydrophobicContact CB-CZ 3.71Å; C306-L367 HydrophobicContact CB-CD1 4.1Å; C306-L367 HydrophobicContact CB-CD2 4.19Å
307N90.3Very high88.6Confident61 Ų6153 Ų5333%0.32626%0.261SS..  trans-103-25-179.8-68.6-16.2000112.7V252 R256 I333 M334V252-N307 HydrophobicContact CG1-CB 3.92Å; R256-N307 PolarHBondContact O-N 2.92Å; N307-I333 WeakPolarHBondContact O-CA 3.09Å; N307-M334 PolarHBondContact O-N 3.26Å
308V90.8Very high88.2Confident0 Ų057.5 Ų57.50%029%0.286CS..EExtended strand (participates in β ladder)trans-130.8127179.1178.70000108.7V252 A255 R256 I257 G258 C306 L310 M334 I336 V373 F387V252-V308 HydrophobicContact CB-CG2 4.24Å; V252-V308 HydrophobicContact CG1-CG2 4.31Å; V252-V308 HydrophobicContact CG2-CG2 4.29Å; A255-V308 HydrophobicContact CB-CB 4.47Å; A255-V308 HydrophobicContact CB-CG2 3.62Å; R256-V308 PolarHBondContact O-N 2.71Å; R256-V308 VanDerWaalsContact O-N 3.09Å; I257-V308 CarbonylContact C-O 3.58Å; I257-V308 VanDerWaalsContact CA-O 3.28Å; I257-V308 WeakPolarHBondContact CA-O 3.29Å; I257-V308 HydrophobicContact CG1-CB 4.07Å; I257-V308 HydrophobicContact CG1-CG1 4.45Å; I257-V308 HydrophobicContact CG2-CB 4.49Å; I257-V308 HydrophobicContact CG2-CG1 4.34Å; G258-V308 PolarHBondContact N-O 3.38Å; C306-V308 PolarHBondContact SG-O 3.36Å; V308-L310 HydrophobicContact CG1-CD2 4.3Å; V308-M334 CarbonylContact C-O 3.55Å; V308-M334 WeakPolarHBondContact CA-O 3.46Å; V308-M334 HydrophobicContact CG2-CB 4.19Å; V308-I336 HydrophobicContact CG1-CD1 4.35Å; V308-V373 HydrophobicContact CG1-CG1 4.4Å; V308-V373 HydrophobicContact CG2-CB 4.19Å; V308-V373 HydrophobicContact CG2-CG1 4.24Å; V308-V373 HydrophobicContact CG2-CG2 4.2Å; V308-F387 HydrophobicContact CG1-CE1 4.21Å
309L91.5Very high87.9Confident0 Ų057.8 Ų57.80%029%0.288CS..EExtended strand (participates in β ladder)trans-122.1121.4-173.5-168.3162.8000109.6I260 L264 I301 I311 I333 M334 V335 I336I260-L309 HydrophobicContact CB-CD2 4.5Å; I260-L309 HydrophobicContact CD1-CD1 3.55Å; I260-L309 HydrophobicContact CD1-CD2 3.76Å; I260-L309 HydrophobicContact CD1-CG 3.61Å; I260-L309 HydrophobicContact CG1-CD2 4.42Å; I260-L309 HydrophobicContact CG1-CG 4.42Å; L264-L309 HydrophobicContact CD1-CD1 4.48Å; I301-L309 HydrophobicContact CD1-CD1 3.69Å; I301-L309 HydrophobicContact CG1-CD1 4.28Å; I301-L309 HydrophobicContact CG2-CD1 3.74Å; L309-I311 HydrophobicContact CD2-CB 4.47Å; L309-I311 HydrophobicContact CD2-CD1 3.46Å; L309-I311 VanDerWaalsContact CD2-CD1 3.46Å; L309-I311 HydrophobicContact CD2-CG1 3.06Å; L309-I333 HydrophobicContact CB-CG2 4.01Å; L309-M334 PolarHBondContact N-O 3.43Å; L309-V335 HydrophobicContact CD2-CG1 4.44Å; L309-V335 WeakPolarHBondContact O-CA 3.26Å; L309-I336 PolarHBondContact O-N 3.09Å
310L91.8Very high87.6Confident0 Ų054.2 Ų54.20%028%0.275CS..EExtended strand (participates in β ladder)trans-103.9119.4-178.9-64.3-168.2000108.8L238 I257 G258 L259 I260 V308 I336 I339 I347 L351 F387L238-L310 HydrophobicContact CD1-CD1 4.44Å; L238-L310 HydrophobicContact CD1-CD2 4.07Å; I257-L310 HydrophobicContact CG2-CD1 3.7Å; I257-L310 HydrophobicContact CG2-CG 3.77Å; G258-L310 PolarHBondContact O-N 2.75Å; L259-L310 HydrophobicContact CB-CB 4.46Å; L259-L310 HydrophobicContact CG-CB 4.33Å; I260-L310 PolarHBondContact N-O 3.23Å; V308-L310 HydrophobicContact CG1-CD2 4.3Å; L310-I336 HydrophobicContact CD2-CB 3.77Å; L310-I336 HydrophobicContact CD2-CD1 3.63Å; L310-I336 HydrophobicContact CD2-CG1 4.2Å; L310-I336 HydrophobicContact CD2-CG2 4.32Å; L310-I339 HydrophobicContact CB-CD1 3.38Å; L310-I339 HydrophobicContact CD1-CD1 4.2Å; L310-I339 HydrophobicContact CD2-CD1 3.92Å; L310-I339 HydrophobicContact CG-CD1 4Å; L310-I347 HydrophobicContact CD1-CG2 3.61Å; L310-L351 HydrophobicContact CD1-CD1 4.01Å; L310-F387 HydrophobicContact CD2-CZ 4.01Å
311I91.5Very high87.5Confident1 Ų151.8 Ų51.81%0.00527%0.265CS..EExtended strand (participates in β ladder)trans-113.2124.7-177.2-52.9177.2000109.6L264 L309 A319 V320 V335 I336 D338 I339L264-I311 HydrophobicContact CD1-CD1 3.73Å; L264-I311 HydrophobicContact CG-CD1 4.3Å; L309-I311 HydrophobicContact CD2-CB 4.47Å; L309-I311 HydrophobicContact CD2-CD1 3.46Å; L309-I311 VanDerWaalsContact CD2-CD1 3.46Å; L309-I311 HydrophobicContact CD2-CG1 3.06Å; I311-A319 HydrophobicContact CG2-CB 3.98Å; I311-V320 HydrophobicContact CD1-CG2 3.36Å; I311-V335 HydrophobicContact CD1-CG1 3.74Å; I311-V335 HydrophobicContact CG1-CG1 4.4Å; I311-I336 PolarHBondContact N-O 2.96Å; I311-D338 PolarHBondContact O-N 3.48Å; I311-I339 PolarHBondContact O-N 3.06Å; I311-I339 VanDerWaalsContact O-N 3.14Å
312Q90.9Very high87.3Confident32 Ų3258.3 Ų58.315%0.1530%0.3CS..EExtended strand (participates in β ladder)trans-63.4140.6172.6-172.8178.4-13.200111I260 S314 V344I260-Q312 PolarHBondContact O-N 3.34Å; Q312-S314 PolarHBondContact O-N 3.25Å; Q312-V344 HydrophobicContact CG-CG2 4.2Å
313K88.8Confident87.2Confident115 Ų11560 Ų6050%0.531%0.305SS..  trans-59.5124.4173.6-169.2176.1-179.2178.80110.2I339K313-I339 WeakPolarHBondContact CB-O 3.35Å; K313-I339 PolarHBondContact N-O 3.5Å
314S85.1Confident87.1Confident29 Ų2952.1 Ų52.120%0.20327%0.271CS..  trans-114.6119.7175.4165.10000108.6Q263 Q312 R317Q263-S314 PolarHBondContact NE2-OG 2.88Å; Q312-S314 PolarHBondContact O-N 3.25Å; S314-R317 WeakPolarHBondContact CB-O 3.28Å; S314-R317 PolarHBondContact OG-N 3.33Å; S314-R317 PolarHBondContact OG-O 3.23Å
315I81.8Confident87.1Confident160 Ų16052.6 Ų52.682%0.82127%0.273SS*.SBendtrans-85.6-29.8178.6-55168.1000110.6
316L80.1Confident87.1Confident161 Ų16151.9 Ų51.984%0.84327%0.266SS*.SBendtrans-74.9-30.3-174.6-61.8174.3000113
317R79.8Confident87.1Confident58 Ų5853.8 Ų53.822%0.21927%0.274CS..SBendtrans-147.5150.5-172.7-59.6179.7-174.9-158.8-2.4109.6Q263 K268 D270 S314 A319Q263-R317 HydrophobicContact CG-CB 4.11Å; K268-R317 VanDerWaalsContact O-CZ 3.22Å; K268-R317 PolarHBondContact O-NH1 3.04Å; K268-R317 PolarHBondContact O-NH2 3.5Å; K268-R317 VanDerWaalsContact O-NH2 3.09Å; D270-R317 IonicContact OD1-CZ 3.58Å; D270-R317 IonicContact OD1-NE 2.76Å; D270-R317 IonicContact OD1-NH2 2.69Å; D270-R317 PolarHBondContact OD1-NH2 3.22Å; D270-R317 IonicContact OD2-NH2 3.64Å; S314-R317 WeakPolarHBondContact CB-O 3.28Å; S314-R317 PolarHBondContact OG-N 3.33Å; S314-R317 PolarHBondContact OG-O 3.23Å; R317-A319 PolarHBondContact O-N 3.31Å; R317-A319 VanDerWaalsContact O-N 3.11Å
318D82.9Confident87Confident100 Ų10051 Ų5154%0.53526%0.258SS..  trans-56.2115.9172.1-60.4-47.2000110V320D318-V320 PolarHBondContact O-N 3.3Å
319A82.7Confident86.8Confident9 Ų951.5 Ų51.57%0.07426%0.264CS..SBendtrans-62-31.7-17900000112.1L264 I311 R317L264-A319 PolarHBondContact N-O 3.36Å; I311-A319 HydrophobicContact CG2-CB 3.98Å; R317-A319 PolarHBondContact O-N 3.31Å; R317-A319 VanDerWaalsContact O-N 3.11Å
320V85.9Confident86.6Confident21 Ų2158.5 Ų58.513%0.12730%0.295CS..BIsolated β-bridgetrans-147.6140.9-176.9-1620000110.2I311 D318 S324 L325 K337I311-V320 HydrophobicContact CD1-CG2 3.36Å; D318-V320 PolarHBondContact O-N 3.3Å; V320-S324 WeakPolarHBondContact CG1-OG 3.42Å; V320-L325 HydrophobicContact CG1-CD1 4.27Å; V320-L325 HydrophobicContact CG1-CD2 3.65Å; V320-L325 HydrophobicContact CG1-CG 3.57Å; V320-K337 HydrophobicContact CG2-CB 4.14Å
321T86.8Confident86.4Confident28 Ų2862.5 Ų62.517%0.17231%0.314CS..  trans-105.2154.5171.452.90000112.6L264 P266 L323 S324 L325L264-T321 PolarHBondContact O-N 3.29Å; L264-T321 PolarHBondContact O-OG1 3.42Å; P266-T321 VanDerWaalsContact CD-CG2 3.5Å; P266-T321 HydrophobicContact CG-CG2 4.44Å; T321-L323 PolarHBondContact O-N 3.25Å; T321-S324 PolarHBondContact N-OG 2.81Å; T321-S324 VanDerWaalsContact N-OG 3.1Å; T321-S324 PolarHBondContact O-N 2.8Å; T321-S324 PolarHBondContact O-OG 2.89Å; T321-S324 PolarHBondContact OG1-OG 3.01Å; T321-L325 PolarHBondContact O-N 2.99Å
322D86.4Confident86.2Confident138 Ų13870 Ų7074%0.73835%0.347SS*.Hα-helixtrans-57.6-35.2-179.9-67.6-30.6000113.1L325 H326D322-L325 PolarHBondContact O-N 2.84Å; D322-H326 WeakPolarHBondContact O-CB 3.44Å; D322-H326 PolarHBondContact O-N 3.39Å
323L87.9Confident86.1Confident76 Ų7668.7 Ų68.740%0.39834%0.341SS..Hα-helixtrans-63.2-44174.2-68.7176.9000112R291 L294 T321 H326 Y327R291-L323 HydrophobicContact CG-CD1 4.39Å; L294-L323 HydrophobicContact CD1-CB 4.09Å; T321-L323 PolarHBondContact O-N 3.25Å; L323-H326 PolarHBondContact O-N 2.86Å; L323-Y327 WeakPolarHBondContact O-CD2 3.34Å; L323-Y327 PolarHBondContact O-N 3.37Å
324S87.6Confident86.1Confident1 Ų163.3 Ų63.31%0.00732%0.317CS..Hα-helixtrans-65-40177.169.80000111.8L264 V320 T321 H326 Y327 L328L264-S324 PolarHBondContact O-OG 2.8Å; V320-S324 WeakPolarHBondContact CG1-OG 3.42Å; T321-S324 PolarHBondContact N-OG 2.81Å; T321-S324 VanDerWaalsContact N-OG 3.1Å; T321-S324 PolarHBondContact O-N 2.8Å; T321-S324 PolarHBondContact O-OG 2.89Å; T321-S324 PolarHBondContact OG1-OG 3.01Å; S324-H326 VanDerWaalsContact C-N 3.32Å; S324-H326 PolarHBondContact O-N 3.22Å; S324-Y327 PolarHBondContact O-N 3.07Å; S324-L328 WeakPolarHBondContact O-CB 3.48Å; S324-L328 VanDerWaalsContact O-CG 3.28Å; S324-L328 WeakPolarHBondContact O-CG 3.29Å; S324-L328 PolarHBondContact O-N 3.26Å
325L87.9Confident86.3Confident16 Ų1662 Ų628%0.08431%0.308CS..Hα-helixtrans-61.9-39.4174.1-71.4169.7000112.3V243 V320 T321 D322 G329 V335V243-L325 HydrophobicContact CB-CD2 4.29Å; V243-L325 HydrophobicContact CG1-CD1 3.45Å; V243-L325 VanDerWaalsContact CG1-CD1 3.45Å; V243-L325 HydrophobicContact CG1-CD2 3.82Å; V243-L325 HydrophobicContact CG1-CG 4.28Å; V320-L325 HydrophobicContact CG1-CD1 4.27Å; V320-L325 HydrophobicContact CG1-CD2 3.65Å; V320-L325 HydrophobicContact CG1-CG 3.57Å; T321-L325 PolarHBondContact O-N 2.99Å; D322-L325 PolarHBondContact O-N 2.84Å; L325-G329 PolarHBondContact O-N 3.39Å; L325-V335 HydrophobicContact CD2-CB 4.32Å; L325-V335 HydrophobicContact CD2-CG1 4.33Å
326H88.5Confident86.7Confident81 Ų8154.4 Ų54.438%0.37527%0.269SS..Hα-helixtrans-66.6-41.8177173.9-105000111.9D322 L323 S324 G329 K330D322-H326 WeakPolarHBondContact O-CB 3.44Å; D322-H326 PolarHBondContact O-N 3.39Å; L323-H326 PolarHBondContact O-N 2.86Å; S324-H326 VanDerWaalsContact C-N 3.32Å; S324-H326 PolarHBondContact O-N 3.22Å; H326-G329 PolarHBondContact O-N 2.96Å; H326-K330 WeakPolarHBondContact CE1-CE 3.27Å; H326-K330 PolarHBondContact CE1-NZ 2.93Å; H326-K330 WeakPolarHBondContact NE2-CE 3.09Å; H326-K330 PolarHBondContact O-N 3.37Å
327Y89.8Confident87.1Confident43 Ų4350 Ų5017%0.16924%0.244CC..Hα-helixtrans-65.8-44174.6-65.8-39000112.5L294 L295 L323 S324 G329 K330 M331L294-Y327 HydrophobicContact CB-CD2 4.45Å; L294-Y327 HydrophobicContact CB-CE2 4.34Å; L295-Y327 HydrophobicContact CB-CD2 4.34Å; L295-Y327 HydrophobicContact CB-CE2 4.06Å; L295-Y327 HydrophobicContact CD1-CE1 4.26Å; L323-Y327 WeakPolarHBondContact O-CD2 3.34Å; L323-Y327 PolarHBondContact O-N 3.37Å; S324-Y327 PolarHBondContact O-N 3.07Å; Y327-G329 VanDerWaalsContact C-N 3.32Å; Y327-G329 PolarHBondContact O-N 3.41Å; Y327-K330 PolarHBondContact O-N 3.46Å; Y327-M331 WeakPolarHBondContact O-CG 3.04Å; Y327-M331 PolarHBondContact O-N 3.13Å
328L89.3Confident87.4Confident1 Ų150.5 Ų50.51%0.00525%0.25CS..Hα-helixtrans-64.3-37.9176.2-68.2169.2000111.9L264 C298 S324 M331 K332 I333 V335L264-L328 HydrophobicContact CD1-CD1 3.73Å; C298-L328 HydrophobicContact CB-CD2 4.36Å; S324-L328 WeakPolarHBondContact O-CB 3.48Å; S324-L328 VanDerWaalsContact O-CG 3.28Å; S324-L328 WeakPolarHBondContact O-CG 3.29Å; S324-L328 PolarHBondContact O-N 3.26Å; L328-M331 CarbonylContact O-C 3.48Å; L328-M331 PolarHBondContact O-N 2.91Å; L328-K332 PolarHBondContact O-N 2.99Å; L328-K332 VanDerWaalsContact O-N 3.15Å; L328-I333 HydrophobicContact CB-CB 4.41Å; L328-I333 HydrophobicContact CD2-CB 4.31Å; L328-I333 HydrophobicContact CD2-CD1 3.89Å; L328-I333 HydrophobicContact CD2-CG2 4.39Å; L328-I333 PolarHBondContact O-N 3.23Å; L328-V335 HydrophobicContact CB-CG2 3.91Å; L328-V335 HydrophobicContact CD1-CG2 3.47Å; L328-V335 VanDerWaalsContact CD1-CG2 3.47Å; L328-V335 HydrophobicContact CG-CG2 4.24Å
329G86.8Confident87.7Confident12 Ų1245.8 Ų45.812%0.12423%0.225CC..Hα-helixtrans-61.5-43.4173.100000112.8L325 H326 Y327 M331 K332L325-G329 PolarHBondContact O-N 3.39Å; H326-G329 PolarHBondContact O-N 2.96Å; Y327-G329 VanDerWaalsContact C-N 3.32Å; Y327-G329 PolarHBondContact O-N 3.41Å; G329-M331 VanDerWaalsContact C-N 3.29Å; G329-M331 PolarHBondContact O-N 3.43Å; G329-K332 PolarHBondContact O-N 3.22Å
330K87.3Confident88Confident147 Ų14750.7 Ų50.764%0.63925%0.247SC*.Hα-helixtrans-61.9-35.5173.5-78.3-175.3172.9-177.90112.8H326 Y327 K332H326-K330 WeakPolarHBondContact CE1-CE 3.27Å; H326-K330 PolarHBondContact CE1-NZ 2.93Å; H326-K330 WeakPolarHBondContact NE2-CE 3.09Å; H326-K330 PolarHBondContact O-N 3.37Å; Y327-K330 PolarHBondContact O-N 3.46Å; K330-K332 PolarHBondContact O-N 2.77Å
331M87.5Confident88.1Confident84 Ų8459.4 Ų59.441%0.41428%0.277SS..THydrogen-bonded Turntrans-79.32.1175-61.7-60-166.100113.4K299 Y327 L328 G329 I333K299-M331 HydrophobicContact CG-CE 4.42Å; Y327-M331 WeakPolarHBondContact O-CG 3.04Å; Y327-M331 PolarHBondContact O-N 3.13Å; L328-M331 CarbonylContact O-C 3.48Å; L328-M331 PolarHBondContact O-N 2.91Å; G329-M331 VanDerWaalsContact C-N 3.29Å; G329-M331 PolarHBondContact O-N 3.43Å; M331-I333 VanDerWaalsContact C-N 3.28Å; M331-I333 HydrophobicContact CB-CD1 4.06Å; M331-I333 HydrophobicContact CB-CG1 4.05Å; M331-I333 PolarHBondContact O-N 2.86Å
332K86.3Confident88Confident158 Ų15866 Ų6669%0.68731%0.306SS*.THydrogen-bonded Turntrans5736.4-176.6-57.7178.4178.71780113.6P249 L328 G329 K330P249-K332 WeakPolarHBondContact CG-O 3.47Å; L328-K332 PolarHBondContact O-N 2.99Å; L328-K332 VanDerWaalsContact O-N 3.15Å; G329-K332 PolarHBondContact O-N 3.22Å; K330-K332 PolarHBondContact O-N 2.77Å
333I89.3Confident88Confident4 Ų461.3 Ų61.32%0.02128%0.281CS..  trans-95128.1175.5-59.4178.3000108.9I301 C306 N307 L309 L328 M331I301-I333 HydrophobicContact CG2-CD1 3.86Å; C306-I333 WeakPolarHBondContact O-CD1 3.24Å; C306-I333 WeakPolarHBondContact O-CG1 3.44Å; N307-I333 WeakPolarHBondContact O-CA 3.09Å; L309-I333 HydrophobicContact CB-CG2 4.01Å; L328-I333 HydrophobicContact CB-CB 4.41Å; L328-I333 HydrophobicContact CD2-CB 4.31Å; L328-I333 HydrophobicContact CD2-CD1 3.89Å; L328-I333 HydrophobicContact CD2-CG2 4.39Å; L328-I333 PolarHBondContact O-N 3.23Å; M331-I333 VanDerWaalsContact C-N 3.28Å; M331-I333 HydrophobicContact CB-CD1 4.06Å; M331-I333 HydrophobicContact CB-CG1 4.05Å; M331-I333 PolarHBondContact O-N 2.86Å
334M88.8Confident88Confident2 Ų258 Ų581%0.0126%0.264CS..EExtended strand (participates in β ladder)trans-78.4128.6171.4-178.6-173.3-75.800109.2P249 T250 V252 N307 V308 L309 I336 V373P249-M334 HydrophobicContact CG-CB 4.43Å; P249-M334 WeakPolarHBondContact O-CE 3.44Å; T250-M334 VanDerWaalsContact O-CE 3.22Å; T250-M334 WeakPolarHBondContact O-CE 3.28Å; V252-M334 HydrophobicContact CG2-CB 4.23Å; V252-M334 HydrophobicContact CG2-CE 4.09Å; N307-M334 PolarHBondContact O-N 3.26Å; V308-M334 CarbonylContact C-O 3.55Å; V308-M334 WeakPolarHBondContact CA-O 3.46Å; V308-M334 HydrophobicContact CG2-CB 4.19Å; L309-M334 PolarHBondContact N-O 3.43Å; M334-I336 HydrophobicContact SD-CD1 4.31Å; M334-V373 HydrophobicContact SD-CG1 3.88Å
335V90.1Very high88Confident3 Ų364.4 Ų64.42%0.01829%0.294CS..EExtended strand (participates in β ladder)trans-114.8131.3179.2-175.70000109.9S242 V243 L309 I311 L325 L328S242-V335 WeakPolarHBondContact CA-O 3.39Å; V243-V335 PolarHBondContact N-O 3.01Å; L309-V335 HydrophobicContact CD2-CG1 4.44Å; L309-V335 WeakPolarHBondContact O-CA 3.26Å; I311-V335 HydrophobicContact CD1-CG1 3.74Å; I311-V335 HydrophobicContact CG1-CG1 4.4Å; L325-V335 HydrophobicContact CD2-CB 4.32Å; L325-V335 HydrophobicContact CD2-CG1 4.33Å; L328-V335 HydrophobicContact CB-CG2 3.91Å; L328-V335 HydrophobicContact CD1-CG2 3.47Å; L328-V335 VanDerWaalsContact CD1-CG2 3.47Å; L328-V335 HydrophobicContact CG-CG2 4.24Å
336I89.2Confident87.8Confident0 Ų064.1 Ų64.10%029%0.292CS..EExtended strand (participates in β ladder)trans-123.3116174.7-59.3165.3000106.3L238 T240 V308 L309 L310 I311 M334 V385 F387L238-I336 HydrophobicContact CD1-CG2 4.41Å; T240-I336 WeakPolarHBondContact OG1-CG2 3.48Å; V308-I336 HydrophobicContact CG1-CD1 4.35Å; L309-I336 PolarHBondContact O-N 3.09Å; L310-I336 HydrophobicContact CD2-CB 3.77Å; L310-I336 HydrophobicContact CD2-CD1 3.63Å; L310-I336 HydrophobicContact CD2-CG1 4.2Å; L310-I336 HydrophobicContact CD2-CG2 4.32Å; I311-I336 PolarHBondContact N-O 2.96Å; M334-I336 HydrophobicContact SD-CD1 4.31Å; I336-V385 HydrophobicContact CD1-CB 3.96Å; I336-V385 HydrophobicContact CD1-CG1 3.65Å; I336-V385 HydrophobicContact CD1-CG2 3.73Å; I336-V385 HydrophobicContact CG1-CG2 4.2Å; I336-F387 HydrophobicContact CD1-CZ 3.87Å
337K88Confident87.8Confident69 Ų6960.3 Ų60.330%0.327%0.274SS..EExtended strand (participates in β ladder)trans-102.6173.4179.570174.3-158-177.20110.8V243 V320V243-K337 HydrophobicContact CB-CD 4.2Å; V243-K337 HydrophobicContact CB-CG 4.28Å; V243-K337 HydrophobicContact CG1-CD 4.43Å; V243-K337 HydrophobicContact CG2-CD 3.65Å; V243-K337 HydrophobicContact CG2-CG 3.61Å; V320-K337 HydrophobicContact CG2-CB 4.14Å
338D86.7Confident87.7Confident67 Ų6759.8 Ų59.836%0.35828%0.277SS..EExtended strand (participates in β ladder)trans65.236.1173.1-54-35.8000114.4T240 I311T240-D338 WeakPolarHBondContact CG2-O 3.25Å; I311-D338 PolarHBondContact O-N 3.48Å
339I89.5Confident87.5Confident1 Ų163.6 Ų63.61%0.00529%0.293CS..EExtended strand (participates in β ladder)trans-73.8130.1173.2-62.5171000109.5L238 L310 I311 K313 D343 V344 I347L238-I339 HydrophobicContact CD1-CD1 4.3Å; L310-I339 HydrophobicContact CB-CD1 3.38Å; L310-I339 HydrophobicContact CD1-CD1 4.2Å; L310-I339 HydrophobicContact CD2-CD1 3.92Å; L310-I339 HydrophobicContact CG-CD1 4Å; I311-I339 PolarHBondContact O-N 3.06Å; I311-I339 VanDerWaalsContact O-N 3.14Å; K313-I339 WeakPolarHBondContact CB-O 3.35Å; K313-I339 PolarHBondContact N-O 3.5Å; I339-D343 HydrophobicContact CG2-CB 4.2Å; I339-V344 HydrophobicContact CG2-CG2 4.2Å; I339-I347 HydrophobicContact CD1-CD1 4.35Å; I339-I347 HydrophobicContact CG2-CD1 3.53Å
340E88.3Confident87.4Confident113 Ų11363 Ų6353%0.52829%0.287SS..  trans-68.3149.2178.8-60-162.7160.500111.3E342 D343 V344E340-E342 VanDerWaalsContact C-N 3.26Å; E340-E342 PolarHBondContact O-N 3.21Å; E340-D343 PolarHBondContact O-N 3.31Å; E340-V344 PolarHBondContact O-N 3.03Å
341R88Confident87.3Confident204 Ų20456.1 Ų56.177%0.7726%0.257SS*.Hα-helixtrans-63.5-35.5-177-177.4174.3179.1169.1-0.3112.1D343 V344R341-D343 VanDerWaalsContact C-N 3.32Å; R341-V344 WeakPolarHBondContact O-CB 3.28Å; R341-V344 PolarHBondContact O-N 3.26Å
342E85.3Confident87.2Confident166 Ų16656.3 Ų56.378%0.77626%0.26SS*.Hα-helixtrans-67.4-36.1179.5-59.2-175.5-174.800111.2E340 V344E340-E342 VanDerWaalsContact C-N 3.26Å; E340-E342 PolarHBondContact O-N 3.21Å; E342-V344 VanDerWaalsContact C-N 3.31Å; E342-V344 PolarHBondContact O-N 3.45Å
343D85.9Confident87.2Confident39 Ų3948.9 Ų48.921%0.20923%0.228CC..Hα-helixtrans-71.5-22.4178-69-20.3000113.3I339 E340 R341 E345 F346 I347I339-D343 HydrophobicContact CG2-CB 4.2Å; E340-D343 PolarHBondContact O-N 3.31Å; R341-D343 VanDerWaalsContact C-N 3.32Å; D343-E345 VanDerWaalsContact C-N 3.3Å; D343-E345 PolarHBondContact O-N 2.95Å; D343-F346 WeakPolarHBondContact O-CB 3.41Å; D343-F346 PolarHBondContact O-N 3.16Å; D343-F346 VanDerWaalsContact O-N 3.15Å; D343-I347 HydrophobicContact CB-CD1 4.08Å; D343-I347 WeakPolarHBondContact O-CB 3.25Å; D343-I347 WeakPolarHBondContact O-CD1 2.94Å; D343-I347 WeakPolarHBondContact O-CG1 3.49Å; D343-I347 PolarHBondContact O-N 2.97Å
344V88.4Confident87.2Confident8 Ų857.5 Ų57.55%0.04826%0.26CS..Hα-helixtrans-58.5-42.3-178.4171.70000111.7L259 Q312 I339 E340 R341 E342 S348 P355L259-V344 HydrophobicContact CD1-CG1 4.01Å; L259-V344 HydrophobicContact CD2-CG1 3.67Å; L259-V344 HydrophobicContact CD2-CG2 4.38Å; Q312-V344 HydrophobicContact CG-CG2 4.2Å; I339-V344 HydrophobicContact CG2-CG2 4.2Å; E340-V344 PolarHBondContact O-N 3.03Å; R341-V344 WeakPolarHBondContact O-CB 3.28Å; R341-V344 PolarHBondContact O-N 3.26Å; E342-V344 VanDerWaalsContact C-N 3.31Å; E342-V344 PolarHBondContact O-N 3.45Å; V344-S348 WeakPolarHBondContact O-CB 3.35Å; V344-S348 PolarHBondContact O-N 3.17Å; V344-P355 HydrophobicContact CG1-CB 4.22Å
345E86.2Confident87.3Confident134 Ų13459.6 Ų59.663%0.62627%0.274SS*.Hα-helixtrans-65.7-40.9178.2-67-174.7-179.600111.5D343 S348 K349D343-E345 VanDerWaalsContact C-N 3.3Å; D343-E345 PolarHBondContact O-N 2.95Å; E345-S348 PolarHBondContact O-N 3.44Å; E345-K349 WeakPolarHBondContact O-CG 3.39Å; E345-K349 PolarHBondContact O-N 3.17Å; E345-K349 VanDerWaalsContact O-N 3.09Å
346F85.2Confident87.4Confident11 Ų1159.6 Ų59.65%0.04827%0.274CS..Hα-helixtrans-65.6-48178.5175.5-98.7000111.7N198 L200 D343 S348 K349 I350 A396 V397N198-F346 WeakPolarHBondContact O-CE2 3.39Å; L200-F346 HydrophobicContact CB-CD1 4Å; L200-F346 HydrophobicContact CB-CD2 4.21Å; L200-F346 HydrophobicContact CB-CE1 3.35Å; L200-F346 HydrophobicContact CB-CE2 3.6Å; L200-F346 HydrophobicContact CB-CG 4.37Å; L200-F346 HydrophobicContact CB-CZ 3.1Å; L200-F346 HydrophobicContact CD2-CD1 3.79Å; L200-F346 HydrophobicContact CD2-CE1 3.47Å; L200-F346 VanDerWaalsContact CD2-CE1 3.47Å; L200-F346 HydrophobicContact CD2-CZ 4.17Å; L200-F346 HydrophobicContact CG-CD1 4.44Å; L200-F346 HydrophobicContact CG-CE1 4.04Å; L200-F346 HydrophobicContact CG-CZ 4.25Å; D343-F346 WeakPolarHBondContact O-CB 3.41Å; D343-F346 PolarHBondContact O-N 3.16Å; D343-F346 VanDerWaalsContact O-N 3.15Å; F346-S348 VanDerWaalsContact C-N 3.32Å; F346-S348 PolarHBondContact O-N 3.04Å; F346-K349 PolarHBondContact O-N 3.36Å; F346-I350 HydrophobicContact CD1-CD1 4.06Å; F346-I350 HydrophobicContact CD2-CD1 4.43Å; F346-I350 HydrophobicContact CE1-CD1 3.27Å; F346-I350 HydrophobicContact CE1-CG1 4.22Å; F346-I350 HydrophobicContact CE2-CD1 3.71Å; F346-I350 HydrophobicContact CE2-CG1 4.3Å; F346-I350 HydrophobicContact CZ-CD1 3.07Å; F346-I350 HydrophobicContact CZ-CG1 4.07Å; F346-I350 PolarHBondContact O-N 3.47Å; F346-A396 HydrophobicContact CD2-CB 4.27Å; F346-A396 HydrophobicContact CE2-CB 3.95Å; F346-V397 WeakPolarHBondContact CZ-O 3.47Å
347I87.3Confident87.4Confident1 Ų162.2 Ų62.21%0.00530%0.295CS..Hα-helixtrans-62.6-41.9177.6-65.2164.6000110.6L238 L259 L310 I339 D343 K349 I350 L351L238-I347 HydrophobicContact CD1-CD1 4.24Å; L238-I347 HydrophobicContact CD2-CD1 3.51Å; L238-I347 HydrophobicContact CD2-CG1 3.89Å; L259-I347 HydrophobicContact CD1-CB 4.13Å; L259-I347 HydrophobicContact CD1-CG2 3.79Å; L310-I347 HydrophobicContact CD1-CG2 3.61Å; I339-I347 HydrophobicContact CD1-CD1 4.35Å; I339-I347 HydrophobicContact CG2-CD1 3.53Å; D343-I347 HydrophobicContact CB-CD1 4.08Å; D343-I347 WeakPolarHBondContact O-CB 3.25Å; D343-I347 WeakPolarHBondContact O-CD1 2.94Å; D343-I347 WeakPolarHBondContact O-CG1 3.49Å; D343-I347 PolarHBondContact O-N 2.97Å; I347-K349 VanDerWaalsContact C-N 3.32Å; I347-K349 PolarHBondContact O-N 3.45Å; I347-I350 PolarHBondContact O-N 2.85Å; I347-L351 HydrophobicContact CG2-CD1 3.56Å; I347-L351 HydrophobicContact CG2-CG 4.2Å; I347-L351 WeakPolarHBondContact O-CB 3.47Å; I347-L351 PolarHBondContact O-N 3.13Å
348S87.7Confident87.3Confident31 Ų3161.4 Ų61.422%0.21730%0.298CS..Hα-helixtrans-58.3-44176.91800000111.7V344 E345 F346 N352 C353V344-S348 WeakPolarHBondContact O-CB 3.35Å; V344-S348 PolarHBondContact O-N 3.17Å; E345-S348 PolarHBondContact O-N 3.44Å; F346-S348 VanDerWaalsContact C-N 3.32Å; F346-S348 PolarHBondContact O-N 3.04Å; S348-N352 WeakPolarHBondContact O-CA 3.21Å; S348-N352 PolarHBondContact O-N 2.95Å; S348-C353 WeakPolarHBondContact CA-O 3.48Å; S348-C353 WeakPolarHBondContact CB-O 3.35Å; S348-C353 PolarHBondContact O-N 3.17Å; S348-C353 PolarHBondContact OG-O 3.09Å
349K85.3Confident87.2Confident82 Ų8260 Ų6036%0.35729%0.291SS..Hα-helixtrans-67-48.2175.7-73.1172.5175.9175.60112.4N198 E345 F346 I347 N352 G394 A396N198-K349 PolarHBondContact OD1-NZ 3.35Å; E345-K349 WeakPolarHBondContact O-CG 3.39Å; E345-K349 PolarHBondContact O-N 3.17Å; E345-K349 VanDerWaalsContact O-N 3.09Å; F346-K349 PolarHBondContact O-N 3.36Å; I347-K349 VanDerWaalsContact C-N 3.32Å; I347-K349 PolarHBondContact O-N 3.45Å; K349-N352 PolarHBondContact O-OD1 3.25Å; K349-G394 VanDerWaalsContact O-CA 3.23Å; K349-G394 WeakPolarHBondContact O-CA 3.39Å; K349-G394 PolarHBondContact O-N 3.35Å; K349-A396 HydrophobicContact CB-CB 4.49Å
350I85.2Confident86.9Confident0 Ų066.6 Ų66.60%033%0.326CS..Hα-helixtrans-62.6-52.3-177.9-71.8-169000111.3A236 F346 I347 N352 V390 A396A236-I350 HydrophobicContact CB-CD1 4.21Å; A236-I350 HydrophobicContact CB-CG2 4.02Å; F346-I350 HydrophobicContact CD1-CD1 4.06Å; F346-I350 HydrophobicContact CD2-CD1 4.43Å; F346-I350 HydrophobicContact CE1-CD1 3.27Å; F346-I350 HydrophobicContact CE1-CG1 4.22Å; F346-I350 HydrophobicContact CE2-CD1 3.71Å; F346-I350 HydrophobicContact CE2-CG1 4.3Å; F346-I350 HydrophobicContact CZ-CD1 3.07Å; F346-I350 HydrophobicContact CZ-CG1 4.07Å; F346-I350 PolarHBondContact O-N 3.47Å; I347-I350 PolarHBondContact O-N 2.85Å; I350-N352 VanDerWaalsContact C-N 3.3Å; I350-N352 PolarHBondContact O-N 3.24Å; I350-V390 WeakPolarHBondContact O-CG1 3.29Å; I350-A396 HydrophobicContact CD1-CB 3.92Å; I350-A396 HydrophobicContact CG1-CB 3.28Å
351L85Confident86.8Confident2 Ų267 Ų671%0.0133%0.327CS..Hα-helixtrans-84.2-5.4-172.2-60.4179.6000113.2I257 L310 I347 C353 G368 F387 V390I257-L351 HydrophobicContact CB-CD1 4.3Å; I257-L351 HydrophobicContact CD1-CD1 3.74Å; I257-L351 HydrophobicContact CD1-CD2 3.75Å; I257-L351 HydrophobicContact CD1-CG 4.3Å; I257-L351 HydrophobicContact CG2-CD1 3.81Å; L310-L351 HydrophobicContact CD1-CD1 4.01Å; I347-L351 HydrophobicContact CG2-CD1 3.56Å; I347-L351 HydrophobicContact CG2-CG 4.2Å; I347-L351 WeakPolarHBondContact O-CB 3.47Å; I347-L351 PolarHBondContact O-N 3.13Å; L351-C353 HydrophobicContact CB-CB 4.37Å; L351-C353 PolarHBondContact O-N 3.29Å; L351-G368 VanDerWaalsContact O-CA 3.25Å; L351-G368 WeakPolarHBondContact O-CA 3.28Å; L351-F387 HydrophobicContact CD2-CB 4.34Å; L351-F387 HydrophobicContact CD2-CD1 4.25Å; L351-F387 HydrophobicContact CD2-CG 4.42Å; L351-V390 HydrophobicContact CD2-CG2 3.91Å
352N85.2Confident86.7Confident87 Ų8758.1 Ų58.147%0.46530%0.295SS..THydrogen-bonded Turntrans48.638.3-167.4-64.2-45.1000112.7S348 K349 I350 N392S348-N352 WeakPolarHBondContact O-CA 3.21Å; S348-N352 PolarHBondContact O-N 2.95Å; K349-N352 PolarHBondContact O-OD1 3.25Å; I350-N352 VanDerWaalsContact C-N 3.3Å; I350-N352 PolarHBondContact O-N 3.24Å; N352-N392 WeakPolarHBondContact ND2-CB 3.49Å; N352-N392 PolarHBondContact ND2-O 2.93Å
353C87Confident86.8Confident2 Ų253.1 Ų53.11%0.01428%0.276CS..PPolyproline II helixtrans-97139.8176.165.10000110.5S348 L351S348-C353 WeakPolarHBondContact CA-O 3.48Å; S348-C353 WeakPolarHBondContact CB-O 3.35Å; S348-C353 PolarHBondContact O-N 3.17Å; S348-C353 PolarHBondContact OG-O 3.09Å; L351-C353 HydrophobicContact CB-CB 4.37Å; L351-C353 PolarHBondContact O-N 3.29Å
354R89.1Confident86.8Confident186 Ų18655 Ų5570%0.70229%0.29SS*.PPolyproline II helixtrans-84.4130.8173.5-175.7176.6177.1171.7-0.6109I356 A366R354-I356 WeakPolarHBondContact O-CG1 3.41Å; R354-I356 PolarHBondContact O-N 2.87Å; R354-A366 HydrophobicContact CB-CB 4.18Å; R354-A366 PolarHBondContact N-O 3.02Å
355P91.4Very high86.7Confident45 Ų4563.4 Ų63.429%0.29233%0.328SS..EExtended strand (participates in β ladder)trans-62.9128.9171.825.8-33.6000110.3L259 Q261 V344L259-P355 HydrophobicContact CD2-CB 3.85Å; Q261-P355 HydrophobicContact CG-CB 4.29Å; V344-P355 HydrophobicContact CG1-CB 4.22Å
356I92.3Very high86.8Confident3 Ų357.3 Ų57.32%0.01530%0.301CS..EExtended strand (participates in β ladder)trans-106.2111.6-174.5-54.5169.2000109L259 Q261 F262 R354 S358 H361 F362 A366L259-I356 WeakPolarHBondContact O-CB 3.27Å; L259-I356 PolarHBondContact O-N 3.12Å; Q261-I356 PolarHBondContact N-O 3.01Å; F262-I356 HydrophobicContact CE1-CG2 4.22Å; R354-I356 WeakPolarHBondContact O-CG1 3.41Å; R354-I356 PolarHBondContact O-N 2.87Å; I356-S358 WeakPolarHBondContact CG2-O 3.35Å; I356-H361 HydrophobicContact CG2-CB 4.09Å; I356-F362 HydrophobicContact CD1-CD2 3.32Å; I356-F362 HydrophobicContact CD1-CE2 3.6Å; I356-F362 HydrophobicContact CD1-CG 4.17Å; I356-F362 HydrophobicContact CG1-CD2 4.47Å; I356-F362 HydrophobicContact CG2-CB 4.46Å; I356-F362 HydrophobicContact CG2-CD2 4.16Å; I356-A366 HydrophobicContact CD1-CB 3.89Å; I356-A366 HydrophobicContact CG1-CB 4.12Å
357A89.3Confident86.9Confident55 Ų5557.8 Ų57.846%0.45530%0.304SS..  trans-84.4-29-179.400000113.7F262F262-A357 WeakPolarHBondContact CB-O 3.29Å
358S86.2Confident86.9Confident52 Ų5257.9 Ų57.936%0.36431%0.305SS..SBendtrans-133.4151.8-176.4-52.80000111.2I356 D360 H361I356-S358 WeakPolarHBondContact CG2-O 3.35Å; S358-D360 PolarHBondContact O-N 3.34Å; S358-H361 PolarHBondContact O-N 3.44Å; S358-H361 VanDerWaalsContact O-N 3.14Å
359L84.1Confident87Confident39 Ų3959.8 Ų59.820%0.20431%0.308CS..G310 helixtrans-56.2-37.1178.3-70.8160.8000112.9F262 I297 H361 F362F262-L359 HydrophobicContact CD2-CD2 4.27Å; F262-L359 HydrophobicContact CD2-CG 4.37Å; F262-L359 HydrophobicContact CE1-CD2 4.2Å; F262-L359 HydrophobicContact CE1-CG 4.37Å; F262-L359 HydrophobicContact CE2-CD2 3.38Å; F262-L359 HydrophobicContact CE2-CG 3.91Å; F262-L359 HydrophobicContact CZ-CD2 3.34Å; F262-L359 HydrophobicContact CZ-CG 3.92Å; I297-L359 HydrophobicContact CB-CD2 4.16Å; I297-L359 HydrophobicContact CD1-CD1 3.93Å; I297-L359 HydrophobicContact CG1-CD1 3.69Å; I297-L359 HydrophobicContact CG1-CD2 3.93Å; I297-L359 HydrophobicContact CG1-CG 4.49Å; I297-L359 HydrophobicContact CG2-CD2 3.51Å; L359-H361 PolarHBondContact O-N 3.13Å; L359-F362 WeakPolarHBondContact O-CB 3.34Å; L359-F362 PolarHBondContact O-N 3.39Å
360D83.7Confident87Confident139 Ų13955.9 Ų55.974%0.74329%0.291SS*.G310 helixtrans-65.4-24.4-178.3-57.2-38.7000113.3S358 F362S358-D360 PolarHBondContact O-N 3.34Å; D360-F362 VanDerWaalsContact C-N 3.29Å
361H85.8Confident87.2Confident120 Ų12059 Ų5956%0.55631%0.308SS*.G310 helixtrans-88.63.1178.6-60.2-47.3000112.9I356 S358 L359 T363I356-H361 HydrophobicContact CG2-CB 4.09Å; S358-H361 PolarHBondContact O-N 3.44Å; S358-H361 VanDerWaalsContact O-N 3.14Å; L359-H361 PolarHBondContact O-N 3.13Å; H361-T363 PolarHBondContact O-N 3.12Å
362F85.9Confident87.3Confident19 Ų1960.6 Ų60.68%0.08332%0.317CS..  trans-76.169.8178.4-154-92.2000111.7I260 I301 A304 C306 I356 L359 D360 L367I260-F362 HydrophobicContact CD1-CD2 4.31Å; I260-F362 HydrophobicContact CD1-CE2 3.76Å; I260-F362 HydrophobicContact CG1-CD2 4.35Å; I260-F362 HydrophobicContact CG1-CE2 3.9Å; I301-F362 HydrophobicContact CB-CE1 4.1Å; I301-F362 HydrophobicContact CB-CZ 4.38Å; I301-F362 HydrophobicContact CG1-CD1 4.45Å; I301-F362 HydrophobicContact CG1-CE1 4.15Å; I301-F362 HydrophobicContact CG1-CZ 4.2Å; I301-F362 HydrophobicContact CG2-CE1 4.05Å; I301-F362 HydrophobicContact CG2-CZ 4.01Å; A304-F362 HydrophobicContact CB-CD1 3.54Å; A304-F362 HydrophobicContact CB-CE1 3.59Å; C306-F362 HydrophobicContact CB-CE1 3.85Å; C306-F362 HydrophobicContact CB-CZ 3.71Å; I356-F362 HydrophobicContact CD1-CD2 3.32Å; I356-F362 HydrophobicContact CD1-CE2 3.6Å; I356-F362 HydrophobicContact CD1-CG 4.17Å; I356-F362 HydrophobicContact CG1-CD2 4.47Å; I356-F362 HydrophobicContact CG2-CB 4.46Å; I356-F362 HydrophobicContact CG2-CD2 4.16Å; L359-F362 WeakPolarHBondContact O-CB 3.34Å; L359-F362 PolarHBondContact O-N 3.39Å; D360-F362 VanDerWaalsContact C-N 3.29Å; F362-L367 HydrophobicContact CE1-CD2 4.2Å; F362-L367 HydrophobicContact CE2-CD2 4.28Å; F362-L367 HydrophobicContact CZ-CD2 3.79Å
363T86.2Confident87.5Confident61 Ų6156.5 Ų56.537%0.37429%0.294SS..  trans-95.6152.1177.259.10000110.7H361 Q365 A366H361-T363 PolarHBondContact O-N 3.12Å; T363-Q365 PolarHBondContact O-N 3.44Å; T363-Q365 VanDerWaalsContact O-N 3.1Å; T363-A366 PolarHBondContact O-N 3.13Å
364P86.8Confident87.4Confident79 Ų7958.9 Ų58.951%0.51331%0.306SS..G310 helixtrans-61.7-20.1177.924.9-34.8000113.4A366P364-A366 VanDerWaalsContact C-N 3.35Å
365Q86.5Confident87.2Confident183 Ų18350.8 Ų50.886%0.85528%0.276SS*.G310 helixtrans-73.8-24.5176.7-63.9176.30.800113.2T363 L367T363-Q365 PolarHBondContact O-N 3.44Å; T363-Q365 VanDerWaalsContact O-N 3.1Å; Q365-L367 VanDerWaalsContact C-N 3.28Å
366A87.4Confident86.7Confident7 Ų749.7 Ų49.76%0.05827%0.268CS..G310 helixtrans-79.8-12.9178.900000112.8R354 I356 T363 P364R354-A366 HydrophobicContact CB-CB 4.18Å; R354-A366 PolarHBondContact N-O 3.02Å; I356-A366 HydrophobicContact CD1-CB 3.89Å; I356-A366 HydrophobicContact CG1-CB 4.12Å; T363-A366 PolarHBondContact O-N 3.13Å; P364-A366 VanDerWaalsContact C-N 3.35Å
367L88.8Confident85.8Confident20 Ų2055.4 Ų55.411%0.10529%0.29CS..  trans-80135.5-176.5-56.7178.9000111.1R256 I257 A304 C306 F362 Q365R256-L367 HydrophobicContact CB-CB 4.41Å; R256-L367 HydrophobicContact CB-CD1 4.12Å; I257-L367 CarbonylContact O-C 3.51Å; I257-L367 WeakPolarHBondContact O-CA 3.14Å; A304-L367 HydrophobicContact CB-CD1 4.29Å; A304-L367 WeakPolarHBondContact O-CD1 3.45Å; C306-L367 HydrophobicContact CB-CD1 4.1Å; C306-L367 HydrophobicContact CB-CD2 4.19Å; F362-L367 HydrophobicContact CE1-CD2 4.2Å; F362-L367 HydrophobicContact CE2-CD2 4.28Å; F362-L367 HydrophobicContact CZ-CD2 3.79Å; Q365-L367 VanDerWaalsContact C-N 3.28Å
368G87.1Confident84.8Confident3 Ų353.5 Ų53.53%0.03127%0.271CS..EExtended strand (participates in β ladder)trans-77.4169.5168.500000111.9R256 I257 L351R256-G368 CarbonylContact C-O 3.32Å; R256-G368 VanDerWaalsContact CA-O 3.31Å; R256-G368 WeakPolarHBondContact CA-O 3.37Å; I257-G368 PolarHBondContact N-O 3.33Å; I257-G368 PolarHBondContact O-N 2.86Å; L351-G368 VanDerWaalsContact O-CA 3.25Å; L351-G368 WeakPolarHBondContact O-CA 3.28Å
369Y88.4Confident83.6Confident71 Ų7156 Ų5628%0.27828%0.277SS..EExtended strand (participates in β ladder)trans-128.7133.6178.8-177.8-94.2000111K254 A255 D371 Q391K254-Y369 HydrophobicContact CB-CE2 4.27Å; K254-Y369 WeakPolarHBondContact CG-OH 3.32Å; A255-Y369 WeakPolarHBondContact O-CA 3.49Å; Y369-D371 VanDerWaalsContact CE1-OD1 3.25Å; Y369-D371 WeakPolarHBondContact CE1-OD1 3.41Å; Y369-D371 PolarHBondContact OH-OD1 2.85Å; Y369-Q391 HydrophobicContact CD1-CG 3.99Å; Y369-Q391 HydrophobicContact CE1-CG 3.98Å; Y369-Q391 VanDerWaalsContact CE1-NE2 3.26Å
370A86.8Confident82.5Confident0 Ų056.7 Ų56.70%029%0.285CS..EExtended strand (participates in β ladder)trans-139.7138.9170.800000111.1K254 A255 I257 V373 V390K254-A370 CarbonylContact C-O 2.97Å; K254-A370 WeakPolarHBondContact CA-O 3.28Å; A255-A370 PolarHBondContact N-O 2.99Å; A255-A370 PolarHBondContact O-N 3.38Å; I257-A370 HydrophobicContact CD1-CB 3.61Å; A370-V373 HydrophobicContact CB-CG2 4.06Å; A370-V390 HydrophobicContact CB-CG2 4.29Å
371D87.9Confident81.7Confident66 Ų6652.6 Ų52.635%0.35328%0.276SS..EExtended strand (participates in β ladder)trans-67.5-38.4-179-67.8-32.9000112.4E253 K254 Y369 S388 G389E253-D371 CarbonylContact C-O 3.49Å; E253-D371 WeakPolarHBondContact CA-O 3.4Å; K254-D371 PolarHBondContact N-O 3.02Å; Y369-D371 VanDerWaalsContact CE1-OD1 3.25Å; Y369-D371 WeakPolarHBondContact CE1-OD1 3.41Å; Y369-D371 PolarHBondContact OH-OD1 2.85Å; D371-S388 PolarHBondContact N-O 3.49Å; D371-G389 WeakPolarHBondContact CB-O 3.35Å; D371-G389 PolarHBondContact N-O 3.39Å; D371-G389 WeakPolarHBondContact OD2-CA 3.38Å
372L88.1Confident81Confident36 Ų3649.3 Ų49.319%0.18826%0.261CS..EExtended strand (participates in β ladder)trans-142.9125.5-178.7-177.869.8000110.8R251 E253 S388R251-L372 HydrophobicContact CG-CD1 3.79Å; E253-L372 HydrophobicContact CG-CD1 3.88Å; L372-S388 PolarHBondContact N-O 3.09Å; L372-S388 PolarHBondContact O-N 3.3Å
373V88Confident80.6Confident0 Ų052.5 Ų52.50%027%0.272CS..EExtended strand (participates in β ladder)trans-118.7116.2168.8-176.30000107.8R251 V252 A255 I257 V308 M334 A370 V385 K386 F387R251-V373 CarbonylContact C-O 3.55Å; R251-V373 WeakPolarHBondContact CA-O 3.25Å; V252-V373 PolarHBondContact N-O 3.36Å; V252-V373 PolarHBondContact O-N 2.99Å; A255-V373 HydrophobicContact CB-CB 4.38Å; A255-V373 HydrophobicContact CB-CG2 3.59Å; I257-V373 HydrophobicContact CD1-CG2 4.26Å; V308-V373 HydrophobicContact CG1-CG1 4.4Å; V308-V373 HydrophobicContact CG2-CB 4.19Å; V308-V373 HydrophobicContact CG2-CG1 4.24Å; V308-V373 HydrophobicContact CG2-CG2 4.2Å; M334-V373 HydrophobicContact SD-CG1 3.88Å; A370-V373 HydrophobicContact CB-CG2 4.06Å; V373-V385 HydrophobicContact CG1-CG1 3.65Å; V373-K386 WeakPolarHBondContact CA-O 3.44Å; V373-F387 HydrophobicContact CB-CD1 4.27Å; V373-F387 HydrophobicContact CB-CE1 4.37Å; V373-F387 HydrophobicContact CG1-CD1 3.88Å; V373-F387 HydrophobicContact CG1-CE1 3.61Å; V373-F387 HydrophobicContact CG1-CZ 4.07Å; V373-F387 HydrophobicContact CG2-CD1 3.46Å; V373-F387 VanDerWaalsContact CG2-CD1 3.46Å; V373-F387 HydrophobicContact CG2-CE1 3.8Å; V373-F387 HydrophobicContact CG2-CG 4.39Å
374E86.5Confident80.5Confident53 Ų5349.6 Ų49.625%0.24826%0.255CS..EExtended strand (participates in β ladder)trans-127.8138.3179.659.3173-171.300112.1R251 V376 V385 K386R251-E374 HydrophobicContact CG-CB 4.34Å; E374-V376 HydrophobicContact CG-CG2 3.82Å; E374-V376 PolarHBondContact O-N 2.68Å; E374-V385 WeakPolarHBondContact O-CA 3.46Å; E374-K386 HydrophobicContact CG-CB 4.28Å; E374-K386 PolarHBondContact N-O 3.43Å; E374-K386 PolarHBondContact O-N 2.85Å
375N83.6Confident80.4Confident15 Ų1545.9 Ų45.98%0.0823%0.23CC..EExtended strand (participates in β ladder)trans-87.598.9167.1-174.3-20.1000109S242 T250 R383 I384S242-N375 PolarHBondContact OG-ND2 3.38Å; T250-N375 PolarHBondContact O-N 3.03Å; N375-R383 WeakPolarHBondContact OD1-CB 3.44Å; N375-I384 CarbonylContact C-O 3.56Å; N375-I384 WeakPolarHBondContact CA-O 3.23Å; N375-I384 PolarHBondContact OD1-O 3.5Å
376V80.7Confident80.4Confident22 Ų2238.6 Ų38.613%0.13320%0.196CC..EExtended strand (participates in β ladder)trans-80.8120.7178.2-175.80000108.6P209 E374 F378 R383 I384 K386P209-V376 HydrophobicContact CB-CG1 3.66Å; E374-V376 HydrophobicContact CG-CG2 3.82Å; E374-V376 PolarHBondContact O-N 2.68Å; V376-F378 HydrophobicContact CG1-CE1 4.07Å; V376-F378 HydrophobicContact CG1-CE2 4.48Å; V376-F378 HydrophobicContact CG1-CZ 4.01Å; V376-R383 WeakPolarHBondContact O-CA 3.39Å; V376-I384 HydrophobicContact CB-CG1 3.94Å; V376-I384 PolarHBondContact N-O 3.33Å; V376-I384 PolarHBondContact O-N 2.84Å; V376-K386 HydrophobicContact CG2-CB 4.36Å
377R73.7Confident80.3Confident124 Ų12438.2 Ų38.247%0.46819%0.193SC..EExtended strand (participates in β ladder)trans-96124.7173.2-58.7-172.3179.21771.2109.4L210 R383L210-R377 PolarHBondContact N-O 2.84Å; R377-R383 HydrophobicContact CG-CG 4.08Å
378F69.5Low80Confident15 Ų1538.8 Ų38.87%0.06620%0.198CC..BIsolated β-bridgetrans-89.4157.7171.5-61.5-71.4000110.8P209 V376 S380 G381 E382 I384 L400 R402P209-F378 HydrophobicContact CB-CD1 4.28Å; P209-F378 HydrophobicContact CB-CE1 4.26Å; V376-F378 HydrophobicContact CG1-CE1 4.07Å; V376-F378 HydrophobicContact CG1-CE2 4.48Å; V376-F378 HydrophobicContact CG1-CZ 4.01Å; F378-S380 PolarHBondContact O-N 3.03Å; F378-G381 PolarHBondContact O-N 3.39Å; F378-E382 PolarHBondContact N-O 3.18Å; F378-I384 HydrophobicContact CE2-CB 4.22Å; F378-I384 HydrophobicContact CE2-CD1 3.5Å; F378-I384 VanDerWaalsContact CE2-CD1 3.5Å; F378-I384 HydrophobicContact CE2-CG1 3.49Å; F378-I384 VanDerWaalsContact CE2-CG1 3.49Å; F378-I384 HydrophobicContact CE2-CG2 3.9Å; F378-I384 HydrophobicContact CZ-CD1 3.46Å; F378-I384 VanDerWaalsContact CZ-CD1 3.46Å; F378-I384 HydrophobicContact CZ-CG1 3.9Å; F378-L400 HydrophobicContact CZ-CD2 4.31Å; F378-R402 VanDerWaalsContact CD2-NH1 3.27Å; F378-R402 VanDerWaalsContact CG-NH2 3.31Å
379E61.2Low79.5Confident104 Ų10440 Ų4049%0.48621%0.212SC..THydrogen-bonded Turntrans-59.7-27.7176.3-76.9174.4-177.700112.8L207 L210 G381L207-E379 HydrophobicContact CB-CB 4.05Å; L207-E379 WeakPolarHBondContact CB-OE2 3.43Å; L210-E379 HydrophobicContact CB-CG 4.32Å; L210-E379 HydrophobicContact CD1-CG 3.7Å; L210-E379 HydrophobicContact CG-CG 3.98Å; E379-G381 PolarHBondContact O-N 2.92Å
380S60.3Low78.9Confident53 Ų5337.4 Ų37.437%0.37120%0.203SC..THydrogen-bonded Turntrans-66.2-2.6174.553.90000114.2L205 F378 E382L205-S380 PolarHBondContact O-OG 3.01Å; F378-S380 PolarHBondContact O-N 3.03Å; S380-E382 PolarHBondContact O-N 3.18Å
381G67.5Low77.8Confident53 Ų5343.9 Ų43.955%0.54623%0.233SC..SBendtrans79.5-9.5-173.200000113.3F378 E379F378-G381 PolarHBondContact O-N 3.39Å; E379-G381 PolarHBondContact O-N 2.92Å
382E70.7Confident76.5Confident51 Ų5146.5 Ų46.524%0.23825%0.247CC..  trans-67.1144.1172.5-63.9-168.5170.100110.7K204 L205 F378 S380K204-E382 HydrophobicContact CD-CB 4.47Å; K204-E382 WeakPolarHBondContact CD-OE2 3.3Å; L205-E382 PolarHBondContact N-OE2 3.33Å; F378-E382 PolarHBondContact N-O 3.18Å; S380-E382 PolarHBondContact O-N 3.18Å
383R76.7Confident75.3Confident86 Ų8647.3 Ų47.333%0.32526%0.256SS..EExtended strand (participates in β ladder)trans-125140-179.9-59.7-169.2-173.4166.13.3108N375 V376 R377N375-R383 WeakPolarHBondContact OD1-CB 3.44Å; V376-R383 WeakPolarHBondContact O-CA 3.39Å; R377-R383 HydrophobicContact CG-CG 4.08Å
384I83.8Confident73.9Confident1 Ų148.4 Ų48.41%0.00527%0.267CS..EExtended strand (participates in β ladder)trans-127.5152.3168.163.9176.5000108.8K204 V237 N375 V376 F378 L400K204-I384 HydrophobicContact CD-CG2 3.66Å; K204-I384 HydrophobicContact CG-CG2 3.63Å; V237-I384 HydrophobicContact CG1-CB 4.25Å; V237-I384 HydrophobicContact CG1-CD1 4.2Å; N375-I384 CarbonylContact C-O 3.56Å; N375-I384 WeakPolarHBondContact CA-O 3.23Å; N375-I384 PolarHBondContact OD1-O 3.5Å; V376-I384 HydrophobicContact CB-CG1 3.94Å; V376-I384 PolarHBondContact N-O 3.33Å; V376-I384 PolarHBondContact O-N 2.84Å; F378-I384 HydrophobicContact CE2-CB 4.22Å; F378-I384 HydrophobicContact CE2-CD1 3.5Å; F378-I384 VanDerWaalsContact CE2-CD1 3.5Å; F378-I384 HydrophobicContact CE2-CG1 3.49Å; F378-I384 VanDerWaalsContact CE2-CG1 3.49Å; F378-I384 HydrophobicContact CE2-CG2 3.9Å; F378-I384 HydrophobicContact CZ-CD1 3.46Å; F378-I384 VanDerWaalsContact CZ-CD1 3.46Å; F378-I384 HydrophobicContact CZ-CG1 3.9Å; I384-L400 HydrophobicContact CD1-CD1 4.19Å; I384-L400 HydrophobicContact CD1-CD2 3.7Å
385V85.3Confident73.3Confident0 Ų049.3 Ų49.30%027%0.27CS..EExtended strand (participates in β ladder)trans-101.8119.5166-174.90000108.5V237 L238 I336 V373 E374 F387V237-V385 WeakPolarHBondContact CA-O 3.43Å; L238-V385 PolarHBondContact N-O 2.96Å; L238-V385 PolarHBondContact O-N 2.89Å; I336-V385 HydrophobicContact CD1-CB 3.96Å; I336-V385 HydrophobicContact CD1-CG1 3.65Å; I336-V385 HydrophobicContact CD1-CG2 3.73Å; I336-V385 HydrophobicContact CG1-CG2 4.2Å; V373-V385 HydrophobicContact CG1-CG1 3.65Å; E374-V385 WeakPolarHBondContact O-CA 3.46Å; V385-F387 HydrophobicContact CB-CE2 4.12Å; V385-F387 HydrophobicContact CG1-CD2 4.22Å; V385-F387 HydrophobicContact CG1-CE2 3.57Å; V385-F387 HydrophobicContact CG1-CZ 3.73Å
386K86.3Confident73.2Confident30 Ų3048.6 Ų48.613%0.1327%0.267CS..EExtended strand (participates in β ladder)trans-102.1125.5176.6-172173.3-179.3165.30108.9E231 I233 V373 E374 V376E231-K386 IonicContact OE1-NZ 2.98Å; E231-K386 PolarHBondContact OE1-NZ 3.09Å; E231-K386 IonicContact OE2-NZ 2.62Å; E231-K386 PolarHBondContact OE2-NZ 3.05Å; E231-K386 VanDerWaalsContact OE2-NZ 3.09Å; I233-K386 HydrophobicContact CD1-CD 4.07Å; I233-K386 HydrophobicContact CD1-CG 4.33Å; I233-K386 HydrophobicContact CG2-CD 4.43Å; I233-K386 HydrophobicContact CG2-CG 4.04Å; V373-K386 WeakPolarHBondContact CA-O 3.44Å; E374-K386 HydrophobicContact CG-CB 4.28Å; E374-K386 PolarHBondContact N-O 3.43Å; E374-K386 PolarHBondContact O-N 2.85Å; V376-K386 HydrophobicContact CG2-CB 4.36Å
387F86.4Confident73.4Confident0 Ų047.7 Ų47.70%026%0.261CS..EExtended strand (participates in β ladder)trans-101.6114.7171.5-60.3-98.7000107.3G235 A236 L238 I257 V308 L310 I336 L351 V373 V385G235-F387 WeakPolarHBondContact CA-O 3.27Å; A236-F387 HydrophobicContact CB-CB 4.28Å; A236-F387 HydrophobicContact CB-CD2 3.93Å; A236-F387 HydrophobicContact CB-CG 4.31Å; A236-F387 WeakPolarHBondContact O-CB 3.04Å; A236-F387 WeakPolarHBondContact O-CD2 3.4Å; A236-F387 PolarHBondContact O-N 3.32Å; L238-F387 HydrophobicContact CD1-CE2 3.62Å; L238-F387 HydrophobicContact CD1-CZ 3.99Å; L238-F387 HydrophobicContact CG-CE2 3.83Å; I257-F387 HydrophobicContact CD1-CD1 3.57Å; I257-F387 HydrophobicContact CD1-CE1 3.77Å; I257-F387 HydrophobicContact CG1-CE1 4.43Å; V308-F387 HydrophobicContact CG1-CE1 4.21Å; L310-F387 HydrophobicContact CD2-CZ 4.01Å; I336-F387 HydrophobicContact CD1-CZ 3.87Å; L351-F387 HydrophobicContact CD2-CB 4.34Å; L351-F387 HydrophobicContact CD2-CD1 4.25Å; L351-F387 HydrophobicContact CD2-CG 4.42Å; V373-F387 HydrophobicContact CB-CD1 4.27Å; V373-F387 HydrophobicContact CB-CE1 4.37Å; V373-F387 HydrophobicContact CG1-CD1 3.88Å; V373-F387 HydrophobicContact CG1-CE1 3.61Å; V373-F387 HydrophobicContact CG1-CZ 4.07Å; V373-F387 HydrophobicContact CG2-CD1 3.46Å; V373-F387 VanDerWaalsContact CG2-CD1 3.46Å; V373-F387 HydrophobicContact CG2-CE1 3.8Å; V373-F387 HydrophobicContact CG2-CG 4.39Å; V385-F387 HydrophobicContact CB-CE2 4.12Å; V385-F387 HydrophobicContact CG1-CD2 4.22Å; V385-F387 HydrophobicContact CG1-CE2 3.57Å; V385-F387 HydrophobicContact CG1-CZ 3.73Å
388S81.9Confident74.1Confident31 Ų3141.8 Ų41.822%0.21724%0.239CC..EExtended strand (participates in β ladder)trans-119.1146.7-179.7-58.50000110.7D371 L372D371-S388 PolarHBondContact N-O 3.49Å; L372-S388 PolarHBondContact N-O 3.09Å; L372-S388 PolarHBondContact O-N 3.3Å
389G75.7Confident75Confident30 Ų3041.1 Ų41.131%0.30924%0.236SC..  trans71.258.3177.800000112.9D371D371-G389 WeakPolarHBondContact CB-O 3.35Å; D371-G389 PolarHBondContact N-O 3.39Å; D371-G389 WeakPolarHBondContact OD2-CA 3.38Å
390V77.1Confident76.4Confident15 Ų1536.3 Ų36.39%0.09121%0.213CC..  trans-90.5113.8172.4-173.40000108I350 L351 A370 N392 S393I350-V390 WeakPolarHBondContact O-CG1 3.29Å; L351-V390 HydrophobicContact CD2-CG2 3.91Å; A370-V390 HydrophobicContact CB-CG2 4.29Å; V390-N392 PolarHBondContact O-N 2.94Å; V390-S393 PolarHBondContact O-N 3.03Å
391Q62.1Low77.7Confident137 Ų13733.8 Ų33.864%0.6420%0.196SC*.THydrogen-bonded Turntrans-60.4-21.7-169.8-69.7-176.4-5.800114.3Y369Y369-Q391 HydrophobicContact CD1-CG 3.99Å; Y369-Q391 HydrophobicContact CE1-CG 3.98Å; Y369-Q391 VanDerWaalsContact CE1-NE2 3.26Å
392N62.4Low78.6Confident120 Ų12031.7 Ų31.764%0.64217%0.171SC*.THydrogen-bonded Turntrans-140.379.4172.3-82.2-28.7000108.7N352 V390 G394N352-N392 WeakPolarHBondContact ND2-CB 3.49Å; N352-N392 PolarHBondContact ND2-O 2.93Å; V390-N392 PolarHBondContact O-N 2.94Å; N392-G394 PolarHBondContact O-N 2.89Å
393S61.4Low79.1Confident54 Ų5429.2 Ų29.238%0.37816%0.16SC..  trans-57.2104.8171.352.20000108.9V390 K395V390-S393 PolarHBondContact O-N 3.03Å; S393-K395 PolarHBondContact O-N 3.09Å
394G59.3Low79.4Confident23 Ų2329.6 Ų29.624%0.23718%0.176CC..  trans-70.771.1-170.600000113.6K349 N392 A396K349-G394 VanDerWaalsContact O-CA 3.23Å; K349-G394 WeakPolarHBondContact O-CA 3.39Å; K349-G394 PolarHBondContact O-N 3.35Å; N392-G394 PolarHBondContact O-N 2.89Å; G394-A396 PolarHBondContact O-N 2.7Å
395K74.2Confident79.4Confident71 Ų7133.3 Ų33.331%0.30920%0.195SC..SBendtrans44.737.3-176.9-63.8-174168.3-162.90113.1I185 N187 D191 N198 S393I185-K395 WeakPolarHBondContact CG1-O 3.4Å; I185-K395 WeakPolarHBondContact CG2-O 3.48Å; N187-K395 WeakPolarHBondContact ND2-CE 3.24Å; N187-K395 PolarHBondContact ND2-NZ 2.9Å; D191-K395 IonicContact OD1-NZ 3.3Å; D191-K395 IonicContact OD2-NZ 2.56Å; D191-K395 PolarHBondContact OD2-NZ 3.06Å; N198-K395 VanDerWaalsContact CB-O 3.29Å; N198-K395 WeakPolarHBondContact CB-O 3.21Å; S393-K395 PolarHBondContact O-N 3.09Å
396A81.2Confident79.4Confident1 Ų141.4 Ų41.41%0.00823%0.226CC..  trans-142.3143.1-17900000110.2N198 F346 K349 I350 G394N198-A396 HydrophobicContact CB-CB 4.08Å; N198-A396 CarbonylContact O-C 3.56Å; N198-A396 WeakPolarHBondContact O-CA 3.21Å; N198-A396 WeakPolarHBondContact O-CB 3.19Å; F346-A396 HydrophobicContact CD2-CB 4.27Å; F346-A396 HydrophobicContact CE2-CB 3.95Å; K349-A396 HydrophobicContact CB-CB 4.49Å; I350-A396 HydrophobicContact CD1-CB 3.92Å; I350-A396 HydrophobicContact CG1-CB 3.28Å; G394-A396 PolarHBondContact O-N 2.7Å
397V86Confident79.3Confident3 Ų342.6 Ų42.62%0.01823%0.233CC..EExtended strand (participates in β ladder)trans-139.7145.8-169.2-172.20000109.3K184 I185 N198 I199 L200 L232 F346K184-V397 HydrophobicContact CB-CG2 3.64Å; K184-V397 HydrophobicContact CD-CG2 4.23Å; I185-V397 HydrophobicContact CD1-CB 4.49Å; I185-V397 HydrophobicContact CD1-CG2 4.22Å; I185-V397 HydrophobicContact CG1-CG2 3.91Å; N198-V397 PolarHBondContact O-N 3.33Å; I199-V397 WeakPolarHBondContact CA-O 3.42Å; L200-V397 PolarHBondContact N-O 3.27Å; L232-V397 HydrophobicContact CD1-CG1 3.36Å; L232-V397 HydrophobicContact CG-CG1 4.01Å; F346-V397 WeakPolarHBondContact CZ-O 3.47Å
398S87.2Confident79.3Confident0 Ų044.6 Ų44.60%025%0.246CC..EExtended strand (participates in β ladder)trans-111.2139171.960.80000111.2L200 I233 G235 V237L200-S398 CarbonylContact O-C 3.44Å; L200-S398 WeakPolarHBondContact O-CA 3.4Å; I233-S398 PolarHBondContact N-O 3.18Å; G235-S398 WeakPolarHBondContact O-CB 3.49Å; G235-S398 PolarHBondContact O-N 3.48Å; G235-S398 PolarHBondContact O-OG 2.93Å; V237-S398 WeakPolarHBondContact CG2-OG 3.37Å; V237-S398 PolarHBondContact N-OG 3.16Å
399I89.4Confident79.5Confident0 Ų043.4 Ų43.40%024%0.237CC..EExtended strand (participates in β ladder)trans-114.1122172.9-57.8171.9000106.9I177 A181 I199 L200 L201 V202 L232 L401 M416I177-I399 HydrophobicContact CG2-CD1 4.13Å; I177-I399 HydrophobicContact CG2-CG1 4.28Å; I177-I399 HydrophobicContact CG2-CG2 3.95Å; A181-I399 HydrophobicContact CB-CD1 3.9Å; A181-I399 HydrophobicContact CB-CG1 4.42Å; I199-I399 HydrophobicContact CG2-CD1 3.92Å; I199-I399 HydrophobicContact CG2-CG1 4.37Å; L200-I399 PolarHBondContact O-N 3.03Å; L201-I399 HydrophobicContact CD2-CB 3.7Å; L201-I399 HydrophobicContact CD2-CD1 3.73Å; L201-I399 HydrophobicContact CD2-CG1 4.15Å; L201-I399 HydrophobicContact CD2-CG2 4.21Å; V202-I399 PolarHBondContact N-O 3.1Å; L232-I399 HydrophobicContact CD1-CD1 4.33Å; L232-I399 HydrophobicContact CD1-CG1 3.63Å; I399-L401 HydrophobicContact CG2-CD2 3.91Å; I399-L401 HydrophobicContact CG2-CG 4.21Å; I399-M416 HydrophobicContact CD1-CE 4.02Å; I399-M416 HydrophobicContact CG2-CE 4.13Å
400L89.8Confident80Confident3 Ų344 Ų442%0.01623%0.233CC..EExtended strand (participates in β ladder)trans-88.8109.8172.5177.265.3000108.4V202 K204 S230 E231 I233 F378 I384 R402V202-L400 HydrophobicContact CG1-CD1 4.45Å; K204-L400 HydrophobicContact CB-CD1 4.21Å; K204-L400 HydrophobicContact CG-CD1 3.91Å; S230-L400 CarbonylContact C-O 3.51Å; S230-L400 WeakPolarHBondContact CA-O 3.43Å; S230-L400 WeakPolarHBondContact CB-O 3.39Å; E231-L400 HydrophobicContact CG-CB 4.08Å; E231-L400 HydrophobicContact CG-CD2 4.18Å; E231-L400 PolarHBondContact N-O 3.28Å; E231-L400 PolarHBondContact O-N 3.22Å; I233-L400 HydrophobicContact CD1-CB 3.74Å; I233-L400 HydrophobicContact CD1-CD2 4.26Å; F378-L400 HydrophobicContact CZ-CD2 4.31Å; I384-L400 HydrophobicContact CD1-CD1 4.19Å; I384-L400 HydrophobicContact CD1-CD2 3.7Å; L400-R402 HydrophobicContact CG-CG 4.48Å
401L88.4Confident80.4Confident1 Ų143.4 Ų43.41%0.00523%0.229CC..EExtended strand (participates in β ladder)trans-92129.8174.3-65.7177.7000110.3L201 V202 K204 I399 E413 M416L201-L401 HydrophobicContact CB-CD1 4.34Å; L201-L401 HydrophobicContact CD1-CD1 4.44Å; L201-L401 HydrophobicContact CD2-CD1 4.3Å; V202-L401 PolarHBondContact O-N 3.43Å; K204-L401 PolarHBondContact N-O 3.16Å; I399-L401 HydrophobicContact CG2-CD2 3.91Å; I399-L401 HydrophobicContact CG2-CG 4.21Å; L401-E413 HydrophobicContact CD1-CB 3.94Å; L401-E413 HydrophobicContact CD1-CG 4.22Å; L401-M416 HydrophobicContact CD1-CB 4.47Å; L401-M416 HydrophobicContact CD1-CG 4.22Å; L401-M416 HydrophobicContact CD2-CE 4.25Å; L401-M416 HydrophobicContact CD2-CG 4.02Å
402R84.9Confident81.6Confident8 Ų837 Ų373%0.0320%0.199CC..EExtended strand (participates in β ladder)trans-112.5146.2177.9-58.9-62.3-71.7-157.1-10.2109.9K204 G206 L207 V227 D229 S230 F378 L400K204-R402 VanDerWaalsContact CB-NH1 3.33Å; G206-R402 VanDerWaalsContact C-NH2 3.31Å; G206-R402 PolarHBondContact O-NE 3.39Å; G206-R402 PolarHBondContact O-NH2 3.41Å; L207-R402 PolarHBondContact O-NH2 2.96Å; V227-R402 WeakPolarHBondContact CA-O 3.36Å; D229-R402 HydrophobicContact CB-CB 4.23Å; D229-R402 HydrophobicContact CB-CG 4.18Å; S230-R402 PolarHBondContact OG-N 2.84Å; F378-R402 VanDerWaalsContact CD2-NH1 3.27Å; F378-R402 VanDerWaalsContact CG-NH2 3.31Å; L400-R402 HydrophobicContact CG-CG 4.48Å
403G82.8Confident82.9Confident0 Ų032.1 Ų32.10%017%0.173CC..EExtended strand (participates in β ladder)trans-159.4153.6175.200000111.8K204 G206 G225K204-G403 PolarHBondContact O-N 2.71Å; G206-G403 PolarHBondContact N-O 2.98Å; G225-G403 CarbonylContact O-C 3.55Å; G225-G403 VanDerWaalsContact O-CA 3.29Å; G225-G403 WeakPolarHBondContact O-CA 3.47Å
404S81.9Confident84.1Confident93 Ų9331.8 Ų31.865%0.6516%0.163SC*.SBendtrans-79.8-33.3179.353.80000112G225G225-S404 PolarHBondContact O-N 3.24Å
405N83.6Confident85.5Confident79 Ų7930.7 Ų30.742%0.42215%0.152SC..SBendtrans-126.8144.3179.9-168.5-5.9000110.1L407 V408 L409N405-L407 VanDerWaalsContact C-N 3.28Å; N405-L407 PolarHBondContact O-N 3.05Å; N405-V408 HydrophobicContact CB-CG2 4.31Å; N405-V408 PolarHBondContact O-N 2.95Å; N405-L409 WeakPolarHBondContact O-CB 3.43Å; N405-L409 PolarHBondContact O-N 3.12Å
406R84.9Confident86.2Confident171 Ų17127.3 Ų27.365%0.64514%0.137SC*.Hα-helixtrans-55.7-43.2176.7-70.8-178.3179.8177.6-1.4111.7L205 V408 L409 D410L205-R406 HydrophobicContact CD1-CG 3.68Å; L205-R406 HydrophobicContact CD2-CG 3.81Å; L205-R406 HydrophobicContact CG-CG 4.27Å; R406-V408 PolarHBondContact O-N 3.28Å; R406-L409 PolarHBondContact O-N 3Å; R406-L409 VanDerWaalsContact O-N 3.16Å; R406-D410 PolarHBondContact O-N 3.24Å
407L85Confident86.6Confident54 Ų5432.8 Ų32.828%0.28316%0.158SC..Hα-helixtrans-57.4-46.4179.3-58.6178.9000112.6V59 N405 L409 E411V59-L407 WeakPolarHBondContact O-CD2 3.33Å; N405-L407 VanDerWaalsContact C-N 3.28Å; N405-L407 PolarHBondContact O-N 3.05Å; L407-L409 VanDerWaalsContact C-N 3.35Å; L407-E411 WeakPolarHBondContact O-CB 3.43Å; L407-E411 PolarHBondContact O-N 3.09Å; L407-E411 VanDerWaalsContact O-N 3.16Å
408V85.3Confident86.7Confident43 Ų4333.3 Ų33.326%0.26116%0.16SC..Hα-helixtrans-70-36.7179.7177.90000110.8V227 N405 R406 A412V227-V408 HydrophobicContact CG2-CG1 4.07Å; N405-V408 HydrophobicContact CB-CG2 4.31Å; N405-V408 PolarHBondContact O-N 2.95Å; R406-V408 PolarHBondContact O-N 3.28Å; V408-A412 WeakPolarHBondContact O-CB 3.45Å; V408-A412 PolarHBondContact O-N 3.47Å
409L86.9Confident86.8Confident5 Ų533.3 Ų33.33%0.02616%0.16CC..Hα-helixtrans-70.3-41.5-179.5169.5157.3000112K203 K204 L205 N405 R406 L407 E411 A412 E413K203-L409 HydrophobicContact CB-CD1 4.13Å; K203-L409 HydrophobicContact CB-CD2 3.48Å; K203-L409 VanDerWaalsContact CB-CD2 3.48Å; K203-L409 HydrophobicContact CB-CG 3.99Å; K203-L409 HydrophobicContact CD-CD2 3.63Å; K203-L409 HydrophobicContact CG-CD2 3.72Å; K204-L409 VanDerWaalsContact O-CD1 3.3Å; K204-L409 WeakPolarHBondContact O-CD1 3.01Å; L205-L409 HydrophobicContact CD2-CD1 4.2Å; N405-L409 WeakPolarHBondContact O-CB 3.43Å; N405-L409 PolarHBondContact O-N 3.12Å; R406-L409 PolarHBondContact O-N 3Å; R406-L409 VanDerWaalsContact O-N 3.16Å; L407-L409 VanDerWaalsContact C-N 3.35Å; L409-E411 VanDerWaalsContact C-N 3.35Å; L409-A412 PolarHBondContact O-N 3.28Å; L409-E413 WeakPolarHBondContact O-CB 3.4Å; L409-E413 PolarHBondContact O-N 3.26Å
410D86.5Confident86.9Confident42 Ų4233.7 Ų33.723%0.22516%0.162CC..Hα-helixtrans-64.9-40.7174.6-69.5-31.5000110.8K203 R406 E413 R414K203-D410 IonicContact NZ-OD1 2.82Å; K203-D410 PolarHBondContact NZ-OD1 3.03Å; R406-D410 PolarHBondContact O-N 3.24Å; D410-E413 PolarHBondContact O-N 3.16Å; D410-R414 WeakPolarHBondContact O-CG 3.3Å; D410-R414 PolarHBondContact O-N 3.27Å; D410-R414 VanDerWaalsContact O-N 3.1Å
411E85.4Confident86.9Confident4 Ų434.1 Ų34.12%0.01917%0.165CC..Hα-helixtrans-70.8-33.4176.2-170.761.8-170.600112.5S62 V166 L407 L409 R414 S415S62-E411 WeakPolarHBondContact CB-OE2 3.39Å; S62-E411 PolarHBondContact OG-OE1 3.43Å; S62-E411 PolarHBondContact OG-OE2 3.04Å; V166-E411 HydrophobicContact CB-CG 4.14Å; V166-E411 HydrophobicContact CG2-CG 3.91Å; L407-E411 WeakPolarHBondContact O-CB 3.43Å; L407-E411 PolarHBondContact O-N 3.09Å; L407-E411 VanDerWaalsContact O-N 3.16Å; L409-E411 VanDerWaalsContact C-N 3.35Å; E411-R414 PolarHBondContact O-N 3.43Å; E411-R414 IonicContact OE2-NH1 3.41Å; E411-R414 PolarHBondContact OE2-NH1 2.89Å; E411-S415 VanDerWaalsContact O-CB 3.3Å; E411-S415 WeakPolarHBondContact O-CB 3.34Å; E411-S415 PolarHBondContact O-N 3.38Å; E411-S415 PolarHBondContact O-OG 3.12Å
412A88.2Confident86.9Confident1 Ų134.1 Ų34.11%0.00817%0.166CC..Hα-helixtrans-66.2-42.1173.200000111.7V167 V408 L409 S415 M416V167-A412 HydrophobicContact CG1-CB 3.62Å; V408-A412 WeakPolarHBondContact O-CB 3.45Å; V408-A412 PolarHBondContact O-N 3.47Å; L409-A412 PolarHBondContact O-N 3.28Å; A412-S415 PolarHBondContact O-N 3.24Å; A412-M416 WeakPolarHBondContact O-CB 3.47Å; A412-M416 WeakPolarHBondContact O-CG 3.4Å; A412-M416 PolarHBondContact O-N 3Å
413E88.4Confident87.1Confident19 Ų1933.8 Ų33.89%0.08916%0.164CC..Hα-helixtrans-59.2-46.7175-171.1-168.1154.400111.5L201 K203 L401 L409 D410 M416 R417L201-E413 HydrophobicContact CB-CG 4.18Å; L201-E413 HydrophobicContact CD1-CG 3.89Å; K203-E413 WeakPolarHBondContact CD-OE2 3.31Å; K203-E413 IonicContact NZ-OE2 3.55Å; K203-E413 PolarHBondContact NZ-OE2 2.69Å; L401-E413 HydrophobicContact CD1-CB 3.94Å; L401-E413 HydrophobicContact CD1-CG 4.22Å; L409-E413 WeakPolarHBondContact O-CB 3.4Å; L409-E413 PolarHBondContact O-N 3.26Å; D410-E413 PolarHBondContact O-N 3.16Å; E413-M416 PolarHBondContact O-N 3.18Å; E413-R417 WeakPolarHBondContact O-CG 3.37Å; E413-R417 PolarHBondContact O-N 3.47Å; E413-R417 IonicContact OE1-CZ 2.8Å; E413-R417 IonicContact OE1-NH1 3.5Å; E413-R417 PolarHBondContact OE1-NH1 2.73Å; E413-R417 IonicContact OE1-NH2 2.71Å; E413-R417 PolarHBondContact OE1-NH2 2.89Å
414R87.4Confident87.4Confident46 Ų4635.1 Ų35.117%0.17417%0.169CC..Hα-helixtrans-60.6-49.8173.5-70.7-178.4-170.3138.8-3.1112.1D410 E411 M416 R417 D418D410-R414 WeakPolarHBondContact O-CG 3.3Å; D410-R414 PolarHBondContact O-N 3.27Å; D410-R414 VanDerWaalsContact O-N 3.1Å; E411-R414 PolarHBondContact O-N 3.43Å; E411-R414 IonicContact OE2-NH1 3.41Å; E411-R414 PolarHBondContact OE2-NH1 2.89Å; R414-M416 PolarHBondContact O-N 3.34Å; R414-R417 WeakPolarHBondContact O-CB 2.72Å; R414-R417 PolarHBondContact O-N 2.87Å; R414-D418 VanDerWaalsContact O-CG 3.31Å; R414-D418 PolarHBondContact O-N 3.05Å
415S88Confident87.7Confident0 Ų030.7 Ų30.70%014%0.138CC..Hα-helixtrans-55.3-39.9179.1-60.90000112.4L162 K165 V167 E411 A412 A419L162-S415 VanDerWaalsContact CD2-O 3.23Å; L162-S415 WeakPolarHBondContact CD2-O 3.42Å; K165-S415 WeakPolarHBondContact CB-OG 3.28Å; K165-S415 WeakPolarHBondContact CD-OG 3.47Å; V167-S415 VanDerWaalsContact CG2-CB 3.43Å; E411-S415 VanDerWaalsContact O-CB 3.3Å; E411-S415 WeakPolarHBondContact O-CB 3.34Å; E411-S415 PolarHBondContact O-N 3.38Å; E411-S415 PolarHBondContact O-OG 3.12Å; A412-S415 PolarHBondContact O-N 3.24Å; S415-A419 PolarHBondContact O-N 3.02Å; S415-A419 VanDerWaalsContact O-N 3.13Å
416M89.2Confident87.8Confident0 Ų026.9 Ų26.90%012%0.118CC..Hα-helixtrans-68-42.6176.2-72.6-70.7-75.400112.3L174 I177 V178 L201 I399 L401 A412 E413 R414 D418 A419 I420L174-M416 HydrophobicContact CB-SD 3.71Å; L174-M416 HydrophobicContact CD1-SD 4.07Å; L174-M416 HydrophobicContact CD2-CE 4.31Å; L174-M416 HydrophobicContact CD2-SD 3.8Å; L174-M416 HydrophobicContact CG-SD 4.06Å; I177-M416 HydrophobicContact CG2-CE 4Å; V178-M416 HydrophobicContact CG2-CE 3.32Å; V178-M416 HydrophobicContact CG2-SD 3.44Å; V178-M416 WeakPolarHBondContact CG2-SD 3.45Å; L201-M416 HydrophobicContact CD1-CB 4.2Å; I399-M416 HydrophobicContact CD1-CE 4.02Å; I399-M416 HydrophobicContact CG2-CE 4.13Å; L401-M416 HydrophobicContact CD1-CB 4.47Å; L401-M416 HydrophobicContact CD1-CG 4.22Å; L401-M416 HydrophobicContact CD2-CE 4.25Å; L401-M416 HydrophobicContact CD2-CG 4.02Å; A412-M416 WeakPolarHBondContact O-CB 3.47Å; A412-M416 WeakPolarHBondContact O-CG 3.4Å; A412-M416 PolarHBondContact O-N 3Å; E413-M416 PolarHBondContact O-N 3.18Å; R414-M416 PolarHBondContact O-N 3.34Å; M416-D418 VanDerWaalsContact C-N 3.31Å; M416-D418 PolarHBondContact O-N 2.76Å; M416-A419 PolarHBondContact O-N 3.36Å; M416-I420 WeakPolarHBondContact O-CD1 3.32Å; M416-I420 VanDerWaalsContact O-CG1 3.23Å; M416-I420 WeakPolarHBondContact O-CG1 3.44Å; M416-I420 PolarHBondContact O-N 2.73Å
417R89.1Confident87.7Confident116 Ų11619.4 Ų19.444%0.4389%0.09SC..Hα-helixtrans-56.6-47174.1-73.6-175.4176.1111.32.3111.4L201 E413 R414 A419 I420 C421L201-R417 HydrophobicContact CD1-CG 3.62Å; E413-R417 WeakPolarHBondContact O-CG 3.37Å; E413-R417 PolarHBondContact O-N 3.47Å; E413-R417 IonicContact OE1-CZ 2.8Å; E413-R417 IonicContact OE1-NH1 3.5Å; E413-R417 PolarHBondContact OE1-NH1 2.73Å; E413-R417 IonicContact OE1-NH2 2.71Å; E413-R417 PolarHBondContact OE1-NH2 2.89Å; R414-R417 WeakPolarHBondContact O-CB 2.72Å; R414-R417 PolarHBondContact O-N 2.87Å; R417-A419 PolarHBondContact O-N 3.38Å; R417-I420 WeakPolarHBondContact O-CB 2.86Å; R417-I420 PolarHBondContact O-N 2.89Å; R417-I420 VanDerWaalsContact O-N 3.12Å; R417-C421 PolarHBondContact O-N 3.46Å; R417-C421 PolarHBondContact O-SG 3Å; R417-C421 VanDerWaalsContact O-SG 3.33Å
418D88.9Confident87.7Confident14 Ų1421.8 Ų21.88%0.07510%0.095CC..Hα-helixtrans-64.6-41.6-178.3-58.9-12.3000111.2G94 K165 R414 M416 I420 C421 V422G94-D418 WeakPolarHBondContact O-CB 3.41Å; K165-D418 IonicContact NZ-OD2 2.86Å; K165-D418 PolarHBondContact NZ-OD2 3.33Å; R414-D418 VanDerWaalsContact O-CG 3.31Å; R414-D418 PolarHBondContact O-N 3.05Å; M416-D418 VanDerWaalsContact C-N 3.31Å; M416-D418 PolarHBondContact O-N 2.76Å; D418-I420 VanDerWaalsContact C-N 3.31Å; D418-I420 PolarHBondContact O-N 3.49Å; D418-C421 WeakPolarHBondContact O-CB 3.46Å; D418-C421 PolarHBondContact O-N 3.25Å; D418-C421 VanDerWaalsContact O-N 3.13Å; D418-V422 VanDerWaalsContact O-CG2 3.28Å; D418-V422 WeakPolarHBondContact O-CG2 3.44Å; D418-V422 PolarHBondContact O-N 3.29Å
419A89.5Confident87.6Confident0 Ų023.8 Ų23.80%010%0.101CC..Hα-helixtrans-60.9-39.117400000112.4L162 V178 S415 M416 R417 L423L162-A419 HydrophobicContact CD1-CB 4.33Å; L162-A419 HydrophobicContact CD2-CB 3.96Å; L162-A419 HydrophobicContact CG-CB 4.03Å; V178-A419 HydrophobicContact CG1-CB 4.07Å; V178-A419 HydrophobicContact CG2-CB 4.13Å; S415-A419 PolarHBondContact O-N 3.02Å; S415-A419 VanDerWaalsContact O-N 3.13Å; M416-A419 PolarHBondContact O-N 3.36Å; R417-A419 PolarHBondContact O-N 3.38Å; A419-L423 WeakPolarHBondContact O-CG 3.44Å; A419-L423 PolarHBondContact O-N 3.25Å; A419-L423 VanDerWaalsContact O-N 3.17Å
420I90.8Very high87.5Confident9 Ų929.3 Ų29.35%0.04612%0.121CC..Hα-helixtrans-65.4-42.3173.8-62.5161000110.2V178 V182 L196 I199 M416 R417 D418 L423 R424V178-I420 HydrophobicContact CG1-CB 4.45Å; V178-I420 HydrophobicContact CG1-CG1 3.72Å; V178-I420 HydrophobicContact CG2-CG1 4.44Å; V182-I420 HydrophobicContact CG2-CG2 4.03Å; L196-I420 HydrophobicContact CD2-CB 4.43Å; L196-I420 HydrophobicContact CD2-CG2 3.36Å; I199-I420 HydrophobicContact CD1-CD1 4.02Å; I199-I420 HydrophobicContact CD1-CG1 4.23Å; I199-I420 HydrophobicContact CD1-CG2 3.46Å; I199-I420 VanDerWaalsContact CD1-CG2 3.46Å; I199-I420 HydrophobicContact CG2-CD1 3.92Å; M416-I420 WeakPolarHBondContact O-CD1 3.32Å; M416-I420 VanDerWaalsContact O-CG1 3.23Å; M416-I420 WeakPolarHBondContact O-CG1 3.44Å; M416-I420 PolarHBondContact O-N 2.73Å; R417-I420 WeakPolarHBondContact O-CB 2.86Å; R417-I420 PolarHBondContact O-N 2.89Å; R417-I420 VanDerWaalsContact O-N 3.12Å; D418-I420 VanDerWaalsContact C-N 3.31Å; D418-I420 PolarHBondContact O-N 3.49Å; I420-L423 PolarHBondContact O-N 3.36Å; I420-R424 PolarHBondContact O-N 3.3Å
421C89.4Confident87.6Confident11 Ų1130.9 Ų30.97%0.07413%0.126CC..Hα-helixtrans-63.1-40.2177.7-71.50000112.8A93 L196 R417 D418 L423 R424 C425A93-C421 CarbonylContact O-C 3.53Å; A93-C421 WeakPolarHBondContact O-CB 3.3Å; L196-C421 VanDerWaalsContact CD1-SG 3.51Å; R417-C421 PolarHBondContact O-N 3.46Å; R417-C421 PolarHBondContact O-SG 3Å; R417-C421 VanDerWaalsContact O-SG 3.33Å; D418-C421 WeakPolarHBondContact O-CB 3.46Å; D418-C421 PolarHBondContact O-N 3.25Å; D418-C421 VanDerWaalsContact O-N 3.13Å; C421-L423 VanDerWaalsContact C-N 3.33Å; C421-L423 PolarHBondContact O-N 3.15Å; C421-R424 WeakPolarHBondContact O-CB 3.08Å; C421-R424 PolarHBondContact O-N 2.94Å; C421-R424 VanDerWaalsContact O-N 3.17Å; C421-C425 PolarHBondContact O-N 3.44Å; C421-C425 PolarHBondContact O-SG 2.94Å
422V89.2Confident87.7Confident2 Ų231.1 Ų31.11%0.01213%0.127CC..Hα-helixtrans-60.9-42.6174.2170.80000110.6D95 I157 D418 C425 P522D95-V422 HydrophobicContact CB-CG2 3.51Å; I157-V422 HydrophobicContact CG2-CG1 3.5Å; D418-V422 VanDerWaalsContact O-CG2 3.28Å; D418-V422 WeakPolarHBondContact O-CG2 3.44Å; D418-V422 PolarHBondContact O-N 3.29Å; V422-C425 WeakPolarHBondContact O-CB 3.39Å; V422-C425 PolarHBondContact O-N 3.4Å; V422-P522 HydrophobicContact CG1-CG 3.62Å
423L88.7Confident87.9Confident1 Ų131.1 Ų31.11%0.00513%0.127CC..Hα-helixtrans-65.3-42.3173.8-66.6-173.1000111.5L154 A158 V178 V179 V182 A419 I420 C421 C425 L426 F427L154-L423 HydrophobicContact CB-CD2 4.21Å; L154-L423 HydrophobicContact CD2-CD2 4.06Å; A158-L423 HydrophobicContact CB-CD2 4.49Å; V178-L423 HydrophobicContact CG1-CD1 3.72Å; V178-L423 HydrophobicContact CG1-CG 4.47Å; V179-L423 HydrophobicContact CB-CD1 4.47Å; V179-L423 HydrophobicContact CG2-CD1 3.87Å; V182-L423 HydrophobicContact CB-CD1 4.11Å; V182-L423 HydrophobicContact CG1-CB 4.38Å; V182-L423 HydrophobicContact CG1-CD1 4.45Å; V182-L423 HydrophobicContact CG2-CB 4.24Å; V182-L423 HydrophobicContact CG2-CD1 3.89Å; A419-L423 WeakPolarHBondContact O-CG 3.44Å; A419-L423 PolarHBondContact O-N 3.25Å; A419-L423 VanDerWaalsContact O-N 3.17Å; I420-L423 PolarHBondContact O-N 3.36Å; C421-L423 VanDerWaalsContact C-N 3.33Å; C421-L423 PolarHBondContact O-N 3.15Å; L423-C425 PolarHBondContact O-N 2.92Å; L423-L426 HydrophobicContact CD2-CD1 3.96Å; L423-L426 WeakPolarHBondContact O-CB 3.28Å; L423-L426 PolarHBondContact O-N 3.06Å; L423-F427 VanDerWaalsContact O-CD2 3.25Å; L423-F427 WeakPolarHBondContact O-CD2 3.21Å
424R88.6Confident87.9Confident27 Ų2730.6 Ų30.610%0.10213%0.125CC..Hα-helixtrans-55.3-37.3174.3178-171.364.7160.52.1112V91 E92 I194 L196 I420 C421 L426 F427 R428V91-R424 PolarHBondContact O-NH1 2.99Å; V91-R424 PolarHBondContact O-NH2 2.9Å; E92-R424 PolarHBondContact O-NH2 2.95Å; I194-R424 HydrophobicContact CB-CG 4.37Å; L196-R424 HydrophobicContact CD2-CB 4.4Å; I420-R424 PolarHBondContact O-N 3.3Å; C421-R424 WeakPolarHBondContact O-CB 3.08Å; C421-R424 PolarHBondContact O-N 2.94Å; C421-R424 VanDerWaalsContact O-N 3.17Å; R424-L426 VanDerWaalsContact C-N 3.25Å; R424-L426 PolarHBondContact O-N 3.36Å; R424-F427 PolarHBondContact O-N 2.74Å; R424-F427 VanDerWaalsContact O-N 3.15Å; R424-R428 PolarHBondContact O-N 3.35Å
425C87.9Confident87.9Confident0 Ų028.5 Ų28.50%012%0.118CC..Hα-helixtrans-58.5-36.6176.5-68.40000113.1A93 C421 V422 L423 F427 R428 K429 P522 L524A93-C425 VanDerWaalsContact CA-SG 3.52Å; A93-C425 PolarHBondContact O-SG 2.74Å; C421-C425 PolarHBondContact O-N 3.44Å; C421-C425 PolarHBondContact O-SG 2.94Å; V422-C425 WeakPolarHBondContact O-CB 3.39Å; V422-C425 PolarHBondContact O-N 3.4Å; L423-C425 PolarHBondContact O-N 2.92Å; C425-F427 VanDerWaalsContact C-N 3.3Å; C425-F427 PolarHBondContact O-N 3.19Å; C425-R428 PolarHBondContact O-N 2.7Å; C425-K429 PolarHBondContact O-N 3.09Å; C425-P522 HydrophobicContact CB-CB 3.86Å; C425-P522 HydrophobicContact CB-CG 4.09Å; C425-L524 HydrophobicContact CB-CB 4.17Å; C425-L524 HydrophobicContact CB-CD2 3.92Å
426L86.8Confident87.8Confident0 Ų029.3 Ų29.30%013%0.127CC..Hα-helixtrans-67.4-31179.2-58.5172.4000112.4I146 L148 L154 I157 L423 R424 K429 R430 L432 P522I146-L426 HydrophobicContact CD1-CD2 3.65Å; L148-L426 HydrophobicContact CD2-CB 4.18Å; L154-L426 HydrophobicContact CD2-CD1 3.53Å; I157-L426 HydrophobicContact CD1-CD1 3.62Å; I157-L426 HydrophobicContact CD1-CD2 4.35Å; I157-L426 HydrophobicContact CG2-CD1 4.24Å; L423-L426 HydrophobicContact CD2-CD1 3.96Å; L423-L426 WeakPolarHBondContact O-CB 3.28Å; L423-L426 PolarHBondContact O-N 3.06Å; R424-L426 VanDerWaalsContact C-N 3.25Å; R424-L426 PolarHBondContact O-N 3.36Å; L426-K429 CarbonylContact O-C 3.59Å; L426-R430 WeakPolarHBondContact O-CG 3.46Å; L426-R430 PolarHBondContact O-N 2.9Å; L426-L432 HydrophobicContact CD2-CD2 3.68Å; L426-P522 HydrophobicContact CD2-CB 3.74Å; L426-P522 HydrophobicContact CD2-CG 3.77Å; L426-P522 HydrophobicContact CG-CB 4.43Å; L426-P522 HydrophobicContact CG-CG 4.14Å
427F83.4Confident87.8Confident13 Ų1329.4 Ų29.46%0.05713%0.128CC..Hα-helixtrans-71-34.9175.2-72.3-94.6000111.8L148 V182 F188 I194 L423 R424 C425L148-F427 HydrophobicContact CD1-CD1 3.78Å; L148-F427 HydrophobicContact CD1-CE1 3.84Å; L148-F427 HydrophobicContact CD1-CG 4.41Å; V182-F427 HydrophobicContact CG1-CE2 3.64Å; V182-F427 HydrophobicContact CG1-CZ 3.98Å; F188-F427 HydrophobicContact CD1-CE1 4.02Å; F188-F427 HydrophobicContact CD1-CZ 4.33Å; F188-F427 HydrophobicContact CE1-CE1 4.33Å; F188-F427 HydrophobicContact CE1-CZ 4.19Å; I194-F427 HydrophobicContact CD1-CB 4.28Å; I194-F427 HydrophobicContact CD1-CD1 3.99Å; I194-F427 HydrophobicContact CD1-CD2 3.15Å; I194-F427 HydrophobicContact CD1-CE1 4.08Å; I194-F427 HydrophobicContact CD1-CE2 3.28Å; I194-F427 HydrophobicContact CD1-CG 3.54Å; I194-F427 HydrophobicContact CD1-CZ 3.75Å; I194-F427 HydrophobicContact CG1-CD1 4.44Å; I194-F427 HydrophobicContact CG1-CD2 4.22Å; I194-F427 HydrophobicContact CG1-CG 4.15Å; L423-F427 VanDerWaalsContact O-CD2 3.25Å; L423-F427 WeakPolarHBondContact O-CD2 3.21Å; R424-F427 PolarHBondContact O-N 2.74Å; R424-F427 VanDerWaalsContact O-N 3.15Å; C425-F427 VanDerWaalsContact C-N 3.3Å; C425-F427 PolarHBondContact O-N 3.19Å
428R83.5Confident87.9Confident104 Ų10423.9 Ų23.939%0.39211%0.107SC..Hα-helixtrans-73-45.1175.1-67.7178.475.1-171.65.1112.2E92 R424 C425 L524E92-R428 PolarHBondContact O-NH1 3.05Å; E92-R428 IonicContact OE2-CZ 2.88Å; E92-R428 VanDerWaalsContact OE2-CZ 3.31Å; E92-R428 IonicContact OE2-NH1 2.71Å; E92-R428 PolarHBondContact OE2-NH1 3.21Å; E92-R428 IonicContact OE2-NH2 3.97Å; E92-R428 PolarHBondContact OE2-NH2 2.84Å; R424-R428 PolarHBondContact O-N 3.35Å; C425-R428 PolarHBondContact O-N 2.7Å; R428-L524 HydrophobicContact CB-CD2 4.15Å
429K83.1Confident88.1Confident85 Ų8523.4 Ų23.437%0.3710%0.104SC..  trans-136.9114.8177.4-68.9-167.9-178179.20110.6C425 L426 F431 L524 L527C425-K429 PolarHBondContact O-N 3.09Å; L426-K429 CarbonylContact O-C 3.59Å; K429-F431 HydrophobicContact CB-CD2 4.45Å; K429-F431 PolarHBondContact O-N 3.48Å; K429-L524 HydrophobicContact CD-CD1 3.9Å; K429-L524 HydrophobicContact CG-CD1 4.4Å; K429-L527 HydrophobicContact CD-CD1 4.18Å
430R85.6Confident88.2Confident121 Ų12123.9 Ų23.946%0.45711%0.107SC..  trans-82.543.6-174.9-58.5-178.8-175.7-172.8-1.8113.6P145 I146 L426P145-R430 VanDerWaalsContact CA-O 3.31Å; P145-R430 WeakPolarHBondContact CA-O 3.38Å; I146-R430 PolarHBondContact N-O 3.37Å; I146-R430 VanDerWaalsContact N-O 3.09Å; L426-R430 WeakPolarHBondContact O-CG 3.46Å; L426-R430 PolarHBondContact O-N 2.9Å
431F87.6Confident88.3Confident75 Ų7523.5 Ų23.533%0.32911%0.105SC..EExtended strand (participates in β ladder)trans-122.8129.3-176.1-67.3-70.2000110.7L140 S143 K429 A523L140-F431 HydrophobicContact CD2-CD1 4.26Å; L140-F431 HydrophobicContact CD2-CD2 3.58Å; L140-F431 HydrophobicContact CD2-CE1 4.27Å; L140-F431 HydrophobicContact CD2-CE2 3.59Å; L140-F431 HydrophobicContact CD2-CG 3.92Å; L140-F431 HydrophobicContact CD2-CZ 3.95Å; S143-F431 WeakPolarHBondContact OG-CD1 3.42Å; K429-F431 HydrophobicContact CB-CD2 4.45Å; K429-F431 PolarHBondContact O-N 3.48Å; F431-A523 HydrophobicContact CB-CB 3.82Å; F431-A523 WeakPolarHBondContact O-CB 3.49Å; F431-A523 PolarHBondContact O-N 3.2Å
432L89.3Confident88.4Confident9 Ų923.2 Ų23.25%0.04710%0.103CC..EExtended strand (participates in β ladder)trans-103.2144.2172.1-68.3177.4000111.8S143 K144 I146 I157 L426 I520S143-L432 CarbonylContact C-O 3.49Å; S143-L432 WeakPolarHBondContact CA-O 3.25Å; S143-L432 VanDerWaalsContact CB-O 3.3Å; S143-L432 WeakPolarHBondContact CB-O 3.41Å; K144-L432 PolarHBondContact N-O 3.01Å; K144-L432 PolarHBondContact O-N 3.03Å; I146-L432 HydrophobicContact CD1-CB 4.4Å; I146-L432 HydrophobicContact CD1-CD1 3.46Å; I146-L432 VanDerWaalsContact CD1-CD1 3.46Å; I146-L432 HydrophobicContact CD1-CD2 3.3Å; I146-L432 HydrophobicContact CD1-CG 3.11Å; I146-L432 HydrophobicContact CG1-CB 4.34Å; I146-L432 HydrophobicContact CG1-CD1 3.45Å; I146-L432 VanDerWaalsContact CG1-CD1 3.45Å; I146-L432 HydrophobicContact CG1-CD2 4.12Å; I146-L432 HydrophobicContact CG1-CG 3.33Å; I157-L432 HydrophobicContact CD1-CD1 4.07Å; I157-L432 HydrophobicContact CD1-CD2 3.62Å; I157-L432 HydrophobicContact CD1-CG 4.47Å; I157-L432 HydrophobicContact CG1-CD2 4.19Å; L426-L432 HydrophobicContact CD2-CD2 3.68Å; L432-I520 HydrophobicContact CB-CG2 3.59Å; L432-I520 HydrophobicContact CD1-CG2 3.8Å; L432-I520 HydrophobicContact CD2-CG2 3.98Å; L432-I520 HydrophobicContact CG-CG2 3.92Å
433I90.9Very high88.6Confident2 Ų223.1 Ų23.11%0.0110%0.102CC..EExtended strand (participates in β ladder)trans-127155.4169.456.5175.7000109.2L139 P439 I520 Q521 A523 T526L139-I433 HydrophobicContact CD2-CD1 4.44Å; I433-P439 HydrophobicContact CD1-CB 4.07Å; I433-P439 HydrophobicContact CD1-CG 4.07Å; I433-I520 WeakPolarHBondContact O-CG2 3.46Å; I433-Q521 HydrophobicContact CD1-CG 4.08Å; I433-Q521 HydrophobicContact CG1-CG 3.67Å; I433-Q521 WeakPolarHBondContact CG1-O 3.44Å; I433-Q521 PolarHBondContact N-O 3.07Å; I433-Q521 PolarHBondContact O-N 3.4Å; I433-A523 HydrophobicContact CG1-CB 4.5Å; I433-A523 HydrophobicContact CG2-CB 4.03Å; I433-T526 VanDerWaalsContact CD1-OG1 3.3Å; I433-T526 WeakPolarHBondContact CD1-OG1 3.38Å
434C89Confident88.8Confident7 Ų723.1 Ų23.15%0.04710%0.102CC..EExtended strand (participates in β ladder)trans-61.5143.6168.7-72.20000110.6A438 P439 M514 Y515C434-A438 HydrophobicContact CB-CB 3.94Å; C434-P439 VanDerWaalsContact O-CD 3.25Å; C434-P439 WeakPolarHBondContact O-CD 3.45Å; C434-M514 HydrophobicContact CB-CB 3.77Å; C434-Y515 WeakPolarHBondContact SG-CD2 3.45Å; C434-Y515 WeakPolarHBondContact SG-CE2 3.48Å; C434-Y515 VanDerWaalsContact SG-CZ 3.52Å
435G88.1Confident88.9Confident2 Ų223.1 Ų23.12%0.02111%0.106CC..  trans-86.1-158.416800000112.4G437 A438 M514 V519G435-G437 PolarHBondContact O-N 3.39Å; G435-A438 PolarHBondContact O-N 3.41Å; G435-M514 WeakPolarHBondContact O-CG 3.21Å; G435-V519 PolarHBondContact N-O 3.03Å
436G85.4Confident89.1Confident17 Ų1728.3 Ų28.318%0.17513%0.125CC..THydrogen-bonded Turntrans71.627.1168.600000115.6A438 I504G436-A438 VanDerWaalsContact C-N 3.3Å; G436-A438 PolarHBondContact O-N 2.76Å; G436-I504 PolarHBondContact O-N 3.02Å
437G89Confident89.3Confident2 Ų228.3 Ų28.32%0.02113%0.125CC..THydrogen-bonded Turntrans83.21.1179.500000114.9G435 E440 M441G435-G437 PolarHBondContact O-N 3.39Å; G437-E440 VanDerWaalsContact C-OE2 3.27Å; G437-E440 WeakPolarHBondContact CA-OE2 3.36Å; G437-M441 WeakPolarHBondContact O-CB 3.47Å; G437-M441 PolarHBondContact O-N 3.41Å
438A91.3Very high89.7Confident1 Ų130.4 Ų30.41%0.00813%0.133CC..Hα-helixtrans-62.1-49.1176.900000113.3C434 G435 G436 E440 M441 E442 H495 A502C434-A438 HydrophobicContact CB-CB 3.94Å; G435-A438 PolarHBondContact O-N 3.41Å; G436-A438 VanDerWaalsContact C-N 3.3Å; G436-A438 PolarHBondContact O-N 2.76Å; A438-E440 VanDerWaalsContact C-N 3.34Å; A438-E440 PolarHBondContact O-N 2.93Å; A438-M441 PolarHBondContact O-N 2.99Å; A438-E442 PolarHBondContact O-N 3.05Å; A438-H495 PolarHBondContact O-NE2 3.21Å; A438-A502 VanDerWaalsContact CB-O 3.29Å; A438-A502 WeakPolarHBondContact CB-O 3.38Å
439P92.4Very high90.1Very high3 Ų329.9 Ų29.92%0.01914%0.135CC..Hα-helixtrans-69-34.6-175.924.6-29.5000112L139 M142 I433 C434 M441 L443 T526L139-P439 HydrophobicContact CD2-CB 3.62Å; M142-P439 HydrophobicContact CE-CB 4.25Å; I433-P439 HydrophobicContact CD1-CB 4.07Å; I433-P439 HydrophobicContact CD1-CG 4.07Å; C434-P439 VanDerWaalsContact O-CD 3.25Å; C434-P439 WeakPolarHBondContact O-CD 3.45Å; P439-M441 VanDerWaalsContact C-N 3.35Å; P439-L443 VanDerWaalsContact O-CB 3.26Å; P439-L443 WeakPolarHBondContact O-CB 3.39Å; P439-L443 WeakPolarHBondContact O-CD1 3.06Å; P439-L443 WeakPolarHBondContact O-CG 3.45Å; P439-L443 PolarHBondContact O-N 2.6Å; P439-T526 HydrophobicContact CB-CG2 4.31Å; P439-T526 HydrophobicContact CG-CG2 4.39Å
440E92.9Very high90.4Very high10 Ų1028.5 Ų28.55%0.04713%0.129CC..Hα-helixtrans-66.3-38176.3-62.179.9-172.100111.5G437 A438 A444 L469 I472G437-E440 VanDerWaalsContact C-OE2 3.27Å; G437-E440 WeakPolarHBondContact CA-OE2 3.36Å; A438-E440 VanDerWaalsContact C-N 3.34Å; A438-E440 PolarHBondContact O-N 2.93Å; E440-A444 WeakPolarHBondContact O-CB 3.48Å; E440-A444 PolarHBondContact O-N 2.86Å; E440-L469 HydrophobicContact CB-CB 4.46Å; E440-I472 HydrophobicContact CG-CB 3.98Å; E440-I472 HydrophobicContact CG-CG1 4.13Å; E440-I472 HydrophobicContact CG-CG2 4.21Å
441M92.4Very high90.6Very high2 Ų222.9 Ų22.91%0.0111%0.109CC..Hα-helixtrans-72.2-42.5178.1-16960.468.700112.6G437 A438 P439 A444 C445 E470 P473 I488 L491 R492 H495G437-M441 WeakPolarHBondContact O-CB 3.47Å; G437-M441 PolarHBondContact O-N 3.41Å; A438-M441 PolarHBondContact O-N 2.99Å; P439-M441 VanDerWaalsContact C-N 3.35Å; M441-A444 PolarHBondContact O-N 2.82Å; M441-C445 WeakPolarHBondContact O-CB 3.47Å; M441-C445 PolarHBondContact O-N 2.95Å; M441-E470 HydrophobicContact CE-CG 4.2Å; M441-E470 HydrophobicContact SD-CG 4.31Å; M441-P473 HydrophobicContact CE-CB 4.38Å; M441-P473 HydrophobicContact CE-CG 3.84Å; M441-I488 HydrophobicContact CE-CG2 4.05Å; M441-L491 HydrophobicContact CE-CB 3.84Å; M441-L491 HydrophobicContact CE-CD1 4.01Å; M441-L491 HydrophobicContact CG-CB 4.26Å; M441-R492 HydrophobicContact CE-CG 4.45Å; M441-R492 HydrophobicContact SD-CG 3.81Å; M441-H495 HydrophobicContact CG-CB 4.22Å; M441-H495 WeakPolarHBondContact CG-ND1 3.48Å
442E91.6Very high90.7Very high5 Ų526.1 Ų26.12%0.02313%0.129CC..Hα-helixtrans-63.2-44.9173.9-175.378.2-178.400110.5I138 M142 A438 A444 C445 R446 H495I138-E442 HydrophobicContact CG2-CG 4.29Å; M142-E442 HydrophobicContact CE-CB 3.76Å; M142-E442 HydrophobicContact CE-CG 3.91Å; M142-E442 HydrophobicContact CG-CG 4.1Å; M142-E442 HydrophobicContact SD-CB 3.33Å; M142-E442 WeakPolarHBondContact SD-CB 3.42Å; M142-E442 HydrophobicContact SD-CG 3.34Å; M142-E442 WeakPolarHBondContact SD-CG 3.48Å; A438-E442 PolarHBondContact O-N 3.05Å; E442-A444 VanDerWaalsContact C-N 3.31Å; E442-A444 PolarHBondContact O-N 3.06Å; E442-C445 PolarHBondContact O-N 3.06Å; E442-R446 HydrophobicContact CG-CG 4.13Å; E442-R446 WeakPolarHBondContact O-CG 3.45Å; E442-R446 PolarHBondContact O-N 3.06Å; E442-R446 IonicContact OE1-CZ 2.77Å; E442-R446 IonicContact OE1-NE 3.22Å; E442-R446 PolarHBondContact OE1-NE 2.75Å; E442-R446 IonicContact OE1-NH2 3.67Å; E442-R446 PolarHBondContact OE1-NH2 2.54Å; E442-H495 IonicContact OE2-CD2 2.6Å
443L92.3Very high90.8Very high0 Ų032.2 Ų32.20%016%0.155CC..Hα-helixtrans-57.4-45.6176.2-77.8171.9000111.2A135 I138 L139 P439 C445 R446 L447 L469 V530A135-L443 HydrophobicContact CB-CD1 4.45Å; A135-L443 HydrophobicContact CB-CD2 3.8Å; I138-L443 HydrophobicContact CB-CD2 3.74Å; I138-L443 HydrophobicContact CD1-CD2 3.95Å; I138-L443 HydrophobicContact CG1-CD2 4.46Å; I138-L443 HydrophobicContact CG2-CD2 3.72Å; I138-L443 HydrophobicContact CG2-CG 4.43Å; L139-L443 HydrophobicContact CD1-CD1 4.11Å; L139-L443 HydrophobicContact CD2-CD1 3.9Å; L139-L443 HydrophobicContact CD2-CG 4.14Å; L139-L443 HydrophobicContact CG-CD1 4.04Å; L139-L443 HydrophobicContact CG-CD2 4.18Å; L139-L443 HydrophobicContact CG-CG 4.3Å; P439-L443 VanDerWaalsContact O-CB 3.26Å; P439-L443 WeakPolarHBondContact O-CB 3.39Å; P439-L443 WeakPolarHBondContact O-CD1 3.06Å; P439-L443 WeakPolarHBondContact O-CG 3.45Å; P439-L443 PolarHBondContact O-N 2.6Å; L443-C445 PolarHBondContact O-N 2.95Å; L443-R446 PolarHBondContact O-N 3.21Å; L443-L447 VanDerWaalsContact O-CB 3.25Å; L443-L447 WeakPolarHBondContact O-CB 3.42Å; L443-L447 WeakPolarHBondContact O-CG 3.48Å; L443-L447 PolarHBondContact O-N 3.25Å; L443-L469 HydrophobicContact CB-CD1 3.59Å; L443-V530 HydrophobicContact CD1-CG2 4.38Å
444A93.1Very high90.5Very high0 Ų034.9 Ų34.90%017%0.17CC..Hα-helixtrans-60.2-44.6175.900000112.2E440 M441 E442 R448 A466 L469 E470E440-A444 WeakPolarHBondContact O-CB 3.48Å; E440-A444 PolarHBondContact O-N 2.86Å; M441-A444 PolarHBondContact O-N 2.82Å; E442-A444 VanDerWaalsContact C-N 3.31Å; E442-A444 PolarHBondContact O-N 3.06Å; A444-R448 VanDerWaalsContact O-CG 3.32Å; A444-R448 WeakPolarHBondContact O-CG 3.44Å; A444-R448 PolarHBondContact O-N 3.41Å; A444-A466 HydrophobicContact CB-CB 4.27Å; A444-A466 VanDerWaalsContact CB-O 3.29Å; A444-A466 WeakPolarHBondContact CB-O 3.43Å; A444-A466 WeakPolarHBondContact O-CB 3.4Å; A444-L469 HydrophobicContact CB-CB 4.36Å; A444-E470 HydrophobicContact CB-CG 4.12Å
445C91.4Very high90.2Very high27 Ų2740.4 Ų40.418%0.18221%0.205CC..Hα-helixtrans-62.4-47.8178.9-1680000112M441 E442 L443 R448 Q449M441-C445 WeakPolarHBondContact O-CB 3.47Å; M441-C445 PolarHBondContact O-N 2.95Å; E442-C445 PolarHBondContact O-N 3.06Å; L443-C445 PolarHBondContact O-N 2.95Å; C445-R448 PolarHBondContact O-N 3.45Å; C445-Q449 WeakPolarHBondContact O-CG 3.43Å; C445-Q449 PolarHBondContact O-N 2.86Å; C445-Q449 VanDerWaalsContact O-N 3.16Å
446R91.1Very high90Very high109 Ų10942.6 Ų42.641%0.41123%0.227SC..Hα-helixtrans-67-42.2179.7-66.1-63.5-174.41209.8112.2I138 E442 L443 R448 Q449 E450I138-R446 HydrophobicContact CD1-CB 3.73Å; I138-R446 HydrophobicContact CD1-CG 4.49Å; I138-R446 HydrophobicContact CG1-CB 4.22Å; I138-R446 HydrophobicContact CG1-CG 4.5Å; I138-R446 HydrophobicContact CG2-CB 4.24Å; I138-R446 HydrophobicContact CG2-CG 3.9Å; E442-R446 HydrophobicContact CG-CG 4.13Å; E442-R446 WeakPolarHBondContact O-CG 3.45Å; E442-R446 PolarHBondContact O-N 3.06Å; E442-R446 IonicContact OE1-CZ 2.77Å; E442-R446 IonicContact OE1-NE 3.22Å; E442-R446 PolarHBondContact OE1-NE 2.75Å; E442-R446 IonicContact OE1-NH2 3.67Å; E442-R446 PolarHBondContact OE1-NH2 2.54Å; L443-R446 PolarHBondContact O-N 3.21Å; R446-R448 VanDerWaalsContact C-N 3.3Å; R446-R448 PolarHBondContact O-N 3.13Å; R446-Q449 WeakPolarHBondContact O-CB 3.42Å; R446-Q449 PolarHBondContact O-N 3.12Å; R446-Q449 VanDerWaalsContact O-N 3.11Å; R446-E450 PolarHBondContact O-N 3.09Å
447L92.2Very high90.1Very high0 Ų045.7 Ų45.70%024%0.239CC..Hα-helixtrans-64.2-34.7176.6-73.2174.4000112.2A131 L134 L443 E450 A451 F465 A466 L469A131-L447 HydrophobicContact CB-CD2 4.37Å; L134-L447 HydrophobicContact CB-CD2 4.32Å; L134-L447 HydrophobicContact CD1-CD2 4.26Å; L443-L447 VanDerWaalsContact O-CB 3.25Å; L443-L447 WeakPolarHBondContact O-CB 3.42Å; L443-L447 WeakPolarHBondContact O-CG 3.48Å; L443-L447 PolarHBondContact O-N 3.25Å; L447-E450 PolarHBondContact O-N 3.29Å; L447-A451 WeakPolarHBondContact O-CB 3.45Å; L447-A451 PolarHBondContact O-N 3.34Å; L447-F465 HydrophobicContact CD1-CD1 3.49Å; L447-F465 VanDerWaalsContact CD1-CD1 3.49Å; L447-F465 HydrophobicContact CD1-CE1 3.9Å; L447-A466 HydrophobicContact CB-CB 3.96Å; L447-L469 HydrophobicContact CD1-CD1 3.85Å
448R91.8Very high90Very high58 Ų5849.9 Ų49.922%0.21926%0.257CS..Hα-helixtrans-64.1-39171.1-75177.3-174.4136.6-1.1112.4A444 C445 R446 A451 L452 A466 D467 E470A444-R448 VanDerWaalsContact O-CG 3.32Å; A444-R448 WeakPolarHBondContact O-CG 3.44Å; A444-R448 PolarHBondContact O-N 3.41Å; C445-R448 PolarHBondContact O-N 3.45Å; R446-R448 VanDerWaalsContact C-N 3.3Å; R446-R448 PolarHBondContact O-N 3.13Å; R448-A451 WeakPolarHBondContact O-CB 3.32Å; R448-A451 PolarHBondContact O-N 2.99Å; R448-L452 PolarHBondContact O-N 3.44Å; R448-A466 HydrophobicContact CG-CB 3.76Å; R448-D467 IonicContact CZ-OD1 2.76Å; R448-D467 IonicContact NE-OD1 2.72Å; R448-D467 PolarHBondContact NE-OD1 3.14Å; R448-D467 IonicContact NH2-OD1 3.22Å; R448-D467 PolarHBondContact NH2-OD1 3.48Å; R448-E470 IonicContact CZ-OE1 2.73Å; R448-E470 IonicContact NH1-OE1 3.46Å; R448-E470 PolarHBondContact NH1-OE1 3.48Å; R448-E470 IonicContact NH2-OE1 3.31Å; R448-E470 PolarHBondContact NH2-OE1 2.75Å; R448-E470 IonicContact NH2-OE2 3.18Å; R448-E470 PolarHBondContact NH2-OE2 3.05Å
449Q90.8Very high90Very high93 Ų9350.5 Ų50.544%0.43526%0.262SS..Hα-helixtrans-66.2-42.3175-66.9172.57.900111.6C445 R446 A451 L452 K453C445-Q449 WeakPolarHBondContact O-CG 3.43Å; C445-Q449 PolarHBondContact O-N 2.86Å; C445-Q449 VanDerWaalsContact O-N 3.16Å; R446-Q449 WeakPolarHBondContact O-CB 3.42Å; R446-Q449 PolarHBondContact O-N 3.12Å; R446-Q449 VanDerWaalsContact O-N 3.11Å; Q449-A451 VanDerWaalsContact C-N 3.3Å; Q449-A451 PolarHBondContact O-N 3.1Å; Q449-L452 PolarHBondContact O-N 2.63Å; Q449-K453 PolarHBondContact O-N 3.36Å
450E89.7Confident89.9Confident55 Ų5556.5 Ų56.526%0.25729%0.285SS..Hα-helixtrans-66.8-31.4174.9-69.8-56135.500112.5R446 L447 L452 K453 N454 Y462R446-E450 PolarHBondContact O-N 3.09Å; L447-E450 PolarHBondContact O-N 3.29Å; E450-L452 VanDerWaalsContact C-N 3.29Å; E450-L452 PolarHBondContact O-N 3.04Å; E450-K453 PolarHBondContact O-N 2.92Å; E450-K453 IonicContact OE1-NZ 4Å; E450-K453 PolarHBondContact OE1-NZ 3Å; E450-K453 IonicContact OE2-NZ 3.4Å; E450-N454 PolarHBondContact O-N 2.89Å; E450-N454 PolarHBondContact O-ND2 3.46Å; E450-Y462 HydrophobicContact CB-CD2 4.37Å
451A90.3Very high89.9Confident3 Ų356 Ų563%0.02528%0.283CS..Hα-helixtrans-65.1-32.2173.800000112.7L447 R448 Q449 A459 Q463L447-A451 WeakPolarHBondContact O-CB 3.45Å; L447-A451 PolarHBondContact O-N 3.34Å; R448-A451 WeakPolarHBondContact O-CB 3.32Å; R448-A451 PolarHBondContact O-N 2.99Å; Q449-A451 VanDerWaalsContact C-N 3.3Å; Q449-A451 PolarHBondContact O-N 3.1Å; A451-A459 WeakPolarHBondContact O-CB 2.96Å; A451-Q463 HydrophobicContact CB-CG 3.74Å
452L90.6Very high89.9Confident144 Ų14456.6 Ų56.675%0.75429%0.285SS*.Hα-helixtrans-72.3-30.2175.8-68.8171.4000112.5R448 Q449 E450R448-L452 PolarHBondContact O-N 3.44Å; Q449-L452 PolarHBondContact O-N 2.63Å; E450-L452 VanDerWaalsContact C-N 3.29Å; E450-L452 PolarHBondContact O-N 3.04Å
453K90.5Very high89.9Confident137 Ų13759.9 Ų59.960%0.59630%0.3SS*.Hα-helixtrans-76.2-32.8179.1-65.4176.4-171.8169.10112.8Q449 E450 P455Q449-K453 PolarHBondContact O-N 3.36Å; E450-K453 PolarHBondContact O-N 2.92Å; E450-K453 IonicContact OE1-NZ 4Å; E450-K453 PolarHBondContact OE1-NZ 3Å; E450-K453 IonicContact OE2-NZ 3.4Å; K453-P455 VanDerWaalsContact O-CD 3.28Å; K453-P455 WeakPolarHBondContact O-CD 3.19Å
454N84.8Confident90Very high58 Ų5860.5 Ų60.531%0.3131%0.306SS..SBendtrans-94.6108.7-176.9-70.2-57000110.6E450 A459E450-N454 PolarHBondContact O-N 2.89Å; E450-N454 PolarHBondContact O-ND2 3.46Å; N454-A459 WeakPolarHBondContact O-CB 3.21Å
455P82.7Confident90Very high123 Ų12360.6 Ų60.680%0.79931%0.306SS*.  trans-72.8152.7175.429.4-34.3000112K453K453-P455 VanDerWaalsContact O-CD 3.28Å; K453-P455 WeakPolarHBondContact O-CD 3.19Å
456G84.4Confident90.1Very high47 Ų4759.3 Ų59.349%0.48530%0.297SS..SBendtrans101.6-158.3169.800000114.8K458 A459G456-K458 PolarHBondContact O-N 3.12Å; G456-A459 VanDerWaalsContact O-CB 3.3Å; G456-A459 WeakPolarHBondContact O-CB 3.38Å; G456-A459 PolarHBondContact O-N 3.07Å; G456-A459 VanDerWaalsContact O-N 3.17Å
457I86.3Confident90.3Very high82 Ų8257.9 Ų57.942%0.42130%0.298SS..Hα-helixtrans-62.6-31-173.1-61.8168.8000111.8L119 V123 A459 Y460 C461L119-I457 HydrophobicContact CD1-CG2 4.1Å; L119-I457 HydrophobicContact CD2-CB 4.45Å; L119-I457 HydrophobicContact CD2-CD1 4.31Å; L119-I457 HydrophobicContact CD2-CG1 4.17Å; L119-I457 HydrophobicContact CD2-CG2 3.51Å; L119-I457 HydrophobicContact CG-CG2 4.39Å; V123-I457 HydrophobicContact CG1-CB 4.37Å; V123-I457 HydrophobicContact CG1-CG2 3.57Å; I457-A459 VanDerWaalsContact C-N 3.29Å; I457-A459 PolarHBondContact O-N 3.38Å; I457-Y460 PolarHBondContact O-N 2.98Å; I457-C461 PolarHBondContact O-N 2.95Å; I457-C461 PolarHBondContact O-SG 3.06Å; I457-C461 VanDerWaalsContact O-SG 3.35Å
458K87.4Confident90.4Very high91 Ų9158 Ų5840%0.39630%0.299SS..Hα-helixtrans-61.5-36.1178.2-65-172.7174.6-160.50112.4E130 G456 Y460 C461 Y462E130-K458 IonicContact OE1-NZ 3.94Å; E130-K458 PolarHBondContact OE1-NZ 2.85Å; E130-K458 WeakPolarHBondContact OE2-CD 3.19Å; E130-K458 VanDerWaalsContact OE2-CE 3.24Å; E130-K458 WeakPolarHBondContact OE2-CE 3.29Å; E130-K458 IonicContact OE2-NZ 2.93Å; E130-K458 PolarHBondContact OE2-NZ 2.62Å; G456-K458 PolarHBondContact O-N 3.12Å; K458-Y460 VanDerWaalsContact C-N 3.31Å; K458-Y460 PolarHBondContact O-N 3.38Å; K458-C461 WeakPolarHBondContact O-CB 3.43Å; K458-C461 PolarHBondContact O-N 3.29Å; K458-C461 VanDerWaalsContact O-N 3.1Å; K458-Y462 WeakPolarHBondContact O-CD1 3.39Å; K458-Y462 PolarHBondContact O-N 2.88Å
459A90.8Very high90.5Very high14 Ų1455.4 Ų55.412%0.11629%0.289CS..Hα-helixtrans-55.5-47.5176.700000111.7A451 N454 G456 I457 C461 Y462 Q463A451-A459 WeakPolarHBondContact O-CB 2.96Å; N454-A459 WeakPolarHBondContact O-CB 3.21Å; G456-A459 VanDerWaalsContact O-CB 3.3Å; G456-A459 WeakPolarHBondContact O-CB 3.38Å; G456-A459 PolarHBondContact O-N 3.07Å; G456-A459 VanDerWaalsContact O-N 3.17Å; I457-A459 VanDerWaalsContact C-N 3.29Å; I457-A459 PolarHBondContact O-N 3.38Å; A459-C461 VanDerWaalsContact C-N 3.31Å; A459-C461 PolarHBondContact O-N 2.73Å; A459-Y462 PolarHBondContact O-N 2.99Å; A459-Q463 WeakPolarHBondContact O-CG 3.49Å; A459-Q463 PolarHBondContact O-N 2.8Å
460Y91.3Very high90.6Very high129 Ų12951.7 Ų51.751%0.50627%0.272SS..Hα-helixtrans-64.6-36.8178.8-66.8-76.9000112.1I457 K458 A464I457-Y460 PolarHBondContact O-N 2.98Å; K458-Y460 VanDerWaalsContact C-N 3.31Å; K458-Y460 PolarHBondContact O-N 3.38Å; Y460-A464 VanDerWaalsContact O-CB 3.28Å; Y460-A464 WeakPolarHBondContact O-CB 3.49Å; Y460-A464 PolarHBondContact O-N 3.5Å
461C91.4Very high90.8Very high0 Ų050.1 Ų50.10%027%0.265CS..Hα-helixtrans-67.1-42.7176.2-58.20000111.1F128 I457 K458 A459 A464 F465F128-C461 HydrophobicContact CD1-CB 4.26Å; F128-C461 HydrophobicContact CE1-CB 4.31Å; F128-C461 WeakPolarHBondContact CE1-O 3.47Å; I457-C461 PolarHBondContact O-N 2.95Å; I457-C461 PolarHBondContact O-SG 3.06Å; I457-C461 VanDerWaalsContact O-SG 3.35Å; K458-C461 WeakPolarHBondContact O-CB 3.43Å; K458-C461 PolarHBondContact O-N 3.29Å; K458-C461 VanDerWaalsContact O-N 3.1Å; A459-C461 VanDerWaalsContact C-N 3.31Å; A459-C461 PolarHBondContact O-N 2.73Å; C461-A464 PolarHBondContact O-N 2.81Å; C461-F465 WeakPolarHBondContact O-CB 3.35Å; C461-F465 PolarHBondContact O-N 2.92Å
462Y92.7Very high91Very high14 Ų1450.2 Ų50.26%0.05527%0.265CS..Hα-helixtrans-68.1-39.8179.4-74.716.9000111.7G127 E130 A131 L134 E450 K458 A459 F465 A466G127-Y462 WeakPolarHBondContact O-CE1 3.44Å; E130-Y462 HydrophobicContact CB-CE1 4.17Å; E130-Y462 WeakPolarHBondContact CB-OH 3.43Å; A131-Y462 HydrophobicContact CB-CD1 3.8Å; A131-Y462 HydrophobicContact CB-CE1 3.92Å; A131-Y462 HydrophobicContact CB-CG 4.47Å; L134-Y462 HydrophobicContact CD1-CE2 3.89Å; E450-Y462 HydrophobicContact CB-CD2 4.37Å; K458-Y462 WeakPolarHBondContact O-CD1 3.39Å; K458-Y462 PolarHBondContact O-N 2.88Å; A459-Y462 PolarHBondContact O-N 2.99Å; Y462-F465 PolarHBondContact O-N 3.06Å; Y462-A466 WeakPolarHBondContact O-CB 3.36Å; Y462-A466 PolarHBondContact O-N 2.89Å
463Q92.9Very high91.2Very high73 Ų7343.3 Ų43.334%0.34123%0.229SC..Hα-helixtrans-61.7-48.2173.1-74.1176.3-5.300111.5A451 A459 F465 A466 D467A451-Q463 HydrophobicContact CB-CG 3.74Å; A459-Q463 WeakPolarHBondContact O-CG 3.49Å; A459-Q463 PolarHBondContact O-N 2.8Å; Q463-F465 VanDerWaalsContact C-N 3.3Å; Q463-F465 PolarHBondContact O-N 2.95Å; Q463-A466 WeakPolarHBondContact O-CB 3.47Å; Q463-A466 PolarHBondContact O-N 3.43Å; Q463-D467 VanDerWaalsContact O-CG 3.29Å; Q463-D467 PolarHBondContact O-N 3.05Å
464A93.3Very high91.3Very high14 Ų1440.7 Ų40.712%0.11622%0.216CC..Hα-helixtrans-62.8-37.2178.300000112.3A110 L114 F128 Y460 C461 A468A110-A464 HydrophobicContact CB-CB 4.31Å; L114-A464 HydrophobicContact CD1-CB 3.82Å; L114-A464 HydrophobicContact CD2-CB 4.28Å; L114-A464 HydrophobicContact CG-CB 4.18Å; F128-A464 HydrophobicContact CE1-CB 4.38Å; Y460-A464 VanDerWaalsContact O-CB 3.28Å; Y460-A464 WeakPolarHBondContact O-CB 3.49Å; Y460-A464 PolarHBondContact O-N 3.5Å; C461-A464 PolarHBondContact O-N 2.81Å; A464-A468 WeakPolarHBondContact O-CB 3.36Å; A464-A468 PolarHBondContact O-N 3.39Å
465F93.9Very high91.7Very high1 Ų138 Ų380%0.00420%0.201CC..Hα-helixtrans-66.3-43.7174.3-166.2-79.6000111.5L107 F128 A131 L447 C461 Y462 Q463 D467 A468 L469 V530L107-F465 HydrophobicContact CD1-CE2 3.95Å; L107-F465 HydrophobicContact CD1-CZ 4.48Å; L107-F465 HydrophobicContact CD2-CD2 3.37Å; L107-F465 HydrophobicContact CD2-CE2 3.61Å; L107-F465 HydrophobicContact CD2-CG 3.97Å; L107-F465 HydrophobicContact CD2-CZ 4.39Å; L107-F465 HydrophobicContact CG-CE2 4.47Å; F128-F465 HydrophobicContact CB-CD2 4.08Å; F128-F465 HydrophobicContact CB-CE2 4.37Å; F128-F465 HydrophobicContact CD1-CB 4.25Å; F128-F465 AromaticContact CD1-CD2 3.95Å; F128-F465 HydrophobicContact CD1-CD2 3.95Å; F128-F465 HydrophobicContact CE1-CB 4.35Å; F128-F465 HydrophobicContact CG-CD2 4.04Å; A131-F465 HydrophobicContact CB-CB 4.22Å; A131-F465 HydrophobicContact CB-CD1 4.14Å; A131-F465 HydrophobicContact CB-CD2 4.09Å; A131-F465 HydrophobicContact CB-CE2 4.49Å; A131-F465 HydrophobicContact CB-CG 3.89Å; L447-F465 HydrophobicContact CD1-CD1 3.49Å; L447-F465 VanDerWaalsContact CD1-CD1 3.49Å; L447-F465 HydrophobicContact CD1-CE1 3.9Å; C461-F465 WeakPolarHBondContact O-CB 3.35Å; C461-F465 PolarHBondContact O-N 2.92Å; Y462-F465 PolarHBondContact O-N 3.06Å; Q463-F465 VanDerWaalsContact C-N 3.3Å; Q463-F465 PolarHBondContact O-N 2.95Å; F465-D467 PolarHBondContact O-N 2.98Å; F465-A468 WeakPolarHBondContact O-CB 3.25Å; F465-A468 PolarHBondContact O-N 2.75Å; F465-L469 HydrophobicContact CD1-CD1 4.09Å; F465-L469 HydrophobicContact CD1-CG 4.21Å; F465-L469 HydrophobicContact CE1-CD1 3.99Å; F465-L469 HydrophobicContact CE1-CD2 4.14Å; F465-L469 HydrophobicContact CE1-CG 4.11Å; F465-L469 PolarHBondContact O-N 3.06Å; F465-V530 HydrophobicContact CE1-CG1 4.29Å; F465-V530 HydrophobicContact CZ-CG1 3.91Å
466A93.9Very high92.2Very high0 Ų033 Ų330%017%0.168CC..Hα-helixtrans-61.6-42.7176.500000112.2A444 L447 R448 Y462 Q463 A468 L469A444-A466 HydrophobicContact CB-CB 4.27Å; A444-A466 VanDerWaalsContact CB-O 3.29Å; A444-A466 WeakPolarHBondContact CB-O 3.43Å; A444-A466 WeakPolarHBondContact O-CB 3.4Å; L447-A466 HydrophobicContact CB-CB 3.96Å; R448-A466 HydrophobicContact CG-CB 3.76Å; Y462-A466 WeakPolarHBondContact O-CB 3.36Å; Y462-A466 PolarHBondContact O-N 2.89Å; Q463-A466 WeakPolarHBondContact O-CB 3.47Å; Q463-A466 PolarHBondContact O-N 3.43Å; A466-A468 VanDerWaalsContact C-N 3.28Å; A466-A468 PolarHBondContact O-N 2.91Å; A466-L469 PolarHBondContact O-N 3.39Å
467D93.6Very high92.6Very high80 Ų8030.8 Ų30.843%0.42815%0.145SC..Hα-helixtrans-66.2-32176-65.9-20.2000111.8R448 Q463 F465 E470R448-D467 IonicContact CZ-OD1 2.76Å; R448-D467 IonicContact NE-OD1 2.72Å; R448-D467 PolarHBondContact NE-OD1 3.14Å; R448-D467 IonicContact NH2-OD1 3.22Å; R448-D467 PolarHBondContact NH2-OD1 3.48Å; Q463-D467 VanDerWaalsContact O-CG 3.29Å; Q463-D467 PolarHBondContact O-N 3.05Å; F465-D467 PolarHBondContact O-N 2.98Å; D467-E470 PolarHBondContact O-N 2.87Å
468A94.5Very high92.9Very high2 Ų230.3 Ų30.32%0.01714%0.141CC..Hα-helixtrans-68.3-33.1176.500000112.9Q106 L107 A110 A464 F465 A466 E470 I471Q106-A468 HydrophobicContact CB-CB 4.37Å; Q106-A468 HydrophobicContact CG-CB 3.8Å; Q106-A468 WeakPolarHBondContact CG-O 3.36Å; L107-A468 HydrophobicContact CD2-CB 3.62Å; L107-A468 HydrophobicContact CG-CB 4.13Å; A110-A468 HydrophobicContact CB-CB 4.31Å; A464-A468 WeakPolarHBondContact O-CB 3.36Å; A464-A468 PolarHBondContact O-N 3.39Å; F465-A468 WeakPolarHBondContact O-CB 3.25Å; F465-A468 PolarHBondContact O-N 2.75Å; A466-A468 VanDerWaalsContact C-N 3.28Å; A466-A468 PolarHBondContact O-N 2.91Å; A468-E470 VanDerWaalsContact C-N 3.27Å; A468-E470 PolarHBondContact O-N 3.5Å; A468-I471 WeakPolarHBondContact O-CG2 3.47Å; A468-I471 PolarHBondContact O-N 2.77Å
469L94Very high93.1Very high3 Ų327.6 Ų27.62%0.01613%0.131CC..Hα-helixtrans-66-28.3178.5-69173.9000113L103 E440 L443 A444 L447 F465 A466 I471 I472 V530L103-L469 HydrophobicContact CD2-CD2 4Å; E440-L469 HydrophobicContact CB-CB 4.46Å; L443-L469 HydrophobicContact CB-CD1 3.59Å; A444-L469 HydrophobicContact CB-CB 4.36Å; L447-L469 HydrophobicContact CD1-CD1 3.85Å; F465-L469 HydrophobicContact CD1-CD1 4.09Å; F465-L469 HydrophobicContact CD1-CG 4.21Å; F465-L469 HydrophobicContact CE1-CD1 3.99Å; F465-L469 HydrophobicContact CE1-CD2 4.14Å; F465-L469 HydrophobicContact CE1-CG 4.11Å; F465-L469 PolarHBondContact O-N 3.06Å; A466-L469 PolarHBondContact O-N 3.39Å; L469-I471 PolarHBondContact O-N 2.9Å; L469-I471 VanDerWaalsContact O-N 3.14Å; L469-I472 PolarHBondContact O-N 3.39Å; L469-V530 HydrophobicContact CD2-CG2 4.42Å
470E94.1Very high93.1Very high16 Ų1628.4 Ų28.48%0.07514%0.137CC..THydrogen-bonded Turntrans-68.9-9.2179.9-66.4-173.1170.100114.1M441 A444 R448 D467 A468 I472 P473 Y474 R492M441-E470 HydrophobicContact CE-CG 4.2Å; M441-E470 HydrophobicContact SD-CG 4.31Å; A444-E470 HydrophobicContact CB-CG 4.12Å; R448-E470 IonicContact CZ-OE1 2.73Å; R448-E470 IonicContact NH1-OE1 3.46Å; R448-E470 PolarHBondContact NH1-OE1 3.48Å; R448-E470 IonicContact NH2-OE1 3.31Å; R448-E470 PolarHBondContact NH2-OE1 2.75Å; R448-E470 IonicContact NH2-OE2 3.18Å; R448-E470 PolarHBondContact NH2-OE2 3.05Å; D467-E470 PolarHBondContact O-N 2.87Å; A468-E470 VanDerWaalsContact C-N 3.27Å; A468-E470 PolarHBondContact O-N 3.5Å; E470-I472 PolarHBondContact O-N 3.04Å; E470-P473 VanDerWaalsContact O-CD 3.28Å; E470-P473 WeakPolarHBondContact O-CD 3.41Å; E470-P473 VanDerWaalsContact O-CG 3.31Å; E470-P473 WeakPolarHBondContact O-CG 3.23Å; E470-Y474 VanDerWaalsContact O-CB 3.26Å; E470-Y474 WeakPolarHBondContact O-CB 3.32Å; E470-Y474 PolarHBondContact O-N 2.93Å; E470-R492 VanDerWaalsContact CD-NH2 3.35Å; E470-R492 IonicContact OE1-CZ 3.35Å; E470-R492 IonicContact OE1-NE 2.78Å; E470-R492 PolarHBondContact OE1-NE 3.26Å; E470-R492 IonicContact OE1-NH2 3.36Å; E470-R492 PolarHBondContact OE1-NH2 2.87Å; E470-R492 IonicContact OE2-CZ 3.42Å; E470-R492 IonicContact OE2-NE 3.44Å; E470-R492 PolarHBondContact OE2-NE 3.43Å; E470-R492 IonicContact OE2-NH2 2.63Å; E470-R492 PolarHBondContact OE2-NH2 3.04Å
471I94.2Very high93.1Very high21 Ų2125.6 Ų25.611%0.10815%0.148CC..Hα-helixtrans-61.3-30.7175.6-165.158.5000112.2V102 L103 Q106 A468 L469 Y474 T475V102-I471 HydrophobicContact CG1-CG1 4.02Å; V102-I471 HydrophobicContact CG1-CG2 3.99Å; L103-I471 HydrophobicContact CD2-CG2 4.21Å; Q106-I471 HydrophobicContact CB-CB 4.09Å; Q106-I471 HydrophobicContact CB-CG1 4.25Å; Q106-I471 HydrophobicContact CB-CG2 3.81Å; Q106-I471 HydrophobicContact CG-CB 3.83Å; Q106-I471 HydrophobicContact CG-CG1 4.21Å; Q106-I471 HydrophobicContact CG-CG2 4.02Å; A468-I471 WeakPolarHBondContact O-CG2 3.47Å; A468-I471 PolarHBondContact O-N 2.77Å; L469-I471 PolarHBondContact O-N 2.9Å; L469-I471 VanDerWaalsContact O-N 3.14Å; I471-Y474 HydrophobicContact CD1-CD1 4.39Å; I471-Y474 WeakPolarHBondContact O-CB 3.5Å; I471-Y474 PolarHBondContact O-N 3.35Å; I471-T475 HydrophobicContact CD1-CG2 4.01Å; I471-T475 HydrophobicContact CG1-CG2 4.05Å; I471-T475 WeakPolarHBondContact O-CB 3.39Å; I471-T475 WeakPolarHBondContact O-CG2 3.38Å; I471-T475 PolarHBondContact O-N 3.45Å; I471-T475 PolarHBondContact O-OG1 3.5Å
472I93.8Very high93Very high5 Ų527.7 Ų27.73%0.02616%0.159CC..Hα-helixtrans-68.2-55.9-179.6-59.3-54.3000111.3L43 T99 V102 L103 E440 L469 E470 Y474 T475 L476L43-I472 HydrophobicContact CD2-CD1 3.89Å; L43-I472 HydrophobicContact CD2-CG2 4.41Å; T99-I472 HydrophobicContact CG2-CD1 3.68Å; T99-I472 HydrophobicContact CG2-CG1 4.02Å; T99-I472 HydrophobicContact CG2-CG2 4.47Å; V102-I472 HydrophobicContact CB-CD1 4.14Å; V102-I472 HydrophobicContact CG1-CD1 3.85Å; L103-I472 HydrophobicContact CD2-CD1 4.07Å; L103-I472 HydrophobicContact CD2-CG1 3.61Å; L103-I472 HydrophobicContact CG-CD1 4.02Å; L103-I472 HydrophobicContact CG-CG1 4Å; E440-I472 HydrophobicContact CG-CB 3.98Å; E440-I472 HydrophobicContact CG-CG1 4.13Å; E440-I472 HydrophobicContact CG-CG2 4.21Å; L469-I472 PolarHBondContact O-N 3.39Å; E470-I472 PolarHBondContact O-N 3.04Å; I472-Y474 VanDerWaalsContact C-N 3.25Å; I472-Y474 PolarHBondContact O-N 2.94Å; I472-T475 PolarHBondContact O-N 2.79Å; I472-T475 PolarHBondContact O-OG1 3.48Å; I472-L476 HydrophobicContact CG2-CD1 4.25Å; I472-L476 WeakPolarHBondContact O-CB 3.22Å; I472-L476 VanDerWaalsContact O-CG 3.29Å; I472-L476 WeakPolarHBondContact O-CG 3.06Å; I472-L476 PolarHBondContact O-N 3.3Å
473P93.7Very high93Very high0 Ų031.9 Ų31.90%018%0.182CC..Hα-helixtrans-61.7-33.6172.721.4-30.6000112.5M441 E470 L476 A477 L491 I504M441-P473 HydrophobicContact CE-CB 4.38Å; M441-P473 HydrophobicContact CE-CG 3.84Å; E470-P473 VanDerWaalsContact O-CD 3.28Å; E470-P473 WeakPolarHBondContact O-CD 3.41Å; E470-P473 VanDerWaalsContact O-CG 3.31Å; E470-P473 WeakPolarHBondContact O-CG 3.23Å; P473-L476 PolarHBondContact O-N 2.89Å; P473-A477 WeakPolarHBondContact O-CB 3.48Å; P473-A477 PolarHBondContact O-N 3.43Å; P473-L491 HydrophobicContact CB-CD1 3.91Å; P473-I504 HydrophobicContact CB-CD1 3.76Å; P473-I504 WeakPolarHBondContact O-CD1 3.39Å
474Y94.4Very high92.9Very high82 Ų8229.4 Ų29.432%0.32217%0.173SC..Hα-helixtrans-57.4-50.9174.3-173.3-78.8000111.8E470 I471 I472 A477 E478 P484 I488E470-Y474 VanDerWaalsContact O-CB 3.26Å; E470-Y474 WeakPolarHBondContact O-CB 3.32Å; E470-Y474 PolarHBondContact O-N 2.93Å; I471-Y474 HydrophobicContact CD1-CD1 4.39Å; I471-Y474 WeakPolarHBondContact O-CB 3.5Å; I471-Y474 PolarHBondContact O-N 3.35Å; I472-Y474 VanDerWaalsContact C-N 3.25Å; I472-Y474 PolarHBondContact O-N 2.94Å; Y474-A477 PolarHBondContact O-N 3.25Å; Y474-E478 WeakPolarHBondContact O-CB 3.2Å; Y474-E478 PolarHBondContact O-N 2.84Å; Y474-P484 HydrophobicContact CD1-CB 4.25Å; Y474-P484 HydrophobicContact CD2-CB 3.79Å; Y474-P484 HydrophobicContact CD2-CG 4.45Å; Y474-P484 HydrophobicContact CE1-CB 4.13Å; Y474-P484 HydrophobicContact CE1-CG 4.19Å; Y474-P484 HydrophobicContact CE2-CB 3.63Å; Y474-P484 HydrophobicContact CE2-CG 3.8Å; Y474-P484 HydrophobicContact CG-CB 4.06Å; Y474-I488 HydrophobicContact CD2-CD1 3.4Å; Y474-I488 HydrophobicContact CE2-CD1 4.44Å; Y474-I488 HydrophobicContact CG-CD1 3.97Å
475T93.3Very high92.9Very high0 Ų034.1 Ų34.10%020%0.195CC..Hα-helixtrans-73.2-32.9-176.448.10000112.3R40 L43 I471 I472 A477 E478 N479R40-T475 HydrophobicContact CG-CG2 3.33Å; L43-T475 WeakPolarHBondContact CD2-OG1 3.33Å; I471-T475 HydrophobicContact CD1-CG2 4.01Å; I471-T475 HydrophobicContact CG1-CG2 4.05Å; I471-T475 WeakPolarHBondContact O-CB 3.39Å; I471-T475 WeakPolarHBondContact O-CG2 3.38Å; I471-T475 PolarHBondContact O-N 3.45Å; I471-T475 PolarHBondContact O-OG1 3.5Å; I472-T475 PolarHBondContact O-N 2.79Å; I472-T475 PolarHBondContact O-OG1 3.48Å; T475-A477 VanDerWaalsContact C-N 3.34Å; T475-E478 PolarHBondContact O-N 2.85Å; T475-N479 WeakPolarHBondContact O-CB 3.45Å; T475-N479 VanDerWaalsContact O-CG 3.31Å; T475-N479 PolarHBondContact O-N 3.36Å; T475-N479 PolarHBondContact O-ND2 2.93Å
476L92.4Very high92.8Very high19 Ų1936.1 Ų36.110%0.09921%0.211CC..Hα-helixtrans-61.7-40.8169.6-71.4176.2000112.1I472 P473 A480 I504I472-L476 HydrophobicContact CG2-CD1 4.25Å; I472-L476 WeakPolarHBondContact O-CB 3.22Å; I472-L476 VanDerWaalsContact O-CG 3.29Å; I472-L476 WeakPolarHBondContact O-CG 3.06Å; I472-L476 PolarHBondContact O-N 3.3Å; P473-L476 PolarHBondContact O-N 2.89Å; L476-A480 WeakPolarHBondContact O-CB 3Å; L476-A480 PolarHBondContact O-N 3.35Å; L476-A480 VanDerWaalsContact O-N 3.1Å; L476-I504 HydrophobicContact CB-CD1 4.25Å
477A93.2Very high92.7Very high0 Ų036.9 Ų36.90%022%0.216CC..Hα-helixtrans-69.3-42.1175.600000112P473 Y474 T475 A480 G481 L482 P484 T487 I504P473-A477 WeakPolarHBondContact O-CB 3.48Å; P473-A477 PolarHBondContact O-N 3.43Å; Y474-A477 PolarHBondContact O-N 3.25Å; T475-A477 VanDerWaalsContact C-N 3.34Å; A477-A480 PolarHBondContact O-N 3.09Å; A477-G481 PolarHBondContact O-N 3.35Å; A477-L482 HydrophobicContact CB-CB 4.29Å; A477-L482 PolarHBondContact O-N 2.97Å; A477-P484 HydrophobicContact CB-CB 4.13Å; A477-T487 HydrophobicContact CB-CG2 4.29Å; A477-T487 VanDerWaalsContact CB-OG1 3.24Å; A477-T487 WeakPolarHBondContact CB-OG1 3.25Å; A477-I504 HydrophobicContact CB-CD1 4.21Å
478E93Very high92.6Very high72 Ų7233.7 Ų33.734%0.33620%0.199SC..Hα-helixtrans-58.8-51.3176.4-171.4-179.2-174.400111R40 Y474 T475 A480 G481R40-E478 IonicContact CZ-OE1 2.74Å; R40-E478 IonicContact CZ-OE2 2.95Å; R40-E478 IonicContact NE-OE2 3.09Å; R40-E478 PolarHBondContact NE-OE2 3.4Å; R40-E478 IonicContact NH2-OE1 3.98Å; R40-E478 PolarHBondContact NH2-OE1 3.33Å; R40-E478 IonicContact NH2-OE2 2.7Å; R40-E478 PolarHBondContact NH2-OE2 3.37Å; Y474-E478 WeakPolarHBondContact O-CB 3.2Å; Y474-E478 PolarHBondContact O-N 2.84Å; T475-E478 PolarHBondContact O-N 2.85Å; E478-A480 VanDerWaalsContact C-N 3.25Å; E478-A480 PolarHBondContact O-N 3.15Å; E478-G481 PolarHBondContact O-N 2.84Å
479N91.8Very high92.5Very high35 Ų3536.9 Ų36.919%0.18722%0.218CC..Hα-helixtrans-68.7-24.2179.2-67.5-19.2000112.6R40 L43 R46 T475 G481R40-N479 PolarHBondContact O-ND2 3.4Å; R40-N479 VanDerWaalsContact O-ND2 3.08Å; L43-N479 PolarHBondContact O-ND2 3.24Å; R46-N479 VanDerWaalsContact CB-O 3.31Å; R46-N479 WeakPolarHBondContact CB-O 3.41Å; T475-N479 WeakPolarHBondContact O-CB 3.45Å; T475-N479 VanDerWaalsContact O-CG 3.31Å; T475-N479 PolarHBondContact O-N 3.36Å; T475-N479 PolarHBondContact O-ND2 2.93Å; N479-G481 VanDerWaalsContact C-N 3.27Å
480A89.7Confident92.4Very high30 Ų3041.6 Ų41.625%0.24824%0.24CC..THydrogen-bonded Turntrans-77.2-9.9172.200000113.7L476 A477 E478 L482 V506L476-A480 WeakPolarHBondContact O-CB 3Å; L476-A480 PolarHBondContact O-N 3.35Å; L476-A480 VanDerWaalsContact O-N 3.1Å; A477-A480 PolarHBondContact O-N 3.09Å; E478-A480 VanDerWaalsContact C-N 3.25Å; E478-A480 PolarHBondContact O-N 3.15Å; A480-L482 VanDerWaalsContact C-N 3.28Å; A480-L482 HydrophobicContact CB-CD1 4.16Å; A480-L482 HydrophobicContact CB-CG 4Å; A480-V506 HydrophobicContact CB-CG1 3.7Å; A480-V506 HydrophobicContact CB-CG2 4.48Å
481G90.4Very high92.2Very high71 Ų7140.9 Ų40.973%0.73224%0.237SC*.THydrogen-bonded Turntrans73.816.5-172.700000114A477 E478 N479A477-G481 PolarHBondContact O-N 3.35Å; E478-G481 PolarHBondContact O-N 2.84Å; N479-G481 VanDerWaalsContact C-N 3.27Å
482L90.2Very high92Very high43 Ų4344.8 Ų44.823%0.22525%0.25CS..SBendtrans-84.3161.3174.4-60.4175.8000110.2A477 A480 P484 T487 I504A477-L482 HydrophobicContact CB-CB 4.29Å; A477-L482 PolarHBondContact O-N 2.97Å; A480-L482 VanDerWaalsContact C-N 3.28Å; A480-L482 HydrophobicContact CB-CD1 4.16Å; A480-L482 HydrophobicContact CB-CG 4Å; L482-P484 WeakPolarHBondContact O-CD 3.47Å; L482-T487 HydrophobicContact CB-CG2 3.99Å; L482-T487 HydrophobicContact CD1-CG2 4.09Å; L482-I504 HydrophobicContact CD1-CG2 4.25Å
483N92.6Very high91.9Very high102 Ų10249.2 Ų49.255%0.54527%0.274SS..  trans-74109.4170.6-174.9-22000109.3I485 A486 T487N483-I485 VanDerWaalsContact C-N 3.31Å; N483-I485 PolarHBondContact O-N 3.26Å; N483-I485 PolarHBondContact OD1-N 2.86Å; N483-A486 HydrophobicContact CB-CB 4.2Å; N483-A486 PolarHBondContact O-N 3.05Å; N483-T487 WeakPolarHBondContact O-CG2 3.48Å; N483-T487 PolarHBondContact O-N 2.66Å; N483-T487 VanDerWaalsContact O-N 3.14Å; N483-T487 PolarHBondContact O-OG1 3.49Å
484P90.8Very high91.8Very high22 Ų2252.4 Ų52.414%0.14329%0.288CS..Hα-helixtrans-63.8-38-170.726.2-34.6000111.9Y474 A477 L482 T487 I488Y474-P484 HydrophobicContact CD1-CB 4.25Å; Y474-P484 HydrophobicContact CD2-CB 3.79Å; Y474-P484 HydrophobicContact CD2-CG 4.45Å; Y474-P484 HydrophobicContact CE1-CB 4.13Å; Y474-P484 HydrophobicContact CE1-CG 4.19Å; Y474-P484 HydrophobicContact CE2-CB 3.63Å; Y474-P484 HydrophobicContact CE2-CG 3.8Å; Y474-P484 HydrophobicContact CG-CB 4.06Å; A477-P484 HydrophobicContact CB-CB 4.13Å; L482-P484 WeakPolarHBondContact O-CD 3.47Å; P484-T487 WeakPolarHBondContact CA-OG1 3.2Å; P484-T487 PolarHBondContact O-N 3.23Å; P484-T487 PolarHBondContact O-OG1 3.14Å; P484-I488 WeakPolarHBondContact O-CD1 3.44Å; P484-I488 VanDerWaalsContact O-CG1 3.27Å; P484-I488 WeakPolarHBondContact O-CG1 3.35Å; P484-I488 PolarHBondContact O-N 2.93Å
485I92.9Very high91.5Very high113 Ų11348.7 Ų48.758%0.57927%0.273SS*.Hα-helixtrans-63.6-49.7-178.3-59.4174.1000110.2N483 T487 I488 T489N483-I485 VanDerWaalsContact C-N 3.31Å; N483-I485 PolarHBondContact O-N 3.26Å; N483-I485 PolarHBondContact OD1-N 2.86Å; I485-T487 VanDerWaalsContact C-N 3.34Å; I485-T487 PolarHBondContact O-N 2.9Å; I485-I488 PolarHBondContact O-N 2.96Å; I485-T489 PolarHBondContact O-N 2.85Å; I485-T489 PolarHBondContact O-OG1 2.87Å; I485-T489 VanDerWaalsContact O-OG1 3.05Å
486A92.8Very high91.2Very high43 Ų4351.9 Ų51.936%0.35530%0.3SS..Hα-helixtrans-60.3-44.6179.300000111.5N483 I488 T489 E490N483-A486 HydrophobicContact CB-CB 4.2Å; N483-A486 PolarHBondContact O-N 3.05Å; A486-I488 PolarHBondContact O-N 3.09Å; A486-T489 PolarHBondContact O-N 2.82Å; A486-E490 WeakPolarHBondContact O-CG 3.38Å; A486-E490 PolarHBondContact O-N 2.93Å
487T91Very high91Very high15 Ų1557.2 Ų57.29%0.09232%0.324CS..Hα-helixtrans-63.7-39.4179.457.90000112.9A477 L482 N483 P484 I485 E490 L491 I511A477-T487 HydrophobicContact CB-CG2 4.29Å; A477-T487 VanDerWaalsContact CB-OG1 3.24Å; A477-T487 WeakPolarHBondContact CB-OG1 3.25Å; L482-T487 HydrophobicContact CB-CG2 3.99Å; L482-T487 HydrophobicContact CD1-CG2 4.09Å; N483-T487 WeakPolarHBondContact O-CG2 3.48Å; N483-T487 PolarHBondContact O-N 2.66Å; N483-T487 VanDerWaalsContact O-N 3.14Å; N483-T487 PolarHBondContact O-OG1 3.49Å; P484-T487 WeakPolarHBondContact CA-OG1 3.2Å; P484-T487 PolarHBondContact O-N 3.23Å; P484-T487 PolarHBondContact O-OG1 3.14Å; I485-T487 VanDerWaalsContact C-N 3.34Å; I485-T487 PolarHBondContact O-N 2.9Å; T487-E490 PolarHBondContact O-N 2.86Å; T487-L491 WeakPolarHBondContact O-CB 3.47Å; T487-L491 VanDerWaalsContact O-CG 3.27Å; T487-L491 WeakPolarHBondContact O-CG 3.39Å; T487-L491 PolarHBondContact O-N 2.8Å; T487-I511 WeakPolarHBondContact O-CD1 3.47Å
488I92.3Very high90.4Very high14 Ų1465.7 Ų65.77%0.07236%0.361CS..Hα-helixtrans-68.9-41.3178-68164.7000110.6M441 Y474 P484 I485 A486 E490 L491 R492M441-I488 HydrophobicContact CE-CG2 4.05Å; Y474-I488 HydrophobicContact CD2-CD1 3.4Å; Y474-I488 HydrophobicContact CE2-CD1 4.44Å; Y474-I488 HydrophobicContact CG-CD1 3.97Å; P484-I488 WeakPolarHBondContact O-CD1 3.44Å; P484-I488 VanDerWaalsContact O-CG1 3.27Å; P484-I488 WeakPolarHBondContact O-CG1 3.35Å; P484-I488 PolarHBondContact O-N 2.93Å; I485-I488 PolarHBondContact O-N 2.96Å; A486-I488 PolarHBondContact O-N 3.09Å; I488-E490 VanDerWaalsContact C-N 3.35Å; I488-E490 PolarHBondContact O-N 3.01Å; I488-L491 PolarHBondContact O-N 3.14Å; I488-R492 HydrophobicContact CG2-CG 4.26Å; I488-R492 WeakPolarHBondContact O-CB 3.31Å; I488-R492 VanDerWaalsContact O-CG 3.3Å; I488-R492 WeakPolarHBondContact O-CG 3.28Å; I488-R492 PolarHBondContact O-N 3Å
489T92.3Very high89.8Confident68 Ų6867.3 Ų67.342%0.41737%0.368SS..Hα-helixtrans-60.4-45.3176.3-57.50000111.4I485 A486 R492 N493I485-T489 PolarHBondContact O-N 2.85Å; I485-T489 PolarHBondContact O-OG1 2.87Å; I485-T489 VanDerWaalsContact O-OG1 3.05Å; A486-T489 PolarHBondContact O-N 2.82Å; T489-R492 PolarHBondContact O-N 2.89Å; T489-N493 PolarHBondContact O-N 3.38Å; T489-N493 VanDerWaalsContact O-N 3.13Å
490E91.3Very high89.3Confident103 Ų10367.6 Ų67.648%0.48137%0.373SS..Hα-helixtrans-64.6-40175.6-71.6-179.1-170.100112.5A486 T487 I488 N493 K494 I511A486-E490 WeakPolarHBondContact O-CG 3.38Å; A486-E490 PolarHBondContact O-N 2.93Å; T487-E490 PolarHBondContact O-N 2.86Å; I488-E490 VanDerWaalsContact C-N 3.35Å; I488-E490 PolarHBondContact O-N 3.01Å; E490-N493 PolarHBondContact O-N 3.38Å; E490-K494 PolarHBondContact O-N 3.38Å; E490-K494 VanDerWaalsContact O-N 3.09Å; E490-I511 HydrophobicContact CB-CD1 3.25Å; E490-I511 HydrophobicContact CG-CD1 4.38Å; E490-I511 WeakPolarHBondContact OE2-CD1 3.17Å
491L91.1Very high89.1Confident0 Ų067.1 Ų67.10%037%0.368CS..Hα-helixtrans-63.2-44.9175.9-79.4170.9000111.7M441 P473 T487 I488 N493 K494 H495 I504 I511M441-L491 HydrophobicContact CE-CB 3.84Å; M441-L491 HydrophobicContact CE-CD1 4.01Å; M441-L491 HydrophobicContact CG-CB 4.26Å; P473-L491 HydrophobicContact CB-CD1 3.91Å; T487-L491 WeakPolarHBondContact O-CB 3.47Å; T487-L491 VanDerWaalsContact O-CG 3.27Å; T487-L491 WeakPolarHBondContact O-CG 3.39Å; T487-L491 PolarHBondContact O-N 2.8Å; I488-L491 PolarHBondContact O-N 3.14Å; L491-N493 VanDerWaalsContact C-N 3.29Å; L491-N493 PolarHBondContact O-N 3.45Å; L491-K494 PolarHBondContact O-N 3.02Å; L491-H495 PolarHBondContact O-N 3.41Å; L491-H495 PolarHBondContact O-ND1 3.34Å; L491-I504 HydrophobicContact CD1-CD1 3.85Å; L491-I504 HydrophobicContact CD1-CG1 3.66Å; L491-I504 HydrophobicContact CG-CG1 4.46Å; L491-I511 HydrophobicContact CB-CD1 4.4Å; L491-I511 HydrophobicContact CD2-CB 4.39Å; L491-I511 HydrophobicContact CD2-CD1 3.97Å; L491-I511 HydrophobicContact CD2-CG1 3.89Å; L491-I511 HydrophobicContact CD2-CG2 3.59Å; L491-I511 HydrophobicContact CG-CD1 3.68Å; L491-I511 HydrophobicContact CG-CG1 4Å
492R90.1Very high89Confident104 Ų10464 Ų6439%0.39234%0.335SS..Hα-helixtrans-58.3-42.9177.3-76.2177.4179.7-175.93.8111M441 E470 I488 T489 H495 A496M441-R492 HydrophobicContact CE-CG 4.45Å; M441-R492 HydrophobicContact SD-CG 3.81Å; E470-R492 VanDerWaalsContact CD-NH2 3.35Å; E470-R492 IonicContact OE1-CZ 3.35Å; E470-R492 IonicContact OE1-NE 2.78Å; E470-R492 PolarHBondContact OE1-NE 3.26Å; E470-R492 IonicContact OE1-NH2 3.36Å; E470-R492 PolarHBondContact OE1-NH2 2.87Å; E470-R492 IonicContact OE2-CZ 3.42Å; E470-R492 IonicContact OE2-NE 3.44Å; E470-R492 PolarHBondContact OE2-NE 3.43Å; E470-R492 IonicContact OE2-NH2 2.63Å; E470-R492 PolarHBondContact OE2-NH2 3.04Å; I488-R492 HydrophobicContact CG2-CG 4.26Å; I488-R492 WeakPolarHBondContact O-CB 3.31Å; I488-R492 VanDerWaalsContact O-CG 3.3Å; I488-R492 WeakPolarHBondContact O-CG 3.28Å; I488-R492 PolarHBondContact O-N 3Å; T489-R492 PolarHBondContact O-N 2.89Å; R492-H495 PolarHBondContact O-N 3.07Å; R492-A496 VanDerWaalsContact O-CB 3.32Å; R492-A496 WeakPolarHBondContact O-CB 3.41Å; R492-A496 PolarHBondContact O-N 2.96Å
493N91.7Very high89Confident97 Ų9762 Ų6252%0.51932%0.324SS..Hα-helixtrans-62.8-47.7177.6-69.4-11.3000111.6T489 E490 L491 H495 A496 E497T489-N493 PolarHBondContact O-N 3.38Å; T489-N493 VanDerWaalsContact O-N 3.13Å; E490-N493 PolarHBondContact O-N 3.38Å; L491-N493 VanDerWaalsContact C-N 3.29Å; L491-N493 PolarHBondContact O-N 3.45Å; N493-H495 PolarHBondContact O-N 2.86Å; N493-A496 WeakPolarHBondContact O-CB 3.42Å; N493-A496 PolarHBondContact O-N 2.8Å; N493-E497 WeakPolarHBondContact O-CG 3.29Å; N493-E497 PolarHBondContact O-N 3Å
494K89.9Confident88.9Confident68 Ų6857.3 Ų57.330%0.29630%0.3SS..Hα-helixtrans-64.9-37.4179-72.2-178.6178.2-175.70113.4E490 L491 E497 H499 A502 I511E490-K494 PolarHBondContact O-N 3.38Å; E490-K494 VanDerWaalsContact O-N 3.09Å; L491-K494 PolarHBondContact O-N 3.02Å; K494-E497 WeakPolarHBondContact O-CB 3.45Å; K494-E497 PolarHBondContact O-N 3.27Å; K494-H499 WeakPolarHBondContact O-CB 3.37Å; K494-H499 PolarHBondContact O-N 3.15Å; K494-H499 VanDerWaalsContact O-N 3.12Å; K494-A502 HydrophobicContact CB-CB 4.01Å; K494-A502 HydrophobicContact CD-CB 4.21Å; K494-I511 HydrophobicContact CD-CB 4.36Å; K494-I511 HydrophobicContact CD-CG2 3.59Å; K494-I511 PolarHBondContact NZ-O 2.81Å
495H89Confident88.8Confident4 Ų456.7 Ų56.72%0.01930%0.295CS..Hα-helixtrans-72.7-32.1175.4-72.578.7000111.9A438 M441 E442 L491 R492 N493 E497 K498 A502A438-H495 PolarHBondContact O-NE2 3.21Å; M441-H495 HydrophobicContact CG-CB 4.22Å; M441-H495 WeakPolarHBondContact CG-ND1 3.48Å; E442-H495 IonicContact OE2-CD2 2.6Å; L491-H495 PolarHBondContact O-N 3.41Å; L491-H495 PolarHBondContact O-ND1 3.34Å; R492-H495 PolarHBondContact O-N 3.07Å; N493-H495 PolarHBondContact O-N 2.86Å; H495-E497 VanDerWaalsContact C-N 3.26Å; H495-E497 PolarHBondContact O-N 3.45Å; H495-K498 WeakPolarHBondContact O-CA 3.4Å; H495-K498 PolarHBondContact O-N 2.84Å; H495-A502 PolarHBondContact CE1-O 2.98Å; H495-A502 PolarHBondContact NE2-O 3.39Å
496A86.8Confident88.4Confident67 Ų6752.3 Ų52.355%0.55427%0.274SS*.Hα-helixtrans-63.3-33.8171.200000112R492 N493 K498R492-A496 VanDerWaalsContact O-CB 3.32Å; R492-A496 WeakPolarHBondContact O-CB 3.41Å; R492-A496 PolarHBondContact O-N 2.96Å; N493-A496 WeakPolarHBondContact O-CB 3.42Å; N493-A496 PolarHBondContact O-N 2.8Å; A496-K498 PolarHBondContact O-N 2.91Å
497E87.8Confident88Confident130 Ų13059.2 Ų59.261%0.60729%0.29SS*.THydrogen-bonded Turntrans-72.34.4170-67.4172176.700113.7N493 K494 H495 H499N493-E497 WeakPolarHBondContact O-CG 3.29Å; N493-E497 PolarHBondContact O-N 3Å; K494-E497 WeakPolarHBondContact O-CB 3.45Å; K494-E497 PolarHBondContact O-N 3.27Å; H495-E497 VanDerWaalsContact C-N 3.26Å; H495-E497 PolarHBondContact O-N 3.45Å; E497-H499 VanDerWaalsContact C-N 3.34Å; E497-H499 IonicContact OE2-CD2 3.9Å
498K80.4Confident87.7Confident178 Ų17864.3 Ų64.377%0.77431%0.311SS*.THydrogen-bonded Turntrans67.624.1-179.6-54.5177.3178.7174.70114.9H495 A496 S500H495-K498 WeakPolarHBondContact O-CA 3.4Å; H495-K498 PolarHBondContact O-N 2.84Å; A496-K498 PolarHBondContact O-N 2.91Å; K498-S500 VanDerWaalsContact C-N 3.34Å; K498-S500 PolarHBondContact O-N 3.47Å; K498-S500 VanDerWaalsContact O-N 3.14Å
499H81.9Confident87.3Confident106 Ų10665.1 Ų65.149%0.49132%0.323SS..  trans-84.376.3168.9-65.8-61.8000111K494 E497 S501 A502K494-H499 WeakPolarHBondContact O-CB 3.37Å; K494-H499 PolarHBondContact O-N 3.15Å; K494-H499 VanDerWaalsContact O-N 3.12Å; E497-H499 VanDerWaalsContact C-N 3.34Å; E497-H499 IonicContact OE2-CD2 3.9Å; H499-S501 PolarHBondContact O-N 2.91Å; H499-A502 HydrophobicContact CB-CB 4.34Å; H499-A502 WeakPolarHBondContact O-CB 3.34Å; H499-A502 PolarHBondContact O-N 3.42Å; H499-A502 VanDerWaalsContact O-N 3.09Å
500S80.4Confident87Confident42 Ų4271 Ų7129%0.29434%0.337SS..THydrogen-bonded Turntrans-62.9-12.2-178.358.50000115K498K498-S500 VanDerWaalsContact C-N 3.34Å; K498-S500 PolarHBondContact O-N 3.47Å; K498-S500 VanDerWaalsContact O-N 3.14Å
501S85.1Confident86.8Confident20 Ų2066.6 Ų66.614%0.1432%0.317CS..THydrogen-bonded Turntrans-97.40178.665.30000113.9H499 G503 N513 M514H499-S501 PolarHBondContact O-N 2.91Å; S501-G503 PolarHBondContact O-N 3.29Å; S501-N513 WeakPolarHBondContact CB-OD1 3.4Å; S501-N513 PolarHBondContact OG-OD1 3.38Å; S501-M514 PolarHBondContact O-N 3.06Å
502A88.6Confident86.7Confident5 Ų568.1 Ų68.14%0.04133%0.326CS..EExtended strand (participates in β ladder)trans-70.6126.217600000109.9A438 K494 H495 H499 I511A438-A502 VanDerWaalsContact CB-O 3.29Å; A438-A502 WeakPolarHBondContact CB-O 3.38Å; K494-A502 HydrophobicContact CB-CB 4.01Å; K494-A502 HydrophobicContact CD-CB 4.21Å; H495-A502 PolarHBondContact CE1-O 2.98Å; H495-A502 PolarHBondContact NE2-O 3.39Å; H499-A502 HydrophobicContact CB-CB 4.34Å; H499-A502 WeakPolarHBondContact O-CB 3.34Å; H499-A502 PolarHBondContact O-N 3.42Å; H499-A502 VanDerWaalsContact O-N 3.09Å; A502-I511 HydrophobicContact CB-CG2 4.13Å
503G90.2Very high86.6Confident0 Ų065.4 Ų65.40%032%0.32CS..EExtended strand (participates in β ladder)trans-144.9177.8177.700000111.9S501 N505 I511 T512 M514S501-G503 PolarHBondContact O-N 3.29Å; G503-N505 PolarHBondContact O-N 2.83Å; G503-I511 VanDerWaalsContact O-CA 3.29Å; G503-I511 WeakPolarHBondContact O-CA 3.15Å; G503-I511 WeakPolarHBondContact O-CG2 3.1Å; G503-T512 PolarHBondContact N-O 3.34Å; G503-T512 PolarHBondContact O-N 3.38Å; G503-T512 VanDerWaalsContact O-N 3.16Å; G503-M514 WeakPolarHBondContact O-CE 3.14Å
504I90.5Very high86.3Confident5 Ų560.9 Ų60.93%0.02630%0.296CS..EExtended strand (participates in β ladder)trans-83.1113.1179-55.9175.7000109.3G436 P473 L476 A477 L482 L491 V506G436-I504 PolarHBondContact O-N 3.02Å; P473-I504 HydrophobicContact CB-CD1 3.76Å; P473-I504 WeakPolarHBondContact O-CD1 3.39Å; L476-I504 HydrophobicContact CB-CD1 4.25Å; A477-I504 HydrophobicContact CB-CD1 4.21Å; L482-I504 HydrophobicContact CD1-CG2 4.25Å; L491-I504 HydrophobicContact CD1-CD1 3.85Å; L491-I504 HydrophobicContact CD1-CG1 3.66Å; L491-I504 HydrophobicContact CG-CG1 4.46Å; I504-V506 HydrophobicContact CG2-CG2 4.26Å; I504-V506 PolarHBondContact O-N 3.29Å
505N89Confident86.1Confident8 Ų859.8 Ų59.84%0.04329%0.29CS..EExtended strand (participates in β ladder)trans-86.8100.1168.7-166.9-29.8000109.8G503 R507 K508 G509 R510 T512 M514 E517G503-N505 PolarHBondContact O-N 2.83Å; N505-R507 PolarHBondContact O-N 2.96Å; N505-R507 WeakPolarHBondContact OD1-CB 3.42Å; N505-R507 PolarHBondContact OD1-N 2.63Å; N505-K508 HydrophobicContact CB-CB 4.32Å; N505-K508 PolarHBondContact O-N 3.29Å; N505-K508 PolarHBondContact OD1-N 3.35Å; N505-G509 WeakPolarHBondContact O-CA 3.42Å; N505-G509 PolarHBondContact O-N 3.27Å; N505-R510 VanDerWaalsContact CB-O 3.3Å; N505-R510 WeakPolarHBondContact CB-O 3.28Å; N505-R510 PolarHBondContact N-O 3.11Å; N505-R510 PolarHBondContact O-N 3.2Å; N505-T512 HydrophobicContact CB-CG2 4.4Å; N505-T512 WeakPolarHBondContact CB-OG1 3.38Å; N505-T512 PolarHBondContact ND2-OG1 2.9Å; N505-M514 HydrophobicContact CB-CE 3.77Å; N505-E517 VanDerWaalsContact ND2-CG 3.3Å; N505-E517 WeakPolarHBondContact ND2-CG 3.29Å; N505-E517 PolarHBondContact ND2-OE2 3.27Å
506V85.3Confident85.9Confident22 Ų2266.1 Ų66.113%0.13332%0.32CS..THydrogen-bonded Turntrans-64.5-22.2-179.5-176.70000112.7P45 R46 A480 I504P45-V506 HydrophobicContact CG-CB 3.85Å; P45-V506 HydrophobicContact CG-CG1 4.03Å; P45-V506 HydrophobicContact CG-CG2 3.85Å; R46-V506 HydrophobicContact CB-CG1 4.1Å; R46-V506 HydrophobicContact CG-CG1 3.26Å; A480-V506 HydrophobicContact CB-CG1 3.7Å; A480-V506 HydrophobicContact CB-CG2 4.48Å; I504-V506 HydrophobicContact CG2-CG2 4.26Å; I504-V506 PolarHBondContact O-N 3.29Å
507R83.4Confident85.7Confident188 Ų18865.7 Ų65.771%0.70931%0.306SS*.THydrogen-bonded Turntrans-78.2-40.4177.8-63.5-178.5175.9-179.5-1.5112.4N163 N505N163-R507 PolarHBondContact OD1-NH2 3.1Å; N505-R507 PolarHBondContact O-N 2.96Å; N505-R507 WeakPolarHBondContact OD1-CB 3.42Å; N505-R507 PolarHBondContact OD1-N 2.63Å
508K84.8Confident85.5Confident122 Ų12262.6 Ų62.653%0.5329%0.294SS..THydrogen-bonded Turntrans-89.9-15.3-179.8-67.4-178.1179.9174.60113.1N505 R510 T512 E517N505-K508 HydrophobicContact CB-CB 4.32Å; N505-K508 PolarHBondContact O-N 3.29Å; N505-K508 PolarHBondContact OD1-N 3.35Å; K508-R510 PolarHBondContact O-N 2.99Å; K508-T512 HydrophobicContact CD-CG2 4.39Å; K508-E517 WeakPolarHBondContact CE-OE1 3.46Å; K508-E517 IonicContact NZ-OE1 2.64Å; K508-E517 PolarHBondContact NZ-OE1 3.31Å; K508-E517 IonicContact NZ-OE2 3.69Å
509G84Confident85.8Confident31 Ų3156.2 Ų56.232%0.3227%0.269SS..THydrogen-bonded Turntrans66.424.3-174.700000113.4N505N505-G509 WeakPolarHBondContact O-CA 3.42Å; N505-G509 PolarHBondContact O-N 3.27Å
510R86.1Confident86.1Confident190 Ų19051.6 Ų51.672%0.71725%0.249SC*.EExtended strand (participates in β ladder)trans-138.9159.6-175-64.5-174.9-174.5-163.70.5110.6N505 K508 T512N505-R510 VanDerWaalsContact CB-O 3.3Å; N505-R510 WeakPolarHBondContact CB-O 3.28Å; N505-R510 PolarHBondContact N-O 3.11Å; N505-R510 PolarHBondContact O-N 3.2Å; K508-R510 PolarHBondContact O-N 2.99Å; R510-T512 PolarHBondContact O-N 3.1Å
511I87.9Confident86.4Confident12 Ų1251.5 Ų51.56%0.06224%0.243CC..EExtended strand (participates in β ladder)trans-82.1117.2174-60.2159.6000109.1T487 E490 L491 K494 A502 G503T487-I511 WeakPolarHBondContact O-CD1 3.47Å; E490-I511 HydrophobicContact CB-CD1 3.25Å; E490-I511 HydrophobicContact CG-CD1 4.38Å; E490-I511 WeakPolarHBondContact OE2-CD1 3.17Å; L491-I511 HydrophobicContact CB-CD1 4.4Å; L491-I511 HydrophobicContact CD2-CB 4.39Å; L491-I511 HydrophobicContact CD2-CD1 3.97Å; L491-I511 HydrophobicContact CD2-CG1 3.89Å; L491-I511 HydrophobicContact CD2-CG2 3.59Å; L491-I511 HydrophobicContact CG-CD1 3.68Å; L491-I511 HydrophobicContact CG-CG1 4Å; K494-I511 HydrophobicContact CD-CB 4.36Å; K494-I511 HydrophobicContact CD-CG2 3.59Å; K494-I511 PolarHBondContact NZ-O 2.81Å; A502-I511 HydrophobicContact CB-CG2 4.13Å; G503-I511 VanDerWaalsContact O-CA 3.29Å; G503-I511 WeakPolarHBondContact O-CA 3.15Å; G503-I511 WeakPolarHBondContact O-CG2 3.1Å
512T87.1Confident86.7Confident31 Ų3150.5 Ų50.519%0.1924%0.237CC..EExtended strand (participates in β ladder)trans-127.9170.4179.162.80000110.6G503 N505 K508 R510 M514 E517G503-T512 PolarHBondContact N-O 3.34Å; G503-T512 PolarHBondContact O-N 3.38Å; G503-T512 VanDerWaalsContact O-N 3.16Å; N505-T512 HydrophobicContact CB-CG2 4.4Å; N505-T512 WeakPolarHBondContact CB-OG1 3.38Å; N505-T512 PolarHBondContact ND2-OG1 2.9Å; K508-T512 HydrophobicContact CD-CG2 4.39Å; R510-T512 PolarHBondContact O-N 3.1Å; T512-M514 WeakPolarHBondContact O-CE 3.37Å; T512-M514 PolarHBondContact O-N 2.83Å; T512-M514 WeakPolarHBondContact OG1-CE 3.39Å; T512-E517 WeakPolarHBondContact OG1-CG 3.38Å
513N88.7Confident86.8Confident47 Ų4750.3 Ų50.325%0.25124%0.235SC..EExtended strand (participates in β ladder)trans-71.8116.4171.3-171.7-3.9000109.4S501 Y515 E516 E517S501-N513 WeakPolarHBondContact CB-OD1 3.4Å; S501-N513 PolarHBondContact OG-OD1 3.38Å; N513-Y515 VanDerWaalsContact C-N 3.28Å; N513-Y515 PolarHBondContact O-N 3.43Å; N513-Y515 PolarHBondContact OD1-N 3.33Å; N513-E516 HydrophobicContact CB-CB 4.44Å; N513-E516 HydrophobicContact CB-CG 4.19Å; N513-E516 PolarHBondContact ND2-OE1 3.06Å; N513-E516 PolarHBondContact O-N 2.98Å; N513-E517 PolarHBondContact O-N 3.22Å
514M86.1Confident86.8Confident2 Ų251 Ų511%0.0124%0.239CC..THydrogen-bonded Turntrans-70.7-24.2-174.2-70.2-67.2112.800113.1C434 G435 S501 G503 N505 T512 E517 N518 V519C434-M514 HydrophobicContact CB-CB 3.77Å; G435-M514 WeakPolarHBondContact O-CG 3.21Å; S501-M514 PolarHBondContact O-N 3.06Å; G503-M514 WeakPolarHBondContact O-CE 3.14Å; N505-M514 HydrophobicContact CB-CE 3.77Å; T512-M514 WeakPolarHBondContact O-CE 3.37Å; T512-M514 PolarHBondContact O-N 2.83Å; T512-M514 WeakPolarHBondContact OG1-CE 3.39Å; M514-E517 PolarHBondContact O-N 3.14Å; M514-N518 PolarHBondContact O-N 2.99Å; M514-V519 PolarHBondContact O-N 3.33Å; M514-V519 HydrophobicContact SD-CB 4.08Å; M514-V519 HydrophobicContact SD-CG1 4.37Å; M514-V519 HydrophobicContact SD-CG2 4.45Å
515Y84.3Confident86.9Confident45 Ų4551.1 Ų51.118%0.17624%0.239CC..THydrogen-bonded Turntrans-64.6-40.6173.4-82.7-60.9000112K144 C434 N513 E517 N518 I520K144-Y515 HydrophobicContact CD-CE1 3.86Å; K144-Y515 HydrophobicContact CD-CE2 4.41Å; C434-Y515 WeakPolarHBondContact SG-CD2 3.45Å; C434-Y515 WeakPolarHBondContact SG-CE2 3.48Å; C434-Y515 VanDerWaalsContact SG-CZ 3.52Å; N513-Y515 VanDerWaalsContact C-N 3.28Å; N513-Y515 PolarHBondContact O-N 3.43Å; N513-Y515 PolarHBondContact OD1-N 3.33Å; Y515-E517 VanDerWaalsContact C-N 3.32Å; Y515-N518 PolarHBondContact O-N 3.34Å; Y515-I520 HydrophobicContact CD1-CD1 4.2Å; Y515-I520 HydrophobicContact CD1-CG1 4.45Å
516E85.1Confident87Confident138 Ų13851 Ų5165%0.64524%0.239SC*.THydrogen-bonded Turntrans-68.5-35.2179.9-70.2166.7-151.200111.6N513 N518N513-E516 HydrophobicContact CB-CB 4.44Å; N513-E516 HydrophobicContact CB-CG 4.19Å; N513-E516 PolarHBondContact ND2-OE1 3.06Å; N513-E516 PolarHBondContact O-N 2.98Å; E516-N518 PolarHBondContact O-N 3.04Å; E516-N518 PolarHBondContact O-ND2 3.45Å
517E84.1Confident87.3Confident58 Ų5850.8 Ų50.827%0.27124%0.237SC..THydrogen-bonded Turntrans-79-0.9176.6-60.4-69.2148.700113N505 K508 T512 N513 M514 Y515 V519N505-E517 VanDerWaalsContact ND2-CG 3.3Å; N505-E517 WeakPolarHBondContact ND2-CG 3.29Å; N505-E517 PolarHBondContact ND2-OE2 3.27Å; K508-E517 WeakPolarHBondContact CE-OE1 3.46Å; K508-E517 IonicContact NZ-OE1 2.64Å; K508-E517 PolarHBondContact NZ-OE1 3.31Å; K508-E517 IonicContact NZ-OE2 3.69Å; T512-E517 WeakPolarHBondContact OG1-CG 3.38Å; N513-E517 PolarHBondContact O-N 3.22Å; M514-E517 PolarHBondContact O-N 3.14Å; Y515-E517 VanDerWaalsContact C-N 3.32Å; E517-V519 HydrophobicContact CB-CG2 4.16Å; E517-V519 PolarHBondContact O-N 3.42Å
518N82.8Confident87.8Confident64 Ų6442.6 Ų42.634%0.34221%0.208SC..THydrogen-bonded Turntrans57.128.1-176.2-55.2-83.2000114.1K156 T160 M514 Y515 E516 I520K156-N518 HydrophobicContact CD-CB 4.11Å; K156-N518 WeakPolarHBondContact CD-OD1 3.34Å; K156-N518 WeakPolarHBondContact CE-OD1 3.27Å; K156-N518 HydrophobicContact CG-CB 4.41Å; K156-N518 PolarHBondContact NZ-OD1 3.12Å; T160-N518 PolarHBondContact OG1-O 3.41Å; M514-N518 PolarHBondContact O-N 2.99Å; Y515-N518 PolarHBondContact O-N 3.34Å; E516-N518 PolarHBondContact O-N 3.04Å; E516-N518 PolarHBondContact O-ND2 3.45Å; N518-I520 PolarHBondContact O-N 3.13Å
519V85.9Confident88.2Confident44 Ų4436.9 Ų36.927%0.26718%0.184SC..  trans-91.390.7174.8-177.10000108.3T160 G435 M514 E517T160-V519 HydrophobicContact CG2-CG1 3.97Å; G435-V519 PolarHBondContact N-O 3.03Å; M514-V519 PolarHBondContact O-N 3.33Å; M514-V519 HydrophobicContact SD-CB 4.08Å; M514-V519 HydrophobicContact SD-CG1 4.37Å; M514-V519 HydrophobicContact SD-CG2 4.45Å; E517-V519 HydrophobicContact CB-CG2 4.16Å; E517-V519 PolarHBondContact O-N 3.42Å
520I88.2Confident88.7Confident10 Ų1035.6 Ų35.65%0.05117%0.17CC..EExtended strand (participates in β ladder)trans-127.6140.8-172.4-40.1176000109.6L432 I433 Y515 N518L432-I520 HydrophobicContact CB-CG2 3.59Å; L432-I520 HydrophobicContact CD1-CG2 3.8Å; L432-I520 HydrophobicContact CD2-CG2 3.98Å; L432-I520 HydrophobicContact CG-CG2 3.92Å; I433-I520 WeakPolarHBondContact O-CG2 3.46Å; Y515-I520 HydrophobicContact CD1-CD1 4.2Å; Y515-I520 HydrophobicContact CD1-CG1 4.45Å; N518-I520 PolarHBondContact O-N 3.13Å
521Q88.1Confident89Confident39 Ų3929 Ų2918%0.18215%0.153CC..EExtended strand (participates in β ladder)trans-131.9154.2179.767.5-171.510.200111.4I433 T526I433-Q521 HydrophobicContact CD1-CG 4.08Å; I433-Q521 HydrophobicContact CG1-CG 3.67Å; I433-Q521 WeakPolarHBondContact CG1-O 3.44Å; I433-Q521 PolarHBondContact N-O 3.07Å; I433-Q521 PolarHBondContact O-N 3.4Å; Q521-T526 PolarHBondContact NE2-OG1 2.8Å; Q521-T526 VanDerWaalsContact NE2-OG1 3.14Å
522P90.1Very high89.4Confident0 Ų030.2 Ų30.20%016%0.159CC..EExtended strand (participates in β ladder)trans-62.8136.6172.9-17.729.5000111.2I157 V422 C425 L426 L524 V525I157-P522 HydrophobicContact CG2-CG 4.39Å; V422-P522 HydrophobicContact CG1-CG 3.62Å; C425-P522 HydrophobicContact CB-CB 3.86Å; C425-P522 HydrophobicContact CB-CG 4.09Å; L426-P522 HydrophobicContact CD2-CB 3.74Å; L426-P522 HydrophobicContact CD2-CG 3.77Å; L426-P522 HydrophobicContact CG-CB 4.43Å; L426-P522 HydrophobicContact CG-CG 4.14Å; P522-L524 PolarHBondContact O-N 2.83Å; P522-L524 VanDerWaalsContact O-N 3.16Å; P522-V525 HydrophobicContact CB-CG2 4.22Å; P522-V525 HydrophobicContact CG-CG2 4.24Å; P522-V525 PolarHBondContact O-N 2.85Å
523A90.9Very high89.7Confident1 Ų128.8 Ų28.81%0.00815%0.15CC..Hα-helixtrans-59.2-30.2176.700000112.6F431 I433 V525 T526 L527F431-A523 HydrophobicContact CB-CB 3.82Å; F431-A523 WeakPolarHBondContact O-CB 3.49Å; F431-A523 PolarHBondContact O-N 3.2Å; I433-A523 HydrophobicContact CG1-CB 4.5Å; I433-A523 HydrophobicContact CG2-CB 4.03Å; A523-V525 PolarHBondContact O-N 2.78Å; A523-T526 PolarHBondContact O-N 2.63Å; A523-L527 HydrophobicContact CB-CD1 4.2Å; A523-L527 WeakPolarHBondContact O-CB 3.31Å; A523-L527 WeakPolarHBondContact O-CD1 3.44Å; A523-L527 WeakPolarHBondContact O-CG 3.36Å; A523-L527 PolarHBondContact O-N 3.09Å
524L91Very high90Very high15 Ų1526.6 Ų26.68%0.07914%0.139CC..Hα-helixtrans-57.9-35.6-179.9-173.264.1000112.4C425 R428 K429 P522 L527 S528C425-L524 HydrophobicContact CB-CB 4.17Å; C425-L524 HydrophobicContact CB-CD2 3.92Å; R428-L524 HydrophobicContact CB-CD2 4.15Å; K429-L524 HydrophobicContact CD-CD1 3.9Å; K429-L524 HydrophobicContact CG-CD1 4.4Å; P522-L524 PolarHBondContact O-N 2.83Å; P522-L524 VanDerWaalsContact O-N 3.16Å; L524-L527 PolarHBondContact O-N 3.35Å; L524-S528 WeakPolarHBondContact O-CB 3.1Å; L524-S528 PolarHBondContact O-N 3.22Å; L524-S528 PolarHBondContact O-OG 3.23Å; L524-S528 VanDerWaalsContact O-OG 3.09Å
525V91.8Very high90.3Very high6 Ų631 Ų314%0.03616%0.16CC..Hα-helixtrans-61.6-51.8-178.3178.90000110.8Q89 A93 D95 P522 A523 S528 A529Q89-V525 PolarHBondContact NE2-O 3.32Å; A93-V525 HydrophobicContact CB-CG2 4.29Å; D95-V525 HydrophobicContact CB-CG1 4.39Å; D95-V525 HydrophobicContact CB-CG2 4.38Å; P522-V525 HydrophobicContact CB-CG2 4.22Å; P522-V525 HydrophobicContact CG-CG2 4.24Å; P522-V525 PolarHBondContact O-N 2.85Å; A523-V525 PolarHBondContact O-N 2.78Å; V525-S528 PolarHBondContact O-OG 2.95Å; V525-S528 VanDerWaalsContact O-OG 3.09Å; V525-A529 VanDerWaalsContact O-CB 3.26Å; V525-A529 WeakPolarHBondContact O-CB 3.24Å; V525-A529 PolarHBondContact O-N 3.44Å
526T91.6Very high90.7Very high6 Ų629.6 Ų29.64%0.03716%0.157CC..Hα-helixtrans-70.7-36.1178.7-51.60000111.6L139 I433 P439 Q521 A523 A529 V530L139-T526 HydrophobicContact CD1-CG2 4.01Å; L139-T526 HydrophobicContact CD2-CG2 4.3Å; I433-T526 VanDerWaalsContact CD1-OG1 3.3Å; I433-T526 WeakPolarHBondContact CD1-OG1 3.38Å; P439-T526 HydrophobicContact CB-CG2 4.31Å; P439-T526 HydrophobicContact CG-CG2 4.39Å; Q521-T526 PolarHBondContact NE2-OG1 2.8Å; Q521-T526 VanDerWaalsContact NE2-OG1 3.14Å; A523-T526 PolarHBondContact O-N 2.63Å; T526-A529 PolarHBondContact O-N 3.11Å; T526-V530 HydrophobicContact CG2-CG2 4.39Å; T526-V530 WeakPolarHBondContact O-CG2 3.49Å; T526-V530 PolarHBondContact O-N 3.21Å
527L92.1Very high91.1Very high17 Ų1723 Ų239%0.08913%0.126CC..Hα-helixtrans-61.8-49177.1-73.1168.3000112.1P136 L139 K429 A523 L524 A529 S531P136-L527 VanDerWaalsContact CA-CD2 3.45Å; P136-L527 HydrophobicContact CB-CD2 3.81Å; L139-L527 HydrophobicContact CB-CD2 4.09Å; L139-L527 HydrophobicContact CD1-CD2 3.43Å; L139-L527 VanDerWaalsContact CD1-CD2 3.43Å; L139-L527 HydrophobicContact CD1-CG 3.8Å; L139-L527 HydrophobicContact CG-CD2 4.35Å; K429-L527 HydrophobicContact CD-CD1 4.18Å; A523-L527 HydrophobicContact CB-CD1 4.2Å; A523-L527 WeakPolarHBondContact O-CB 3.31Å; A523-L527 WeakPolarHBondContact O-CD1 3.44Å; A523-L527 WeakPolarHBondContact O-CG 3.36Å; A523-L527 PolarHBondContact O-N 3.09Å; L524-L527 PolarHBondContact O-N 3.35Å; L527-A529 VanDerWaalsContact C-N 3.34Å; L527-S531 WeakPolarHBondContact O-CB 3.34Å; L527-S531 PolarHBondContact O-N 3.31Å; L527-S531 VanDerWaalsContact O-N 3.12Å
528S93Very high91.6Very high16 Ų1622.3 Ų22.311%0.11212%0.122CC..Hα-helixtrans-66-40.6178.366.10000110.6Q89 L524 V525 V530 S531 L532Q89-S528 PolarHBondContact NE2-OG 3.41Å; Q89-S528 PolarHBondContact OE1-OG 3.15Å; L524-S528 WeakPolarHBondContact O-CB 3.1Å; L524-S528 PolarHBondContact O-N 3.22Å; L524-S528 PolarHBondContact O-OG 3.23Å; L524-S528 VanDerWaalsContact O-OG 3.09Å; V525-S528 PolarHBondContact O-OG 2.95Å; V525-S528 VanDerWaalsContact O-OG 3.09Å; S528-V530 PolarHBondContact O-N 3.18Å; S528-S531 PolarHBondContact O-N 3Å; S528-L532 VanDerWaalsContact O-CB 3.29Å; S528-L532 WeakPolarHBondContact O-CB 3.44Å; S528-L532 VanDerWaalsContact O-CG 3.27Å; S528-L532 WeakPolarHBondContact O-CG 3.34Å; S528-L532 PolarHBondContact O-N 2.96Å
529A93.6Very high92.1Very high2 Ų222 Ų222%0.01713%0.125CC..Hα-helixtrans-57.1-50.2177.500000112.5V100 L103 V525 T526 L527 A533V100-A529 HydrophobicContact CG2-CB 3.62Å; L103-A529 HydrophobicContact CD1-CB 4.36Å; V525-A529 VanDerWaalsContact O-CB 3.26Å; V525-A529 WeakPolarHBondContact O-CB 3.24Å; V525-A529 PolarHBondContact O-N 3.44Å; T526-A529 PolarHBondContact O-N 3.11Å; L527-A529 VanDerWaalsContact C-N 3.34Å; A529-A533 WeakPolarHBondContact O-CB 3.46Å; A529-A533 PolarHBondContact O-N 3.4Å
530V93.5Very high92.3Very high5 Ų520.1 Ų20.13%0.0311%0.114CC..Hα-helixtrans-67-40.9-179.3175.80000111.3A135 L443 F465 L469 T526 S528 S534A135-V530 HydrophobicContact CB-CG1 3.93Å; L443-V530 HydrophobicContact CD1-CG2 4.38Å; F465-V530 HydrophobicContact CE1-CG1 4.29Å; F465-V530 HydrophobicContact CZ-CG1 3.91Å; L469-V530 HydrophobicContact CD2-CG2 4.42Å; T526-V530 HydrophobicContact CG2-CG2 4.39Å; T526-V530 WeakPolarHBondContact O-CG2 3.49Å; T526-V530 PolarHBondContact O-N 3.21Å; S528-V530 PolarHBondContact O-N 3.18Å; V530-S534 WeakPolarHBondContact O-CB 3.2Å; V530-S534 PolarHBondContact O-N 2.84Å; V530-S534 VanDerWaalsContact O-N 3.12Å; V530-S534 PolarHBondContact O-OG 3.39Å
531S93.8Very high92.4Very high51 Ų5119.8 Ų19.836%0.35711%0.112SC..Hα-helixtrans-64.3-55178.6-164.80000111.5L527 S528 A533 S534 E535L527-S531 WeakPolarHBondContact O-CB 3.34Å; L527-S531 PolarHBondContact O-N 3.31Å; L527-S531 VanDerWaalsContact O-N 3.12Å; S528-S531 PolarHBondContact O-N 3Å; S531-A533 PolarHBondContact O-N 3.07Å; S531-S534 PolarHBondContact O-N 3.28Å; S531-S534 PolarHBondContact O-OG 2.83Å; S531-E535 WeakPolarHBondContact O-CG 3.45Å; S531-E535 PolarHBondContact O-N 3.1Å
532L95Very high92.5Very high38 Ų3823.4 Ų23.420%0.19913%0.127CC..Hα-helixtrans-62.6-41.7-178-68.5175.9000111.9A88 Q89 V100 S528 S534 E535 A536A88-L532 HydrophobicContact CB-CD1 4.25Å; Q89-L532 HydrophobicContact CB-CD1 4.29Å; V100-L532 HydrophobicContact CG1-CB 4.14Å; S528-L532 VanDerWaalsContact O-CB 3.29Å; S528-L532 WeakPolarHBondContact O-CB 3.44Å; S528-L532 VanDerWaalsContact O-CG 3.27Å; S528-L532 WeakPolarHBondContact O-CG 3.34Å; S528-L532 PolarHBondContact O-N 2.96Å; L532-S534 VanDerWaalsContact C-N 3.35Å; L532-S534 PolarHBondContact O-N 3.47Å; L532-E535 PolarHBondContact O-N 3Å; L532-A536 WeakPolarHBondContact O-CB 3.48Å; L532-A536 PolarHBondContact O-N 2.72Å
533A94.8Very high92.3Very high0 Ų025.6 Ų25.60%014%0.138CC..Hα-helixtrans-60.9-44.2175.800000111.5V100 L103 A104 L107 A529 S531 E535 A536 V537V100-A533 HydrophobicContact CG1-CB 4.13Å; L103-A533 HydrophobicContact CB-CB 4.12Å; A104-A533 HydrophobicContact CB-CB 4.16Å; L107-A533 HydrophobicContact CD1-CB 4.13Å; A529-A533 WeakPolarHBondContact O-CB 3.46Å; A529-A533 PolarHBondContact O-N 3.4Å; S531-A533 PolarHBondContact O-N 3.07Å; A533-E535 PolarHBondContact O-N 3.18Å; A533-A536 PolarHBondContact O-N 3.45Å; A533-V537 WeakPolarHBondContact O-CB 3.38Å; A533-V537 WeakPolarHBondContact O-CG2 3.46Å; A533-V537 PolarHBondContact O-N 3.22Å
534S93.5Very high91.9Very high1 Ų128.7 Ų28.71%0.00715%0.154CC..Hα-helixtrans-65.1-39.417973.50000113S132 V530 S531 L532 K538S132-S534 VanDerWaalsContact CB-OG 3.29Å; S132-S534 WeakPolarHBondContact CB-OG 3.18Å; S132-S534 PolarHBondContact OG-OG 3.1Å; V530-S534 WeakPolarHBondContact O-CB 3.2Å; V530-S534 PolarHBondContact O-N 2.84Å; V530-S534 VanDerWaalsContact O-N 3.12Å; V530-S534 PolarHBondContact O-OG 3.39Å; S531-S534 PolarHBondContact O-N 3.28Å; S531-S534 PolarHBondContact O-OG 2.83Å; L532-S534 VanDerWaalsContact C-N 3.35Å; L532-S534 PolarHBondContact O-N 3.47Å; S534-K538 WeakPolarHBondContact O-CB 3.23Å; S534-K538 PolarHBondContact O-N 2.9Å
535E93.5Very high91.4Very high96 Ų9632.8 Ų32.845%0.44918%0.176SC..Hα-helixtrans-70.2-39.5177.9-71.9-176.7172.700112.5L129 S531 L532 A533 K538 S539L129-E535 HydrophobicContact CD1-CG 4.4Å; S531-E535 WeakPolarHBondContact O-CG 3.45Å; S531-E535 PolarHBondContact O-N 3.1Å; L532-E535 PolarHBondContact O-N 3Å; A533-E535 PolarHBondContact O-N 3.18Å; E535-K538 PolarHBondContact O-N 3.38Å; E535-S539 PolarHBondContact O-N 3.49Å; E535-S539 PolarHBondContact O-OG 3.39Å
536A93.4Very high90.5Very high14 Ų1436.2 Ų36.212%0.11619%0.194CC..Hα-helixtrans-64.7-44.9174.900000111.5L85 L532 A533 K538 S539 I540L85-A536 HydrophobicContact CD1-CB 3.35Å; L532-A536 WeakPolarHBondContact O-CB 3.48Å; L532-A536 PolarHBondContact O-N 2.72Å; A533-A536 PolarHBondContact O-N 3.45Å; A536-K538 VanDerWaalsContact C-N 3.33Å; A536-K538 PolarHBondContact O-N 3.14Å; A536-S539 WeakPolarHBondContact O-CB 3.35Å; A536-S539 PolarHBondContact O-N 3.4Å; A536-S539 VanDerWaalsContact O-N 3.09Å; A536-I540 WeakPolarHBondContact O-CG1 3.49Å; A536-I540 PolarHBondContact O-N 3.2Å
537V93.5Very high89.4Confident0 Ų045.2 Ų45.20%025%0.248CC..Hα-helixtrans-60.2-44.1176.3172.90000110.8A104 L107 L108 F128 A533 S539 I540 L541A104-V537 HydrophobicContact CB-CG2 4.46Å; L107-V537 HydrophobicContact CB-CG1 4.37Å; L107-V537 HydrophobicContact CB-CG2 3.57Å; L107-V537 HydrophobicContact CD1-CG2 4.15Å; L108-V537 HydrophobicContact CD2-CB 4.47Å; L108-V537 HydrophobicContact CD2-CG1 4.04Å; L108-V537 HydrophobicContact CD2-CG2 4.36Å; L108-V537 HydrophobicContact CG-CG2 4.15Å; F128-V537 HydrophobicContact CD2-CG1 3.88Å; F128-V537 HydrophobicContact CE2-CG1 4.17Å; A533-V537 WeakPolarHBondContact O-CB 3.38Å; A533-V537 WeakPolarHBondContact O-CG2 3.46Å; A533-V537 PolarHBondContact O-N 3.22Å; V537-S539 VanDerWaalsContact C-N 3.26Å; V537-S539 PolarHBondContact O-N 3.33Å; V537-I540 PolarHBondContact O-N 3.06Å; V537-L541 HydrophobicContact CG1-CD1 3.8Å; V537-L541 HydrophobicContact CG1-CG 4.21Å; V537-L541 WeakPolarHBondContact O-CB 3.35Å; V537-L541 VanDerWaalsContact O-CG 3.28Å; V537-L541 WeakPolarHBondContact O-CG 3.47Å; V537-L541 PolarHBondContact O-N 3.29Å
538K93.3Very high89.3Confident44 Ų4446.7 Ų46.719%0.19126%0.256CS..Hα-helixtrans-56.7-41.6174.1168.4167.3-176.1166.60112A125 D126 L129 S534 E535 A536 K542A125-K538 HydrophobicContact CB-CB 4.17Å; A125-K538 HydrophobicContact CB-CG 4.04Å; D126-K538 IonicContact OD1-NZ 2.76Å; D126-K538 PolarHBondContact OD1-NZ 3.38Å; L129-K538 HydrophobicContact CD2-CD 4.1Å; L129-K538 VanDerWaalsContact CD2-NZ 3.34Å; S534-K538 WeakPolarHBondContact O-CB 3.23Å; S534-K538 PolarHBondContact O-N 2.9Å; E535-K538 PolarHBondContact O-N 3.38Å; A536-K538 VanDerWaalsContact C-N 3.33Å; A536-K538 PolarHBondContact O-N 3.14Å; K538-K542 WeakPolarHBondContact O-CG 3.41Å; K538-K542 PolarHBondContact O-N 2.91Å
539S92.8Very high89.1Confident58 Ų5848.3 Ų48.341%0.40626%0.264SS..Hα-helixtrans-69.2-44.6179.8-57.60000111.4E535 A536 V537 L541 K542E535-S539 PolarHBondContact O-N 3.49Å; E535-S539 PolarHBondContact O-OG 3.39Å; A536-S539 WeakPolarHBondContact O-CB 3.35Å; A536-S539 PolarHBondContact O-N 3.4Å; A536-S539 VanDerWaalsContact O-N 3.09Å; V537-S539 VanDerWaalsContact C-N 3.26Å; V537-S539 PolarHBondContact O-N 3.33Å; S539-L541 PolarHBondContact O-N 2.93Å; S539-K542 PolarHBondContact O-N 3.17Å
540I92.1Very high88.8Confident4 Ų450.8 Ų50.82%0.02128%0.278CS..Hα-helixtrans-64.2-40.9178.7-66.2167.4000111.6N28 M81 L108 A536 V537 K542 I543N28-I540 HydrophobicContact CB-CG2 4.16Å; M81-I540 HydrophobicContact CE-CG1 3.81Å; M81-I540 HydrophobicContact SD-CG1 3.78Å; L108-I540 HydrophobicContact CD1-CD1 3.86Å; L108-I540 HydrophobicContact CD1-CG2 4.4Å; L108-I540 HydrophobicContact CD2-CB 4.04Å; L108-I540 HydrophobicContact CD2-CD1 4.41Å; L108-I540 HydrophobicContact CD2-CG2 3.7Å; A536-I540 WeakPolarHBondContact O-CG1 3.49Å; A536-I540 PolarHBondContact O-N 3.2Å; V537-I540 PolarHBondContact O-N 3.06Å; I540-K542 VanDerWaalsContact C-N 3.27Å; I540-K542 PolarHBondContact O-N 3.49Å; I540-I543 PolarHBondContact O-N 3.23Å
541L90.3Very high88.6Confident3 Ų353.5 Ų53.52%0.01629%0.292CS..Hα-helixtrans-67.4-25.9179.1-71.8175.4000113.6R25 A111 L115 I124 A125 V537 S539 I543R25-L541 PolarHBondContact NE-O 3.37Å; A111-L541 HydrophobicContact CB-CD1 3.93Å; A111-L541 HydrophobicContact CB-CD2 3.83Å; A111-L541 HydrophobicContact CB-CG 4.42Å; L115-L541 HydrophobicContact CD1-CD2 4.17Å; I124-L541 HydrophobicContact CB-CD1 4.5Å; I124-L541 HydrophobicContact CG2-CD1 4.01Å; A125-L541 HydrophobicContact CB-CD1 4.32Å; V537-L541 HydrophobicContact CG1-CD1 3.8Å; V537-L541 HydrophobicContact CG1-CG 4.21Å; V537-L541 WeakPolarHBondContact O-CB 3.35Å; V537-L541 VanDerWaalsContact O-CG 3.28Å; V537-L541 WeakPolarHBondContact O-CG 3.47Å; V537-L541 PolarHBondContact O-N 3.29Å; S539-L541 PolarHBondContact O-N 2.93Å; L541-I543 VanDerWaalsContact C-N 3.35Å
542K88.4Confident88.2Confident115 Ų11553.7 Ų53.750%0.529%0.288SS..Hα-helixtrans-77.6-19.2177.7-78.2-178.4176.8-165.20113.4K538 S539 I540 D544K538-K542 WeakPolarHBondContact O-CG 3.41Å; K538-K542 PolarHBondContact O-N 2.91Å; S539-K542 PolarHBondContact O-N 3.17Å; I540-K542 VanDerWaalsContact C-N 3.27Å; I540-K542 PolarHBondContact O-N 3.49Å; K542-D544 PolarHBondContact O-N 3.03Å; K542-D544 VanDerWaalsContact O-N 3.16Å
543I87.6Confident87.8Confident46 Ų4654.7 Ų54.724%0.23629%0.294CS..  trans-67.4112.5175.6-58.1170.8000108.1M81 I540 L541 I546M81-I543 HydrophobicContact SD-CD1 3.82Å; I540-I543 PolarHBondContact O-N 3.23Å; L541-I543 VanDerWaalsContact C-N 3.35Å; I543-I546 HydrophobicContact CG2-CG1 4.17Å
544D81Confident87.3Confident65 Ų6558.6 Ų58.635%0.34832%0.315SS..  trans-109.9-13.2-179.469.8-30.3000113.7K21 K542K21-D544 HydrophobicContact CD-CB 4.29Å; K21-D544 HydrophobicContact CG-CB 4.16Å; K21-D544 WeakPolarHBondContact CG-O 3.49Å; K21-D544 IonicContact NZ-OD2 2.85Å; K21-D544 PolarHBondContact NZ-OD2 3.31Å; K542-D544 PolarHBondContact O-N 3.03Å; K542-D544 VanDerWaalsContact O-N 3.16Å
545D79.9Confident86.8Confident101 Ų10163.1 Ų63.154%0.5434%0.339SS..  trans-148.9156.2171.6-150.9-4.6000111.5
546I73.2Confident86.3Confident79 Ų7960.3 Ų60.341%0.40533%0.33SS..  trans-128.7109.8172.1-59171.3000106.1V24 I543V24-I546 HydrophobicContact CG1-CD1 4.02Å; V24-I546 HydrophobicContact CG1-CG1 3.97Å; I543-I546 HydrophobicContact CG2-CG1 4.17Å
547V69.7Low85.6Confident195 Ų19564.5 Ų64.5100%1.18235%0.349SS*.  trans-94.20-178.6-177.80000111.1

Retrieved 547 of 547 residues in 198.8 ms (Link to these results)

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