A0A087WWV6_HUMAN Loading...

tRNA-yW synthesizing protein 1 homolog B

AlphaFold DB , UniProt , Accession A0A087WWV6, Species HUMAN (Homo sapiens, Human), Gene TYW1B, Length 471 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
1M35.4Very low46.5Very low242 Ų242134.8 Ų134.8100%1.19274%0.743SS**  0111.20-77.8177.1163.100106
2D38.4Very low47.5Very low156 Ų156130.3 Ų130.383%0.83473%0.728SS**  trans37154.5135.5-11414.3000121.5
3P48.3Very low48.5Very low97 Ų97126.2 Ų126.263%0.6371%0.711SS**  -135.3177.9-68.735.9-17.4000112.7
4S40.8Very low49.2Very low93 Ų93125.7 Ų125.765%0.6570%0.704SS**  trans27.7121.1149.260.80000121.1D6S4-D6 PolarHBondContact O-N 3.06Å
5A46.1Very low50Low96 Ų96123.6 Ų123.679%0.79369%0.69SS**  trans-60.5114.415400000110.8T7A5-T7 PolarHBondContact O-N 3.15Å; A5-T7 VanDerWaalsContact O-N 3.15Å
6D42.8Very low50.7Low135 Ų135119.8 Ų119.872%0.72267%0.674SS**  trans-72.297.4164.8-75.8-34.3000109.2S4 W8S4-D6 PolarHBondContact O-N 3.06Å; D6-W8 PolarHBondContact O-N 2.67Å
7T49.7Very low51.2Low128 Ų128118.9 Ų118.979%0.78567%0.667SS**  trans-67109.9157.844.80000107.9A5 D9A5-T7 PolarHBondContact O-N 3.15Å; A5-T7 VanDerWaalsContact O-N 3.15Å; T7-D9 PolarHBondContact O-N 3.2Å
8W49.4Very low51.8Low236 Ų236122.5 Ų122.589%0.89467%0.668SS**  trans-58.8108.2174.4-69.171.8000109.8D6 L10D6-W8 PolarHBondContact O-N 2.67Å; W8-L10 VanDerWaalsContact C-N 3.35Å; W8-L10 PolarHBondContact O-N 3.16Å
9D52.1Low52.6Low112 Ų112122.5 Ų122.560%0.59967%0.666SS**  trans-74.486.4176.6-171.811.9000110.2T7 S11T7-D9 PolarHBondContact O-N 3.2Å; D9-S11 PolarHBondContact O-N 3.03Å; D9-S11 VanDerWaalsContact O-N 3.1Å; D9-S11 WeakPolarHBondContact OD1-CB 3.37Å; D9-S11 PolarHBondContact OD1-N 3.47Å; D9-S11 PolarHBondContact OD1-OG 2.98Å; D9-S11 PolarHBondContact OD2-OG 3.38Å
10L53.3Low53.5Low137 Ų137119.7 Ų119.772%0.71765%0.65SS**THydrogen-bonded Turntrans-64.2-3173.6-92.6146.6000113.4W8W8-L10 VanDerWaalsContact C-N 3.35Å; W8-L10 PolarHBondContact O-N 3.16Å
11S55.6Low54.6Low51 Ų51118.9 Ų118.936%0.35764%0.638SS.*Hα-helixtrans-78.6-26.3-179.277.60000113.6D9 I15D9-S11 PolarHBondContact O-N 3.03Å; D9-S11 VanDerWaalsContact O-N 3.1Å; D9-S11 WeakPolarHBondContact OD1-CB 3.37Å; D9-S11 PolarHBondContact OD1-N 3.47Å; D9-S11 PolarHBondContact OD1-OG 2.98Å; D9-S11 PolarHBondContact OD2-OG 3.38Å; S11-I15 WeakPolarHBondContact O-CB 3.41Å; S11-I15 WeakPolarHBondContact O-CD1 3.28Å; S11-I15 VanDerWaalsContact O-CG1 3.23Å; S11-I15 WeakPolarHBondContact O-CG1 3.43Å; S11-I15 PolarHBondContact O-N 3.41Å; S11-I15 VanDerWaalsContact O-N 3.12Å
12S58.5Low56.6Low80 Ų80113.8 Ų113.856%0.55961%0.609SS**Hα-helixtrans-69.3-44.5-171.7-172.10000115S16S12-S16 PolarHBondContact O-N 3.44Å
13P59.9Low58.6Low78 Ų78114 Ų11451%0.50660%0.599SS.*Hα-helixtrans-70.3-34.8178.3-1630.3000112.7S16 L17P13-S16 PolarHBondContact O-N 2.66Å; P13-L17 PolarHBondContact O-N 2.91Å
14L58.8Low60.2Low119 Ų119112.5 Ų112.562%0.62359%0.586SS**Hα-helixtrans-71.3-37.6-178.5-71.1171.5000111.7L17 W18L14-L17 PolarHBondContact O-N 3.36Å; L14-W18 WeakPolarHBondContact O-CB 3.32Å; L14-W18 PolarHBondContact O-N 2.89Å
15I60.8Low62.2Low94 Ų94115.8 Ų115.848%0.48259%0.585SS.*Hα-helixtrans-68.8-39.3174.3-69.1165.6000110.9S11 W18 I19S11-I15 WeakPolarHBondContact O-CB 3.41Å; S11-I15 WeakPolarHBondContact O-CD1 3.28Å; S11-I15 VanDerWaalsContact O-CG1 3.23Å; S11-I15 WeakPolarHBondContact O-CG1 3.43Å; S11-I15 PolarHBondContact O-N 3.41Å; S11-I15 VanDerWaalsContact O-N 3.12Å; I15-W18 PolarHBondContact O-N 3.39Å; I15-I19 HydrophobicContact CG2-CD1 3.74Å; I15-I19 HydrophobicContact CG2-CG1 4.45Å; I15-I19 WeakPolarHBondContact O-CG1 3.44Å; I15-I19 PolarHBondContact O-N 2.79Å
16S60.9Low64Low62 Ų62115.3 Ų115.343%0.43457%0.569SS.*Hα-helixtrans-62.3-41.5174.2-177.30000112.6S12 P13 W18 N20S12-S16 PolarHBondContact O-N 3.44Å; P13-S16 PolarHBondContact O-N 2.66Å; S16-W18 VanDerWaalsContact C-N 3.33Å; S16-N20 WeakPolarHBondContact O-CB 3.36Å; S16-N20 PolarHBondContact O-N 3.3Å; S16-N20 PolarHBondContact O-ND2 3.46Å
17L60.5Low66.1Low106 Ų106110.5 Ų110.556%0.55555%0.551SS**Hα-helixtrans-64.5-36.5172.7-110.2139.3000112.3P13 L14 R21 I24P13-L17 PolarHBondContact O-N 2.91Å; L14-L17 PolarHBondContact O-N 3.36Å; L17-R21 PolarHBondContact O-N 2.94Å; L17-I24 HydrophobicContact CD2-CD1 3.62Å; L17-I24 HydrophobicContact CG-CD1 4.37Å
18W61.9Low67.9Low183 Ų183111 Ų11169%0.69354%0.543SS*.Hα-helixtrans-72.1-36.3179.3-136.676.4000113L14 I15 S16 R21L14-W18 WeakPolarHBondContact O-CB 3.32Å; L14-W18 PolarHBondContact O-N 2.89Å; I15-W18 PolarHBondContact O-N 3.39Å; S16-W18 VanDerWaalsContact C-N 3.33Å; W18-R21 WeakPolarHBondContact O-CD 3.43Å; W18-R21 VanDerWaalsContact O-CG 3.32Å; W18-R21 WeakPolarHBondContact O-CG 3.45Å
19I67.1Low69.6Low122 Ų122102.1 Ų102.163%0.62652%0.52SS*.Hα-helixtrans-71.9-38.9175.9-71.9167.1000110.7I15I15-I19 HydrophobicContact CG2-CD1 3.74Å; I15-I19 HydrophobicContact CG2-CG1 4.45Å; I15-I19 WeakPolarHBondContact O-CG1 3.44Å; I15-I19 PolarHBondContact O-N 2.79Å
20N70.2Confident71.2Confident66 Ų66100.4 Ų100.435%0.35351%0.513SS..SBendtrans-90.96.3-179.3-68.6-57.7000114.4S16 F22 Y23 I24S16-N20 WeakPolarHBondContact O-CB 3.36Å; S16-N20 PolarHBondContact O-N 3.3Å; S16-N20 PolarHBondContact O-ND2 3.46Å; N20-F22 PolarHBondContact O-N 2.73Å; N20-F22 VanDerWaalsContact O-N 3.08Å; N20-Y23 PolarHBondContact O-N 3.4Å; N20-I24 PolarHBondContact O-N 3.32Å; N20-I24 VanDerWaalsContact O-N 3.12Å
21R76.9Confident72.7Confident103 Ų10397.5 Ų97.539%0.38950%0.504SS..Hα-helixtrans-54.9-33.3-178.374.6-179.6176.1-128.32113L17 W18 I24 Y25L17-R21 PolarHBondContact O-N 2.94Å; W18-R21 WeakPolarHBondContact O-CD 3.43Å; W18-R21 VanDerWaalsContact O-CG 3.32Å; W18-R21 WeakPolarHBondContact O-CG 3.45Å; R21-I24 PolarHBondContact O-N 2.61Å; R21-Y25 HydrophobicContact CB-CD2 4.26Å; R21-Y25 HydrophobicContact CB-CE2 3.89Å; R21-Y25 HydrophobicContact CG-CD2 4.38Å; R21-Y25 HydrophobicContact CG-CE2 4.08Å; R21-Y25 WeakPolarHBondContact O-CD2 3.19Å; R21-Y25 PolarHBondContact O-N 3.22Å
22F76.6Confident74.2Confident135 Ų13599 Ų9959%0.59251%0.507SS*.Hα-helixtrans-61.8-45.3177.9-179.3-98.1000111.2N20 I24 Y25 L26N20-F22 PolarHBondContact O-N 2.73Å; N20-F22 VanDerWaalsContact O-N 3.08Å; F22-I24 VanDerWaalsContact C-N 3.34Å; F22-I24 PolarHBondContact O-N 3.14Å; F22-Y25 PolarHBondContact O-N 3.37Å; F22-L26 HydrophobicContact CE1-CD2 4.26Å; F22-L26 VanDerWaalsContact O-CB 3.24Å; F22-L26 WeakPolarHBondContact O-CB 3.21Å; F22-L26 PolarHBondContact O-N 3.15Å
23Y81.2Confident75.4Confident160 Ų16098.4 Ų98.463%0.62750%0.503SS*.Hα-helixtrans-68.4-33.9177.1-64.2-73.8000112.4N20 G27N20-Y23 PolarHBondContact O-N 3.4Å; Y23-G27 PolarHBondContact O-N 2.86Å
24I80.3Confident76.6Confident67 Ų6799.8 Ų99.834%0.34451%0.506SS..Hα-helixtrans-66.5-47.2175-62.6171.1000110.4L17 N20 R21 F22 G27 F28L17-I24 HydrophobicContact CD2-CD1 3.62Å; L17-I24 HydrophobicContact CG-CD1 4.37Å; N20-I24 PolarHBondContact O-N 3.32Å; N20-I24 VanDerWaalsContact O-N 3.12Å; R21-I24 PolarHBondContact O-N 2.61Å; F22-I24 VanDerWaalsContact C-N 3.34Å; F22-I24 PolarHBondContact O-N 3.14Å; I24-G27 PolarHBondContact O-N 3Å; I24-F28 HydrophobicContact CG2-CD2 4.17Å; I24-F28 HydrophobicContact CG2-CE2 4.38Å; I24-F28 WeakPolarHBondContact O-CD2 3.28Å; I24-F28 PolarHBondContact O-N 3.45Å
25Y82.9Confident78Confident161 Ų161102 Ų10263%0.63151%0.506SS*.Hα-helixtrans-65.6-39.2176.6-67.3-51.1000112.4R21 F22 F28 A29R21-Y25 HydrophobicContact CB-CD2 4.26Å; R21-Y25 HydrophobicContact CB-CE2 3.89Å; R21-Y25 HydrophobicContact CG-CD2 4.38Å; R21-Y25 HydrophobicContact CG-CE2 4.08Å; R21-Y25 WeakPolarHBondContact O-CD2 3.19Å; R21-Y25 PolarHBondContact O-N 3.22Å; F22-Y25 PolarHBondContact O-N 3.37Å; Y25-F28 PolarHBondContact O-N 3.41Å; Y25-A29 WeakPolarHBondContact O-CB 3.43Å; Y25-A29 PolarHBondContact O-N 3.26Å
26L83.9Confident79Confident86 Ų86102 Ų10245%0.4551%0.506SS..Hα-helixtrans-64-42.4175.8-172.864.5000111.1F22 A29 V30F22-L26 HydrophobicContact CE1-CD2 4.26Å; F22-L26 VanDerWaalsContact O-CB 3.24Å; F22-L26 WeakPolarHBondContact O-CB 3.21Å; F22-L26 PolarHBondContact O-N 3.15Å; L26-A29 PolarHBondContact O-N 2.99Å; L26-V30 WeakPolarHBondContact O-CB 3.27Å; L26-V30 VanDerWaalsContact O-CG2 3.26Å; L26-V30 WeakPolarHBondContact O-CG2 3.49Å; L26-V30 PolarHBondContact O-N 3.39Å
27G87.6Confident79.9Confident35 Ų35102.6 Ų102.636%0.36151%0.509SS..Hα-helixtrans-58.5-49.4173.800000112Y23 I24 A29 V30 S31Y23-G27 PolarHBondContact O-N 2.86Å; I24-G27 PolarHBondContact O-N 3Å; G27-A29 PolarHBondContact O-N 2.95Å; G27-V30 PolarHBondContact O-N 3.47Å; G27-S31 WeakPolarHBondContact O-CB 3.29Å; G27-S31 PolarHBondContact O-N 3.43Å; G27-S31 PolarHBondContact O-OG 2.95Å; G27-S31 VanDerWaalsContact O-OG 3.04Å
28F88.1Confident80.7Confident138 Ų138101.2 Ų101.261%0.60551%0.505SS*.Hα-helixtrans-61.5-43.3176.5-95.8-83.1000113I24 Y25 S31 I32I24-F28 HydrophobicContact CG2-CD2 4.17Å; I24-F28 HydrophobicContact CG2-CE2 4.38Å; I24-F28 WeakPolarHBondContact O-CD2 3.28Å; I24-F28 PolarHBondContact O-N 3.45Å; Y25-F28 PolarHBondContact O-N 3.41Å; F28-S31 PolarHBondContact O-N 2.99Å; F28-I32 WeakPolarHBondContact O-CB 3.3Å; F28-I32 VanDerWaalsContact O-CG1 3.28Å; F28-I32 WeakPolarHBondContact O-CG1 3.34Å; F28-I32 PolarHBondContact O-N 3.34Å
29A84.3Confident81.2Confident50 Ų5096.8 Ų96.841%0.41349%0.492SS..Hα-helixtrans-63.6-41.9178.900000111.8Y25 L26 G27 S33Y25-A29 WeakPolarHBondContact O-CB 3.43Å; Y25-A29 PolarHBondContact O-N 3.26Å; L26-A29 PolarHBondContact O-N 2.99Å; G27-A29 PolarHBondContact O-N 2.95Å; A29-S33 VanDerWaalsContact O-CB 3.31Å; A29-S33 WeakPolarHBondContact O-CB 3.01Å; A29-S33 PolarHBondContact O-N 3.44Å; A29-S33 PolarHBondContact O-OG 3.4Å
30V85.9Confident81.4Confident76 Ų7695.1 Ų95.146%0.46148%0.484SS..Hα-helixtrans-66-44176.11700000110.8L26 G27 S33 L34L26-V30 WeakPolarHBondContact O-CB 3.27Å; L26-V30 VanDerWaalsContact O-CG2 3.26Å; L26-V30 WeakPolarHBondContact O-CG2 3.49Å; L26-V30 PolarHBondContact O-N 3.39Å; G27-V30 PolarHBondContact O-N 3.47Å; V30-S33 PolarHBondContact O-N 3.32Å; V30-L34 HydrophobicContact CG1-CD1 3.76Å; V30-L34 WeakPolarHBondContact O-CB 3.2Å; V30-L34 PolarHBondContact O-N 3.31Å
31S84.3Confident81.4Confident76 Ų7695.7 Ų95.753%0.53149%0.49SS..Hα-helixtrans-63.3-42.3177.4-62.60000112.9G27 F28 W35G27-S31 WeakPolarHBondContact O-CB 3.29Å; G27-S31 PolarHBondContact O-N 3.43Å; G27-S31 PolarHBondContact O-OG 2.95Å; G27-S31 VanDerWaalsContact O-OG 3.04Å; F28-S31 PolarHBondContact O-N 2.99Å; S31-W35 WeakPolarHBondContact O-CB 3.49Å; S31-W35 PolarHBondContact O-N 2.86Å
32I87.6Confident81.1Confident82 Ų8295.2 Ų95.242%0.42149%0.494SS..Hα-helixtrans-66.9-42176.7-68.8167.4000110.5F28 W35 I36F28-I32 WeakPolarHBondContact O-CB 3.3Å; F28-I32 VanDerWaalsContact O-CG1 3.28Å; F28-I32 WeakPolarHBondContact O-CG1 3.34Å; F28-I32 PolarHBondContact O-N 3.34Å; I32-W35 PolarHBondContact O-N 3.31Å; I32-I36 HydrophobicContact CG2-CD1 3.79Å; I32-I36 HydrophobicContact CG2-CG1 4.41Å; I32-I36 VanDerWaalsContact O-CG1 3.32Å; I32-I36 WeakPolarHBondContact O-CG1 3.35Å; I32-I36 PolarHBondContact O-N 2.81Å
33S82.9Confident80.5Confident68 Ų6895.6 Ų95.648%0.47650%0.497SS..Hα-helixtrans-63.2-45.3178.2-57.30000111.4A29 V30 W35 I36 C37A29-S33 VanDerWaalsContact O-CB 3.31Å; A29-S33 WeakPolarHBondContact O-CB 3.01Å; A29-S33 PolarHBondContact O-N 3.44Å; A29-S33 PolarHBondContact O-OG 3.4Å; V30-S33 PolarHBondContact O-N 3.32Å; S33-W35 VanDerWaalsContact C-N 3.32Å; S33-W35 PolarHBondContact O-N 3.06Å; S33-I36 PolarHBondContact O-N 3.04Å; S33-C37 WeakPolarHBondContact O-CB 3.38Å; S33-C37 PolarHBondContact O-N 2.83Å; S33-C37 PolarHBondContact O-SG 3.05Å
34L86.4Confident79.3Confident107 Ų10794.3 Ų94.356%0.5650%0.499SS*.Hα-helixtrans-60.6-41.2173.8-92.2151.1000111.9V30 C37 V38V30-L34 HydrophobicContact CG1-CD1 3.76Å; V30-L34 WeakPolarHBondContact O-CB 3.2Å; V30-L34 PolarHBondContact O-N 3.31Å; L34-C37 PolarHBondContact O-N 3.34Å; L34-V38 WeakPolarHBondContact O-CB 3.19Å; L34-V38 VanDerWaalsContact O-CG2 3.27Å; L34-V38 WeakPolarHBondContact O-CG2 3.41Å; L34-V38 PolarHBondContact O-N 2.97Å
35W87.9Confident78.3Confident166 Ų16697.4 Ų97.463%0.62951%0.512SS*.Hα-helixtrans-65.2-42.4177.9-176.326.1000112.3S31 I32 S33 V38 Q39S31-W35 WeakPolarHBondContact O-CB 3.49Å; S31-W35 PolarHBondContact O-N 2.86Å; I32-W35 PolarHBondContact O-N 3.31Å; S33-W35 VanDerWaalsContact C-N 3.32Å; S33-W35 PolarHBondContact O-N 3.06Å; W35-V38 PolarHBondContact O-N 3.35Å; W35-Q39 WeakPolarHBondContact O-CG 3.46Å; W35-Q39 PolarHBondContact O-N 3.47Å
36I82.6Confident77.3Confident92 Ų9291.3 Ų91.347%0.47250%0.497SS..Hα-helixtrans-63.2-44.7174.5-67.5167000110.5I32 S33 V38 Q39 I40I32-I36 HydrophobicContact CG2-CD1 3.79Å; I32-I36 HydrophobicContact CG2-CG1 4.41Å; I32-I36 VanDerWaalsContact O-CG1 3.32Å; I32-I36 WeakPolarHBondContact O-CG1 3.35Å; I32-I36 PolarHBondContact O-N 2.81Å; S33-I36 PolarHBondContact O-N 3.04Å; I36-V38 VanDerWaalsContact C-N 3.33Å; I36-V38 PolarHBondContact O-N 3.35Å; I36-Q39 PolarHBondContact O-N 2.84Å; I36-I40 HydrophobicContact CG2-CD1 3.8Å; I36-I40 HydrophobicContact CG2-CG1 4.41Å; I36-I40 WeakPolarHBondContact O-CG1 3.45Å; I36-I40 PolarHBondContact O-N 3.43Å
37C78.1Confident76.4Confident75 Ų7593.7 Ų93.751%0.50750%0.504SS..Hα-helixtrans-60-42.8176.1-70.80000112S33 L34 I40 V41S33-C37 WeakPolarHBondContact O-CB 3.38Å; S33-C37 PolarHBondContact O-N 2.83Å; S33-C37 PolarHBondContact O-SG 3.05Å; L34-C37 PolarHBondContact O-N 3.34Å; C37-I40 PolarHBondContact O-N 3.23Å; C37-V41 VanDerWaalsContact O-CG2 3.28Å; C37-V41 WeakPolarHBondContact O-CG2 3.3Å; C37-V41 PolarHBondContact O-N 2.79Å
38V78.4Confident75.1Confident77 Ų7794.1 Ų94.147%0.46751%0.505SS..Hα-helixtrans-64.8-41.3176.71700000111.1L34 W35 I36 V41 I42L34-V38 WeakPolarHBondContact O-CB 3.19Å; L34-V38 VanDerWaalsContact O-CG2 3.27Å; L34-V38 WeakPolarHBondContact O-CG2 3.41Å; L34-V38 PolarHBondContact O-N 2.97Å; W35-V38 PolarHBondContact O-N 3.35Å; I36-V38 VanDerWaalsContact C-N 3.33Å; I36-V38 PolarHBondContact O-N 3.35Å; V38-V41 PolarHBondContact O-N 3.05Å; V38-I42 HydrophobicContact CG1-CD1 3.67Å; V38-I42 HydrophobicContact CG1-CG1 4.37Å; V38-I42 VanDerWaalsContact O-CG1 3.24Å; V38-I42 WeakPolarHBondContact O-CG1 3.42Å; V38-I42 PolarHBondContact O-N 3.43Å
39Q72.8Confident74.1Confident90 Ų9091 Ų9142%0.42150%0.497SS..Hα-helixtrans-63.3-43.5175.9-77.2-686.500112.6W35 I36 V41 I42 E43W35-Q39 WeakPolarHBondContact O-CG 3.46Å; W35-Q39 PolarHBondContact O-N 3.47Å; I36-Q39 PolarHBondContact O-N 2.84Å; Q39-V41 VanDerWaalsContact C-N 3.33Å; Q39-V41 PolarHBondContact O-N 3.37Å; Q39-I42 PolarHBondContact O-N 3.29Å; Q39-E43 PolarHBondContact O-N 3.32Å
40I70.9Confident73.4Confident87 Ų8793.1 Ų93.145%0.44651%0.505SS..Hα-helixtrans-61.1-43.5175.9-68.4168000110.5I36 C37 I42 E43 M44I36-I40 HydrophobicContact CG2-CD1 3.8Å; I36-I40 HydrophobicContact CG2-CG1 4.41Å; I36-I40 WeakPolarHBondContact O-CG1 3.45Å; I36-I40 PolarHBondContact O-N 3.43Å; C37-I40 PolarHBondContact O-N 3.23Å; I40-I42 PolarHBondContact O-N 2.96Å; I40-E43 PolarHBondContact O-N 2.9Å; I40-M44 HydrophobicContact CG2-CG 4.34Å; I40-M44 HydrophobicContact CG2-SD 4.08Å; I40-M44 WeakPolarHBondContact O-CB 3.2Å; I40-M44 VanDerWaalsContact O-CG 3.23Å; I40-M44 WeakPolarHBondContact O-CG 3.39Å; I40-M44 PolarHBondContact O-N 3.39Å
41V70.4Confident72.4Confident79 Ų7993.9 Ų93.948%0.47951%0.506SS..Hα-helixtrans-65.1-40178.4171.80000111.7C37 V38 Q39 M44 Q45C37-V41 VanDerWaalsContact O-CG2 3.28Å; C37-V41 WeakPolarHBondContact O-CG2 3.3Å; C37-V41 PolarHBondContact O-N 2.79Å; V38-V41 PolarHBondContact O-N 3.05Å; Q39-V41 VanDerWaalsContact C-N 3.33Å; Q39-V41 PolarHBondContact O-N 3.37Å; V41-M44 PolarHBondContact O-N 3.34Å; V41-Q45 WeakPolarHBondContact O-CG 3.45Å; V41-Q45 PolarHBondContact O-N 3.29Å
42I69.8Low71.5Confident93 Ų9391 Ų9148%0.47749%0.486SS..Hα-helixtrans-65.5-44.4176-68.7167.3000110.7V38 Q39 I40 M44 Q45 G46V38-I42 HydrophobicContact CG1-CD1 3.67Å; V38-I42 HydrophobicContact CG1-CG1 4.37Å; V38-I42 VanDerWaalsContact O-CG1 3.24Å; V38-I42 WeakPolarHBondContact O-CG1 3.42Å; V38-I42 PolarHBondContact O-N 3.43Å; Q39-I42 PolarHBondContact O-N 3.29Å; I40-I42 PolarHBondContact O-N 2.96Å; I42-M44 PolarHBondContact O-N 2.97Å; I42-Q45 PolarHBondContact O-N 3.37Å; I42-G46 PolarHBondContact O-N 3.43Å
43E64.5Low70.7Confident143 Ų14394.1 Ų94.167%0.66850%0.499SS*.Hα-helixtrans-63.2-39.5175.4-81.7-165.7156.400112.2Q39 I40 Q45 G46 F47Q39-E43 PolarHBondContact O-N 3.32Å; I40-E43 PolarHBondContact O-N 2.9Å; E43-Q45 PolarHBondContact O-N 3.17Å; E43-G46 PolarHBondContact O-N 3.39Å; E43-F47 WeakPolarHBondContact O-CB 3.42Å; E43-F47 PolarHBondContact O-N 3.21Å
44M56.3Low70Confident133 Ų13393.1 Ų93.166%0.65550%0.495SS*.Hα-helixtrans-65.7-37.3177.1-73.9-174.179.100112.6I40 V41 I42 A48I40-M44 HydrophobicContact CG2-CG 4.34Å; I40-M44 HydrophobicContact CG2-SD 4.08Å; I40-M44 WeakPolarHBondContact O-CB 3.2Å; I40-M44 VanDerWaalsContact O-CG 3.23Å; I40-M44 WeakPolarHBondContact O-CG 3.39Å; I40-M44 PolarHBondContact O-N 3.39Å; V41-M44 PolarHBondContact O-N 3.34Å; I42-M44 PolarHBondContact O-N 2.97Å; M44-A48 PolarHBondContact O-N 2.86Å
45Q59Low69Low132 Ų13290 Ų9062%0.61748%0.48SS*.Hα-helixtrans-70.7-37.5173.9-75-178.1-19.400112.3V41 I42 E43 T49V41-Q45 WeakPolarHBondContact O-CG 3.45Å; V41-Q45 PolarHBondContact O-N 3.29Å; I42-Q45 PolarHBondContact O-N 3.37Å; E43-Q45 PolarHBondContact O-N 3.17Å; Q45-T49 PolarHBondContact O-N 3.32Å; Q45-T49 PolarHBondContact O-OG1 2.96Å
46G62.5Low68.2Low32 Ų3286 Ų8633%0.3348%0.475SS..Hα-helixtrans-65.5-38.6174.100000112.7I42 E43 T49 V50I42-G46 PolarHBondContact O-N 3.43Å; E43-G46 PolarHBondContact O-N 3.39Å; G46-T49 WeakPolarHBondContact CA-OG1 3.27Å; G46-T49 PolarHBondContact O-N 3.24Å; G46-T49 PolarHBondContact O-OG1 3.49Å; G46-V50 VanDerWaalsContact O-CG2 3.28Å; G46-V50 WeakPolarHBondContact O-CG2 3.49Å; G46-V50 PolarHBondContact O-N 3.25Å
47F63.7Low67.6Low136 Ų13686.2 Ų86.260%0.59648%0.484SS*.Hα-helixtrans-65-41.5177.3-173.9-98.4000112.3E43 T49 V50 L51E43-F47 WeakPolarHBondContact O-CB 3.42Å; E43-F47 PolarHBondContact O-N 3.21Å; F47-T49 VanDerWaalsContact C-N 3.31Å; F47-T49 PolarHBondContact O-N 3.09Å; F47-V50 PolarHBondContact O-N 3.5Å; F47-L51 HydrophobicContact CE1-CD2 4.14Å; F47-L51 WeakPolarHBondContact O-CB 3.41Å; F47-L51 PolarHBondContact O-N 3.5Å
48A61.2Low67.3Low45 Ų4588.4 Ų88.437%0.37249%0.49SS..Hα-helixtrans-63.5-36.5178.300000112.6M44 A52M44-A48 PolarHBondContact O-N 2.86Å; A48-A52 VanDerWaalsContact O-CB 3.27Å; A48-A52 WeakPolarHBondContact O-CB 3.24Å; A48-A52 PolarHBondContact O-N 3.05Å
49T65.8Low66.6Low73 Ų7392.5 Ų92.545%0.44851%0.51SS..Hα-helixtrans-74.3-42.617734.20000112.2Q45 G46 F47 L51 A52 E53 I64Q45-T49 PolarHBondContact O-N 3.32Å; Q45-T49 PolarHBondContact O-OG1 2.96Å; G46-T49 WeakPolarHBondContact CA-OG1 3.27Å; G46-T49 PolarHBondContact O-N 3.24Å; G46-T49 PolarHBondContact O-OG1 3.49Å; F47-T49 VanDerWaalsContact C-N 3.31Å; F47-T49 PolarHBondContact O-N 3.09Å; T49-L51 VanDerWaalsContact C-N 3.34Å; T49-L51 PolarHBondContact O-N 3.36Å; T49-A52 PolarHBondContact O-N 3.49Å; T49-E53 PolarHBondContact O-N 2.88Å; T49-I64 HydrophobicContact CG2-CD1 4.36Å
50V70.7Confident65.6Low93 Ų9393 Ų9356%0.56451%0.514SS*.Hα-helixtrans-63.1-40174.2172.20000111.6G46 F47 A54G46-V50 VanDerWaalsContact O-CG2 3.28Å; G46-V50 WeakPolarHBondContact O-CG2 3.49Å; G46-V50 PolarHBondContact O-N 3.25Å; F47-V50 PolarHBondContact O-N 3.5Å; V50-A54 WeakPolarHBondContact O-CB 3.39Å; V50-A54 PolarHBondContact O-N 3.43Å
51L64.3Low64.7Low92 Ų9295.1 Ų95.148%0.48253%0.534SS..Hα-helixtrans-67.7-40176-168.869.9000111.3F47 T49 A54 V55F47-L51 HydrophobicContact CE1-CD2 4.14Å; F47-L51 WeakPolarHBondContact O-CB 3.41Å; F47-L51 PolarHBondContact O-N 3.5Å; T49-L51 VanDerWaalsContact C-N 3.34Å; T49-L51 PolarHBondContact O-N 3.36Å; L51-A54 PolarHBondContact O-N 3.38Å; L51-V55 HydrophobicContact CG-CG2 4.47Å; L51-V55 WeakPolarHBondContact O-CB 3.38Å; L51-V55 WeakPolarHBondContact O-CG2 3.29Å; L51-V55 PolarHBondContact O-N 3.29Å
52A66.1Low64.1Low15 Ų1594.7 Ų94.712%0.12453%0.531CS..Hα-helixtrans-64.6-40.917600000112.4A48 T49 V55 T56 V62 I64A48-A52 VanDerWaalsContact O-CB 3.27Å; A48-A52 WeakPolarHBondContact O-CB 3.24Å; A48-A52 PolarHBondContact O-N 3.05Å; T49-A52 PolarHBondContact O-N 3.49Å; A52-V55 PolarHBondContact O-N 2.95Å; A52-T56 WeakPolarHBondContact O-CB 3.42Å; A52-T56 PolarHBondContact O-N 3.12Å; A52-T56 PolarHBondContact O-OG1 3.14Å; A52-V62 HydrophobicContact CB-CG1 4.12Å; A52-I64 HydrophobicContact CB-CD1 3.81Å; A52-I64 HydrophobicContact CB-CG1 4.18Å
53E70.5Confident63.4Low148 Ų14894.1 Ų94.169%0.69254%0.541SS*.Hα-helixtrans-64.7-43.7173.7-75.6-176.3169.700111.8T49 V55 T56 S57T49-E53 PolarHBondContact O-N 2.88Å; E53-V55 VanDerWaalsContact C-N 3.34Å; E53-V55 PolarHBondContact O-N 3.45Å; E53-T56 PolarHBondContact O-N 3.27Å; E53-S57 PolarHBondContact O-N 3.22Å
54A67.3Low63.1Low48 Ų4892.8 Ų92.840%0.39754%0.537SS..Hα-helixtrans-61.8-40.6176.800000112.1V50 L51 S57V50-A54 WeakPolarHBondContact O-CB 3.39Å; V50-A54 PolarHBondContact O-N 3.43Å; L51-A54 PolarHBondContact O-N 3.38Å; A54-S57 PolarHBondContact O-N 2.87Å; A54-S57 PolarHBondContact O-OG 2.81Å
55V66.6Low62.9Low41 Ų4192.2 Ų92.225%0.24854%0.535CS..Hα-helixtrans-76.2-33.7179.3178.50000111.9L51 A52 E53 S57 L58 L60 V62L51-V55 HydrophobicContact CG-CG2 4.47Å; L51-V55 WeakPolarHBondContact O-CB 3.38Å; L51-V55 WeakPolarHBondContact O-CG2 3.29Å; L51-V55 PolarHBondContact O-N 3.29Å; A52-V55 PolarHBondContact O-N 2.95Å; E53-V55 VanDerWaalsContact C-N 3.34Å; E53-V55 PolarHBondContact O-N 3.45Å; V55-S57 VanDerWaalsContact C-N 3.27Å; V55-S57 PolarHBondContact O-N 3.1Å; V55-L58 WeakPolarHBondContact O-CB 3.5Å; V55-L58 PolarHBondContact O-N 3.25Å; V55-L60 HydrophobicContact CG1-CB 3.86Å; V55-L60 HydrophobicContact CG1-CD1 4.24Å; V55-V62 HydrophobicContact CB-CG2 3.8Å; V55-V62 HydrophobicContact CG1-CG2 3.27Å
56T69.9Low62.5Low83 Ų8390.7 Ų90.751%0.50953%0.531SS..Hα-helixtrans-65-32.6173.5-54.40000111.3A52 E53 L58 D59A52-T56 WeakPolarHBondContact O-CB 3.42Å; A52-T56 PolarHBondContact O-N 3.12Å; A52-T56 PolarHBondContact O-OG1 3.14Å; E53-T56 PolarHBondContact O-N 3.27Å; T56-L58 PolarHBondContact O-N 3.27Å; T56-L58 VanDerWaalsContact O-N 3.15Å; T56-D59 PolarHBondContact O-N 3.23Å; T56-D59 VanDerWaalsContact O-N 3.16Å
57S71.8Confident61.6Low96 Ų9696.7 Ų96.767%0.67156%0.555SS**THydrogen-bonded Turntrans-66.6-10173.6810000114.4E53 A54 V55E53-S57 PolarHBondContact O-N 3.22Å; A54-S57 PolarHBondContact O-N 2.87Å; A54-S57 PolarHBondContact O-OG 2.81Å; V55-S57 VanDerWaalsContact C-N 3.27Å; V55-S57 PolarHBondContact O-N 3.1Å
58L71.4Confident60.8Low120 Ų12099.6 Ų99.663%0.62857%0.567SS**THydrogen-bonded Turntrans-101.614.2176.4-61170.8000112.9V55 T56 L60V55-L58 WeakPolarHBondContact O-CB 3.5Å; V55-L58 PolarHBondContact O-N 3.25Å; T56-L58 PolarHBondContact O-N 3.27Å; T56-L58 VanDerWaalsContact O-N 3.15Å; L58-L60 HydrophobicContact CB-CD1 4.38Å; L58-L60 PolarHBondContact O-N 2.9Å
59D63.9Low59.9Low164 Ų164105.7 Ų105.788%0.87759%0.588SS**THydrogen-bonded Turntrans57.924-178.1-89.9-29.1000114.4T56T56-D59 PolarHBondContact O-N 3.23Å; T56-D59 VanDerWaalsContact O-N 3.16Å
60L51.4Low58.9Low100 Ų100110.3 Ų110.352%0.52460%0.598SS.*  trans-96.9131.5175-70.3167.3000110.5V55 L58 V62V55-L60 HydrophobicContact CG1-CB 3.86Å; V55-L60 HydrophobicContact CG1-CD1 4.24Å; L58-L60 HydrophobicContact CB-CD1 4.38Å; L58-L60 PolarHBondContact O-N 2.9Å; L60-V62 PolarHBondContact O-N 2.95Å
61P52.1Low57.6Low131 Ų131111 Ų11185%0.85160%0.599SS**  trans-70.2125.617827.3-32.2000110.8
62V57.8Low56.7Low71 Ų71111 Ų11143%0.4360%0.604SS.*  trans-124.5129.5176.81760000109.8A52 V55 L60A52-V62 HydrophobicContact CB-CG1 4.12Å; V55-V62 HydrophobicContact CB-CG2 3.8Å; V55-V62 HydrophobicContact CG1-CG2 3.27Å; L60-V62 PolarHBondContact O-N 2.95Å
63A55.7Low55.6Low81 Ų81116 Ų11667%0.66963%0.629SS**  trans-114.8124.4169.500000109.1I65A63-I65 HydrophobicContact CB-CG1 4.41Å; A63-I65 PolarHBondContact O-N 3.3Å
64I56.5Low54.2Low114 Ų114115.4 Ų115.459%0.58563%0.631SS**  trans-86.2105172-58177.3000106.9T49 A52T49-I64 HydrophobicContact CG2-CD1 4.36Å; A52-I64 HydrophobicContact CB-CD1 3.81Å; A52-I64 HydrophobicContact CB-CG1 4.18Å
65I53.6Low52.9Low121 Ų121121.8 Ų121.862%0.62165%0.652SS**  trans-97.9122.9178.9-53.5171.9000108.3A63 L67A63-I65 HydrophobicContact CB-CG1 4.41Å; A63-I65 PolarHBondContact O-N 3.3Å; I65-L67 PolarHBondContact O-N 2.98Å
66N50.2Low51.2Low100 Ų100127.1 Ų127.154%0.53568%0.678SS.*  trans-79.6115.3174.1-165.4-42.4000108.8K68 E69N66-K68 PolarHBondContact O-N 3.01Å; N66-K68 PolarHBondContact OD1-N 3.27Å; N66-E69 PolarHBondContact O-N 2.81Å
67L44.3Very low49.2Very low159 Ų159131 Ų13183%0.83269%0.694SS**THydrogen-bonded Turntrans-58.6-8.6-174.3-105.289000115.2I65I65-L67 PolarHBondContact O-N 2.98Å
68K46.8Very low47.2Very low196 Ų196135.3 Ų135.385%0.85270%0.704SS**THydrogen-bonded Turntrans-80.6-16.1175.4-77.3-177172.3-178.80114.5N66N66-K68 PolarHBondContact O-N 3.01Å; N66-K68 PolarHBondContact OD1-N 3.27Å
69E42.5Very low45.2Very low173 Ų173138.7 Ų138.781%0.80872%0.716SS**SBendtrans-107.110.9-177.4-67.2179.1175.900112.6N66 D71N66-E69 PolarHBondContact O-N 2.81Å; E69-D71 PolarHBondContact O-N 3.35Å
70Y44.3Very low43.3Very low170 Ų170140.4 Ų140.467%0.66772%0.719SS**  trans-90.697.1178.7-172.6-98.8000110.3P72Y70-P72 HydrophobicContact CE1-CB 4.14Å
71D43.6Very low42.1Very low109 Ų109145 Ų14558%0.58374%0.738SS**  trans-96.9113.6168.5-164.6-18.9000108.9E69 D73E69-D71 PolarHBondContact O-N 3.35Å; D71-D73 PolarHBondContact O-N 3.3Å
72P44.8Very low40.8Very low91 Ų91148 Ų14859%0.59174%0.74SS**THydrogen-bonded Turntrans-72.6-4.4-171.627.4-33.9000115.6Y70Y70-P72 HydrophobicContact CE1-CB 4.14Å
73D42.9Very low39.4Very low121 Ų121150.2 Ų150.265%0.64776%0.756SS**THydrogen-bonded Turntrans-103.41.5-172.6-71.4-27.2000115.1D71 H75D71-D73 PolarHBondContact O-N 3.3Å; D73-H75 VanDerWaalsContact C-N 3.26Å; D73-H75 PolarHBondContact O-N 3.46Å; D73-H75 VanDerWaalsContact O-N 3.12Å
74D41.5Very low37.9Very low135 Ų135156.4 Ų156.472%0.72277%0.768SS**THydrogen-bonded Turntrans-795-168.7-131.412.3000115.6
75H40Very low36.3Very low182 Ų182159 Ų15984%0.84378%0.778SS**THydrogen-bonded Turntrans-139.347.2-177.9-76.6-31.6000115D73D73-H75 VanDerWaalsContact C-N 3.26Å; D73-H75 PolarHBondContact O-N 3.46Å; D73-H75 VanDerWaalsContact O-N 3.12Å
76L29.6Very low34.8Very low153 Ų153158.5 Ų158.580%0.80179%0.786SS**  trans-105.9109.1162.3-67174.4000109.9
77I29.6Very low33.5Very low164 Ų164158.6 Ų158.684%0.84179%0.794SS**  trans-64.6136172.2-67.7167.8000108.6E79I77-E79 PolarHBondContact O-N 3.4Å
78E29Very low32.7Very low187 Ų187156.7 Ų156.787%0.87479%0.794SS**  trans-56.2119.8177.1-61.7170.915700112.1
79E28.6Very low31.7Very low190 Ų190156 Ų15689%0.88879%0.794SS**  trans-133.3132.6151.9-76.9-166.8167.800109.6I77I77-E79 PolarHBondContact O-N 3.4Å
80E25.5Very low30.9Very low201 Ų201157.1 Ų157.194%0.93980%0.799SS**  trans-70133.5-167-61.2168.8144.400113.1
81E25.2Very low30Very low197 Ų197158 Ų15892%0.92181%0.809SS**  trans-105.2125163.6-74.3-166.616100110.6
82E26Very low29.1Very low193 Ų193162.8 Ų162.890%0.90283%0.825SS**  trans-99.4151.2160.1-90.2-150.8171.400111.5
83P28.3Very low28.1Very low117 Ų117161.7 Ų161.776%0.7683%0.83SS**  trans-101.4155.3-156.937.6-30.7000114
84F22.2Very low27.3Very low211 Ų211159.8 Ų159.893%0.92584%0.839SS**  trans-140.4121.1158.5-165.1-103.9000112.2
85E24.1Very low26.6Very low169 Ų169162.1 Ų162.179%0.7985%0.846SS**  trans-73.5153176.1-62.2-176.9148.800112.7
86S23Very low25.9Very low111 Ų111161 Ų16178%0.77685%0.846SS**  169.9113.2113.2-176.50000112.6
87S22.4Very low25.9Very low102 Ų102163.1 Ų163.171%0.71385%0.851SS**  34.7123.7129.5-166.40000121.1
88S26.4Very low25.8Very low118 Ų118164.4 Ų164.483%0.82585%0.854SS**  -178139.79731.70000112.9
89E26Very low25.9Very low183 Ų183160.6 Ų160.686%0.85585%0.848SS**  trans-75.6159.8179.4-55.9172152.400111.7
90E26.3Very low25.9Very low196 Ų196159.2 Ų159.292%0.91685%0.846SS**  -165.7126.1116.6-85.8-160.4-178.800109.8
91E25.7Very low26.2Very low187 Ų187158 Ų15887%0.87485%0.845SS**  trans-80.7151.8170.9-68-178.4140.700111.6
92F23.8Very low26.5Very low211 Ų211153.1 Ų153.193%0.92583%0.833SS**  -159.1128.6126.3-156.1-102.1000111.3
93G24Very low26.9Very low67 Ų67152.1 Ų152.169%0.69183%0.832SS**  trans-94.7-168-171.500000116.6
94G25.6Very low27.3Very low82 Ų82151.7 Ų151.785%0.84583%0.827SS**  trans155.192.4169.300000113.1
95E27Very low28Very low184 Ų184147.6 Ų147.686%0.8682%0.815SS**  trans-67.1150.9169-63.3175.3145.900111.7
96D25.6Very low29.1Very low159 Ų159145.5 Ų145.585%0.8581%0.813SS**  -174.3118119.1-99.8-25.3000112.5
97H29.8Very low30.3Very low196 Ų196148.8 Ų148.891%0.90782%0.817SS**  trans-88.8124.2165.2-110.2-84.6000108.3
98Q27.6Very low31.2Very low192 Ų192147.5 Ų147.590%0.89780%0.802SS**  trans-126.9115.7162.4-115.1176.818.100111.7
99S30.8Very low32Very low106 Ų106147.1 Ų147.174%0.74179%0.79SS**  trans-68.4138.1170.461.60000111.6
100L28.1Very low32.8Very low162 Ų162140.2 Ų140.285%0.84877%0.768SS**  trans-146103.4152.8-86.4175.3000110.5
101N33.4Very low33.6Very low174 Ų174137.3 Ų137.393%0.9375%0.752SS**  trans-80.5117.7151.9-101-17.7000107.2
102S30.3Very low34.7Very low95 Ų95132.7 Ų132.766%0.66473%0.733SS**  trans-143.9128.6162.864.90000111.2
103I35.3Very low35.7Very low173 Ų173128.9 Ų128.989%0.88772%0.719SS**  trans-42133.2171.1-79.2152.5000112
104V36Very low36.8Very low107 Ų107130.9 Ų130.965%0.64871%0.714SS**  trans-98.4124.6-175.4178.10000110.3
105D37.6Very low37.9Very low126 Ų126132.6 Ų132.667%0.67470%0.7SS**  trans-80.1147.5177.3-105.7-33.5000112.7E107 D108D105-E107 PolarHBondContact O-N 3.02Å; D105-E107 VanDerWaalsContact O-N 3.17Å; D105-D108 PolarHBondContact O-N 3.15Å
106V47Very low39.1Very low124 Ų124127.8 Ų127.875%0.75268%0.683SS**THydrogen-bonded Turntrans-74.1-5.3-169.1179.50000113.8
107E46.7Very low40.2Very low181 Ų181126.4 Ų126.485%0.84667%0.669SS**THydrogen-bonded Turntrans-92.5-11.2175.6-67.3-175.4162.400113.9D105D105-E107 PolarHBondContact O-N 3.02Å; D105-E107 VanDerWaalsContact O-N 3.17Å
108D42.1Very low41.3Very low75 Ų75123 Ų12340%0.40165%0.652SS.*SBendtrans-89.3-9.7178.6-79.5-34.4000114.1D105 G110 K111 I112D105-D108 PolarHBondContact O-N 3.15Å; D108-G110 VanDerWaalsContact C-N 3.26Å; D108-G110 PolarHBondContact O-N 3.3Å; D108-K111 PolarHBondContact O-N 3.2Å; D108-K111 IonicContact OD1-NZ 3.69Å; D108-I112 WeakPolarHBondContact O-CD1 3.19Å; D108-I112 WeakPolarHBondContact O-CG1 3.36Å; D108-I112 PolarHBondContact O-N 3.16Å; D108-I112 VanDerWaalsContact O-N 3.12Å
109L44.2Very low42.3Very low109 Ų109119 Ų11957%0.57163%0.633SS**Hα-helixtrans-63.5-30.5173.9-92.8114.7000113.1M113L109-M113 VanDerWaalsContact O-CB 3.29Å; L109-M113 WeakPolarHBondContact O-CB 3.46Å; L109-M113 PolarHBondContact O-N 3.01Å
110G41.3Very low43.2Very low39 Ų39120.1 Ų120.140%0.40263%0.625SS.*Hα-helixtrans-66.5-43.217800000112.4D108 M113 D114D108-G110 VanDerWaalsContact C-N 3.26Å; D108-G110 PolarHBondContact O-N 3.3Å; G110-M113 PolarHBondContact O-N 3.29Å; G110-D114 PolarHBondContact O-N 2.88Å; G110-D114 VanDerWaalsContact O-N 3.11Å
111K44.8Very low44.4Very low134 Ų134120.2 Ų120.258%0.58361%0.614SS**Hα-helixtrans-69.8-42.1178-66175.2-170.9158.10111.2D108 M113 D114 H115D108-K111 PolarHBondContact O-N 3.2Å; D108-K111 IonicContact OD1-NZ 3.69Å; K111-M113 VanDerWaalsContact C-N 3.29Å; K111-M113 PolarHBondContact O-N 3.29Å; K111-D114 PolarHBondContact O-N 3.09Å; K111-H115 PolarHBondContact O-CD2 3.18Å; K111-H115 PolarHBondContact O-N 3.08Å
112I48.4Very low45.4Very low91 Ų91116.5 Ų116.547%0.46759%0.591SS.*Hα-helixtrans-60.1-41.6175.9-67161.8000110.5D108 D114 H115 V116D108-I112 WeakPolarHBondContact O-CD1 3.19Å; D108-I112 WeakPolarHBondContact O-CG1 3.36Å; D108-I112 PolarHBondContact O-N 3.16Å; D108-I112 VanDerWaalsContact O-N 3.12Å; I112-D114 PolarHBondContact O-N 3.17Å; I112-H115 PolarHBondContact O-N 3.03Å; I112-V116 HydrophobicContact CG2-CG2 4.33Å; I112-V116 WeakPolarHBondContact O-CB 3.39Å; I112-V116 VanDerWaalsContact O-CG2 3.24Å; I112-V116 WeakPolarHBondContact O-CG2 3.41Å; I112-V116 PolarHBondContact O-N 3.36Å
113M43.4Very low46.2Very low130 Ų130118.3 Ų118.364%0.6459%0.587SS**Hα-helixtrans-68.5-35.2179.9-162.3166.863.700112.7L109 G110 K111 K117L109-M113 VanDerWaalsContact O-CB 3.29Å; L109-M113 WeakPolarHBondContact O-CB 3.46Å; L109-M113 PolarHBondContact O-N 3.01Å; G110-M113 PolarHBondContact O-N 3.29Å; K111-M113 VanDerWaalsContact C-N 3.29Å; K111-M113 PolarHBondContact O-N 3.29Å; M113-K117 VanDerWaalsContact O-CB 3.29Å; M113-K117 WeakPolarHBondContact O-CB 3.19Å; M113-K117 PolarHBondContact O-N 2.96Å
114D48.3Very low46.8Very low109 Ų109114.7 Ų114.758%0.58357%0.566SS**Hα-helixtrans-70-37.4173.2-76.7-23.6000112.3G110 K111 I112 K117 K118G110-D114 PolarHBondContact O-N 2.88Å; G110-D114 VanDerWaalsContact O-N 3.11Å; K111-D114 PolarHBondContact O-N 3.09Å; I112-D114 PolarHBondContact O-N 3.17Å; D114-K117 PolarHBondContact O-N 3.47Å; D114-K118 VanDerWaalsContact O-CB 3.31Å; D114-K118 WeakPolarHBondContact O-CB 3.42Å; D114-K118 PolarHBondContact O-N 3.17Å
115H48.3Very low47.3Very low119 Ų119115.3 Ų115.355%0.55156%0.562SS**Hα-helixtrans-64.1-44.7172.2-82.7-75.8000111.9K111 I112 K117 K118 E119K111-H115 PolarHBondContact O-CD2 3.18Å; K111-H115 PolarHBondContact O-N 3.08Å; I112-H115 PolarHBondContact O-N 3.03Å; H115-K117 VanDerWaalsContact C-N 3.32Å; H115-K117 PolarHBondContact O-N 3.41Å; H115-K118 PolarHBondContact O-N 2.97Å; H115-E119 WeakPolarHBondContact O-CB 3.17Å; H115-E119 WeakPolarHBondContact O-CG 3.25Å; H115-E119 PolarHBondContact O-N 3.13Å
116V52.3Low47.5Very low82 Ų82116 Ų11650%0.49756%0.561SS.*Hα-helixtrans-63.6-37.3175.9170.20000111.5I112 K120I112-V116 HydrophobicContact CG2-CG2 4.33Å; I112-V116 WeakPolarHBondContact O-CB 3.39Å; I112-V116 VanDerWaalsContact O-CG2 3.24Å; I112-V116 WeakPolarHBondContact O-CG2 3.41Å; I112-V116 PolarHBondContact O-N 3.36Å; V116-K120 VanDerWaalsContact O-CB 3.24Å; V116-K120 WeakPolarHBondContact O-CB 3.42Å; V116-K120 PolarHBondContact O-N 2.93Å
117K49.3Very low47.5Very low131 Ų131116.6 Ų116.657%0.5756%0.556SS**Hα-helixtrans-73.1-32178.8-152.9174.1-169.3176.10112.2M113 D114 H115 R121M113-K117 VanDerWaalsContact O-CB 3.29Å; M113-K117 WeakPolarHBondContact O-CB 3.19Å; M113-K117 PolarHBondContact O-N 2.96Å; D114-K117 PolarHBondContact O-N 3.47Å; H115-K117 VanDerWaalsContact C-N 3.32Å; H115-K117 PolarHBondContact O-N 3.41Å; K117-R121 WeakPolarHBondContact O-CG 3.42Å; K117-R121 PolarHBondContact O-N 2.92Å
118K51.8Low47.3Very low124 Ų124114.9 Ų114.954%0.53955%0.548SS..Hα-helixtrans-71.9-46.4172.8-169.6-180176.1-171.60111.3D114 H115 K120 R121 E122D114-K118 VanDerWaalsContact O-CB 3.31Å; D114-K118 WeakPolarHBondContact O-CB 3.42Å; D114-K118 PolarHBondContact O-N 3.17Å; H115-K118 PolarHBondContact O-N 2.97Å; K118-K120 VanDerWaalsContact C-N 3.29Å; K118-K120 PolarHBondContact O-N 3.23Å; K118-R121 PolarHBondContact O-N 3.43Å; K118-E122 VanDerWaalsContact CE-OE1 3.23Å; K118-E122 WeakPolarHBondContact CE-OE1 3.44Å; K118-E122 WeakPolarHBondContact O-CB 3.46Å; K118-E122 WeakPolarHBondContact O-CG 3.47Å; K118-E122 PolarHBondContact O-N 3.44Å
119E48.8Very low47.3Very low108 Ų108118 Ų11851%0.50556%0.558SS.*Hα-helixtrans-61.9-35.1174.3-76.6-177.1175.200112.4H115 E122 K123H115-E119 WeakPolarHBondContact O-CB 3.17Å; H115-E119 WeakPolarHBondContact O-CG 3.25Å; H115-E119 PolarHBondContact O-N 3.13Å; E119-E122 PolarHBondContact O-N 3.28Å; E119-K123 WeakPolarHBondContact O-CB 3.33Å; E119-K123 WeakPolarHBondContact O-CG 3.28Å; E119-K123 PolarHBondContact O-N 3.23Å
120K49.5Very low47.2Very low129 Ų129116.4 Ų116.456%0.56156%0.556SS**Hα-helixtrans-68-40.4175.3-169.5176179.7-1790112.2V116 K118 K123 E124V116-K120 VanDerWaalsContact O-CB 3.24Å; V116-K120 WeakPolarHBondContact O-CB 3.42Å; V116-K120 PolarHBondContact O-N 2.93Å; K118-K120 VanDerWaalsContact C-N 3.29Å; K118-K120 PolarHBondContact O-N 3.23Å; K120-K123 PolarHBondContact O-N 2.99Å; K120-E124 VanDerWaalsContact CE-OE1 3.32Å; K120-E124 WeakPolarHBondContact CE-OE1 3.26Å; K120-E124 WeakPolarHBondContact O-CB 3.23Å; K120-E124 VanDerWaalsContact O-CG 3.28Å; K120-E124 WeakPolarHBondContact O-CG 3.41Å; K120-E124 PolarHBondContact O-N 3.4Å
121R53.3Low47.2Very low164 Ų164116.4 Ų116.462%0.61956%0.556SS**Hα-helixtrans-68.7-35.6174.5-76.9179.5175.6-162.4-1.6112.5K117 K118 Q125K117-R121 WeakPolarHBondContact O-CG 3.42Å; K117-R121 PolarHBondContact O-N 2.92Å; K118-R121 PolarHBondContact O-N 3.43Å; R121-Q125 WeakPolarHBondContact O-CB 3.47Å; R121-Q125 WeakPolarHBondContact O-CG 3.49Å; R121-Q125 PolarHBondContact O-N 3.42Å
122E54.5Low46.8Very low96 Ų96116.2 Ų116.245%0.44956%0.561SS.*Hα-helixtrans-70.5-37.7175.3-72.6171.7-17800111.3K118 E119 Q125 Q126K118-E122 VanDerWaalsContact CE-OE1 3.23Å; K118-E122 WeakPolarHBondContact CE-OE1 3.44Å; K118-E122 WeakPolarHBondContact O-CB 3.46Å; K118-E122 WeakPolarHBondContact O-CG 3.47Å; K118-E122 PolarHBondContact O-N 3.44Å; E119-E122 PolarHBondContact O-N 3.28Å; E122-Q125 PolarHBondContact O-N 3.5Å; E122-Q126 WeakPolarHBondContact O-CB 3.44Å; E122-Q126 PolarHBondContact O-N 3.34Å
123K47.4Very low46.2Very low133 Ų133120.1 Ų120.158%0.57858%0.575SS**Hα-helixtrans-65.8-43.1170.6-83.6177176.7171.10113E119 K120 Q125 Q126 E127E119-K123 WeakPolarHBondContact O-CB 3.33Å; E119-K123 WeakPolarHBondContact O-CG 3.28Å; E119-K123 PolarHBondContact O-N 3.23Å; K120-K123 PolarHBondContact O-N 2.99Å; K123-Q125 VanDerWaalsContact C-N 3.33Å; K123-Q125 PolarHBondContact O-N 2.93Å; K123-Q126 PolarHBondContact O-N 3.34Å; K123-E127 WeakPolarHBondContact O-CB 3.28Å; K123-E127 WeakPolarHBondContact O-CG 3.35Å; K123-E127 PolarHBondContact O-N 2.91Å
124E46.9Very low46Very low98 Ų98124.5 Ų124.546%0.45858%0.584SS.*Hα-helixtrans-63.6-39.2176-75.9167.9-176.200110.9K120 E127 E128K120-E124 VanDerWaalsContact CE-OE1 3.32Å; K120-E124 WeakPolarHBondContact CE-OE1 3.26Å; K120-E124 WeakPolarHBondContact O-CB 3.23Å; K120-E124 VanDerWaalsContact O-CG 3.28Å; K120-E124 WeakPolarHBondContact O-CG 3.41Å; K120-E124 PolarHBondContact O-N 3.4Å; E124-E127 PolarHBondContact O-N 3.01Å; E124-E128 WeakPolarHBondContact O-CB 3.48Å; E124-E128 PolarHBondContact O-N 3.42Å
125Q46.7Very low45.6Very low120 Ų120126.3 Ų126.356%0.56159%0.594SS**Hα-helixtrans-72.4-29.4173.4-75.7-178.4-2.100113.8R121 E122 K123 K129R121-Q125 WeakPolarHBondContact O-CB 3.47Å; R121-Q125 WeakPolarHBondContact O-CG 3.49Å; R121-Q125 PolarHBondContact O-N 3.42Å; E122-Q125 PolarHBondContact O-N 3.5Å; K123-Q125 VanDerWaalsContact C-N 3.33Å; K123-Q125 PolarHBondContact O-N 2.93Å; Q125-K129 WeakPolarHBondContact O-CB 3.24Å; Q125-K129 WeakPolarHBondContact O-CG 3.37Å; Q125-K129 PolarHBondContact O-N 3.05Å
126Q43.3Very low45Very low140 Ų140128.7 Ų128.765%0.65461%0.607SS**Hα-helixtrans-71.5-38.5171.6-115.2172.9-11.500111.5E122 K123 S130E122-Q126 WeakPolarHBondContact O-CB 3.44Å; E122-Q126 PolarHBondContact O-N 3.34Å; K123-Q126 PolarHBondContact O-N 3.34Å; Q126-S130 VanDerWaalsContact O-CB 3.27Å; Q126-S130 WeakPolarHBondContact O-CB 3.47Å; Q126-S130 PolarHBondContact O-N 3.24Å
127E45.8Very low44Very low136 Ų136127.7 Ų127.764%0.63661%0.613SS**Hα-helixtrans-67.8-40.7174.1-78.9-178.2166.800111.3K123 E124 S130 G131K123-E127 WeakPolarHBondContact O-CB 3.28Å; K123-E127 WeakPolarHBondContact O-CG 3.35Å; K123-E127 PolarHBondContact O-N 2.91Å; E124-E127 PolarHBondContact O-N 3.01Å; E127-S130 WeakPolarHBondContact CA-OG 3.31Å; E127-S130 PolarHBondContact O-N 3.12Å; E127-S130 PolarHBondContact O-OG 3.43Å; E127-G131 PolarHBondContact O-N 3.4Å
128E42Very low43.6Very low145 Ų145132.3 Ų132.368%0.67863%0.627SS**Hα-helixtrans-66.8-40.3175.7-136.4176.4-169.800111.9E124 G131 L132E124-E128 WeakPolarHBondContact O-CB 3.48Å; E124-E128 PolarHBondContact O-N 3.42Å; E128-G131 PolarHBondContact O-N 2.86Å; E128-L132 PolarHBondContact O-N 2.96Å
129K43.5Very low42.7Very low141 Ų141133.1 Ų133.161%0.61364%0.638SS**Hα-helixtrans-67.6-37.4171-78.4178177.7175.30112.1Q125 G131 L132 F133Q125-K129 WeakPolarHBondContact O-CB 3.24Å; Q125-K129 WeakPolarHBondContact O-CG 3.37Å; Q125-K129 PolarHBondContact O-N 3.05Å; K129-G131 VanDerWaalsContact C-N 3.31Å; K129-G131 PolarHBondContact O-N 3.23Å; K129-L132 PolarHBondContact O-N 3.13Å; K129-F133 WeakPolarHBondContact O-CB 3.32Å; K129-F133 VanDerWaalsContact O-CD2 3.31Å; K129-F133 WeakPolarHBondContact O-CD2 3.42Å; K129-F133 PolarHBondContact O-N 2.83Å
130S42.2Very low42.4Very low75 Ų75136 Ų13652%0.52465%0.651SS.*Hα-helixtrans-65.7-34.2174.584.10000112.2Q126 E127 R134Q126-S130 VanDerWaalsContact O-CB 3.27Å; Q126-S130 WeakPolarHBondContact O-CB 3.47Å; Q126-S130 PolarHBondContact O-N 3.24Å; E127-S130 WeakPolarHBondContact CA-OG 3.31Å; E127-S130 PolarHBondContact O-N 3.12Å; E127-S130 PolarHBondContact O-OG 3.43Å; S130-R134 PolarHBondContact O-N 2.85Å
131G41.7Very low41.9Very low40 Ų40137.6 Ų137.641%0.41267%0.665SS.*Hα-helixtrans-70.6-36.3173.100000112.8E127 E128 K129E127-G131 PolarHBondContact O-N 3.4Å; E128-G131 PolarHBondContact O-N 2.86Å; K129-G131 VanDerWaalsContact C-N 3.31Å; K129-G131 PolarHBondContact O-N 3.23Å
132L35.5Very low41.8Very low130 Ų130132.6 Ų132.668%0.68167%0.665SS**Hα-helixtrans-74-38.2176.4-128.391.2000112.8E128 K129 R134 N135E128-L132 PolarHBondContact O-N 2.96Å; K129-L132 PolarHBondContact O-N 3.13Å; L132-R134 PolarHBondContact O-N 3.34Å; L132-N135 PolarHBondContact O-N 2.98Å
133F35.1Very low42.1Very low173 Ų173135.7 Ų135.776%0.75968%0.68SS**Hα-helixtrans-68.5-20.2174.7-91.1-79.8000113.1K129 N135K129-F133 WeakPolarHBondContact O-CB 3.32Å; K129-F133 VanDerWaalsContact O-CD2 3.31Å; K129-F133 WeakPolarHBondContact O-CD2 3.42Å; K129-F133 PolarHBondContact O-N 2.83Å; F133-N135 VanDerWaalsContact C-N 3.29Å; F133-N135 PolarHBondContact O-N 2.96Å
134R40.8Very low43.5Very low221 Ų221136.7 Ų136.783%0.83468%0.68SS**THydrogen-bonded Turntrans-74.4-17.8174.1-129.6174.790.6156.27.4113.8S130 L132S130-R134 PolarHBondContact O-N 2.85Å; L132-R134 PolarHBondContact O-N 3.34Å
135N39.1Very low45.2Very low148 Ų148141.7 Ų141.779%0.79169%0.694SS**SBendtrans-109.13.6-175.7-81.5-6.8000114.6L132 F133L132-N135 PolarHBondContact O-N 2.98Å; F133-N135 VanDerWaalsContact C-N 3.29Å; F133-N135 PolarHBondContact O-N 2.96Å
136M35.2Very low46.9Very low169 Ų169138.8 Ų138.883%0.83369%0.691SS**SBendtrans-137.375.9176.1-147152.667.900110.6
137G32.6Very low48.7Very low61 Ų61133.4 Ų133.463%0.62967%0.666SS**  trans17556.3-179.500000111.7N139G137-N139 PolarHBondContact O-N 2.92Å
138R40Very low50.4Low228 Ų228130.3 Ų130.386%0.8665%0.654SS**  trans-74.573.3163.8-147.6-178.1-163.3179.82.8107.3
139N32.7Very low52.1Low141 Ų141126.4 Ų126.475%0.75464%0.639SS**  trans-79111.2157.4-82-7.9000105.4G137 D141G137-N139 PolarHBondContact O-N 2.92Å; N139-D141 PolarHBondContact O-N 2.82Å; N139-D141 VanDerWaalsContact O-N 3.1Å
140E41.8Very low53.7Low168 Ų168125 Ų12579%0.78565%0.645SS**THydrogen-bonded Turntrans-69.63.4177.5-70.1-173.8150.400113.2
141D40Very low55.1Low162 Ų162124.4 Ų124.487%0.86664%0.644SS**THydrogen-bonded Turntrans-12038.7177-76-38.3000113.6N139 E143N139-D141 PolarHBondContact O-N 2.82Å; N139-D141 VanDerWaalsContact O-N 3.1Å; D141-E143 PolarHBondContact O-N 2.65Å
142G50.4Low56.5Low60 Ų60122.6 Ų122.662%0.61963%0.625SS**  trans-73.5106.9161.800000109.6R144G142-R144 PolarHBondContact O-N 2.93Å
143E61.3Low58.5Low161 Ų161123.5 Ų123.575%0.75262%0.619SS**  trans-51.7114.8-178.5-152.8-174.9165.600110.5D141 R145 K212D141-E143 PolarHBondContact O-N 2.65Å; E143-R145 PolarHBondContact O-N 3.1Å; E143-K212 IonicContact OE1-NZ 3.19Å; E143-K212 PolarHBondContact OE1-NZ 3.45Å
144R75.9Confident60.1Low154 Ų154120.1 Ų120.158%0.58161%0.606SS**PPolyproline II helixtrans-55.1141.5-178.9-66.8-177.3-175.5174.81.5109.5G142 K212G142-R144 PolarHBondContact O-N 2.93Å; R144-K212 HydrophobicContact CB-CG 3.84Å; R144-K212 WeakPolarHBondContact O-CE 3.3Å; R144-K212 VanDerWaalsContact O-CG 3.27Å; R144-K212 WeakPolarHBondContact O-CG 3.04Å
145R83.3Confident61.1Low202 Ų202110.3 Ų110.376%0.76257%0.572SS**BIsolated β-bridgetrans-75.2146.3-176.6-62.7178.7-175.9173.90.2110.6E143 W211 K212E143-R145 PolarHBondContact O-N 3.1Å; R145-W211 CarbonylContact O-C 3.55Å; R145-W211 VanDerWaalsContact O-CA 3.24Å; R145-W211 WeakPolarHBondContact O-CA 3.39Å; R145-K212 PolarHBondContact O-N 2.95Å
146A82.1Confident62.2Low59 Ų59105.5 Ų105.549%0.48855%0.546SS..PPolyproline II helixtrans-66.1139169.600000110
147M82.7Confident63.2Low27 Ų27100.8 Ų100.813%0.13353%0.527CS..SBendtrans-71.9-41.7177.8-174.1176.3-77.300111.6T149 L188 A189 P204 W209 W211M147-T149 PolarHBondContact O-N 3.3Å; M147-L188 HydrophobicContact CG-CB 3.96Å; M147-L188 HydrophobicContact CG-CD1 4.2Å; M147-L188 HydrophobicContact CG-CG 4.28Å; M147-L188 HydrophobicContact SD-CB 3.65Å; M147-L188 HydrophobicContact SD-CD1 4.33Å; M147-L188 HydrophobicContact SD-CG 3.85Å; M147-L188 PolarHBondContact SD-N 2.73Å; M147-A189 HydrophobicContact CE-CB 4.32Å; M147-P204 HydrophobicContact CG-CG 3.89Å; M147-W209 HydrophobicContact CE-CE3 4.37Å; M147-W209 HydrophobicContact CE-CH2 3.23Å; M147-W209 HydrophobicContact CE-CZ2 3.9Å; M147-W209 HydrophobicContact CE-CZ3 3.51Å; M147-W211 HydrophobicContact CB-CB 4.05Å; M147-W211 HydrophobicContact CB-CG 3.99Å; M147-W211 HydrophobicContact CE-CB 4.03Å; M147-W211 HydrophobicContact CE-CD2 3.89Å; M147-W211 HydrophobicContact CE-CE3 3.83Å; M147-W211 HydrophobicContact CE-CG 3.96Å; M147-W211 HydrophobicContact CG-CG 4.32Å
148I79.8Confident64.1Low72 Ų72104.3 Ų104.337%0.36953%0.525SS..SBendtrans-91.1102.8175.7-57.4175000108.3R153 L188I148-R153 HydrophobicContact CG2-CB 4.02Å; I148-L188 HydrophobicContact CD1-CD1 4.23Å; I148-L188 HydrophobicContact CG1-CD1 3.6Å
149T79.1Confident64.4Low62 Ų6296.4 Ų96.438%0.3850%0.498SS..  trans-80.1160.1171.2660000110.4M147 A151 L152 R153M147-T149 PolarHBondContact O-N 3.3Å; T149-A151 VanDerWaalsContact C-N 3.28Å; T149-A151 PolarHBondContact O-N 3.2Å; T149-L152 PolarHBondContact O-N 3.28Å; T149-L152 WeakPolarHBondContact OG1-CB 3.31Å; T149-L152 PolarHBondContact OG1-N 2.92Å; T149-L152 VanDerWaalsContact OG1-N 3.14Å; T149-R153 PolarHBondContact O-N 2.84Å
150P76.1Confident64.8Low112 Ų11291.6 Ų91.673%0.72747%0.474SS*.Hα-helixtrans-55-41.4174-27.735.9000113.4R153 E154P150-R153 WeakPolarHBondContact O-CB 3.32Å; P150-R153 PolarHBondContact O-N 2.85Å; P150-E154 PolarHBondContact O-N 3.21Å
151A71.1Confident64.1Low62 Ų6287 Ų8751%0.51246%0.455SS..Hα-helixtrans-65.6-40176.800000112.6T149 E154 A155T149-A151 VanDerWaalsContact C-N 3.28Å; T149-A151 PolarHBondContact O-N 3.2Å; A151-E154 PolarHBondContact O-N 2.93Å; A151-A155 WeakPolarHBondContact O-CB 3.2Å; A151-A155 PolarHBondContact O-N 3.28Å
152L72.9Confident63.5Low2 Ų281.3 Ų81.31%0.0143%0.43CS..Hα-helixtrans-66.9-39.8174.2177.455.2000111T149 A155 L156 L188 N202T149-L152 PolarHBondContact O-N 3.28Å; T149-L152 WeakPolarHBondContact OG1-CB 3.31Å; T149-L152 PolarHBondContact OG1-N 2.92Å; T149-L152 VanDerWaalsContact OG1-N 3.14Å; L152-A155 PolarHBondContact O-N 3.42Å; L152-L156 HydrophobicContact CD1-CD1 4.05Å; L152-L156 HydrophobicContact CD1-CG 4.02Å; L152-L156 HydrophobicContact CG-CD1 3.84Å; L152-L156 HydrophobicContact CG-CG 4.33Å; L152-L156 WeakPolarHBondContact O-CB 3.43Å; L152-L156 WeakPolarHBondContact O-CD1 3.3Å; L152-L156 WeakPolarHBondContact O-CG 3.36Å; L152-L156 PolarHBondContact O-N 2.83Å; L152-L188 HydrophobicContact CD2-CD1 3.99Å; L152-N202 HydrophobicContact CD1-CB 3.78Å
153R76.3Confident62.5Low149 Ų14985 Ų8556%0.56244%0.443SS*.Hα-helixtrans-58.6-48.2174-176.3179.3-62.7-77.6-0.6111.1I148 T149 P150 A155 L156 T157I148-R153 HydrophobicContact CG2-CB 4.02Å; T149-R153 PolarHBondContact O-N 2.84Å; P150-R153 WeakPolarHBondContact O-CB 3.32Å; P150-R153 PolarHBondContact O-N 2.85Å; R153-A155 VanDerWaalsContact C-N 3.35Å; R153-A155 PolarHBondContact O-N 3.27Å; R153-L156 WeakPolarHBondContact O-CB 3.48Å; R153-L156 PolarHBondContact O-N 3.46Å; R153-T157 PolarHBondContact O-N 3.05Å; R153-T157 PolarHBondContact O-OG1 2.99Å
154E68.5Low61.2Low103 Ų10382.6 Ų82.648%0.48143%0.427SS..Hα-helixtrans-61.9-41.2177.1-173.5-176.4175.100112.2P150 A151 T157 K158P150-E154 PolarHBondContact O-N 3.21Å; A151-E154 PolarHBondContact O-N 2.93Å; E154-T157 PolarHBondContact O-N 3.25Å; E154-K158 HydrophobicContact CG-CD 4.17Å; E154-K158 HydrophobicContact CG-CG 4.46Å; E154-K158 WeakPolarHBondContact O-CB 3.42Å; E154-K158 WeakPolarHBondContact O-CG 3.45Å; E154-K158 PolarHBondContact O-N 3.38Å; E154-K158 WeakPolarHBondContact OE1-CE 3.41Å; E154-K158 IonicContact OE1-NZ 3.29Å; E154-K158 PolarHBondContact OE1-NZ 3.34Å
155A63Low59Low15 Ų1583 Ų8312%0.12444%0.436CS..Hα-helixtrans-65.4-39.3175.600000113A151 L152 R153 Q159 N202A151-A155 WeakPolarHBondContact O-CB 3.2Å; A151-A155 PolarHBondContact O-N 3.28Å; L152-A155 PolarHBondContact O-N 3.42Å; R153-A155 VanDerWaalsContact C-N 3.35Å; R153-A155 PolarHBondContact O-N 3.27Å; A155-Q159 WeakPolarHBondContact O-CG 3.41Å; A155-Q159 PolarHBondContact O-N 3.3Å; A155-N202 HydrophobicContact CB-CB 4Å; A155-N202 WeakPolarHBondContact CB-ND2 3.48Å
156L61.5Low56.6Low46 Ų4684.4 Ų84.424%0.24144%0.441CS..Hα-helixtrans-61.7-46.4173.3-73.5162000110L152 R153 V160 W199L152-L156 HydrophobicContact CD1-CD1 4.05Å; L152-L156 HydrophobicContact CD1-CG 4.02Å; L152-L156 HydrophobicContact CG-CD1 3.84Å; L152-L156 HydrophobicContact CG-CG 4.33Å; L152-L156 WeakPolarHBondContact O-CB 3.43Å; L152-L156 WeakPolarHBondContact O-CD1 3.3Å; L152-L156 WeakPolarHBondContact O-CG 3.36Å; L152-L156 PolarHBondContact O-N 2.83Å; R153-L156 WeakPolarHBondContact O-CB 3.48Å; R153-L156 PolarHBondContact O-N 3.46Å; L156-V160 WeakPolarHBondContact O-CG2 3.28Å; L156-V160 PolarHBondContact O-N 2.82Å; L156-W199 HydrophobicContact CD2-CE3 4.04Å; L156-W199 HydrophobicContact CD2-CH2 3.34Å; L156-W199 HydrophobicContact CD2-CZ2 4.17Å; L156-W199 HydrophobicContact CD2-CZ3 3.24Å; L156-W199 HydrophobicContact CG-CH2 4.35Å; L156-W199 HydrophobicContact CG-CZ3 3.91Å
157T57Low54.1Low71 Ų7184.5 Ų84.544%0.43644%0.438SS..Hα-helixtrans-66.7-47.1179.3-51.70000112.6R153 E154 Q159 V160 D161R153-T157 PolarHBondContact O-N 3.05Å; R153-T157 PolarHBondContact O-OG1 2.99Å; E154-T157 PolarHBondContact O-N 3.25Å; T157-Q159 PolarHBondContact O-N 2.97Å; T157-Q159 VanDerWaalsContact O-N 3.14Å; T157-V160 WeakPolarHBondContact O-CA 3.35Å; T157-V160 VanDerWaalsContact O-CB 3.3Å; T157-V160 WeakPolarHBondContact O-CB 3.4Å; T157-V160 PolarHBondContact O-N 2.89Å; T157-D161 PolarHBondContact O-N 2.94Å
158K51.4Low51.7Low135 Ų13587.2 Ų87.259%0.58745%0.452SS*.Hα-helixtrans-61.8-26.1-179.4-75.6179.9-179174.50114.2E154E154-K158 HydrophobicContact CG-CD 4.17Å; E154-K158 HydrophobicContact CG-CG 4.46Å; E154-K158 WeakPolarHBondContact O-CB 3.42Å; E154-K158 WeakPolarHBondContact O-CG 3.45Å; E154-K158 PolarHBondContact O-N 3.38Å; E154-K158 WeakPolarHBondContact OE1-CE 3.41Å; E154-K158 IonicContact OE1-NZ 3.29Å; E154-K158 PolarHBondContact OE1-NZ 3.34Å
159Q45.3Very low49.5Very low62 Ų6285.9 Ų85.929%0.2945%0.446SS..Hα-helixtrans-83.6-20.2176-73.4-169.84.100113.4A155 T157 R164 W199A155-Q159 WeakPolarHBondContact O-CG 3.41Å; A155-Q159 PolarHBondContact O-N 3.3Å; T157-Q159 PolarHBondContact O-N 2.97Å; T157-Q159 VanDerWaalsContact O-N 3.14Å; Q159-R164 PolarHBondContact O-NH1 2.74Å; Q159-W199 VanDerWaalsContact OE1-CH2 3.25Å
160V40.6Very low46.9Very low40 Ų4088.3 Ų88.324%0.24245%0.453CS..Hα-helixtrans-72.7-35.7171163.80000110.8L156 T157 A162 S466L156-V160 WeakPolarHBondContact O-CG2 3.28Å; L156-V160 PolarHBondContact O-N 2.82Å; T157-V160 WeakPolarHBondContact O-CA 3.35Å; T157-V160 VanDerWaalsContact O-CB 3.3Å; T157-V160 WeakPolarHBondContact O-CB 3.4Å; T157-V160 PolarHBondContact O-N 2.89Å; V160-A162 VanDerWaalsContact C-N 3.32Å; V160-A162 PolarHBondContact O-N 3.46Å; V160-S466 WeakPolarHBondContact CG1-OG 3.31Å; V160-S466 WeakPolarHBondContact CG2-OG 3.27Å; V160-S466 VanDerWaalsContact O-O 3.1Å
161D28.4Very low44.7Very low72 Ų7286.4 Ų86.439%0.38544%0.439SS..SBendtrans-84.93.9-172.5-56.9-18.9000114.8T157 I468T157-D161 PolarHBondContact O-N 2.94Å; D161-I468 HydrophobicContact CB-CD1 3.77Å; D161-I468 WeakPolarHBondContact OD1-CD1 3.29Å; D161-I468 WeakPolarHBondContact OD1-CG1 3.23Å
162A27.5Very low43Very low42 Ų4285.6 Ų85.635%0.34743%0.425SS..SBendtrans-72.3125.7177.900000110.6V160 R164V160-A162 VanDerWaalsContact C-N 3.32Å; V160-A162 PolarHBondContact O-N 3.46Å; A162-R164 PolarHBondContact O-N 2.79Å
163P28.1Very low41Very low138 Ų13886.3 Ų86.390%0.89643%0.429SS*.  trans-64.1108.817925-31.3000108.8
164R35.1Very low38.8Very low110 Ų11083.7 Ų83.742%0.41543%0.425SS..  trans-120.3130.9178.8-74.3174173.4149.1-2.3108.4Q159 A162 R166Q159-R164 PolarHBondContact O-NH1 2.74Å; A162-R164 PolarHBondContact O-N 2.79Å; R164-R166 PolarHBondContact O-N 3.27Å
165E29.6Very low36.9Very low163 Ų16387.9 Ų87.976%0.76244%0.437SS*.  trans-54.3132.4-174.9-73.6179.9161.500112.1S167E165-S167 PolarHBondContact O-N 2.92Å
166R32.2Very low36.2Very low231 Ų23188.8 Ų88.887%0.87244%0.439SS*.THydrogen-bonded Turntrans-63.5-1.1178.6-67.3175177.2169.8-1.4114R164R164-R166 PolarHBondContact O-N 3.27Å
167S29.8Very low36.3Very low60 Ų6090.4 Ų90.442%0.4245%0.446SS..THydrogen-bonded Turntrans-77.1-22.6-169.974.40000114.4E165 L169 Q170E165-S167 PolarHBondContact O-N 2.92Å; S167-L169 PolarHBondContact O-N 3.37Å; S167-Q170 WeakPolarHBondContact O-CB 3.41Å; S167-Q170 PolarHBondContact O-N 2.9Å
168L32.8Very low36.7Very low84 Ų8487.4 Ų87.444%0.4443%0.428SS..Hα-helixtrans-77.8-21.2-174.6-68.3170.5000114Q170 T171 L464L168-Q170 VanDerWaalsContact C-N 3.33Å; L168-T171 PolarHBondContact O-OG1 3.42Å; L168-L464 HydrophobicContact CD1-CD1 4.29Å
169L32.2Very low37.8Very low44 Ų4481.4 Ų81.423%0.2340%0.402CS..Hα-helixtrans-75.5-23.7170.4-95.1120.5000112.6S167 T171 H172 I173 F234 W463S167-L169 PolarHBondContact O-N 3.37Å; L169-T171 VanDerWaalsContact C-N 3.31Å; L169-T171 PolarHBondContact O-N 2.74Å; L169-H172 PolarHBondContact O-N 3.02Å; L169-I173 WeakPolarHBondContact O-CG1 3.36Å; L169-I173 PolarHBondContact O-N 3.49Å; L169-F234 HydrophobicContact CB-CE1 4.38Å; L169-F234 HydrophobicContact CD1-CE1 3.44Å; L169-F234 VanDerWaalsContact CD1-CE1 3.44Å; L169-F234 HydrophobicContact CD1-CE2 4.29Å; L169-F234 HydrophobicContact CD1-CZ 3.26Å; L169-F234 HydrophobicContact CD2-CD1 3.88Å; L169-F234 HydrophobicContact CD2-CD2 4.22Å; L169-F234 HydrophobicContact CD2-CE1 3.48Å; L169-F234 VanDerWaalsContact CD2-CE1 3.48Å; L169-F234 HydrophobicContact CD2-CE2 3.82Å; L169-F234 HydrophobicContact CD2-CG 4.25Å; L169-F234 HydrophobicContact CD2-CZ 3.44Å; L169-F234 VanDerWaalsContact CD2-CZ 3.44Å; L169-F234 HydrophobicContact CG-CE1 3.91Å; L169-F234 HydrophobicContact CG-CZ 3.93Å; L169-W463 HydrophobicContact CD2-CZ3 4.42Å
170Q25.7Very low39.6Very low113 Ų11380.2 Ų80.253%0.52840%0.395SS..Hα-helixtrans-70.4-29.8-176.1-159.4147.713.100112.2S167 L168 L174S167-Q170 WeakPolarHBondContact O-CB 3.41Å; S167-Q170 PolarHBondContact O-N 2.9Å; L168-Q170 VanDerWaalsContact C-N 3.33Å; Q170-L174 WeakPolarHBondContact O-CD1 3.5Å
171T29.3Very low41.6Very low73 Ų7378.8 Ų78.845%0.44839%0.387SS..Hα-helixtrans-80.7-30.3175.340.10000113.5L168 L169 L174L168-T171 PolarHBondContact O-OG1 3.42Å; L169-T171 VanDerWaalsContact C-N 3.31Å; L169-T171 PolarHBondContact O-N 2.74Å; T171-L174 PolarHBondContact O-N 2.89Å
172H36.5Very low44.6Very low44 Ų4475.6 Ų75.620%0.20437%0.369CS..Hα-helixtrans-78.6-23.3-177.7-85.858.3000114.5L169 L174 A461L169-H172 PolarHBondContact O-N 3.02Å; H172-L174 PolarHBondContact O-N 3.45Å; H172-A461 VanDerWaalsContact CE1-CB 3.47Å; H172-A461 WeakPolarHBondContact CE1-CB 3.29Å; H172-A461 WeakPolarHBondContact NE2-CB 3.38Å
173I30.1Very low47.4Very low18 Ų1876.7 Ų76.79%0.09237%0.367CS..Hα-helixtrans-73.4-9175.4-68.5172.4000111.8L169 V240 K241 R244L169-I173 WeakPolarHBondContact O-CG1 3.36Å; L169-I173 PolarHBondContact O-N 3.49Å; I173-V240 HydrophobicContact CD1-CB 4.25Å; I173-V240 HydrophobicContact CD1-CG1 4.23Å; I173-V240 HydrophobicContact CD1-CG2 3.76Å; I173-K241 HydrophobicContact CG2-CB 4.2Å; I173-K241 HydrophobicContact CG2-CD 4.41Å; I173-K241 HydrophobicContact CG2-CG 4.07Å; I173-R244 HydrophobicContact CG2-CB 4.18Å; I173-R244 HydrophobicContact CG2-CG 4.17Å
174L29.1Very low50.3Low94 Ų9471 Ų7149%0.49233%0.33SS..Hα-helixtrans-104.6-19.4-171.4-68.5170.7000115.3Q170 T171 H172Q170-L174 WeakPolarHBondContact O-CD1 3.5Å; T171-L174 PolarHBondContact O-N 2.89Å; H172-L174 PolarHBondContact O-N 3.45Å
175W30.6Very low53.1Low190 Ų19066.7 Ų66.772%0.7232%0.316SS*.Hα-helixtrans-118-36.6-163-145.7-117.5000118
176N47.9Very low56.2Low34 Ų3459.4 Ų59.418%0.18228%0.283CS..SBendtrans-160.1179.4-176.6-80.9-31.7000115.2S178 H179 K454 I458N176-S178 PolarHBondContact O-N 2.91Å; N176-H179 PolarHBondContact O-ND1 2.89Å; N176-K454 WeakPolarHBondContact ND2-CA 3.32Å; N176-K454 WeakPolarHBondContact OD1-CA 3.38Å; N176-K454 PolarHBondContact OD1-O 2.84Å; N176-I458 HydrophobicContact CB-CD1 3.96Å; N176-I458 HydrophobicContact CB-CG1 4.25Å
177E63Low59.2Low80 Ų8048.4 Ų48.437%0.37424%0.241SC..G310 helixtrans-69.614.7179.1-70.4-159.9-15100116.1H179 R180 I458E177-H179 PolarHBondContact O-N 2.83Å; E177-R180 WeakPolarHBondContact O-CB 3.43Å; E177-R180 PolarHBondContact O-N 3.3Å; E177-R180 IonicContact OE1-NH1 3.36Å; E177-R180 WeakPolarHBondContact OE2-CD 3.5Å; E177-R180 IonicContact OE2-CZ 3.14Å; E177-R180 IonicContact OE2-NE 3.92Å; E177-R180 IonicContact OE2-NH1 2.65Å; E177-R180 PolarHBondContact OE2-NH1 2.91Å; E177-I458 HydrophobicContact CB-CD1 4.46Å
178S64.4Low62.1Low9 Ų946.6 Ų46.66%0.06323%0.227CC..G310 helixtrans-62.8-28.7178.653.40000114.2N176 R180 C181N176-S178 PolarHBondContact O-N 2.91Å; S178-R180 PolarHBondContact O-N 2.92Å; S178-C181 VanDerWaalsContact O-CB 3.27Å; S178-C181 WeakPolarHBondContact O-CB 3.14Å; S178-C181 PolarHBondContact O-N 3.21Å
179H74.9Confident64.9Low9 Ų942.6 Ų42.64%0.04221%0.206CC..G310 helixtrans-60.8-9.7172.665.9-80.4000113.6N176 E177 R244 E247 G248N176-H179 PolarHBondContact O-ND1 2.89Å; E177-H179 PolarHBondContact O-N 2.83Å; H179-R244 PolarHBondContact CD2-O 2.94Å; H179-R244 VanDerWaalsContact CD2-O 3.23Å; H179-R244 PolarHBondContact CE1-NH1 3.05Å; H179-R244 VanDerWaalsContact CE1-NH1 3.34Å; H179-E247 IonicContact CE1-OE2 3.53Å; H179-E247 PolarHBondContact CE1-OE2 3.29Å; H179-E247 WeakPolarHBondContact NE2-CB 3.28Å; H179-E247 IonicContact NE2-OE2 2.69Å; H179-E247 PolarHBondContact NE2-OE2 2.93Å; H179-G248 VanDerWaalsContact O-CA 3.25Å; H179-G248 WeakPolarHBondContact O-CA 3.34Å
180R83.1Confident67.8Low37 Ų3741.6 Ų41.614%0.1420%0.202CC..G310 helixtrans-1065.8174.8-46.4179.871.9177.619.6113.2E177 S178 E247 T250 K252 H253E177-R180 WeakPolarHBondContact O-CB 3.43Å; E177-R180 PolarHBondContact O-N 3.3Å; E177-R180 IonicContact OE1-NH1 3.36Å; E177-R180 WeakPolarHBondContact OE2-CD 3.5Å; E177-R180 IonicContact OE2-CZ 3.14Å; E177-R180 IonicContact OE2-NE 3.92Å; E177-R180 IonicContact OE2-NH1 2.65Å; E177-R180 PolarHBondContact OE2-NH1 2.91Å; S178-R180 PolarHBondContact O-N 2.92Å; R180-E247 HydrophobicContact CG-CB 4.42Å; R180-E247 PolarHBondContact NE-O 3.01Å; R180-T250 PolarHBondContact NE-O 3.23Å; R180-K252 HydrophobicContact CB-CB 4.19Å; R180-K252 HydrophobicContact CB-CG 4.37Å; R180-K252 VanDerWaalsContact NE-CG 3.34Å; R180-K252 PolarHBondContact O-N 3.06Å; R180-H253 PolarHBondContact O-N 3.43Å
181C84.2Confident71.1Confident10 Ų1036.2 Ų36.27%0.06818%0.177CC..EExtended strand (participates in β ladder)trans-90.8120.7176.3-171.30000109.9S178 H227 H253S178-C181 VanDerWaalsContact O-CB 3.27Å; S178-C181 WeakPolarHBondContact O-CB 3.14Å; S178-C181 PolarHBondContact O-N 3.21Å; C181-H227 PolarHBondContact O-CE1 3.49Å; C181-H253 WeakPolarHBondContact CA-O 3.42Å; C181-H253 HydrophobicContact CB-CB 4.07Å
182M91.2Very high74.1Confident4 Ų433.1 Ų33.12%0.0216%0.158CC..EExtended strand (participates in β ladder)trans-89.3117.8169.4177.3-178.775.700108.5T184 L220 A223 I224 H227 V251 H253 C254 A255 L275M182-T184 HydrophobicContact CE-CG2 4.07Å; M182-L220 HydrophobicContact CE-CD1 4.16Å; M182-A223 HydrophobicContact CE-CB 3.95Å; M182-A223 HydrophobicContact SD-CB 3.58Å; M182-A223 VanDerWaalsContact SD-CB 3.58Å; M182-A223 VanDerWaalsContact SD-O 3.4Å; M182-I224 HydrophobicContact CE-CG1 4.48Å; M182-I224 HydrophobicContact SD-CG1 3.96Å; M182-H227 HydrophobicContact CB-CB 4.4Å; M182-H227 HydrophobicContact CG-CB 4.05Å; M182-H227 HydrophobicContact SD-CB 4.34Å; M182-V251 HydrophobicContact CB-CG1 3.64Å; M182-V251 HydrophobicContact CB-CG2 4.13Å; M182-H253 PolarHBondContact N-O 3.12Å; M182-C254 HydrophobicContact CE-CB 4.17Å; M182-C254 CarbonylContact O-C 3.43Å; M182-C254 VanDerWaalsContact O-CA 3.29Å; M182-C254 WeakPolarHBondContact O-CA 3.22Å; M182-A255 PolarHBondContact O-N 3.16Å; M182-L275 HydrophobicContact CE-CD2 4.36Å
183E85.3Confident76.7Confident65 Ų6535.2 Ų35.230%0.30417%0.166SC..EExtended strand (participates in β ladder)trans-93.4127.9171-175.7167.5-143.500109.7A255 S257 L258E183-A255 WeakPolarHBondContact CA-O 3.49Å; E183-A255 HydrophobicContact CB-CB 4.45Å; E183-A255 HydrophobicContact CG-CB 4.43Å; E183-S257 PolarHBondContact OE1-OG 3.34Å; E183-L258 HydrophobicContact CG-CB 3.92Å; E183-L258 HydrophobicContact CG-CD1 4.06Å
184T90.3Very high79.5Confident20 Ų2035 Ų3512%0.12317%0.166CC..EExtended strand (participates in β ladder)trans-155.5177.5-177.8-169.10000111.3M182 A223 A255 L256 S257 L258M182-T184 HydrophobicContact CE-CG2 4.07Å; T184-A223 HydrophobicContact CG2-CB 4.46Å; T184-A255 PolarHBondContact N-O 3.29Å; T184-A255 VanDerWaalsContact O-O 3.11Å; T184-L256 HydrophobicContact CG2-CD2 3.84Å; T184-L256 WeakPolarHBondContact O-CA 3.04Å; T184-S257 PolarHBondContact O-N 3.22Å; T184-L258 PolarHBondContact O-N 3.48Å
185T93.3Very high82.2Confident18 Ų1830.6 Ų30.611%0.1114%0.143CC..  trans-151.1135.9170.7-175.20000110.4S187 L188 L258 V259T185-S187 VanDerWaalsContact C-N 3.27Å; T185-S187 PolarHBondContact OG1-N 3.12Å; T185-S187 PolarHBondContact OG1-O 2.86Å; T185-L188 HydrophobicContact CG2-CD2 3.77Å; T185-L258 HydrophobicContact CG2-CB 4.29Å; T185-V259 WeakPolarHBondContact CB-O 3.24Å; T185-V259 HydrophobicContact CG2-CG1 3.64Å; T185-V259 WeakPolarHBondContact CG2-O 3.09Å; T185-V259 PolarHBondContact OG1-O 2.7Å
186P94.6Very high84.6Confident10 Ų1022.9 Ų22.97%0.06512%0.115CC..SBendtrans-84.9-0.9171.635.6-35.1000112.5I219 P262 Y265 I268P186-I219 HydrophobicContact CB-CD1 4.38Å; P186-P262 HydrophobicContact CG-CB 4.32Å; P186-Y265 HydrophobicContact CB-CD1 3.85Å; P186-Y265 HydrophobicContact CB-CD2 4.18Å; P186-Y265 HydrophobicContact CB-CE1 4.4Å; P186-Y265 HydrophobicContact CB-CG 3.75Å; P186-Y265 HydrophobicContact CG-CD1 4.22Å; P186-Y265 HydrophobicContact CG-CG 4.13Å; P186-I268 HydrophobicContact CG-CD1 4.04Å
187S93.9Very high86.3Confident0 Ų023.4 Ų23.40%012%0.121CC..  trans-145.9111.6-178.1-179.90000110.9T185 A189 V259 G260 E261T185-S187 VanDerWaalsContact C-N 3.27Å; T185-S187 PolarHBondContact OG1-N 3.12Å; T185-S187 PolarHBondContact OG1-O 2.86Å; S187-A189 PolarHBondContact OG-N 3.37Å; S187-A189 PolarHBondContact OG-O 2.93Å; S187-V259 VanDerWaalsContact O-O 3.1Å; S187-G260 WeakPolarHBondContact O-CA 3.3Å; S187-E261 WeakPolarHBondContact CB-O 2.99Å; S187-E261 PolarHBondContact O-N 3.35Å; S187-E261 PolarHBondContact OG-O 3.47Å
188L91.6Very high86.7Confident23 Ų2324.5 Ų24.512%0.1212%0.121CC..  trans-76.3-14.6170.3-56.4178.8000112.1M147 I148 L152 T185 P204 V259 G260M147-L188 HydrophobicContact CG-CB 3.96Å; M147-L188 HydrophobicContact CG-CD1 4.2Å; M147-L188 HydrophobicContact CG-CG 4.28Å; M147-L188 HydrophobicContact SD-CB 3.65Å; M147-L188 HydrophobicContact SD-CD1 4.33Å; M147-L188 HydrophobicContact SD-CG 3.85Å; M147-L188 PolarHBondContact SD-N 2.73Å; I148-L188 HydrophobicContact CD1-CD1 4.23Å; I148-L188 HydrophobicContact CG1-CD1 3.6Å; L152-L188 HydrophobicContact CD2-CD1 3.99Å; T185-L188 HydrophobicContact CG2-CD2 3.77Å; L188-P204 HydrophobicContact CB-CG 4.1Å; L188-V259 HydrophobicContact CD2-CG1 3.37Å; L188-G260 WeakPolarHBondContact O-CA 3.48Å
189A92.3Very high86.7Confident0 Ų026.1 Ų26.10%013%0.126CC..  trans-78.3140.9-177.900000111.8M147 S187 P204 W211 G260 E261 M264M147-A189 HydrophobicContact CE-CB 4.32Å; S187-A189 PolarHBondContact OG-N 3.37Å; S187-A189 PolarHBondContact OG-O 2.93Å; A189-P204 VanDerWaalsContact CA-O 3.28Å; A189-P204 WeakPolarHBondContact CA-O 3.32Å; A189-P204 HydrophobicContact CB-CB 4.25Å; A189-P204 HydrophobicContact CB-CG 4.12Å; A189-W211 HydrophobicContact CB-CD2 4.36Å; A189-W211 HydrophobicContact CB-CE3 3.84Å; A189-W211 HydrophobicContact CB-CH2 3.17Å; A189-W211 HydrophobicContact CB-CZ2 3.73Å; A189-W211 HydrophobicContact CB-CZ3 3.22Å; A189-G260 CarbonylContact O-C 3.23Å; A189-E261 WeakPolarHBondContact O-CB 2.96Å; A189-E261 PolarHBondContact O-N 3Å; A189-M264 HydrophobicContact CB-SD 3.75Å
190C92.9Very high86.1Confident22 Ų2227 Ų2715%0.14913%0.13CC..BIsolated β-bridgetrans-134150179.1-1640000112.5N192 P204 V205 G206 N287C190-N192 VanDerWaalsContact C-N 3.35Å; C190-N192 PolarHBondContact SG-N 3.32Å; C190-N192 VanDerWaalsContact SG-N 3.39Å; C190-P204 PolarHBondContact N-O 3.21Å; C190-V205 VanDerWaalsContact O-CA 3.26Å; C190-V205 WeakPolarHBondContact O-CA 3.49Å; C190-G206 CarbonylContact C-O 3.54Å; C190-G206 PolarHBondContact O-N 3.44Å; C190-N287 PolarHBondContact SG-ND2 2.83Å
191A93.8Very high85.1Confident0 Ų030.6 Ų30.60%015%0.148CC..SBendtrans-88.3-1.9172.200000113.7G206 M264 Q289 F290 L322 F323A191-G206 WeakPolarHBondContact CA-O 3.42Å; A191-M264 HydrophobicContact CB-CE 4.44Å; A191-Q289 HydrophobicContact CB-CB 4.2Å; A191-Q289 HydrophobicContact CB-CG 4.45Å; A191-F290 HydrophobicContact CB-CE2 3.57Å; A191-F290 HydrophobicContact CB-CZ 3.69Å; A191-L322 WeakPolarHBondContact O-CB 3.49Å; A191-L322 VanDerWaalsContact O-CG 3.23Å; A191-L322 WeakPolarHBondContact O-CG 3.35Å; A191-L322 PolarHBondContact O-N 3.13Å; A191-F323 HydrophobicContact CB-CD2 4.09Å; A191-F323 HydrophobicContact CB-CE2 3.7Å
192N92.6Very high84.5Confident8 Ų833.5 Ų33.54%0.04316%0.163CC..BIsolated β-bridgetrans-123.3155-179.3-71.35.2000111.2C190 C194 Q289 D319 P321C190-N192 VanDerWaalsContact C-N 3.35Å; C190-N192 PolarHBondContact SG-N 3.32Å; C190-N192 VanDerWaalsContact SG-N 3.39Å; N192-C194 VanDerWaalsContact CB-SG 3.55Å; N192-Q289 VanDerWaalsContact OD1-CG 3.26Å; N192-Q289 WeakPolarHBondContact OD1-CG 3.44Å; N192-D319 WeakPolarHBondContact CB-O 3.36Å; N192-D319 PolarHBondContact ND2-OD2 3.3Å; N192-P321 WeakPolarHBondContact OD1-CA 3.47Å; N192-P321 WeakPolarHBondContact OD1-CB 3.23Å
193K91.1Very high83.9Confident89 Ų8934.2 Ų34.239%0.38717%0.167SC..  trans-123.756.4171.8-68.6-175.3174.7-176.40109.3V195 H200 V205 D319 R320K193-V195 PolarHBondContact O-N 3.36Å; K193-H200 PolarHBondContact O-CE1 2.94Å; K193-V205 HydrophobicContact CG-CG1 4.11Å; K193-D319 CarbonylContact C-O 3.6Å; K193-D319 VanDerWaalsContact C-O 3.23Å; K193-D319 PolarHBondContact N-O 3.25Å; K193-R320 HydrophobicContact CB-CB 4.08Å; K193-R320 PolarHBondContact N-O 3.47Å; K193-R320 WeakPolarHBondContact O-CB 3.34Å; K193-R320 WeakPolarHBondContact O-CD 3.16Å
194C88.8Confident84Confident12 Ų1232.2 Ų32.28%0.08116%0.159CC..  trans-62.4129-169.2-46.90000111.6N192 F196 C197 H200 I318 D319N192-C194 VanDerWaalsContact CB-SG 3.55Å; C194-F196 HydrophobicContact CB-CD1 4.46Å; C194-F196 HydrophobicContact CB-CD2 4.2Å; C194-F196 HydrophobicContact CB-CE1 3.98Å; C194-F196 HydrophobicContact CB-CE2 3.66Å; C194-F196 HydrophobicContact CB-CZ 3.51Å; C194-F196 PolarHBondContact O-N 3.27Å; C194-C197 HydrophobicContact CB-CB 4.27Å; C194-C197 WeakPolarHBondContact O-CB 3.49Å; C194-C197 PolarHBondContact O-N 2.8Å; C194-H200 PolarHBondContact O-CE1 3.28Å; C194-H200 PolarHBondContact O-NE2 2.95Å; C194-I318 CarbonylContact C-O 3.56Å; C194-I318 WeakPolarHBondContact CA-O 3.39Å; C194-D319 WeakPolarHBondContact CA-O 3.35Å; C194-D319 PolarHBondContact N-O 3.15Å; C194-D319 VanDerWaalsContact N-O 3.13Å
195V86.3Confident83.9Confident3 Ų333.9 Ų33.92%0.01817%0.17CC..THydrogen-bonded Turntrans-48.1-23.9-176.6-68.90000116.2K193 H200 K317 I318 W354 S388K193-V195 PolarHBondContact O-N 3.36Å; V195-H200 WeakPolarHBondContact CA-CE1 3.32Å; V195-H200 WeakPolarHBondContact CA-NE2 3.45Å; V195-H200 PolarHBondContact N-CE1 3.05Å; V195-H200 PolarHBondContact O-NE2 2.96Å; V195-K317 WeakPolarHBondContact CG1-O 3.4Å; V195-I318 WeakPolarHBondContact CG1-O 3.49Å; V195-I318 HydrophobicContact CG2-CB 4.34Å; V195-I318 HydrophobicContact CG2-CG2 3.92Å; V195-I318 WeakPolarHBondContact CG2-O 3.24Å; V195-I318 PolarHBondContact N-O 2.98Å; V195-W354 HydrophobicContact CB-CH2 4.47Å; V195-W354 HydrophobicContact CB-CZ3 4.13Å; V195-W354 HydrophobicContact CG2-CE3 4.23Å; V195-W354 HydrophobicContact CG2-CH2 4.19Å; V195-W354 HydrophobicContact CG2-CZ3 3.4Å; V195-S388 WeakPolarHBondContact O-CB 3.28Å; V195-S388 PolarHBondContact O-OG 3.48Å
196F81.8Confident83.8Confident28 Ų2833.4 Ų33.412%0.12317%0.168CC..THydrogen-bonded Turntrans-100.2-3176.852.7-105.5000114.4C194 W198 D308 I318 M349 V379 L390C194-F196 HydrophobicContact CB-CD1 4.46Å; C194-F196 HydrophobicContact CB-CD2 4.2Å; C194-F196 HydrophobicContact CB-CE1 3.98Å; C194-F196 HydrophobicContact CB-CE2 3.66Å; C194-F196 HydrophobicContact CB-CZ 3.51Å; C194-F196 PolarHBondContact O-N 3.27Å; F196-W198 PolarHBondContact O-N 2.95Å; F196-D308 HydrophobicContact CE1-CB 3.93Å; F196-D308 HydrophobicContact CZ-CB 3.89Å; F196-D308 VanDerWaalsContact CZ-CG 3.45Å; F196-D308 WeakPolarHBondContact CZ-OD2 3.24Å; F196-I318 HydrophobicContact CD1-CG2 4.03Å; F196-I318 HydrophobicContact CE1-CG2 3.47Å; F196-I318 VanDerWaalsContact CE1-CG2 3.47Å; F196-M349 HydrophobicContact CB-SD 4.05Å; F196-M349 HydrophobicContact CD1-SD 3.77Å; F196-M349 HydrophobicContact CD2-CE 3.98Å; F196-M349 HydrophobicContact CD2-SD 3.42Å; F196-M349 WeakPolarHBondContact CD2-SD 3.1Å; F196-M349 HydrophobicContact CE1-SD 4.05Å; F196-M349 HydrophobicContact CE2-CE 3.99Å; F196-M349 HydrophobicContact CE2-SD 3.77Å; F196-M349 HydrophobicContact CG-SD 3.44Å; F196-M349 WeakPolarHBondContact CG-SD 2.86Å; F196-M349 HydrophobicContact CZ-SD 4.08Å; F196-V379 HydrophobicContact CB-CG2 3.85Å; F196-L390 HydrophobicContact CB-CD2 4.16Å
197C82.1Confident83.7Confident45 Ų4535.7 Ų35.730%0.30418%0.182SC..  trans-70.3123.2-179.7-175.70000110.5C194 W199 H200C194-C197 HydrophobicContact CB-CB 4.27Å; C194-C197 WeakPolarHBondContact O-CB 3.49Å; C194-C197 PolarHBondContact O-N 2.8Å; C197-W199 PolarHBondContact O-N 3.44Å; C197-H200 PolarHBondContact O-CD2 3.21Å; C197-H200 PolarHBondContact O-N 3.22Å
198W72.6Confident83.6Confident102 Ų10241.4 Ų41.439%0.38621%0.209SC..THydrogen-bonded Turntrans-64.5-21.4-173.1-66.652000113.6F196 C382F196-W198 PolarHBondContact O-N 2.95Å; W198-C382 HydrophobicContact CD2-CB 3.68Å; W198-C382 HydrophobicContact CE3-CB 4.05Å; W198-C382 HydrophobicContact CG-CB 4.17Å; W198-C382 HydrophobicContact CH2-CB 4.22Å; W198-C382 HydrophobicContact CZ2-CB 3.9Å; W198-C382 WeakPolarHBondContact CZ2-SG 3.34Å; W198-C382 HydrophobicContact CZ3-CB 4.28Å; W198-C382 PolarHBondContact NE1-SG 2.87Å
199W64.6Low83.7Confident43 Ų4342.6 Ų42.616%0.16321%0.212CC..THydrogen-bonded Turntrans-105.513-168.8-57.596.1000113.9L156 Q159 C197 H201 N202 N203 V259L156-W199 HydrophobicContact CD2-CE3 4.04Å; L156-W199 HydrophobicContact CD2-CH2 3.34Å; L156-W199 HydrophobicContact CD2-CZ2 4.17Å; L156-W199 HydrophobicContact CD2-CZ3 3.24Å; L156-W199 HydrophobicContact CG-CH2 4.35Å; L156-W199 HydrophobicContact CG-CZ3 3.91Å; Q159-W199 VanDerWaalsContact OE1-CH2 3.25Å; C197-W199 PolarHBondContact O-N 3.44Å; W199-H201 PolarHBondContact O-N 3.4Å; W199-N202 PolarHBondContact O-N 3.36Å; W199-N202 VanDerWaalsContact O-N 3.15Å; W199-N203 HydrophobicContact CB-CB 4.39Å; W199-N203 VanDerWaalsContact CB-CG 3.43Å; W199-N203 WeakPolarHBondContact CB-ND2 3.27Å; W199-N203 PolarHBondContact O-N 2.91Å; W199-V259 HydrophobicContact CB-CG2 4.04Å; W199-V259 HydrophobicContact CD2-CG2 4.14Å; W199-V259 HydrophobicContact CG-CG2 3.57Å
200H61Low83.7Confident27 Ų2747 Ų4713%0.12524%0.235CC..THydrogen-bonded Turntrans-30.2-46.2-174.4-97.1-67.2000118K193 C194 V195 C197K193-H200 PolarHBondContact O-CE1 2.94Å; C194-H200 PolarHBondContact O-CE1 3.28Å; C194-H200 PolarHBondContact O-NE2 2.95Å; V195-H200 WeakPolarHBondContact CA-CE1 3.32Å; V195-H200 WeakPolarHBondContact CA-NE2 3.45Å; V195-H200 PolarHBondContact N-CE1 3.05Å; V195-H200 PolarHBondContact O-NE2 2.96Å; C197-H200 PolarHBondContact O-CD2 3.21Å; C197-H200 PolarHBondContact O-N 3.22Å
201H63.3Low83.7Confident114 Ų11446.9 Ų46.953%0.52823%0.231SC..THydrogen-bonded Turntrans-99.8-24.5-169.1-65.6-54.2000114.6W199 A387W199-H201 PolarHBondContact O-N 3.4Å; H201-A387 WeakPolarHBondContact CE1-CB 3.33Å; H201-A387 WeakPolarHBondContact NE2-CB 3.36Å
202N70.7Confident83.6Confident70 Ų7051.7 Ų51.737%0.37425%0.252SS..THydrogen-bonded Turntrans-103.3-24.9-166.1-59.4-35.4000111.9L152 A155 W199L152-N202 HydrophobicContact CD1-CB 3.78Å; A155-N202 HydrophobicContact CB-CB 4Å; A155-N202 WeakPolarHBondContact CB-ND2 3.48Å; W199-N202 PolarHBondContact O-N 3.36Å; W199-N202 VanDerWaalsContact O-N 3.15Å
203N78.5Confident83.6Confident20 Ų2053.5 Ų53.511%0.10726%0.261CS..SBendtrans-72.5145.4-178.3-79.41.7000112.8W199 V259W199-N203 HydrophobicContact CB-CB 4.39Å; W199-N203 VanDerWaalsContact CB-CG 3.43Å; W199-N203 WeakPolarHBondContact CB-ND2 3.27Å; W199-N203 PolarHBondContact O-N 2.91Å; N203-V259 WeakPolarHBondContact ND2-CG2 2.96Å
204P87.3Confident83.8Confident22 Ų2253.6 Ų53.614%0.14327%0.266CS..  trans-60.5144.2167.822.4-26000109.8M147 L188 A189 C190 W211M147-P204 HydrophobicContact CG-CG 3.89Å; L188-P204 HydrophobicContact CB-CG 4.1Å; A189-P204 VanDerWaalsContact CA-O 3.28Å; A189-P204 WeakPolarHBondContact CA-O 3.32Å; A189-P204 HydrophobicContact CB-CB 4.25Å; A189-P204 HydrophobicContact CB-CG 4.12Å; C190-P204 PolarHBondContact N-O 3.21Å; P204-W211 HydrophobicContact CB-CZ2 3.57Å
205V89.3Confident84.2Confident55 Ų5557.2 Ų57.233%0.33328%0.281SS..BIsolated β-bridgetrans-125.4141.7175.3-68.50000109.7C190 K193 L322C190-V205 VanDerWaalsContact O-CA 3.26Å; C190-V205 WeakPolarHBondContact O-CA 3.49Å; K193-V205 HydrophobicContact CG-CG1 4.11Å; V205-L322 HydrophobicContact CB-CD1 3.82Å; V205-L322 HydrophobicContact CG2-CD1 4.42Å
206G90.7Very high84.8Confident8 Ų857 Ų578%0.08228%0.28CS..  trans-172.6157.7-178.400000112.3C190 A191 M264C190-G206 CarbonylContact C-O 3.54Å; C190-G206 PolarHBondContact O-N 3.44Å; A191-G206 WeakPolarHBondContact CA-O 3.42Å; G206-M264 WeakPolarHBondContact O-CE 3.26Å
207T92.8Very high85.6Confident58 Ų5859.3 Ų59.336%0.35629%0.292SS..SBendtrans-98.5-5.9174.1520000112.2F290 L322 F323T207-F290 WeakPolarHBondContact O-CE1 3.48Å; T207-L322 HydrophobicContact CG2-CB 3.89Å; T207-F323 VanDerWaalsContact CB-CE1 3.44Å; T207-F323 VanDerWaalsContact CB-CZ 3.43Å; T207-F323 HydrophobicContact CG2-CD1 3.72Å; T207-F323 HydrophobicContact CG2-CD2 4.04Å; T207-F323 HydrophobicContact CG2-CE1 3.6Å; T207-F323 HydrophobicContact CG2-CE2 3.91Å; T207-F323 HydrophobicContact CG2-CG 3.96Å; T207-F323 HydrophobicContact CG2-CZ 3.7Å; T207-F323 WeakPolarHBondContact O-CZ 3.48Å
208E92.4Very high86.3Confident121 Ų12160.2 Ų60.257%0.56529%0.292SS*.SBendtrans-152.1165.9-179.166.5-174.4168.100109.9L210 W211E208-L210 HydrophobicContact CG-CD1 4.44Å; E208-L210 HydrophobicContact CG-CD2 3.85Å; E208-L210 HydrophobicContact CG-CG 4Å; E208-L210 PolarHBondContact O-N 3.34Å; E208-W211 WeakPolarHBondContact O-CZ3 3.47Å
209W93.6Very high87.5Confident47 Ų4756.6 Ų56.618%0.17828%0.28CS..  trans-78.2117.5-179.5-173.4-87.5000112.2M147 W211 M213 M264 Y265 P266M147-W209 HydrophobicContact CE-CE3 4.37Å; M147-W209 HydrophobicContact CE-CH2 3.23Å; M147-W209 HydrophobicContact CE-CZ2 3.9Å; M147-W209 HydrophobicContact CE-CZ3 3.51Å; W209-W211 HydrophobicContact CD2-CE3 4.13Å; W209-W211 HydrophobicContact CE3-CE3 4.12Å; W209-W211 HydrophobicContact CZ2-CB 4.27Å; W209-W211 PolarHBondContact NE1-O 3.24Å; W209-M213 HydrophobicContact CZ2-CB 3.99Å; W209-M213 HydrophobicContact CZ2-CG 3.94Å; W209-M264 HydrophobicContact CE3-CG 4.35Å; W209-Y265 AromaticContact CH2-CD2 3.68Å; W209-Y265 HydrophobicContact CH2-CD2 3.68Å; W209-Y265 HydrophobicContact CH2-CE2 4.37Å; W209-Y265 HydrophobicContact CZ2-CD2 4.27Å; W209-Y265 AromaticContact CZ3-CD2 4Å; W209-Y265 HydrophobicContact CZ3-CD2 4Å; W209-P266 HydrophobicContact CB-CG 3.86Å; W209-P266 HydrophobicContact CD2-CG 3.72Å; W209-P266 HydrophobicContact CE3-CG 4.28Å; W209-P266 HydrophobicContact CG-CG 3.49Å; W209-P266 VanDerWaalsContact CG-CG 3.49Å
210L91.8Very high89Confident93 Ų9355 Ų5549%0.48728%0.275SS..  trans-1223-176.2-61.7175.8000114.2E208E208-L210 HydrophobicContact CG-CD1 4.44Å; E208-L210 HydrophobicContact CG-CD2 3.85Å; E208-L210 HydrophobicContact CG-CG 4Å; E208-L210 PolarHBondContact O-N 3.34Å
211W92.6Very high90.8Very high20 Ų2059.8 Ų59.88%0.07630%0.295CS..BIsolated β-bridgetrans-104.1160.3-168.7-58.5-84.5000113.5R145 M147 A189 P204 E208 W209 M213 M264R145-W211 CarbonylContact O-C 3.55Å; R145-W211 VanDerWaalsContact O-CA 3.24Å; R145-W211 WeakPolarHBondContact O-CA 3.39Å; M147-W211 HydrophobicContact CB-CB 4.05Å; M147-W211 HydrophobicContact CB-CG 3.99Å; M147-W211 HydrophobicContact CE-CB 4.03Å; M147-W211 HydrophobicContact CE-CD2 3.89Å; M147-W211 HydrophobicContact CE-CE3 3.83Å; M147-W211 HydrophobicContact CE-CG 3.96Å; M147-W211 HydrophobicContact CG-CG 4.32Å; A189-W211 HydrophobicContact CB-CD2 4.36Å; A189-W211 HydrophobicContact CB-CE3 3.84Å; A189-W211 HydrophobicContact CB-CH2 3.17Å; A189-W211 HydrophobicContact CB-CZ2 3.73Å; A189-W211 HydrophobicContact CB-CZ3 3.22Å; P204-W211 HydrophobicContact CB-CZ2 3.57Å; E208-W211 WeakPolarHBondContact O-CZ3 3.47Å; W209-W211 HydrophobicContact CD2-CE3 4.13Å; W209-W211 HydrophobicContact CE3-CE3 4.12Å; W209-W211 HydrophobicContact CZ2-CB 4.27Å; W209-W211 PolarHBondContact NE1-O 3.24Å; W211-M213 PolarHBondContact O-N 2.89Å; W211-M264 HydrophobicContact CH2-SD 4.47Å; W211-M264 HydrophobicContact CZ3-SD 3.92Å
212K91.1Very high92.4Very high100 Ų10059 Ų5944%0.43529%0.291SS..  trans-57131.3163.7-67.4-172.7-178.8-174.40107.8E143 R144 R145E143-K212 IonicContact OE1-NZ 3.19Å; E143-K212 PolarHBondContact OE1-NZ 3.45Å; R144-K212 HydrophobicContact CB-CG 3.84Å; R144-K212 WeakPolarHBondContact O-CE 3.3Å; R144-K212 VanDerWaalsContact O-CG 3.27Å; R144-K212 WeakPolarHBondContact O-CG 3.04Å; R145-K212 PolarHBondContact O-N 2.95Å
213M94Very high93.6Very high47 Ų4756.1 Ų56.123%0.23228%0.277CS..  trans-110.1121.5-171.7-171.5-174.278.800109.2W209 W211 Y265 P266 E267W209-M213 HydrophobicContact CZ2-CB 3.99Å; W209-M213 HydrophobicContact CZ2-CG 3.94Å; W211-M213 PolarHBondContact O-N 2.89Å; M213-Y265 HydrophobicContact CG-CD2 4.33Å; M213-Y265 HydrophobicContact CG-CE2 3.58Å; M213-Y265 HydrophobicContact SD-CE2 4.12Å; M213-P266 HydrophobicContact SD-CB 3.81Å; M213-P266 HydrophobicContact SD-CG 3.79Å; M213-E267 HydrophobicContact CE-CG 3.92Å; M213-E267 VanDerWaalsContact CE-OE1 3.28Å; M213-E267 WeakPolarHBondContact CE-OE1 3.45Å; M213-E267 HydrophobicContact SD-CG 4.27Å
214D95.1Very high94.4Very high91 Ų9157 Ų5749%0.48728%0.282SS..  trans-80.4152.6170.3-65.3-41.3000110.7M218 I219 Y265D214-M218 HydrophobicContact CB-CE 3.57Å; D214-M218 HydrophobicContact CB-SD 4.36Å; D214-I219 HydrophobicContact CB-CD1 4.19Å; D214-I219 HydrophobicContact CB-CG1 4.02Å; D214-Y265 PolarHBondContact O-OH 2.96Å
215Q97.6Very high94.8Very high87 Ų8760 Ų6041%0.40729%0.294SS..  trans-73.9143.6179.2-68.5-63.7-60.500110.9E217 M218 I219Q215-E217 VanDerWaalsContact C-N 3.27Å; Q215-E217 PolarHBondContact O-N 2.91Å; Q215-M218 PolarHBondContact O-N 3.25Å; Q215-M218 VanDerWaalsContact O-N 3.09Å; Q215-I219 WeakPolarHBondContact O-CG1 3.48Å; Q215-I219 PolarHBondContact O-N 2.94Å; Q215-I219 VanDerWaalsContact O-N 3.13Å
216P97.9Very high94.9Very high0 Ų061.6 Ų61.60%030%0.301CS..Hα-helixtrans-64.9-28.7-173.326-34.1000113.3I219 L220 Y265 E267 R270 F271 L274P216-I219 PolarHBondContact O-N 3.35Å; P216-L220 WeakPolarHBondContact O-CB 3.37Å; P216-L220 PolarHBondContact O-N 3.38Å; P216-Y265 HydrophobicContact CB-CE1 4.29Å; P216-Y265 WeakPolarHBondContact CD-OH 3.42Å; P216-E267 VanDerWaalsContact CD-OE2 3.23Å; P216-E267 WeakPolarHBondContact CD-OE2 3.29Å; P216-E267 HydrophobicContact CG-CB 4.36Å; P216-E267 WeakPolarHBondContact CG-OE2 3.28Å; P216-R270 HydrophobicContact CG-CB 4.19Å; P216-R270 HydrophobicContact CG-CG 3.73Å; P216-F271 HydrophobicContact CB-CB 3.89Å; P216-F271 HydrophobicContact CB-CD2 3.92Å; P216-F271 HydrophobicContact CB-CG 4.43Å; P216-L274 HydrophobicContact CB-CD1 3.89Å; P216-L274 HydrophobicContact CG-CD1 4.16Å
217E98.1Very high94.8Very high76 Ų7661.7 Ų61.736%0.35530%0.299SS..Hα-helixtrans-63.9-41.2174.5-65.877-170.900112.2Q215 K221 R270 L274Q215-E217 VanDerWaalsContact C-N 3.27Å; Q215-E217 PolarHBondContact O-N 2.91Å; E217-K221 WeakPolarHBondContact O-CB 3.44Å; E217-K221 PolarHBondContact O-N 3.29Å; E217-R270 IonicContact OE1-CZ 3.98Å; E217-R270 IonicContact OE1-NE 3.68Å; E217-R270 PolarHBondContact OE1-NE 3.47Å; E217-R270 IonicContact OE1-NH2 3.37Å; E217-R270 PolarHBondContact OE1-NH2 3.29Å; E217-R270 IonicContact OE2-CZ 2.83Å; E217-R270 IonicContact OE2-NE 2.98Å; E217-R270 IonicContact OE2-NH2 3.05Å; E217-R270 PolarHBondContact OE2-NH2 3.13Å; E217-R270 VanDerWaalsContact OE2-NH2 3.1Å; E217-L274 HydrophobicContact CB-CD1 4.43Å; E217-L274 HydrophobicContact CG-CD1 3.82Å; E217-L274 HydrophobicContact CG-CD2 4.24Å
218M97.6Very high94.7Very high64 Ų6461.7 Ų61.732%0.31530%0.295SS..Hα-helixtrans-67.4-48177.3176.9-83.2-109.300109.9D214 Q215 L220 K221 E222D214-M218 HydrophobicContact CB-CE 3.57Å; D214-M218 HydrophobicContact CB-SD 4.36Å; Q215-M218 PolarHBondContact O-N 3.25Å; Q215-M218 VanDerWaalsContact O-N 3.09Å; M218-L220 VanDerWaalsContact C-N 3.29Å; M218-L220 PolarHBondContact O-N 2.91Å; M218-K221 PolarHBondContact O-N 3.33Å; M218-E222 HydrophobicContact CG-CG 4.47Å; M218-E222 PolarHBondContact O-N 3.1Å; M218-E222 VanDerWaalsContact SD-CD 3.57Å; M218-E222 HydrophobicContact SD-CG 4.17Å
219I97.1Very high94.5Very high25 Ų2559.3 Ų59.313%0.12829%0.286CS..Hα-helixtrans-56.1-45.8178.9-61.8171.3000110.5P186 D214 Q215 P216 A223 Y265 F271P186-I219 HydrophobicContact CB-CD1 4.38Å; D214-I219 HydrophobicContact CB-CD1 4.19Å; D214-I219 HydrophobicContact CB-CG1 4.02Å; Q215-I219 WeakPolarHBondContact O-CG1 3.48Å; Q215-I219 PolarHBondContact O-N 2.94Å; Q215-I219 VanDerWaalsContact O-N 3.13Å; P216-I219 PolarHBondContact O-N 3.35Å; I219-A223 WeakPolarHBondContact O-CB 3.34Å; I219-A223 PolarHBondContact O-N 3.08Å; I219-Y265 HydrophobicContact CD1-CE1 4.43Å; I219-Y265 HydrophobicContact CD1-CE2 3.88Å; I219-F271 HydrophobicContact CB-CD2 4.43Å; I219-F271 HydrophobicContact CB-CE2 4Å; I219-F271 HydrophobicContact CG2-CD2 4.35Å; I219-F271 HydrophobicContact CG2-CE2 3.63Å; I219-F271 HydrophobicContact CG2-CZ 4.23Å
220L97.6Very high94.2Very high10 Ų1059.9 Ų59.95%0.05229%0.292CS..Hα-helixtrans-66.1-44.4-179.717857.7000111.9M182 P216 M218 A223 I224 F271 L274 L275M182-L220 HydrophobicContact CE-CD1 4.16Å; P216-L220 WeakPolarHBondContact O-CB 3.37Å; P216-L220 PolarHBondContact O-N 3.38Å; M218-L220 VanDerWaalsContact C-N 3.29Å; M218-L220 PolarHBondContact O-N 2.91Å; L220-A223 PolarHBondContact O-N 3.04Å; L220-I224 HydrophobicContact CD1-CD1 3.83Å; L220-I224 HydrophobicContact CD1-CG1 4.14Å; L220-I224 HydrophobicContact CG-CD1 4.04Å; L220-I224 WeakPolarHBondContact O-CG1 3.38Å; L220-I224 PolarHBondContact O-N 3.23Å; L220-F271 HydrophobicContact CB-CE2 3.87Å; L220-L274 HydrophobicContact CD2-CB 3.69Å; L220-L275 HydrophobicContact CD1-CD2 3.48Å; L220-L275 VanDerWaalsContact CD1-CD2 3.48Å; L220-L275 HydrophobicContact CD1-CG 4.38Å
221K97.8Very high93.8Very high128 Ų12856.2 Ų56.256%0.55727%0.272SS*.Hα-helixtrans-58.7-52.3178.9179.7-174.7168.8-170.10110.7E217 M218 A223 I224 E225E217-K221 WeakPolarHBondContact O-CB 3.44Å; E217-K221 PolarHBondContact O-N 3.29Å; M218-K221 PolarHBondContact O-N 3.33Å; K221-A223 VanDerWaalsContact C-N 3.34Å; K221-A223 PolarHBondContact O-N 2.86Å; K221-I224 PolarHBondContact O-N 3.01Å; K221-E225 WeakPolarHBondContact CE-OE1 3.36Å; K221-E225 IonicContact NZ-OE1 3.82Å; K221-E225 WeakPolarHBondContact O-CG 3.34Å; K221-E225 PolarHBondContact O-N 2.86Å
222E97Very high93.5Very high96 Ų9659.9 Ų59.945%0.44929%0.288SS..Hα-helixtrans-66-36.7-179.3-69-170.4-173.400111.9M218 I224 E225 N226M218-E222 HydrophobicContact CG-CG 4.47Å; M218-E222 PolarHBondContact O-N 3.1Å; M218-E222 VanDerWaalsContact SD-CD 3.57Å; M218-E222 HydrophobicContact SD-CG 4.17Å; E222-I224 PolarHBondContact O-N 3.39Å; E222-E225 PolarHBondContact O-N 3.08Å; E222-N226 VanDerWaalsContact O-CB 3.28Å; E222-N226 WeakPolarHBondContact O-CB 3.45Å; E222-N226 PolarHBondContact O-N 2.65Å; E222-N226 PolarHBondContact O-ND2 3.14Å; E222-N226 VanDerWaalsContact O-ND2 3.11Å
223A95.1Very high93.3Very high10 Ų1060.2 Ų60.28%0.08329%0.292CS..Hα-helixtrans-60.9-43.3175.300000112M182 T184 I219 L220 K221 H227M182-A223 HydrophobicContact CE-CB 3.95Å; M182-A223 HydrophobicContact SD-CB 3.58Å; M182-A223 VanDerWaalsContact SD-CB 3.58Å; M182-A223 VanDerWaalsContact SD-O 3.4Å; T184-A223 HydrophobicContact CG2-CB 4.46Å; I219-A223 WeakPolarHBondContact O-CB 3.34Å; I219-A223 PolarHBondContact O-N 3.08Å; L220-A223 PolarHBondContact O-N 3.04Å; K221-A223 VanDerWaalsContact C-N 3.34Å; K221-A223 PolarHBondContact O-N 2.86Å; A223-H227 WeakPolarHBondContact O-CB 3.18Å; A223-H227 PolarHBondContact O-N 3.14Å
224I95.2Very high92.7Very high39 Ų3960.2 Ų60.220%0.229%0.29CS..Hα-helixtrans-67-44.6177.2-68.7169.8000110.9M182 L220 K221 E222 N226 H227 Q228 I280M182-I224 HydrophobicContact CE-CG1 4.48Å; M182-I224 HydrophobicContact SD-CG1 3.96Å; L220-I224 HydrophobicContact CD1-CD1 3.83Å; L220-I224 HydrophobicContact CD1-CG1 4.14Å; L220-I224 HydrophobicContact CG-CD1 4.04Å; L220-I224 WeakPolarHBondContact O-CG1 3.38Å; L220-I224 PolarHBondContact O-N 3.23Å; K221-I224 PolarHBondContact O-N 3.01Å; E222-I224 PolarHBondContact O-N 3.39Å; I224-N226 VanDerWaalsContact C-N 3.33Å; I224-N226 PolarHBondContact O-N 2.91Å; I224-H227 WeakPolarHBondContact O-CB 3.37Å; I224-H227 PolarHBondContact O-N 2.98Å; I224-Q228 HydrophobicContact CG2-CG 4.44Å; I224-Q228 WeakPolarHBondContact O-CB 3.3Å; I224-Q228 WeakPolarHBondContact O-CG 3.43Å; I224-Q228 PolarHBondContact O-N 3.15Å; I224-I280 HydrophobicContact CD1-CD1 4.14Å
225E95.9Very high92.1Very high84 Ų8463.6 Ų63.639%0.39330%0.301SS..Hα-helixtrans-60.4-44.2177.9-74175.1-179.400111.1K221 E222 Q228 N229K221-E225 WeakPolarHBondContact CE-OE1 3.36Å; K221-E225 IonicContact NZ-OE1 3.82Å; K221-E225 WeakPolarHBondContact O-CG 3.34Å; K221-E225 PolarHBondContact O-N 2.86Å; E222-E225 PolarHBondContact O-N 3.08Å; E225-Q228 PolarHBondContact O-N 3.03Å; E225-N229 WeakPolarHBondContact O-CB 3.45Å; E225-N229 PolarHBondContact O-N 3.02Å; E225-N229 PolarHBondContact O-ND2 2.92Å
226N92.6Very high91.3Very high89 Ų8963.1 Ų63.148%0.47632%0.319SS..Hα-helixtrans-63.9-45.4175.9-72.4-30.7000111.8E222 I224 Q228 N229 M230E222-N226 VanDerWaalsContact O-CB 3.28Å; E222-N226 WeakPolarHBondContact O-CB 3.45Å; E222-N226 PolarHBondContact O-N 2.65Å; E222-N226 PolarHBondContact O-ND2 3.14Å; E222-N226 VanDerWaalsContact O-ND2 3.11Å; I224-N226 VanDerWaalsContact C-N 3.33Å; I224-N226 PolarHBondContact O-N 2.91Å; N226-Q228 VanDerWaalsContact C-N 3.34Å; N226-Q228 PolarHBondContact O-N 2.98Å; N226-N229 PolarHBondContact O-N 3.28Å; N226-M230 VanDerWaalsContact O-CG 3.23Å; N226-M230 WeakPolarHBondContact O-CG 3.35Å; N226-M230 PolarHBondContact O-N 3.25Å
227H88.5Confident90.6Very high10 Ų1066 Ų665%0.04634%0.337CS..Hα-helixtrans-52.5-51.8172.6-179.887.6000111.9C181 M182 A223 I224 N229 M230 I231 G248 V251C181-H227 PolarHBondContact O-CE1 3.49Å; M182-H227 HydrophobicContact CB-CB 4.4Å; M182-H227 HydrophobicContact CG-CB 4.05Å; M182-H227 HydrophobicContact SD-CB 4.34Å; A223-H227 WeakPolarHBondContact O-CB 3.18Å; A223-H227 PolarHBondContact O-N 3.14Å; I224-H227 WeakPolarHBondContact O-CB 3.37Å; I224-H227 PolarHBondContact O-N 2.98Å; H227-N229 VanDerWaalsContact C-N 3.35Å; H227-N229 PolarHBondContact O-N 2.84Å; H227-M230 HydrophobicContact CB-CE 4.49Å; H227-M230 PolarHBondContact O-N 3.34Å; H227-I231 WeakPolarHBondContact O-CG1 3.47Å; H227-I231 PolarHBondContact O-N 3.31Å; H227-G248 PolarHBondContact NE2-O 3.11Å; H227-V251 HydrophobicContact CB-CG2 4.32Å; H227-V251 VanDerWaalsContact CD2-CG2 3.5Å; H227-V251 WeakPolarHBondContact CD2-CG2 3.4Å
228Q90.2Very high89.7Confident59 Ų5968 Ų6828%0.27636%0.357SS..Hα-helixtrans-63.3-40.5179.9-72.6176.6-17.900112.3I224 E225 N226 M230 I231 K232 M249I224-Q228 HydrophobicContact CG2-CG 4.44Å; I224-Q228 WeakPolarHBondContact O-CB 3.3Å; I224-Q228 WeakPolarHBondContact O-CG 3.43Å; I224-Q228 PolarHBondContact O-N 3.15Å; E225-Q228 PolarHBondContact O-N 3.03Å; N226-Q228 VanDerWaalsContact C-N 3.34Å; N226-Q228 PolarHBondContact O-N 2.98Å; Q228-M230 VanDerWaalsContact C-N 3.32Å; Q228-M230 PolarHBondContact O-N 2.88Å; Q228-I231 PolarHBondContact O-N 3.43Å; Q228-K232 VanDerWaalsContact O-CG 3.26Å; Q228-K232 WeakPolarHBondContact O-CG 3.14Å; Q228-K232 PolarHBondContact O-N 3.25Å; Q228-M249 HydrophobicContact CB-CE 3.8Å; Q228-M249 HydrophobicContact CB-SD 4.4Å; Q228-M249 HydrophobicContact CG-CE 3.95Å; Q228-M249 PolarHBondContact NE2-O 3.37Å; Q228-M249 VanDerWaalsContact NE2-O 3.08Å
229N89Confident88.9Confident71 Ų7167.4 Ų67.438%0.3837%0.367SS..Hα-helixtrans-65.5-36.3178.3-70.8-21.1000112.1E225 N226 H227 K232 Q233E225-N229 WeakPolarHBondContact O-CB 3.45Å; E225-N229 PolarHBondContact O-N 3.02Å; E225-N229 PolarHBondContact O-ND2 2.92Å; N226-N229 PolarHBondContact O-N 3.28Å; H227-N229 VanDerWaalsContact C-N 3.35Å; H227-N229 PolarHBondContact O-N 2.84Å; N229-K232 PolarHBondContact O-N 3.1Å; N229-K232 PolarHBondContact OD1-NZ 2.88Å; N229-Q233 WeakPolarHBondContact O-CG 3.41Å
230M85.6Confident88.1Confident59 Ų5968 Ų6829%0.29137%0.371SS..Hα-helixtrans-66-45.4173.7-66.3178.9-48.700111.6N226 H227 Q228 K232 Q233 F234 I465N226-M230 VanDerWaalsContact O-CG 3.23Å; N226-M230 WeakPolarHBondContact O-CG 3.35Å; N226-M230 PolarHBondContact O-N 3.25Å; H227-M230 HydrophobicContact CB-CE 4.49Å; H227-M230 PolarHBondContact O-N 3.34Å; Q228-M230 VanDerWaalsContact C-N 3.32Å; Q228-M230 PolarHBondContact O-N 2.88Å; M230-K232 VanDerWaalsContact C-N 3.32Å; M230-K232 PolarHBondContact O-N 3.38Å; M230-Q233 WeakPolarHBondContact O-CB 3.34Å; M230-Q233 PolarHBondContact O-N 2.76Å; M230-F234 WeakPolarHBondContact O-CD2 3.33Å; M230-I465 HydrophobicContact CE-CD1 3.54Å; M230-I465 HydrophobicContact CG-CG2 4.07Å; M230-I465 HydrophobicContact SD-CB 4.31Å; M230-I465 HydrophobicContact SD-CD1 3.47Å; M230-I465 WeakPolarHBondContact SD-CD1 3.49Å; M230-I465 HydrophobicContact SD-CG1 4.35Å; M230-I465 HydrophobicContact SD-CG2 3.22Å; M230-I465 WeakPolarHBondContact SD-CG2 3.26Å
231I83.6Confident87.4Confident16 Ų1672.2 Ų72.28%0.08239%0.389CS..Hα-helixtrans-61-41.5176.6-63.7-63.4000111H227 Q228 Q233 F234 F245 M249H227-I231 WeakPolarHBondContact O-CG1 3.47Å; H227-I231 PolarHBondContact O-N 3.31Å; Q228-I231 PolarHBondContact O-N 3.43Å; I231-Q233 PolarHBondContact O-N 2.77Å; I231-Q233 VanDerWaalsContact O-N 3.13Å; I231-F234 WeakPolarHBondContact O-CB 3.33Å; I231-F234 PolarHBondContact O-N 3.05Å; I231-F245 HydrophobicContact CG2-CD2 4.05Å; I231-F245 HydrophobicContact CG2-CE2 4.07Å; I231-F245 WeakPolarHBondContact O-CE2 3.39Å; I231-M249 HydrophobicContact CB-SD 3.98Å; I231-M249 HydrophobicContact CG2-CG 4.19Å; I231-M249 HydrophobicContact CG2-SD 3.74Å
232K87.6Confident87Confident96 Ų9669.4 Ų69.442%0.41739%0.39SS..Hα-helixtrans-55.8-30.6178.4-74.8170.8-160.7164.30113.6Q228 N229 M230 F234 K235 M249Q228-K232 VanDerWaalsContact O-CG 3.26Å; Q228-K232 WeakPolarHBondContact O-CG 3.14Å; Q228-K232 PolarHBondContact O-N 3.25Å; N229-K232 PolarHBondContact O-N 3.1Å; N229-K232 PolarHBondContact OD1-NZ 2.88Å; M230-K232 VanDerWaalsContact C-N 3.32Å; M230-K232 PolarHBondContact O-N 3.38Å; K232-F234 PolarHBondContact O-N 2.8Å; K232-K235 VanDerWaalsContact O-CB 3.27Å; K232-K235 WeakPolarHBondContact O-CB 3.41Å; K232-K235 PolarHBondContact O-N 3.18Å; K232-K235 VanDerWaalsContact O-N 3.09Å; K232-M249 HydrophobicContact CG-CE 4.14Å; K232-M249 HydrophobicContact CG-SD 4.1Å
233Q85.8Confident86.6Confident107 Ų10771.8 Ų71.850%0.540%0.401SS..THydrogen-bonded Turntrans-63.3-19.7177.9-58.5-55-40.100113N229 M230 I231 K235N229-Q233 WeakPolarHBondContact O-CG 3.41Å; M230-Q233 WeakPolarHBondContact O-CB 3.34Å; M230-Q233 PolarHBondContact O-N 2.76Å; I231-Q233 PolarHBondContact O-N 2.77Å; I231-Q233 VanDerWaalsContact O-N 3.13Å; Q233-K235 VanDerWaalsContact C-N 3.32Å
234F81.4Confident86Confident47 Ų4774.2 Ų74.221%0.20641%0.408CS..THydrogen-bonded Turntrans-87.51.4177.9-68.4-76.9000113.8L169 M230 I231 K232 G236 V237 V240L169-F234 HydrophobicContact CB-CE1 4.38Å; L169-F234 HydrophobicContact CD1-CE1 3.44Å; L169-F234 VanDerWaalsContact CD1-CE1 3.44Å; L169-F234 HydrophobicContact CD1-CE2 4.29Å; L169-F234 HydrophobicContact CD1-CZ 3.26Å; L169-F234 HydrophobicContact CD2-CD1 3.88Å; L169-F234 HydrophobicContact CD2-CD2 4.22Å; L169-F234 HydrophobicContact CD2-CE1 3.48Å; L169-F234 VanDerWaalsContact CD2-CE1 3.48Å; L169-F234 HydrophobicContact CD2-CE2 3.82Å; L169-F234 HydrophobicContact CD2-CG 4.25Å; L169-F234 HydrophobicContact CD2-CZ 3.44Å; L169-F234 VanDerWaalsContact CD2-CZ 3.44Å; L169-F234 HydrophobicContact CG-CE1 3.91Å; L169-F234 HydrophobicContact CG-CZ 3.93Å; M230-F234 WeakPolarHBondContact O-CD2 3.33Å; I231-F234 WeakPolarHBondContact O-CB 3.33Å; I231-F234 PolarHBondContact O-N 3.05Å; K232-F234 PolarHBondContact O-N 2.8Å; F234-G236 PolarHBondContact O-N 2.87Å; F234-V237 HydrophobicContact CD1-CG2 4.46Å; F234-V237 PolarHBondContact O-N 2.8Å; F234-V240 HydrophobicContact CB-CG2 4.24Å
235K83.2Confident85.6Confident163 Ų16374.2 Ų74.271%0.70941%0.406SS*.THydrogen-bonded Turntrans-65.6120.8-179.7-169.1176.7-179.1-178.70110.3K232 Q233 V237 F245K232-K235 VanDerWaalsContact O-CB 3.27Å; K232-K235 WeakPolarHBondContact O-CB 3.41Å; K232-K235 PolarHBondContact O-N 3.18Å; K232-K235 VanDerWaalsContact O-N 3.09Å; Q233-K235 VanDerWaalsContact C-N 3.32Å; K235-V237 VanDerWaalsContact C-N 3.3Å; K235-V237 PolarHBondContact O-N 3.09Å; K235-F245 HydrophobicContact CB-CE2 3.74Å; K235-F245 HydrophobicContact CB-CZ 3.78Å; K235-F245 HydrophobicContact CD-CZ 4.29Å; K235-F245 HydrophobicContact CG-CE2 4.39Å; K235-F245 HydrophobicContact CG-CZ 4.08Å
236G80.1Confident85.4Confident77 Ų7776.9 Ų76.979%0.79442%0.419SS*.THydrogen-bonded Turntrans82.11.5178.400000115F234F234-G236 PolarHBondContact O-N 2.87Å
237V83.4Confident85.2Confident61 Ų6175.8 Ų75.837%0.3741%0.411SS..  trans-68.4129.5173.7175.40000109.6F234 K235 G239 V240F234-V237 HydrophobicContact CD1-CG2 4.46Å; F234-V237 PolarHBondContact O-N 2.8Å; K235-V237 VanDerWaalsContact C-N 3.3Å; K235-V237 PolarHBondContact O-N 3.09Å; V237-G239 PolarHBondContact O-N 3.39Å; V237-V240 HydrophobicContact CB-CG2 3.81Å; V237-V240 HydrophobicContact CG1-CG2 4.17Å; V237-V240 WeakPolarHBondContact O-CB 3.48Å; V237-V240 WeakPolarHBondContact O-CG2 3.46Å; V237-V240 PolarHBondContact O-N 3.02Å; V237-V240 VanDerWaalsContact O-N 3.15Å
238P80.4Confident85.1Confident118 Ų11875.3 Ų75.377%0.76641%0.409SS*.THydrogen-bonded Turntrans-54132.6177.3-27.435.2000112.4
239G80.8Confident85.2Confident51 Ų5174.5 Ų74.553%0.52641%0.405SS..THydrogen-bonded Turntrans92.1-11.9-178.400000115.3V237 K241V237-G239 PolarHBondContact O-N 3.39Å; G239-K241 PolarHBondContact O-N 2.89Å
240V79.8Confident85.4Confident36 Ų3674.5 Ų74.522%0.21841%0.408CS..  trans-77.1120.6174.2179.70000110.2I173 F234 V237 F245I173-V240 HydrophobicContact CD1-CB 4.25Å; I173-V240 HydrophobicContact CD1-CG1 4.23Å; I173-V240 HydrophobicContact CD1-CG2 3.76Å; F234-V240 HydrophobicContact CB-CG2 4.24Å; V237-V240 HydrophobicContact CB-CG2 3.81Å; V237-V240 HydrophobicContact CG1-CG2 4.17Å; V237-V240 WeakPolarHBondContact O-CB 3.48Å; V237-V240 WeakPolarHBondContact O-CG2 3.46Å; V237-V240 PolarHBondContact O-N 3.02Å; V237-V240 VanDerWaalsContact O-N 3.15Å; V240-F245 HydrophobicContact CG1-CB 4.1Å; V240-F245 HydrophobicContact CG1-CD2 4.44Å
241K83.2Confident85.6Confident99 Ų9972.3 Ų72.343%0.4340%0.398SS..  trans-76.8130175.8-63.7-179178.1-1790110.2I173 G239 E243 R244 F245I173-K241 HydrophobicContact CG2-CB 4.2Å; I173-K241 HydrophobicContact CG2-CD 4.41Å; I173-K241 HydrophobicContact CG2-CG 4.07Å; G239-K241 PolarHBondContact O-N 2.89Å; K241-E243 VanDerWaalsContact C-N 3.31Å; K241-E243 PolarHBondContact O-N 3.14Å; K241-R244 HydrophobicContact CB-CB 4.17Å; K241-R244 HydrophobicContact CB-CG 4.04Å; K241-R244 HydrophobicContact CD-CG 4.39Å; K241-R244 PolarHBondContact O-N 2.9Å; K241-R244 VanDerWaalsContact O-N 3.14Å; K241-F245 PolarHBondContact O-N 2.71Å
242A88.1Confident85.9Confident69 Ų6975.1 Ų75.157%0.5741%0.41SS*.Hα-helixtrans-54.9-45179.700000112.5R244 F245 E246A242-R244 PolarHBondContact O-N 3.14Å; A242-F245 WeakPolarHBondContact O-CB 3.46Å; A242-F245 PolarHBondContact O-N 3.19Å; A242-E246 WeakPolarHBondContact O-CG 3.2Å; A242-E246 PolarHBondContact O-N 3.5Å
243E88.3Confident85.9Confident146 Ų14672.1 Ų72.168%0.68240%0.397SS*.Hα-helixtrans-58.6-44.7177.9-62.1173.4178.700112.2K241 E246 E247K241-E243 VanDerWaalsContact C-N 3.31Å; K241-E243 PolarHBondContact O-N 3.14Å; E243-E246 PolarHBondContact O-N 2.82Å; E243-E247 WeakPolarHBondContact O-CB 3.41Å; E243-E247 VanDerWaalsContact O-CG 3.3Å; E243-E247 WeakPolarHBondContact O-CG 2.9Å; E243-E247 PolarHBondContact O-N 3.45Å
244R83.5Confident86.2Confident61 Ų6167 Ų6723%0.2337%0.373CS..Hα-helixtrans-68.3-36.1178.8-68.8-62.5-164.2-159.71.4112.6I173 H179 K241 A242 E247 G248I173-R244 HydrophobicContact CG2-CB 4.18Å; I173-R244 HydrophobicContact CG2-CG 4.17Å; H179-R244 PolarHBondContact CD2-O 2.94Å; H179-R244 VanDerWaalsContact CD2-O 3.23Å; H179-R244 PolarHBondContact CE1-NH1 3.05Å; H179-R244 VanDerWaalsContact CE1-NH1 3.34Å; K241-R244 HydrophobicContact CB-CB 4.17Å; K241-R244 HydrophobicContact CB-CG 4.04Å; K241-R244 HydrophobicContact CD-CG 4.39Å; K241-R244 PolarHBondContact O-N 2.9Å; K241-R244 VanDerWaalsContact O-N 3.14Å; A242-R244 PolarHBondContact O-N 3.14Å; R244-E247 WeakPolarHBondContact CD-OE2 3.19Å; R244-E247 IonicContact CZ-OE2 3.14Å; R244-E247 IonicContact NE-OE2 3.63Å; R244-E247 IonicContact NH1-OE2 3.77Å; R244-E247 PolarHBondContact NH1-OE2 3.39Å; R244-G248 PolarHBondContact O-N 2.86Å
245F85.9Confident86.5Confident39 Ų3964.8 Ų64.817%0.17136%0.364CS..Hα-helixtrans-62.6-47.4174.1177.3-87.5000110.7I231 K235 V240 K241 A242 G248 M249I231-F245 HydrophobicContact CG2-CD2 4.05Å; I231-F245 HydrophobicContact CG2-CE2 4.07Å; I231-F245 WeakPolarHBondContact O-CE2 3.39Å; K235-F245 HydrophobicContact CB-CE2 3.74Å; K235-F245 HydrophobicContact CB-CZ 3.78Å; K235-F245 HydrophobicContact CD-CZ 4.29Å; K235-F245 HydrophobicContact CG-CE2 4.39Å; K235-F245 HydrophobicContact CG-CZ 4.08Å; V240-F245 HydrophobicContact CG1-CB 4.1Å; V240-F245 HydrophobicContact CG1-CD2 4.44Å; K241-F245 PolarHBondContact O-N 2.71Å; A242-F245 WeakPolarHBondContact O-CB 3.46Å; A242-F245 PolarHBondContact O-N 3.19Å; F245-G248 PolarHBondContact O-N 2.94Å; F245-M249 HydrophobicContact CE1-CG 4.44Å; F245-M249 WeakPolarHBondContact O-CG 3.29Å; F245-M249 PolarHBondContact O-N 2.85Å
246E91.6Very high87Confident140 Ų14057 Ų5765%0.65433%0.33SS*.Hα-helixtrans-63.6-43.8177.2-70.8178.4-174.400112.3A242 E243 G248 M249A242-E246 WeakPolarHBondContact O-CG 3.2Å; A242-E246 PolarHBondContact O-N 3.5Å; E243-E246 PolarHBondContact O-N 2.82Å; E246-G248 VanDerWaalsContact C-N 3.32Å; E246-G248 PolarHBondContact O-N 3.46Å; E246-M249 PolarHBondContact O-N 3.43Å
247E88.9Confident87.3Confident67 Ų6754.9 Ų54.931%0.31330%0.303SS..Hα-helixtrans-59.2-42.8174.9-75.6176.2167.800112H179 R180 E243 R244 M249 T250H179-E247 IonicContact CE1-OE2 3.53Å; H179-E247 PolarHBondContact CE1-OE2 3.29Å; H179-E247 WeakPolarHBondContact NE2-CB 3.28Å; H179-E247 IonicContact NE2-OE2 2.69Å; H179-E247 PolarHBondContact NE2-OE2 2.93Å; R180-E247 HydrophobicContact CG-CB 4.42Å; R180-E247 PolarHBondContact NE-O 3.01Å; E243-E247 WeakPolarHBondContact O-CB 3.41Å; E243-E247 VanDerWaalsContact O-CG 3.3Å; E243-E247 WeakPolarHBondContact O-CG 2.9Å; E243-E247 PolarHBondContact O-N 3.45Å; R244-E247 WeakPolarHBondContact CD-OE2 3.19Å; R244-E247 IonicContact CZ-OE2 3.14Å; R244-E247 IonicContact NE-OE2 3.63Å; R244-E247 IonicContact NH1-OE2 3.77Å; R244-E247 PolarHBondContact NH1-OE2 3.39Å; E247-M249 VanDerWaalsContact C-N 3.28Å; E247-M249 PolarHBondContact O-N 2.86Å; E247-T250 PolarHBondContact O-N 3Å; E247-T250 VanDerWaalsContact O-N 3.09Å
248G87.3Confident87.4Confident0 Ų056 Ų560%031%0.306CS..Hα-helixtrans-67.8-23.8-176.400000114.4H179 H227 R244 F245 E246 T250H179-G248 VanDerWaalsContact O-CA 3.25Å; H179-G248 WeakPolarHBondContact O-CA 3.34Å; H227-G248 PolarHBondContact NE2-O 3.11Å; R244-G248 PolarHBondContact O-N 2.86Å; F245-G248 PolarHBondContact O-N 2.94Å; E246-G248 VanDerWaalsContact C-N 3.32Å; E246-G248 PolarHBondContact O-N 3.46Å; G248-T250 PolarHBondContact O-N 2.65Å
249M91.6Very high87.7Confident41 Ų4150.9 Ų50.920%0.20227%0.273CS..THydrogen-bonded Turntrans-66.6-19.1172.4-70.1-62.4-62.600113.1Q228 I231 K232 F245 E246 E247Q228-M249 HydrophobicContact CB-CE 3.8Å; Q228-M249 HydrophobicContact CB-SD 4.4Å; Q228-M249 HydrophobicContact CG-CE 3.95Å; Q228-M249 PolarHBondContact NE2-O 3.37Å; Q228-M249 VanDerWaalsContact NE2-O 3.08Å; I231-M249 HydrophobicContact CB-SD 3.98Å; I231-M249 HydrophobicContact CG2-CG 4.19Å; I231-M249 HydrophobicContact CG2-SD 3.74Å; K232-M249 HydrophobicContact CG-CE 4.14Å; K232-M249 HydrophobicContact CG-SD 4.1Å; F245-M249 HydrophobicContact CE1-CG 4.44Å; F245-M249 WeakPolarHBondContact O-CG 3.29Å; F245-M249 PolarHBondContact O-N 2.85Å; E246-M249 PolarHBondContact O-N 3.43Å; E247-M249 VanDerWaalsContact C-N 3.28Å; E247-M249 PolarHBondContact O-N 2.86Å
250T93Very high88.2Confident71 Ų7149.5 Ų49.544%0.43626%0.259SS..SBendtrans-107.5104.6176.8-57.60000110.9R180 E247 G248 K252R180-T250 PolarHBondContact NE-O 3.23Å; E247-T250 PolarHBondContact O-N 3Å; E247-T250 VanDerWaalsContact O-N 3.09Å; G248-T250 PolarHBondContact O-N 2.65Å; T250-K252 PolarHBondContact O-N 3.08Å
251V90.6Very high88.9Confident14 Ų1448 Ų489%0.08525%0.249CC..  trans-61.5132.2175.9-177.10000110.8M182 H227 H253 I280M182-V251 HydrophobicContact CB-CG1 3.64Å; M182-V251 HydrophobicContact CB-CG2 4.13Å; H227-V251 HydrophobicContact CB-CG2 4.32Å; H227-V251 VanDerWaalsContact CD2-CG2 3.5Å; H227-V251 WeakPolarHBondContact CD2-CG2 3.4Å; V251-H253 WeakPolarHBondContact CG1-O 3.42Å; V251-I280 HydrophobicContact CB-CD1 4.28Å; V251-I280 HydrophobicContact CG1-CD1 4.01Å; V251-I280 HydrophobicContact CG1-CG1 4.27Å; V251-I280 HydrophobicContact CG1-CG2 4.01Å
252K88.7Confident89.5Confident74 Ų7443.4 Ų43.432%0.32223%0.23SC..  trans-121.1-24.3173.2-70.9-59.1-177.1-174.10113.9R180 T250 I280 S281R180-K252 HydrophobicContact CB-CB 4.19Å; R180-K252 HydrophobicContact CB-CG 4.37Å; R180-K252 VanDerWaalsContact NE-CG 3.34Å; R180-K252 PolarHBondContact O-N 3.06Å; T250-K252 PolarHBondContact O-N 3.08Å; K252-I280 WeakPolarHBondContact O-CA 3.42Å; K252-S281 PolarHBondContact O-N 2.95Å; K252-S281 PolarHBondContact O-OG 2.79Å
253H87.8Confident89.9Confident33 Ų3340.3 Ų40.315%0.15320%0.203CC..EExtended strand (participates in β ladder)trans-129.6142.6-177.4-50.2-54.9000109.1R180 C181 M182 V251 S281 F283R180-H253 PolarHBondContact O-N 3.43Å; C181-H253 WeakPolarHBondContact CA-O 3.42Å; C181-H253 HydrophobicContact CB-CB 4.07Å; M182-H253 PolarHBondContact N-O 3.12Å; V251-H253 WeakPolarHBondContact CG1-O 3.42Å; H253-S281 CarbonylContact C-O 3.49Å; H253-S281 PolarHBondContact ND1-OG 3.1Å; H253-F283 HydrophobicContact CB-CD2 4.48Å; H253-F283 HydrophobicContact CB-CE2 3.95Å
254C91.6Very high90.2Very high0 Ų034 Ų340%017%0.174CC..EExtended strand (participates in β ladder)trans-123.3115.7173.5-179.50000108.7M182 L275 I280 S281 F283M182-C254 HydrophobicContact CE-CB 4.17Å; M182-C254 CarbonylContact O-C 3.43Å; M182-C254 VanDerWaalsContact O-CA 3.29Å; M182-C254 WeakPolarHBondContact O-CA 3.22Å; C254-L275 HydrophobicContact CB-CD1 3.91Å; C254-L275 HydrophobicContact CB-CD2 3.68Å; C254-L275 HydrophobicContact CB-CG 4.45Å; C254-I280 HydrophobicContact CB-CG2 3.64Å; C254-S281 PolarHBondContact N-O 3.05Å; C254-F283 PolarHBondContact O-N 2.89Å
255A89.4Confident90.9Very high1 Ų131.2 Ų31.21%0.00816%0.163CC..EExtended strand (participates in β ladder)trans-95.8107.1173.500000108.9M182 E183 T184 S257M182-A255 PolarHBondContact O-N 3.16Å; E183-A255 WeakPolarHBondContact CA-O 3.49Å; E183-A255 HydrophobicContact CB-CB 4.45Å; E183-A255 HydrophobicContact CG-CB 4.43Å; T184-A255 PolarHBondContact N-O 3.29Å; T184-A255 VanDerWaalsContact O-O 3.11Å; A255-S257 VanDerWaalsContact C-N 3.26Å; A255-S257 PolarHBondContact O-N 3.33Å; A255-S257 VanDerWaalsContact O-N 3.14Å
256L92.1Very high91.4Very high0 Ų032.9 Ų32.90%018%0.178CC..EExtended strand (participates in β ladder)trans-85.675.5172.2-61.2169000107.8T184 P262 I268 F271 L272 L275 F283 L284 V285T184-L256 HydrophobicContact CG2-CD2 3.84Å; T184-L256 WeakPolarHBondContact O-CA 3.04Å; L256-P262 HydrophobicContact CB-CB 4.09Å; L256-P262 HydrophobicContact CB-CG 4.12Å; L256-P262 WeakPolarHBondContact O-CG 3.38Å; L256-I268 HydrophobicContact CD1-CD1 4.25Å; L256-F271 HydrophobicContact CD1-CD1 4.38Å; L256-F271 HydrophobicContact CD1-CE1 4.29Å; L256-F271 HydrophobicContact CD2-CD1 4.32Å; L256-F271 HydrophobicContact CD2-CE1 3.57Å; L256-F271 HydrophobicContact CD2-CZ 4.39Å; L256-F271 HydrophobicContact CG-CE1 4.5Å; L256-L272 HydrophobicContact CD1-CD2 3.8Å; L256-L275 HydrophobicContact CD1-CD1 4.5Å; L256-F283 PolarHBondContact N-O 3.45Å; L256-L284 HydrophobicContact CB-CG 4.41Å; L256-L284 HydrophobicContact CD1-CB 4.44Å; L256-L284 HydrophobicContact CD1-CD1 4.09Å; L256-L284 HydrophobicContact CD1-CG 4.43Å; L256-V285 PolarHBondContact O-N 3.44Å; L256-V285 VanDerWaalsContact O-N 3.1Å
257S87.9Confident91.7Very high31 Ų3128.5 Ų28.522%0.21716%0.158CC..  trans-150.21.4-170.858.80000115E183 T184 A255E183-S257 PolarHBondContact OE1-OG 3.34Å; T184-S257 PolarHBondContact O-N 3.22Å; A255-S257 VanDerWaalsContact C-N 3.26Å; A255-S257 PolarHBondContact O-N 3.33Å; A255-S257 VanDerWaalsContact O-N 3.14Å
258L84.9Confident92.1Very high84 Ų8425.9 Ų25.944%0.4415%0.146SC..SBendtrans-60.9-57.1-170.4-176.759.8000112.2E183 T184 T185E183-L258 HydrophobicContact CG-CB 3.92Å; E183-L258 HydrophobicContact CG-CD1 4.06Å; T184-L258 PolarHBondContact O-N 3.48Å; T185-L258 HydrophobicContact CG2-CB 4.29Å
259V86.1Confident92.7Very high12 Ų1227.8 Ų27.87%0.07316%0.156CC..SBendtrans-163.7156.9-175.362.90000109.9T185 S187 L188 W199 N203T185-V259 WeakPolarHBondContact CB-O 3.24Å; T185-V259 HydrophobicContact CG2-CG1 3.64Å; T185-V259 WeakPolarHBondContact CG2-O 3.09Å; T185-V259 PolarHBondContact OG1-O 2.7Å; S187-V259 VanDerWaalsContact O-O 3.1Å; L188-V259 HydrophobicContact CD2-CG1 3.37Å; W199-V259 HydrophobicContact CB-CG2 4.04Å; W199-V259 HydrophobicContact CD2-CG2 4.14Å; W199-V259 HydrophobicContact CG-CG2 3.57Å; N203-V259 WeakPolarHBondContact ND2-CG2 2.96Å
260G91.3Very high93Very high22 Ų2230.5 Ų30.523%0.22716%0.164CC..SBendtrans73.7-156.1-179.700000112.9S187 L188 A189S187-G260 WeakPolarHBondContact O-CA 3.3Å; L188-G260 WeakPolarHBondContact O-CA 3.48Å; A189-G260 CarbonylContact O-C 3.23Å
261E95.1Very high93.2Very high4 Ų427.1 Ų27.12%0.01914%0.143CC..  trans-124.497-179.1-18052.3-122.300109.9S187 A189 I263 M264 T286 N287 F290S187-E261 WeakPolarHBondContact CB-O 2.99Å; S187-E261 PolarHBondContact O-N 3.35Å; S187-E261 PolarHBondContact OG-O 3.47Å; A189-E261 WeakPolarHBondContact O-CB 2.96Å; A189-E261 PolarHBondContact O-N 3Å; E261-I263 VanDerWaalsContact C-N 3.26Å; E261-I263 HydrophobicContact CG-CG2 4.06Å; E261-I263 PolarHBondContact O-N 3.38Å; E261-I263 WeakPolarHBondContact OE1-CG2 3.47Å; E261-I263 PolarHBondContact OE1-N 2.92Å; E261-M264 HydrophobicContact CB-CB 4.4Å; E261-M264 HydrophobicContact CB-CE 4.48Å; E261-M264 HydrophobicContact CG-CB 4.26Å; E261-M264 VanDerWaalsContact O-CB 3.24Å; E261-M264 WeakPolarHBondContact O-CB 3.34Å; E261-M264 PolarHBondContact O-N 2.94Å; E261-M264 VanDerWaalsContact O-N 3.13Å; E261-T286 VanDerWaalsContact CD-OG1 3.26Å; E261-T286 WeakPolarHBondContact OE1-CA 3.48Å; E261-T286 WeakPolarHBondContact OE1-CB 3.49Å; E261-T286 PolarHBondContact OE1-OG1 3.37Å; E261-T286 PolarHBondContact OE2-OG1 3.24Å; E261-N287 WeakPolarHBondContact OE2-CB 3.31Å; E261-N287 PolarHBondContact OE2-N 3.49Å; E261-N287 PolarHBondContact OE2-ND2 3.37Å; E261-N287 VanDerWaalsContact OE2-ND2 3.1Å; E261-N287 PolarHBondContact OE2-OD1 2.88Å; E261-F290 HydrophobicContact CG-CD2 3.83Å; E261-F290 HydrophobicContact CG-CE2 3.75Å
262P95.8Very high93.6Very high3 Ų326.5 Ų26.52%0.01914%0.14CC..G310 helixtrans-57.5-35-175-26.433.7000114P186 L256 M264 Y265 L284P186-P262 HydrophobicContact CG-CB 4.32Å; L256-P262 HydrophobicContact CB-CB 4.09Å; L256-P262 HydrophobicContact CB-CG 4.12Å; L256-P262 WeakPolarHBondContact O-CG 3.38Å; P262-M264 PolarHBondContact O-N 3.22Å; P262-Y265 WeakPolarHBondContact O-CB 3.31Å; P262-Y265 PolarHBondContact O-N 3.36Å; P262-Y265 VanDerWaalsContact O-N 3.15Å; P262-L284 HydrophobicContact CB-CG 4.46Å
263I96Very high94.1Very high4 Ų427.3 Ų27.32%0.02114%0.143CC..G310 helixtrans-69.1-16.2-176.6-143.8179.3000112.8E261 Y265 L284 F290 E293 I294 L297E261-I263 VanDerWaalsContact C-N 3.26Å; E261-I263 HydrophobicContact CG-CG2 4.06Å; E261-I263 PolarHBondContact O-N 3.38Å; E261-I263 WeakPolarHBondContact OE1-CG2 3.47Å; E261-I263 PolarHBondContact OE1-N 2.92Å; I263-Y265 VanDerWaalsContact C-N 3.26Å; I263-Y265 PolarHBondContact O-N 3.37Å; I263-L284 HydrophobicContact CB-CD2 4.48Å; I263-F290 HydrophobicContact CG2-CB 3.7Å; I263-F290 HydrophobicContact CG2-CD2 4.05Å; I263-F290 HydrophobicContact CG2-CG 4.04Å; I263-E293 HydrophobicContact CD1-CB 3.83Å; I263-E293 HydrophobicContact CG1-CB 3.92Å; I263-E293 HydrophobicContact CG2-CB 4.22Å; I263-I294 HydrophobicContact CD1-CB 4.34Å; I263-I294 HydrophobicContact CD1-CG1 3.61Å; I263-L297 HydrophobicContact CD1-CD1 4.33Å; I263-L297 HydrophobicContact CD1-CD2 4.3Å; I263-L297 HydrophobicContact CG1-CD1 4.06Å
264M95.3Very high94.6Very high13 Ų1327 Ų276%0.06414%0.142CC..G310 helixtrans-72.4-19175.6-168-172.7-76.800112.6A189 A191 G206 W209 W211 E261 P262 P266 F290A189-M264 HydrophobicContact CB-SD 3.75Å; A191-M264 HydrophobicContact CB-CE 4.44Å; G206-M264 WeakPolarHBondContact O-CE 3.26Å; W209-M264 HydrophobicContact CE3-CG 4.35Å; W211-M264 HydrophobicContact CH2-SD 4.47Å; W211-M264 HydrophobicContact CZ3-SD 3.92Å; E261-M264 HydrophobicContact CB-CB 4.4Å; E261-M264 HydrophobicContact CB-CE 4.48Å; E261-M264 HydrophobicContact CG-CB 4.26Å; E261-M264 VanDerWaalsContact O-CB 3.24Å; E261-M264 WeakPolarHBondContact O-CB 3.34Å; E261-M264 PolarHBondContact O-N 2.94Å; E261-M264 VanDerWaalsContact O-N 3.13Å; P262-M264 PolarHBondContact O-N 3.22Å; M264-P266 WeakPolarHBondContact O-CD 3.43Å; M264-F290 HydrophobicContact CE-CE1 4.27Å; M264-F290 HydrophobicContact CE-CE2 3.83Å; M264-F290 HydrophobicContact CE-CZ 3.35Å
265Y97.1Very high94.8Very high2 Ų227 Ų271%0.00814%0.142CC..SBendtrans-65.6120.5179.3177.9-115.2000110.6P186 W209 M213 D214 P216 I219 P262 I263 E267 I268 F271P186-Y265 HydrophobicContact CB-CD1 3.85Å; P186-Y265 HydrophobicContact CB-CD2 4.18Å; P186-Y265 HydrophobicContact CB-CE1 4.4Å; P186-Y265 HydrophobicContact CB-CG 3.75Å; P186-Y265 HydrophobicContact CG-CD1 4.22Å; P186-Y265 HydrophobicContact CG-CG 4.13Å; W209-Y265 AromaticContact CH2-CD2 3.68Å; W209-Y265 HydrophobicContact CH2-CD2 3.68Å; W209-Y265 HydrophobicContact CH2-CE2 4.37Å; W209-Y265 HydrophobicContact CZ2-CD2 4.27Å; W209-Y265 AromaticContact CZ3-CD2 4Å; W209-Y265 HydrophobicContact CZ3-CD2 4Å; M213-Y265 HydrophobicContact CG-CD2 4.33Å; M213-Y265 HydrophobicContact CG-CE2 3.58Å; M213-Y265 HydrophobicContact SD-CE2 4.12Å; D214-Y265 PolarHBondContact O-OH 2.96Å; P216-Y265 HydrophobicContact CB-CE1 4.29Å; P216-Y265 WeakPolarHBondContact CD-OH 3.42Å; I219-Y265 HydrophobicContact CD1-CE1 4.43Å; I219-Y265 HydrophobicContact CD1-CE2 3.88Å; P262-Y265 WeakPolarHBondContact O-CB 3.31Å; P262-Y265 PolarHBondContact O-N 3.36Å; P262-Y265 VanDerWaalsContact O-N 3.15Å; I263-Y265 VanDerWaalsContact C-N 3.26Å; I263-Y265 PolarHBondContact O-N 3.37Å; Y265-E267 VanDerWaalsContact CD1-C 3.49Å; Y265-E267 HydrophobicContact CD1-CB 4.34Å; Y265-E267 VanDerWaalsContact CE1-C 3.46Å; Y265-E267 HydrophobicContact CE1-CB 3.6Å; Y265-E267 PolarHBondContact O-N 2.85Å; Y265-E267 VanDerWaalsContact O-N 3.1Å; Y265-I268 HydrophobicContact CD1-CB 4.31Å; Y265-I268 VanDerWaalsContact O-CB 3.3Å; Y265-I268 WeakPolarHBondContact O-CB 3.35Å; Y265-I268 WeakPolarHBondContact O-CG2 3.27Å; Y265-I268 PolarHBondContact O-N 3.38Å; Y265-F271 HydrophobicContact CE1-CB 4.32Å
266P97Very high95.1Very high75 Ų7530.4 Ų30.449%0.48716%0.158SC..THydrogen-bonded Turntrans-59.5-30.2-170.7-27.734.7000114.7W209 M213 M264W209-P266 HydrophobicContact CB-CG 3.86Å; W209-P266 HydrophobicContact CD2-CG 3.72Å; W209-P266 HydrophobicContact CE3-CG 4.28Å; W209-P266 HydrophobicContact CG-CG 3.49Å; W209-P266 VanDerWaalsContact CG-CG 3.49Å; M213-P266 HydrophobicContact SD-CB 3.81Å; M213-P266 HydrophobicContact SD-CG 3.79Å; M264-P266 WeakPolarHBondContact O-CD 3.43Å
267E97.8Very high95.4Very high47 Ų4737.2 Ų37.222%0.2219%0.19CC..THydrogen-bonded Turntrans-102.226.9179.2-65.2-165.6-163.400113.2M213 P216 Y265 N269 R270 F271M213-E267 HydrophobicContact CE-CG 3.92Å; M213-E267 VanDerWaalsContact CE-OE1 3.28Å; M213-E267 WeakPolarHBondContact CE-OE1 3.45Å; M213-E267 HydrophobicContact SD-CG 4.27Å; P216-E267 VanDerWaalsContact CD-OE2 3.23Å; P216-E267 WeakPolarHBondContact CD-OE2 3.29Å; P216-E267 HydrophobicContact CG-CB 4.36Å; P216-E267 WeakPolarHBondContact CG-OE2 3.28Å; Y265-E267 VanDerWaalsContact CD1-C 3.49Å; Y265-E267 HydrophobicContact CD1-CB 4.34Å; Y265-E267 VanDerWaalsContact CE1-C 3.46Å; Y265-E267 HydrophobicContact CE1-CB 3.6Å; Y265-E267 PolarHBondContact O-N 2.85Å; Y265-E267 VanDerWaalsContact O-N 3.1Å; E267-N269 VanDerWaalsContact C-N 3.29Å; E267-N269 PolarHBondContact O-N 3.3Å; E267-R270 HydrophobicContact CB-CB 4.33Å; E267-R270 WeakPolarHBondContact O-CB 3.26Å; E267-R270 PolarHBondContact O-N 2.79Å; E267-R270 IonicContact OE1-NH1 3.99Å; E267-R270 VanDerWaalsContact OE2-CD 3.31Å; E267-R270 WeakPolarHBondContact OE2-CD 3.3Å; E267-R270 IonicContact OE2-CZ 2.79Å; E267-R270 IonicContact OE2-NE 3.28Å; E267-R270 IonicContact OE2-NH1 3.77Å; E267-R270 PolarHBondContact OE2-NH1 3.17Å; E267-F271 PolarHBondContact O-N 2.97Å
268I98.3Very high95.8Very high13 Ų1339.2 Ų39.27%0.06720%0.203CC..Hα-helixtrans-54.5-41.6-177.2-171.760000113.1P186 L256 Y265 R270 F271 L272 L284 L297P186-I268 HydrophobicContact CG-CD1 4.04Å; L256-I268 HydrophobicContact CD1-CD1 4.25Å; Y265-I268 HydrophobicContact CD1-CB 4.31Å; Y265-I268 VanDerWaalsContact O-CB 3.3Å; Y265-I268 WeakPolarHBondContact O-CB 3.35Å; Y265-I268 WeakPolarHBondContact O-CG2 3.27Å; Y265-I268 PolarHBondContact O-N 3.38Å; I268-R270 VanDerWaalsContact C-N 3.33Å; I268-R270 PolarHBondContact O-N 3.39Å; I268-F271 WeakPolarHBondContact O-CB 2.7Å; I268-F271 PolarHBondContact O-N 3.48Å; I268-L272 HydrophobicContact CD1-CG 4.47Å; I268-L272 HydrophobicContact CG1-CD1 4.19Å; I268-L272 HydrophobicContact CG1-CG 4.42Å; I268-L272 WeakPolarHBondContact O-CB 3.02Å; I268-L272 VanDerWaalsContact O-CG 3.25Å; I268-L272 WeakPolarHBondContact O-CG 3.38Å; I268-L272 PolarHBondContact O-N 3.47Å; I268-L284 HydrophobicContact CD1-CD1 4.04Å; I268-L284 HydrophobicContact CG1-CD1 3.98Å; I268-L297 HydrophobicContact CG1-CD1 4.13Å; I268-L297 HydrophobicContact CG2-CD1 4.05Å
269N98.5Very high96.3Very high39 Ų3943.5 Ų43.521%0.20922%0.218CC..Hα-helixtrans-64.9-35.5177.6-75.5-22.7000112.6E267 K273 N296 E298E267-N269 VanDerWaalsContact C-N 3.29Å; E267-N269 PolarHBondContact O-N 3.3Å; N269-K273 WeakPolarHBondContact O-CG 3.5Å; N269-K273 PolarHBondContact O-N 3.23Å; N269-K273 VanDerWaalsContact O-N 3.08Å; N269-N296 PolarHBondContact ND2-O 3.47Å; N269-E298 HydrophobicContact CB-CB 4.42Å; N269-E298 HydrophobicContact CB-CG 4.17Å; N269-E298 PolarHBondContact OD1-N 3.48Å
270R98.4Very high96.6Very high98 Ų9843.2 Ų43.237%0.3722%0.216SC..Hα-helixtrans-69.7-42.3175.1-176.7173.9167.5-161.86.3110.6P216 E217 E267 I268 L272 K273 L274P216-R270 HydrophobicContact CG-CB 4.19Å; P216-R270 HydrophobicContact CG-CG 3.73Å; E217-R270 IonicContact OE1-CZ 3.98Å; E217-R270 IonicContact OE1-NE 3.68Å; E217-R270 PolarHBondContact OE1-NE 3.47Å; E217-R270 IonicContact OE1-NH2 3.37Å; E217-R270 PolarHBondContact OE1-NH2 3.29Å; E217-R270 IonicContact OE2-CZ 2.83Å; E217-R270 IonicContact OE2-NE 2.98Å; E217-R270 IonicContact OE2-NH2 3.05Å; E217-R270 PolarHBondContact OE2-NH2 3.13Å; E217-R270 VanDerWaalsContact OE2-NH2 3.1Å; E267-R270 HydrophobicContact CB-CB 4.33Å; E267-R270 WeakPolarHBondContact O-CB 3.26Å; E267-R270 PolarHBondContact O-N 2.79Å; E267-R270 IonicContact OE1-NH1 3.99Å; E267-R270 VanDerWaalsContact OE2-CD 3.31Å; E267-R270 WeakPolarHBondContact OE2-CD 3.3Å; E267-R270 IonicContact OE2-CZ 2.79Å; E267-R270 IonicContact OE2-NE 3.28Å; E267-R270 IonicContact OE2-NH1 3.77Å; E267-R270 PolarHBondContact OE2-NH1 3.17Å; I268-R270 VanDerWaalsContact C-N 3.33Å; I268-R270 PolarHBondContact O-N 3.39Å; R270-L272 VanDerWaalsContact C-N 3.35Å; R270-L272 PolarHBondContact O-N 3.36Å; R270-K273 WeakPolarHBondContact O-CB 3.39Å; R270-K273 PolarHBondContact O-N 3.32Å; R270-L274 WeakPolarHBondContact O-CG 3.21Å; R270-L274 PolarHBondContact O-N 3.47Å
271F98.4Very high96.4Very high0 Ų043.2 Ų43.20%021%0.213CC..Hα-helixtrans-58.6-44.8174.4-173.5-97.8000112.3P216 I219 L220 L256 Y265 E267 I268 K273 L274 L275P216-F271 HydrophobicContact CB-CB 3.89Å; P216-F271 HydrophobicContact CB-CD2 3.92Å; P216-F271 HydrophobicContact CB-CG 4.43Å; I219-F271 HydrophobicContact CB-CD2 4.43Å; I219-F271 HydrophobicContact CB-CE2 4Å; I219-F271 HydrophobicContact CG2-CD2 4.35Å; I219-F271 HydrophobicContact CG2-CE2 3.63Å; I219-F271 HydrophobicContact CG2-CZ 4.23Å; L220-F271 HydrophobicContact CB-CE2 3.87Å; L256-F271 HydrophobicContact CD1-CD1 4.38Å; L256-F271 HydrophobicContact CD1-CE1 4.29Å; L256-F271 HydrophobicContact CD2-CD1 4.32Å; L256-F271 HydrophobicContact CD2-CE1 3.57Å; L256-F271 HydrophobicContact CD2-CZ 4.39Å; L256-F271 HydrophobicContact CG-CE1 4.5Å; Y265-F271 HydrophobicContact CE1-CB 4.32Å; E267-F271 PolarHBondContact O-N 2.97Å; I268-F271 WeakPolarHBondContact O-CB 2.7Å; I268-F271 PolarHBondContact O-N 3.48Å; F271-K273 PolarHBondContact O-N 3.48Å; F271-L274 PolarHBondContact O-N 2.93Å; F271-L275 HydrophobicContact CD1-CD1 3.98Å; F271-L275 HydrophobicContact CD1-CG 4.44Å; F271-L275 HydrophobicContact CE1-CD1 3.65Å; F271-L275 HydrophobicContact CE1-CG 4.11Å; F271-L275 HydrophobicContact CZ-CD1 4.49Å; F271-L275 PolarHBondContact O-N 3.47Å; F271-L275 VanDerWaalsContact O-N 3.09Å
272L98Very high96.1Very high2 Ų243 Ų431%0.0121%0.212CC..Hα-helixtrans-61.5-41.9175.9-70.6171.3000112.7L256 I268 R270 L274 L275 H276 L284 L297 V300L256-L272 HydrophobicContact CD1-CD2 3.8Å; I268-L272 HydrophobicContact CD1-CG 4.47Å; I268-L272 HydrophobicContact CG1-CD1 4.19Å; I268-L272 HydrophobicContact CG1-CG 4.42Å; I268-L272 WeakPolarHBondContact O-CB 3.02Å; I268-L272 VanDerWaalsContact O-CG 3.25Å; I268-L272 WeakPolarHBondContact O-CG 3.38Å; I268-L272 PolarHBondContact O-N 3.47Å; R270-L272 VanDerWaalsContact C-N 3.35Å; R270-L272 PolarHBondContact O-N 3.36Å; L272-L274 VanDerWaalsContact C-N 3.34Å; L272-L274 PolarHBondContact O-N 2.88Å; L272-L275 HydrophobicContact CD2-CD1 4.34Å; L272-L275 WeakPolarHBondContact O-CB 3.32Å; L272-L275 PolarHBondContact O-N 3.1Å; L272-H276 PolarHBondContact O-N 3.06Å; L272-H276 VanDerWaalsContact O-N 3.1Å; L272-L284 HydrophobicContact CD1-CD1 4.47Å; L272-L297 HydrophobicContact CD1-CD1 3.74Å; L272-L297 HydrophobicContact CD1-CG 4.27Å; L272-V300 HydrophobicContact CD1-CG1 3.43Å; L272-V300 VanDerWaalsContact CD1-CG1 3.43Å; L272-V300 HydrophobicContact CD2-CG1 3.61Å; L272-V300 HydrophobicContact CG-CG1 4.11Å
273K98.4Very high95.9Very high91 Ų9143.7 Ų43.740%0.39621%0.214SC..Hα-helixtrans-59.6-43.9174.1-74.8173.5-171.91720112.1N269 R270 F271 H276 Q277 E298N269-K273 WeakPolarHBondContact O-CG 3.5Å; N269-K273 PolarHBondContact O-N 3.23Å; N269-K273 VanDerWaalsContact O-N 3.08Å; R270-K273 WeakPolarHBondContact O-CB 3.39Å; R270-K273 PolarHBondContact O-N 3.32Å; F271-K273 PolarHBondContact O-N 3.48Å; K273-H276 PolarHBondContact O-N 3.08Å; K273-Q277 WeakPolarHBondContact O-CB 3.27Å; K273-Q277 VanDerWaalsContact O-CG 3.26Å; K273-Q277 WeakPolarHBondContact O-CG 3.4Å; K273-Q277 PolarHBondContact O-N 3.22Å; K273-E298 WeakPolarHBondContact CE-OE1 3.36Å; K273-E298 WeakPolarHBondContact CE-OE2 3.45Å; K273-E298 IonicContact NZ-OE1 2.73Å; K273-E298 PolarHBondContact NZ-OE1 3.16Å; K273-E298 IonicContact NZ-OE2 2.89Å; K273-E298 PolarHBondContact NZ-OE2 3.4Å
274L98.4Very high95.8Very high26 Ų2643.5 Ų43.514%0.13621%0.213CC..Hα-helixtrans-61.3-44.8178.6-68.2170000111.1P216 E217 L220 R270 F271 L272 H276 Q277 C278P216-L274 HydrophobicContact CB-CD1 3.89Å; P216-L274 HydrophobicContact CG-CD1 4.16Å; E217-L274 HydrophobicContact CB-CD1 4.43Å; E217-L274 HydrophobicContact CG-CD1 3.82Å; E217-L274 HydrophobicContact CG-CD2 4.24Å; L220-L274 HydrophobicContact CD2-CB 3.69Å; R270-L274 WeakPolarHBondContact O-CG 3.21Å; R270-L274 PolarHBondContact O-N 3.47Å; F271-L274 PolarHBondContact O-N 2.93Å; L272-L274 VanDerWaalsContact C-N 3.34Å; L272-L274 PolarHBondContact O-N 2.88Å; L274-H276 VanDerWaalsContact C-N 3.32Å; L274-H276 PolarHBondContact O-N 3.48Å; L274-Q277 PolarHBondContact O-N 3.03Å; L274-C278 PolarHBondContact O-N 3.09Å; L274-C278 PolarHBondContact O-SG 3.24Å; L274-C278 VanDerWaalsContact O-SG 3.39Å
275L96.7Very high95.8Very high0 Ų043.7 Ų43.70%022%0.215CC..Hα-helixtrans-54.7-49174-73.2171.7000111.5M182 L220 C254 L256 F271 L272 C278 K279 I280M182-L275 HydrophobicContact CE-CD2 4.36Å; L220-L275 HydrophobicContact CD1-CD2 3.48Å; L220-L275 VanDerWaalsContact CD1-CD2 3.48Å; L220-L275 HydrophobicContact CD1-CG 4.38Å; C254-L275 HydrophobicContact CB-CD1 3.91Å; C254-L275 HydrophobicContact CB-CD2 3.68Å; C254-L275 HydrophobicContact CB-CG 4.45Å; L256-L275 HydrophobicContact CD1-CD1 4.5Å; F271-L275 HydrophobicContact CD1-CD1 3.98Å; F271-L275 HydrophobicContact CD1-CG 4.44Å; F271-L275 HydrophobicContact CE1-CD1 3.65Å; F271-L275 HydrophobicContact CE1-CG 4.11Å; F271-L275 HydrophobicContact CZ-CD1 4.49Å; F271-L275 PolarHBondContact O-N 3.47Å; F271-L275 VanDerWaalsContact O-N 3.09Å; L272-L275 HydrophobicContact CD2-CD1 4.34Å; L272-L275 WeakPolarHBondContact O-CB 3.32Å; L272-L275 PolarHBondContact O-N 3.1Å; L275-C278 CarbonylContact O-C 3.58Å; L275-C278 WeakPolarHBondContact O-CB 3.49Å; L275-C278 PolarHBondContact O-N 3.25Å; L275-K279 PolarHBondContact O-N 3.47Å; L275-I280 CarbonylContact C-O 3.55Å; L275-I280 HydrophobicContact CB-CB 4.42Å; L275-I280 HydrophobicContact CD2-CB 4.2Å; L275-I280 HydrophobicContact CD2-CD1 4.26Å; L275-I280 HydrophobicContact CD2-CG2 3.96Å; L275-I280 WeakPolarHBondContact O-CB 3.44Å; L275-I280 PolarHBondContact O-N 2.84Å
276H96Very high95.8Very high72 Ų7243.7 Ų43.733%0.33322%0.215SC..Hα-helixtrans-69.4-35.1-177.6-65.4174.3000113L272 K273 L274 C278 K279 I280 S282 P299L272-H276 PolarHBondContact O-N 3.06Å; L272-H276 VanDerWaalsContact O-N 3.1Å; K273-H276 PolarHBondContact O-N 3.08Å; L274-H276 VanDerWaalsContact C-N 3.32Å; L274-H276 PolarHBondContact O-N 3.48Å; H276-C278 VanDerWaalsContact C-N 3.26Å; H276-C278 PolarHBondContact O-N 3.26Å; H276-K279 WeakPolarHBondContact O-CA 3.47Å; H276-K279 PolarHBondContact O-N 3.37Å; H276-I280 PolarHBondContact CD2-O 3.33Å; H276-S282 PolarHBondContact NE2-OG 3.45Å; H276-P299 PolarHBondContact CE1-O 3.25Å; H276-P299 VanDerWaalsContact CE1-O 3.25Å
277Q97.9Very high95.7Very high143 Ų14340.6 Ų40.667%0.66820%0.195SC*.Hα-helixtrans-61.2-37.2171.5-74.6171.8-4.800111.6K273 L274 K279K273-Q277 WeakPolarHBondContact O-CB 3.27Å; K273-Q277 VanDerWaalsContact O-CG 3.26Å; K273-Q277 WeakPolarHBondContact O-CG 3.4Å; K273-Q277 PolarHBondContact O-N 3.22Å; L274-Q277 PolarHBondContact O-N 3.03Å; Q277-K279 PolarHBondContact O-N 2.9Å
278C96.2Very high95.6Very high73 Ų7338.4 Ų38.449%0.49318%0.184SC..THydrogen-bonded Turntrans-75.73.9171.9-65.30000113.8L274 L275 H276 I280L274-C278 PolarHBondContact O-N 3.09Å; L274-C278 PolarHBondContact O-SG 3.24Å; L274-C278 VanDerWaalsContact O-SG 3.39Å; L275-C278 CarbonylContact O-C 3.58Å; L275-C278 WeakPolarHBondContact O-CB 3.49Å; L275-C278 PolarHBondContact O-N 3.25Å; H276-C278 VanDerWaalsContact C-N 3.26Å; H276-C278 PolarHBondContact O-N 3.26Å; C278-I280 HydrophobicContact CB-CD1 3.88Å; C278-I280 HydrophobicContact CB-CG1 4.05Å; C278-I280 PolarHBondContact O-N 2.91Å
279K95Very high95.6Very high174 Ų17437.8 Ų37.876%0.75718%0.181SC*.THydrogen-bonded Turntrans58.733.3-175.4-54.2177.3179.5176.10113.1L275 H276 Q277L275-K279 PolarHBondContact O-N 3.47Å; H276-K279 WeakPolarHBondContact O-CA 3.47Å; H276-K279 PolarHBondContact O-N 3.37Å; Q277-K279 PolarHBondContact O-N 2.9Å
280I92.2Very high95.6Very high6 Ų636.2 Ų36.23%0.03117%0.173CC..  trans-100.6121.2174.4-59.2170.2000107.7I224 V251 K252 C254 L275 H276 C278I224-I280 HydrophobicContact CD1-CD1 4.14Å; V251-I280 HydrophobicContact CB-CD1 4.28Å; V251-I280 HydrophobicContact CG1-CD1 4.01Å; V251-I280 HydrophobicContact CG1-CG1 4.27Å; V251-I280 HydrophobicContact CG1-CG2 4.01Å; K252-I280 WeakPolarHBondContact O-CA 3.42Å; C254-I280 HydrophobicContact CB-CG2 3.64Å; L275-I280 CarbonylContact C-O 3.55Å; L275-I280 HydrophobicContact CB-CB 4.42Å; L275-I280 HydrophobicContact CD2-CB 4.2Å; L275-I280 HydrophobicContact CD2-CD1 4.26Å; L275-I280 HydrophobicContact CD2-CG2 3.96Å; L275-I280 WeakPolarHBondContact O-CB 3.44Å; L275-I280 PolarHBondContact O-N 2.84Å; H276-I280 PolarHBondContact CD2-O 3.33Å; C278-I280 HydrophobicContact CB-CD1 3.88Å; C278-I280 HydrophobicContact CB-CG1 4.05Å; C278-I280 PolarHBondContact O-N 2.91Å
281S88.1Confident95.6Very high23 Ų2332.2 Ų32.216%0.16116%0.16CC..EExtended strand (participates in β ladder)trans-72145175.562.70000111.2K252 H253 C254 F283 T301K252-S281 PolarHBondContact O-N 2.95Å; K252-S281 PolarHBondContact O-OG 2.79Å; H253-S281 CarbonylContact C-O 3.49Å; H253-S281 PolarHBondContact ND1-OG 3.1Å; C254-S281 PolarHBondContact N-O 3.05Å; S281-F283 WeakPolarHBondContact OG-CE2 3.49Å; S281-T301 WeakPolarHBondContact CA-OG1 3.37Å; S281-T301 WeakPolarHBondContact CB-OG1 3.25Å
282S88.4Confident95.5Very high0 Ų034.1 Ų34.10%018%0.175CC..EExtended strand (participates in β ladder)trans-110.2133-177.660.10000113.2H276 V300 T301 Q302H276-S282 PolarHBondContact NE2-OG 3.45Å; S282-V300 WeakPolarHBondContact OG-CA 3.34Å; S282-V300 WeakPolarHBondContact OG-CB 3.38Å; S282-T301 PolarHBondContact N-OG1 3.09Å; S282-T301 CarbonylContact O-C 3.57Å; S282-T301 WeakPolarHBondContact O-CA 3.44Å; S282-T301 WeakPolarHBondContact O-CB 3.19Å; S282-T301 PolarHBondContact O-N 3.35Å; S282-T301 PolarHBondContact OG-N 2.92Å; S282-Q302 PolarHBondContact O-N 2.95Å
283F91.5Very high95.5Very high16 Ų1637.6 Ų37.67%0.0719%0.191CC..EExtended strand (participates in β ladder)trans-120.2108.4173.4-60-100.7000107.3H253 C254 L256 S281 Q302 Y304H253-F283 HydrophobicContact CB-CD2 4.48Å; H253-F283 HydrophobicContact CB-CE2 3.95Å; C254-F283 PolarHBondContact O-N 2.89Å; L256-F283 PolarHBondContact N-O 3.45Å; S281-F283 WeakPolarHBondContact OG-CE2 3.49Å; F283-Q302 WeakPolarHBondContact CA-O 3.26Å; F283-Q302 HydrophobicContact CD1-CB 3.59Å; F283-Q302 HydrophobicContact CD1-CG 4.32Å; F283-Q302 HydrophobicContact CE1-CB 4.02Å; F283-Q302 HydrophobicContact CG-CB 4.41Å; F283-Y304 HydrophobicContact CB-CE2 4.16Å; F283-Y304 HydrophobicContact CD1-CE2 4.01Å
284L95Very high95.5Very high0 Ų033.2 Ų33.20%017%0.172CC..EExtended strand (participates in β ladder)trans-107.1127.9-176.9-172151.5000109.9L256 P262 I263 I268 L272 L297 V300 Q302 L303 Y304L256-L284 HydrophobicContact CB-CG 4.41Å; L256-L284 HydrophobicContact CD1-CB 4.44Å; L256-L284 HydrophobicContact CD1-CD1 4.09Å; L256-L284 HydrophobicContact CD1-CG 4.43Å; P262-L284 HydrophobicContact CB-CG 4.46Å; I263-L284 HydrophobicContact CB-CD2 4.48Å; I268-L284 HydrophobicContact CD1-CD1 4.04Å; I268-L284 HydrophobicContact CG1-CD1 3.98Å; L272-L284 HydrophobicContact CD1-CD1 4.47Å; L284-L297 HydrophobicContact CD1-CD1 4.22Å; L284-L297 HydrophobicContact CD1-CD2 4.27Å; L284-L297 HydrophobicContact CD2-CD2 4.41Å; L284-V300 HydrophobicContact CB-CG1 4.39Å; L284-Q302 PolarHBondContact N-O 3.39Å; L284-L303 HydrophobicContact CB-CD1 4.25Å; L284-L303 HydrophobicContact CD2-CD1 3.61Å; L284-Y304 PolarHBondContact O-N 3.42Å
285V95.5Very high95.5Very high18 Ų1838.2 Ų38.211%0.10919%0.189CC..EExtended strand (participates in β ladder)trans-108.1133.9175-174.20000109.3L256 Y304L256-V285 PolarHBondContact O-N 3.44Å; L256-V285 VanDerWaalsContact O-N 3.1Å; V285-Y304 HydrophobicContact CG2-CD2 4.12Å; V285-Y304 HydrophobicContact CG2-CG 4.13Å
286T96.3Very high95.5Very high1 Ų144 Ų441%0.00622%0.22CC..EExtended strand (participates in β ladder)trans-135.2149.2176.3-176.40000111.6E261 A288 I294 Y304 V305 S306E261-T286 VanDerWaalsContact CD-OG1 3.26Å; E261-T286 WeakPolarHBondContact OE1-CA 3.48Å; E261-T286 WeakPolarHBondContact OE1-CB 3.49Å; E261-T286 PolarHBondContact OE1-OG1 3.37Å; E261-T286 PolarHBondContact OE2-OG1 3.24Å; T286-A288 PolarHBondContact O-N 3.47Å; T286-I294 HydrophobicContact CG2-CD1 4.03Å; T286-I294 HydrophobicContact CG2-CG1 4.31Å; T286-Y304 WeakPolarHBondContact CG2-O 3.48Å; T286-Y304 PolarHBondContact N-O 3.14Å; T286-V305 HydrophobicContact CG2-CG2 3.97Å; T286-V305 WeakPolarHBondContact O-CA 3.48Å; T286-S306 PolarHBondContact O-N 3.36Å
287N94.9Very high95.6Very high11 Ų1140.9 Ų40.96%0.05921%0.206CC..  trans-80.56.2179.268.419.9000114.8C190 E261 Q289C190-N287 PolarHBondContact SG-ND2 2.83Å; E261-N287 WeakPolarHBondContact OE2-CB 3.31Å; E261-N287 PolarHBondContact OE2-N 3.49Å; E261-N287 PolarHBondContact OE2-ND2 3.37Å; E261-N287 VanDerWaalsContact OE2-ND2 3.1Å; E261-N287 PolarHBondContact OE2-OD1 2.88Å; N287-Q289 VanDerWaalsContact C-N 3.31Å; N287-Q289 PolarHBondContact O-N 2.86Å; N287-Q289 VanDerWaalsContact OD1-CB 3.29Å; N287-Q289 WeakPolarHBondContact OD1-CB 3.42Å; N287-Q289 WeakPolarHBondContact OD1-CG 3.25Å; N287-Q289 PolarHBondContact OD1-N 3.31Å
288A96.5Very high95.5Very high0 Ų037.4 Ų37.40%019%0.19CC..SBendtrans60.927.3-178.900000116.3T286 V305 Q329 F330 S333T286-A288 PolarHBondContact O-N 3.47Å; A288-V305 HydrophobicContact CB-CG1 3.39Å; A288-Q329 CarbonylContact O-C 3.58Å; A288-F330 HydrophobicContact CB-CD2 3.65Å; A288-F330 HydrophobicContact CB-CE2 4.04Å; A288-F330 VanDerWaalsContact O-CA 3.24Å; A288-F330 WeakPolarHBondContact O-CA 3.4Å; A288-F330 PolarHBondContact O-N 2.69Å; A288-S333 VanDerWaalsContact C-OG 3.29Å; A288-S333 WeakPolarHBondContact O-CB 3.37Å; A288-S333 PolarHBondContact O-OG 3.02Å
289Q97.7Very high95.3Very high0 Ų038.5 Ų38.50%020%0.196CC..  trans-94.1-1171.5-60.9-57.7-61.700114.3A191 N192 N287 P291 F323 F326 Q329A191-Q289 HydrophobicContact CB-CB 4.2Å; A191-Q289 HydrophobicContact CB-CG 4.45Å; N192-Q289 VanDerWaalsContact OD1-CG 3.26Å; N192-Q289 WeakPolarHBondContact OD1-CG 3.44Å; N287-Q289 VanDerWaalsContact C-N 3.31Å; N287-Q289 PolarHBondContact O-N 2.86Å; N287-Q289 VanDerWaalsContact OD1-CB 3.29Å; N287-Q289 WeakPolarHBondContact OD1-CB 3.42Å; N287-Q289 WeakPolarHBondContact OD1-CG 3.25Å; N287-Q289 PolarHBondContact OD1-N 3.31Å; Q289-P291 VanDerWaalsContact C-CD 3.49Å; Q289-P291 WeakPolarHBondContact O-CD 3.4Å; Q289-F323 HydrophobicContact CB-CD2 3.93Å; Q289-F323 HydrophobicContact CB-CE2 3.9Å; Q289-F323 HydrophobicContact CG-CD2 4.44Å; Q289-F326 VanDerWaalsContact OE1-CA 3.3Å; Q289-F326 VanDerWaalsContact OE1-CB 3.29Å; Q289-F326 PolarHBondContact OE1-O 3.47Å; Q289-Q329 PolarHBondContact O-OE1 2.99Å
290F97.6Very high95.2Very high7 Ų730.6 Ų30.63%0.03116%0.162CC..  trans-125.866.6-170.2-69.5-78.3000112.1A191 T207 E261 I263 M264 A292 E293 I294 F323A191-F290 HydrophobicContact CB-CE2 3.57Å; A191-F290 HydrophobicContact CB-CZ 3.69Å; T207-F290 WeakPolarHBondContact O-CE1 3.48Å; E261-F290 HydrophobicContact CG-CD2 3.83Å; E261-F290 HydrophobicContact CG-CE2 3.75Å; I263-F290 HydrophobicContact CG2-CB 3.7Å; I263-F290 HydrophobicContact CG2-CD2 4.05Å; I263-F290 HydrophobicContact CG2-CG 4.04Å; M264-F290 HydrophobicContact CE-CE1 4.27Å; M264-F290 HydrophobicContact CE-CE2 3.83Å; M264-F290 HydrophobicContact CE-CZ 3.35Å; F290-A292 VanDerWaalsContact C-N 3.3Å; F290-A292 PolarHBondContact O-N 3.48Å; F290-E293 VanDerWaalsContact C-OE2 3.24Å; F290-E293 WeakPolarHBondContact CA-OE2 3.41Å; F290-E293 HydrophobicContact CB-CB 3.96Å; F290-E293 HydrophobicContact CB-CG 4.05Å; F290-E293 VanDerWaalsContact CB-OE2 3.25Å; F290-E293 WeakPolarHBondContact CB-OE2 3.49Å; F290-E293 HydrophobicContact CD1-CG 4.34Å; F290-E293 PolarHBondContact O-N 3.3Å; F290-I294 WeakPolarHBondContact O-CG1 3.17Å; F290-I294 PolarHBondContact O-N 3.06Å; F290-F323 HydrophobicContact CE1-CE2 4.1Å; F290-F323 AromaticContact CE1-CZ 3.89Å; F290-F323 HydrophobicContact CE1-CZ 3.89Å; F290-F323 HydrophobicContact CE2-CE2 4.37Å; F290-F323 AromaticContact CZ-CE2 3.85Å; F290-F323 HydrophobicContact CZ-CE2 3.85Å; F290-F323 HydrophobicContact CZ-CZ 4.07Å
291P98Very high94.8Very high14 Ų1432.3 Ų32.39%0.09117%0.173CC..Hα-helixtrans-65.7-30.6-172.325.4-34.7000113.3Q289 R295 Q329 D332 S333Q289-P291 VanDerWaalsContact C-CD 3.49Å; Q289-P291 WeakPolarHBondContact O-CD 3.4Å; P291-R295 WeakPolarHBondContact O-CG 3.46Å; P291-R295 PolarHBondContact O-N 3.07Å; P291-R295 VanDerWaalsContact O-N 3.11Å; P291-Q329 HydrophobicContact CG-CB 4.36Å; P291-Q329 HydrophobicContact CG-CG 4.5Å; P291-D332 HydrophobicContact CB-CB 4.04Å; P291-D332 HydrophobicContact CG-CB 4.45Å; P291-S333 WeakPolarHBondContact CA-OG 3.42Å
292A97.8Very high94.8Very high40 Ų4031.6 Ų31.633%0.33117%0.167SC..Hα-helixtrans-70.2-41.8178.400000111.2F290 R295 N296F290-A292 VanDerWaalsContact C-N 3.3Å; F290-A292 PolarHBondContact O-N 3.48Å; A292-R295 PolarHBondContact O-N 3.12Å; A292-N296 WeakPolarHBondContact O-CB 3.45Å; A292-N296 VanDerWaalsContact O-CG 3.3Å; A292-N296 PolarHBondContact O-N 3.04Å; A292-N296 PolarHBondContact O-ND2 2.94Å
293E97.8Very high95Very high74 Ų7431.6 Ų31.635%0.34617%0.167SC..Hα-helixtrans-66.1-42177.7-62.865.1-156.200109.8I263 F290 R295 N296 L297I263-E293 HydrophobicContact CD1-CB 3.83Å; I263-E293 HydrophobicContact CG1-CB 3.92Å; I263-E293 HydrophobicContact CG2-CB 4.22Å; F290-E293 VanDerWaalsContact C-OE2 3.24Å; F290-E293 WeakPolarHBondContact CA-OE2 3.41Å; F290-E293 HydrophobicContact CB-CB 3.96Å; F290-E293 HydrophobicContact CB-CG 4.05Å; F290-E293 VanDerWaalsContact CB-OE2 3.25Å; F290-E293 WeakPolarHBondContact CB-OE2 3.49Å; F290-E293 HydrophobicContact CD1-CG 4.34Å; F290-E293 PolarHBondContact O-N 3.3Å; E293-R295 VanDerWaalsContact C-N 3.34Å; E293-R295 PolarHBondContact O-N 3.42Å; E293-N296 CarbonylContact O-C 3.53Å; E293-N296 PolarHBondContact O-N 2.86Å; E293-L297 WeakPolarHBondContact O-CB 3.38Å; E293-L297 PolarHBondContact O-N 3Å
294I98Very high95.2Very high0 Ų030.9 Ų30.90%016%0.164CC..Hα-helixtrans-58.2-47.1172.3-67.6169.9000110.1I263 T286 F290 N296 L297 L303 A336 K340I263-I294 HydrophobicContact CD1-CB 4.34Å; I263-I294 HydrophobicContact CD1-CG1 3.61Å; T286-I294 HydrophobicContact CG2-CD1 4.03Å; T286-I294 HydrophobicContact CG2-CG1 4.31Å; F290-I294 WeakPolarHBondContact O-CG1 3.17Å; F290-I294 PolarHBondContact O-N 3.06Å; I294-N296 VanDerWaalsContact C-N 3.34Å; I294-N296 PolarHBondContact O-N 3.17Å; I294-L297 WeakPolarHBondContact O-CB 3.42Å; I294-L297 PolarHBondContact O-N 3.09Å; I294-L303 HydrophobicContact CG2-CD2 4.4Å; I294-A336 HydrophobicContact CB-CB 4.19Å; I294-A336 HydrophobicContact CG2-CB 3.7Å; I294-K340 WeakPolarHBondContact O-CE 3.5Å; I294-K340 PolarHBondContact O-NZ 3.3Å
295R97.8Very high95.3Very high131 Ų13130.9 Ų30.949%0.49416%0.164SC..Hα-helixtrans-59.7-44.5177.9-70.3175.6-159.1122.34112P291 A292 E293 L297 A336 K340P291-R295 WeakPolarHBondContact O-CG 3.46Å; P291-R295 PolarHBondContact O-N 3.07Å; P291-R295 VanDerWaalsContact O-N 3.11Å; A292-R295 PolarHBondContact O-N 3.12Å; E293-R295 VanDerWaalsContact C-N 3.34Å; E293-R295 PolarHBondContact O-N 3.42Å; R295-L297 VanDerWaalsContact C-N 3.31Å; R295-L297 PolarHBondContact O-N 2.91Å; R295-A336 HydrophobicContact CG-CB 3.72Å; R295-K340 PolarHBondContact O-NZ 3.48Å
296N97.6Very high95.2Very high120 Ų12031 Ų3164%0.64217%0.165SC*.Hα-helixtrans-78.4-11.1-178.2-66.5-23.2000114.1N269 A292 E293 I294 E298N269-N296 PolarHBondContact ND2-O 3.47Å; A292-N296 WeakPolarHBondContact O-CB 3.45Å; A292-N296 VanDerWaalsContact O-CG 3.3Å; A292-N296 PolarHBondContact O-N 3.04Å; A292-N296 PolarHBondContact O-ND2 2.94Å; E293-N296 CarbonylContact O-C 3.53Å; E293-N296 PolarHBondContact O-N 2.86Å; I294-N296 VanDerWaalsContact C-N 3.34Å; I294-N296 PolarHBondContact O-N 3.17Å; N296-E298 PolarHBondContact O-N 3.08Å
297L97.8Very high95.2Very high7 Ų731 Ų314%0.03717%0.165CC..PPolyproline II helixtrans-63.4123.5179.9-164.471.7000110.5I263 I268 L272 L284 E293 I294 R295 V300 L303 K340I263-L297 HydrophobicContact CD1-CD1 4.33Å; I263-L297 HydrophobicContact CD1-CD2 4.3Å; I263-L297 HydrophobicContact CG1-CD1 4.06Å; I268-L297 HydrophobicContact CG1-CD1 4.13Å; I268-L297 HydrophobicContact CG2-CD1 4.05Å; L272-L297 HydrophobicContact CD1-CD1 3.74Å; L272-L297 HydrophobicContact CD1-CG 4.27Å; L284-L297 HydrophobicContact CD1-CD1 4.22Å; L284-L297 HydrophobicContact CD1-CD2 4.27Å; L284-L297 HydrophobicContact CD2-CD2 4.41Å; E293-L297 WeakPolarHBondContact O-CB 3.38Å; E293-L297 PolarHBondContact O-N 3Å; I294-L297 WeakPolarHBondContact O-CB 3.42Å; I294-L297 PolarHBondContact O-N 3.09Å; R295-L297 VanDerWaalsContact C-N 3.31Å; R295-L297 PolarHBondContact O-N 2.91Å; L297-V300 HydrophobicContact CD2-CG1 4.26Å; L297-L303 HydrophobicContact CD2-CD1 3.86Å; L297-L303 HydrophobicContact CD2-CD2 4.13Å; L297-K340 PolarHBondContact O-NZ 3.26Å
298E95.7Very high94.9Very high70 Ų7030.7 Ų30.733%0.32716%0.164SC..PPolyproline II helixtrans-67.4160.9171.5-75.1-168.5-151.800111.4N269 K273 N296 V300N269-E298 HydrophobicContact CB-CB 4.42Å; N269-E298 HydrophobicContact CB-CG 4.17Å; N269-E298 PolarHBondContact OD1-N 3.48Å; K273-E298 WeakPolarHBondContact CE-OE1 3.36Å; K273-E298 WeakPolarHBondContact CE-OE2 3.45Å; K273-E298 IonicContact NZ-OE1 2.73Å; K273-E298 PolarHBondContact NZ-OE1 3.16Å; K273-E298 IonicContact NZ-OE2 2.89Å; K273-E298 PolarHBondContact NZ-OE2 3.4Å; N296-E298 PolarHBondContact O-N 3.08Å; E298-V300 PolarHBondContact O-N 3.43Å
299P93.1Very high94.7Very high96 Ų9630.7 Ų30.762%0.62316%0.164SC*.PPolyproline II helixtrans-57.7128.3-173.8-28.236.2000113.8H276H276-P299 PolarHBondContact CE1-O 3.25Å; H276-P299 VanDerWaalsContact CE1-O 3.25Å
300V91.4Very high94.5Very high8 Ų830.9 Ų30.95%0.04817%0.165CC..  trans-104.5166.7169-62.60000110.1L272 S282 L284 L297 E298 Q302 L303 Q342L272-V300 HydrophobicContact CD1-CG1 3.43Å; L272-V300 VanDerWaalsContact CD1-CG1 3.43Å; L272-V300 HydrophobicContact CD2-CG1 3.61Å; L272-V300 HydrophobicContact CG-CG1 4.11Å; S282-V300 WeakPolarHBondContact OG-CA 3.34Å; S282-V300 WeakPolarHBondContact OG-CB 3.38Å; L284-V300 HydrophobicContact CB-CG1 4.39Å; L297-V300 HydrophobicContact CD2-CG1 4.26Å; E298-V300 PolarHBondContact O-N 3.43Å; V300-Q302 VanDerWaalsContact C-N 3.31Å; V300-Q302 VanDerWaalsContact CG2-C 3.48Å; V300-Q302 WeakPolarHBondContact CG2-O 3.42Å; V300-Q302 PolarHBondContact O-N 3.16Å; V300-L303 HydrophobicContact CG2-CB 3.73Å; V300-Q342 PolarHBondContact O-OE1 3.1Å
301T85.1Confident94.4Very high42 Ų4232.8 Ų32.826%0.25818%0.177SC..SBendtrans-69.2-33.3176.2-460000112S281 S282 R343S281-T301 WeakPolarHBondContact CA-OG1 3.37Å; S281-T301 WeakPolarHBondContact CB-OG1 3.25Å; S282-T301 PolarHBondContact N-OG1 3.09Å; S282-T301 CarbonylContact O-C 3.57Å; S282-T301 WeakPolarHBondContact O-CA 3.44Å; S282-T301 WeakPolarHBondContact O-CB 3.19Å; S282-T301 PolarHBondContact O-N 3.35Å; S282-T301 PolarHBondContact OG-N 2.92Å; T301-R343 PolarHBondContact O-NE 2.77Å; T301-R343 PolarHBondContact O-NH2 2.94Å
302Q86.5Confident94.3Very high8 Ų837.3 Ų37.34%0.03720%0.196CC..EExtended strand (participates in β ladder)trans-154.9131.2173.2-163.7161.2-39.400110.8S282 F283 L284 V300 Y304 R343 V345S282-Q302 PolarHBondContact O-N 2.95Å; F283-Q302 WeakPolarHBondContact CA-O 3.26Å; F283-Q302 HydrophobicContact CD1-CB 3.59Å; F283-Q302 HydrophobicContact CD1-CG 4.32Å; F283-Q302 HydrophobicContact CE1-CB 4.02Å; F283-Q302 HydrophobicContact CG-CB 4.41Å; L284-Q302 PolarHBondContact N-O 3.39Å; V300-Q302 VanDerWaalsContact C-N 3.31Å; V300-Q302 VanDerWaalsContact CG2-C 3.48Å; V300-Q302 WeakPolarHBondContact CG2-O 3.42Å; V300-Q302 PolarHBondContact O-N 3.16Å; Q302-Y304 HydrophobicContact CB-CE2 4.15Å; Q302-Y304 HydrophobicContact CG-CD2 4.24Å; Q302-Y304 HydrophobicContact CG-CE2 3.72Å; Q302-Y304 PolarHBondContact NE2-OH 2.97Å; Q302-R343 WeakPolarHBondContact CA-O 3.36Å; Q302-R343 HydrophobicContact CG-CB 4.35Å; Q302-V345 HydrophobicContact CG-CG2 3.8Å
303L93.5Very high94.1Very high0 Ų040.7 Ų40.70%021%0.208CC..EExtended strand (participates in β ladder)trans-109.8122.8177.4-179.658000109.9L284 I294 L297 V300 L337 K340 Q342 R343 T344 V345L284-L303 HydrophobicContact CB-CD1 4.25Å; L284-L303 HydrophobicContact CD2-CD1 3.61Å; I294-L303 HydrophobicContact CG2-CD2 4.4Å; L297-L303 HydrophobicContact CD2-CD1 3.86Å; L297-L303 HydrophobicContact CD2-CD2 4.13Å; V300-L303 HydrophobicContact CG2-CB 3.73Å; L303-L337 HydrophobicContact CB-CD1 4.19Å; L303-L337 HydrophobicContact CD2-CD1 3.37Å; L303-L337 HydrophobicContact CG-CD1 3.57Å; L303-K340 HydrophobicContact CD2-CG 4.36Å; L303-Q342 HydrophobicContact CB-CG 4.41Å; L303-Q342 VanDerWaalsContact CD2-NE2 3.32Å; L303-R343 PolarHBondContact N-O 2.68Å; L303-T344 CarbonylContact O-C 3.59Å; L303-T344 WeakPolarHBondContact O-CA 3.43Å; L303-V345 PolarHBondContact O-N 2.85Å
304Y95.3Very high93.9Very high2 Ų237.5 Ų37.51%0.00819%0.194CC..EExtended strand (participates in β ladder)trans-105.6139.3175.8-65.5-101.5000110.6F283 L284 V285 T286 Q302 V345 R347 E375F283-Y304 HydrophobicContact CB-CE2 4.16Å; F283-Y304 HydrophobicContact CD1-CE2 4.01Å; L284-Y304 PolarHBondContact O-N 3.42Å; V285-Y304 HydrophobicContact CG2-CD2 4.12Å; V285-Y304 HydrophobicContact CG2-CG 4.13Å; T286-Y304 WeakPolarHBondContact CG2-O 3.48Å; T286-Y304 PolarHBondContact N-O 3.14Å; Q302-Y304 HydrophobicContact CB-CE2 4.15Å; Q302-Y304 HydrophobicContact CG-CD2 4.24Å; Q302-Y304 HydrophobicContact CG-CE2 3.72Å; Q302-Y304 PolarHBondContact NE2-OH 2.97Å; Y304-V345 CarbonylContact C-O 3.44Å; Y304-V345 VanDerWaalsContact CA-O 3.31Å; Y304-V345 WeakPolarHBondContact CA-O 3.49Å; Y304-V345 HydrophobicContact CD1-CB 3.43Å; Y304-V345 VanDerWaalsContact CD1-CB 3.43Å; Y304-V345 HydrophobicContact CD1-CG1 3.49Å; Y304-V345 VanDerWaalsContact CD1-CG1 3.49Å; Y304-V345 HydrophobicContact CD1-CG2 4.15Å; Y304-V345 HydrophobicContact CE1-CB 3.66Å; Y304-V345 HydrophobicContact CE1-CG1 3.52Å; Y304-V345 HydrophobicContact CE1-CG2 3.93Å; Y304-V345 HydrophobicContact CG-CB 4.07Å; Y304-R347 HydrophobicContact CD1-CB 4.43Å; Y304-E375 WeakPolarHBondContact CE1-OE1 3.48Å; Y304-E375 WeakPolarHBondContact CE1-OE2 3.29Å; Y304-E375 PolarHBondContact OH-OE1 2.89Å
305V96.5Very high93.8Very high0 Ų037.5 Ų37.50%019%0.194CC..EExtended strand (participates in β ladder)trans-113.5128.5161.7170.50000108.3T286 A288 V307 L334 L337 V345 Y346 R347T286-V305 HydrophobicContact CG2-CG2 3.97Å; T286-V305 WeakPolarHBondContact O-CA 3.48Å; A288-V305 HydrophobicContact CB-CG1 3.39Å; V305-V307 HydrophobicContact CG1-CG2 4Å; V305-L334 HydrophobicContact CG1-CD2 3.7Å; V305-L337 HydrophobicContact CB-CD2 4.32Å; V305-L337 HydrophobicContact CG2-CD1 4.07Å; V305-L337 HydrophobicContact CG2-CD2 3.88Å; V305-L337 HydrophobicContact CG2-CG 4.4Å; V305-V345 PolarHBondContact N-O 2.9Å; V305-Y346 HydrophobicContact CB-CD1 4.26Å; V305-Y346 HydrophobicContact CB-CE1 4.4Å; V305-Y346 WeakPolarHBondContact O-CA 3.34Å; V305-R347 PolarHBondContact O-N 2.98Å
306S94.6Very high93.6Very high19 Ų1937.4 Ų37.413%0.13320%0.197CC..EExtended strand (participates in β ladder)trans-74.6125.5169.2-58.90000109.7T286 D308 R347T286-S306 PolarHBondContact O-N 3.36Å; S306-D308 WeakPolarHBondContact CB-OD2 2.95Å; S306-R347 WeakPolarHBondContact CA-O 3.42Å
307V95Very high93.3Very high1 Ų139 Ų391%0.00620%0.198CC..  trans-121.875.2178.9-179.40000107.6V305 A309 F330 L334 Y346 R347 L348 Y362 L365V305-V307 HydrophobicContact CG1-CG2 4Å; V307-A309 VanDerWaalsContact C-N 3.29Å; V307-A309 PolarHBondContact O-N 3.34Å; V307-F330 HydrophobicContact CB-CZ 4.38Å; V307-F330 HydrophobicContact CG1-CZ 3.88Å; V307-F330 HydrophobicContact CG2-CE2 4.32Å; V307-F330 HydrophobicContact CG2-CZ 4.12Å; V307-L334 HydrophobicContact CG2-CD2 4.18Å; V307-Y346 HydrophobicContact CG2-CD1 4.12Å; V307-Y346 HydrophobicContact CG2-CD2 4.11Å; V307-Y346 HydrophobicContact CG2-CE1 4.45Å; V307-Y346 HydrophobicContact CG2-CE2 4.47Å; V307-Y346 HydrophobicContact CG2-CG 3.92Å; V307-R347 PolarHBondContact N-O 2.86Å; V307-L348 HydrophobicContact CB-CD1 4.04Å; V307-L348 HydrophobicContact CB-CG 4.32Å; V307-L348 WeakPolarHBondContact O-CA 3.4Å; V307-Y362 HydrophobicContact CG1-CD1 4.25Å; V307-Y362 HydrophobicContact CG1-CE1 3.98Å; V307-L365 HydrophobicContact CG1-CD1 3.88Å
308D90.5Very high93Very high6 Ų638.9 Ų38.93%0.03220%0.198CC..  trans-82.9-10.8-170.1-59.3-46.5000112.9F196 S306 I318 D319 M349 N355 Y362F196-D308 HydrophobicContact CE1-CB 3.93Å; F196-D308 HydrophobicContact CZ-CB 3.89Å; F196-D308 VanDerWaalsContact CZ-CG 3.45Å; F196-D308 WeakPolarHBondContact CZ-OD2 3.24Å; S306-D308 WeakPolarHBondContact CB-OD2 2.95Å; D308-I318 HydrophobicContact CB-CG2 4.27Å; D308-D319 WeakPolarHBondContact CB-OD1 3.24Å; D308-M349 WeakPolarHBondContact OD1-CB 3.42Å; D308-N355 PolarHBondContact O-ND2 3.27Å; D308-Y362 PolarHBondContact O-OH 2.77Å
309A92.1Very high92.8Very high0 Ų035.5 Ų35.50%018%0.182CC..  trans-154.2150.7178.300000110.3V307 S314 L315 I318V307-A309 VanDerWaalsContact C-N 3.29Å; V307-A309 PolarHBondContact O-N 3.34Å; A309-S314 VanDerWaalsContact CB-C 3.49Å; A309-S314 WeakPolarHBondContact CB-OG 2.82Å; A309-L315 VanDerWaalsContact CB-CA 3.41Å; A309-L315 HydrophobicContact CB-CB 3.89Å; A309-L315 HydrophobicContact CB-CD1 3.93Å; A309-I318 HydrophobicContact CB-CD1 4.01Å
310S93Very high92.8Very high4 Ų435.5 Ų35.53%0.02817%0.17CC..SBendtrans-107.4-7.4-174.2740000114.8W327 E358 A361S310-W327 WeakPolarHBondContact O-CH2 3.5Å; S310-E358 PolarHBondContact N-OE2 2.9Å; S310-E358 VanDerWaalsContact N-OE2 3.1Å; S310-E358 WeakPolarHBondContact OG-CB 3.2Å; S310-E358 PolarHBondContact OG-O 2.81Å; S310-E358 PolarHBondContact OG-OE2 2.96Å; S310-A361 VanDerWaalsContact OG-CB 3.24Å; S310-A361 WeakPolarHBondContact OG-CB 3.43Å
311T95.3Very high92.9Very high46 Ų4636 Ų3628%0.28217%0.173SC..SBendtrans-123.1158.917675.20000111.4D313 S314 L315 E358 A361T311-D313 PolarHBondContact O-N 3.41Å; T311-S314 PolarHBondContact N-OG 2.87Å; T311-S314 VanDerWaalsContact N-OG 3.14Å; T311-S314 PolarHBondContact O-N 3.29Å; T311-S314 PolarHBondContact O-OG 2.86Å; T311-S314 PolarHBondContact OG1-N 2.87Å; T311-S314 PolarHBondContact OG1-OG 3.5Å; T311-L315 VanDerWaalsContact O-CB 3.29Å; T311-L315 WeakPolarHBondContact O-CB 3.38Å; T311-L315 PolarHBondContact O-N 2.98Å; T311-E358 HydrophobicContact CG2-CG 4.49Å; T311-E358 WeakPolarHBondContact CG2-OE1 3.37Å; T311-E358 PolarHBondContact OG1-OE1 2.84Å; T311-A361 HydrophobicContact CG2-CB 4.04Å
312K95.9Very high93.4Very high110 Ų11037.3 Ų37.348%0.47818%0.178SC..Hα-helixtrans-56.3-40.4177.3179171.8-177.3-178.60112.5K316 F326 W327K312-K316 WeakPolarHBondContact O-CB 3.4Å; K312-K316 PolarHBondContact O-N 3Å; K312-F326 HydrophobicContact CG-CE2 3.98Å; K312-F326 HydrophobicContact CG-CZ 3.72Å; K312-F326 WeakPolarHBondContact O-CE2 3.28Å; K312-W327 HydrophobicContact CB-CB 4.28Å; K312-W327 HydrophobicContact CB-CD2 3.73Å; K312-W327 HydrophobicContact CB-CE3 4.14Å; K312-W327 HydrophobicContact CB-CG 3.77Å; K312-W327 HydrophobicContact CD-CB 3.97Å; K312-W327 HydrophobicContact CD-CG 4.01Å; K312-W327 HydrophobicContact CG-CB 3.85Å; K312-W327 HydrophobicContact CG-CD2 4.3Å; K312-W327 HydrophobicContact CG-CG 3.88Å
313D94.4Very high93.9Very high110 Ų11038.7 Ų38.759%0.58818%0.184SC*.Hα-helixtrans-76-40.7-176.5-71.3-23000111.8T311 K316 K317T311-D313 PolarHBondContact O-N 3.41Å; D313-K316 PolarHBondContact O-N 3.12Å; D313-K317 VanDerWaalsContact O-CG 3.28Å; D313-K317 WeakPolarHBondContact O-CG 3.39Å; D313-K317 PolarHBondContact O-N 2.99Å; D313-K317 VanDerWaalsContact O-N 3.12Å
314S93.6Very high94Very high8 Ų848.5 Ų48.56%0.05623%0.227CC..Hα-helixtrans-66.5-42.7174.557.50000111.1A309 T311 K316 K317 I318 E358A309-S314 VanDerWaalsContact CB-C 3.49Å; A309-S314 WeakPolarHBondContact CB-OG 2.82Å; T311-S314 PolarHBondContact N-OG 2.87Å; T311-S314 VanDerWaalsContact N-OG 3.14Å; T311-S314 PolarHBondContact O-N 3.29Å; T311-S314 PolarHBondContact O-OG 2.86Å; T311-S314 PolarHBondContact OG1-N 2.87Å; T311-S314 PolarHBondContact OG1-OG 3.5Å; S314-K316 VanDerWaalsContact C-N 3.32Å; S314-K316 PolarHBondContact O-N 3.21Å; S314-K317 PolarHBondContact O-N 3.45Å; S314-K317 VanDerWaalsContact O-N 3.11Å; S314-I318 WeakPolarHBondContact O-CB 3.4Å; S314-I318 WeakPolarHBondContact O-CG1 2.93Å; S314-I318 PolarHBondContact O-N 3.04Å; S314-E358 WeakPolarHBondContact CB-OE1 3.37Å; S314-E358 VanDerWaalsContact OG-CD 3.3Å; S314-E358 PolarHBondContact OG-OE1 3.22Å; S314-E358 PolarHBondContact OG-OE2 2.93Å
315L94.4Very high94.1Very high0 Ų052.6 Ų52.60%025%0.249CC..Hα-helixtrans-59.9-41.9175.7-166.770.7000111.7A309 T311 K317 D319 F326 W327 F330A309-L315 VanDerWaalsContact CB-CA 3.41Å; A309-L315 HydrophobicContact CB-CB 3.89Å; A309-L315 HydrophobicContact CB-CD1 3.93Å; T311-L315 VanDerWaalsContact O-CB 3.29Å; T311-L315 WeakPolarHBondContact O-CB 3.38Å; T311-L315 PolarHBondContact O-N 2.98Å; L315-K317 VanDerWaalsContact C-N 3.33Å; L315-K317 PolarHBondContact O-N 3.47Å; L315-D319 HydrophobicContact CD1-CB 4.03Å; L315-D319 VanDerWaalsContact CD1-OD2 3.27Å; L315-D319 WeakPolarHBondContact CD1-OD2 3.13Å; L315-D319 HydrophobicContact CG-CB 4.34Å; L315-D319 WeakPolarHBondContact O-CA 3.47Å; L315-D319 WeakPolarHBondContact O-CB 3.43Å; L315-D319 PolarHBondContact O-N 3.05Å; L315-F326 HydrophobicContact CB-CE2 4.43Å; L315-F326 HydrophobicContact CD2-CD2 3.94Å; L315-F326 HydrophobicContact CD2-CE2 4.29Å; L315-F326 HydrophobicContact CG-CD2 4.48Å; L315-W327 HydrophobicContact CB-CE3 4.4Å; L315-W327 HydrophobicContact CB-CZ3 4.36Å; L315-W327 HydrophobicContact CD2-CE3 3.71Å; L315-W327 HydrophobicContact CD2-CZ3 3.99Å; L315-F330 HydrophobicContact CD2-CB 3.99Å; L315-F330 HydrophobicContact CD2-CD1 4.21Å; L315-F330 HydrophobicContact CD2-CD2 4.16Å; L315-F330 HydrophobicContact CD2-CG 3.85Å
316K94.6Very high94.1Very high129 Ų12953.2 Ų53.256%0.56125%0.251SS*.Hα-helixtrans-63.1-38.6176.6-169.7175.1179.4-178.10112.8K312 D313 S314 R320 F326K312-K316 WeakPolarHBondContact O-CB 3.4Å; K312-K316 PolarHBondContact O-N 3Å; D313-K316 PolarHBondContact O-N 3.12Å; S314-K316 VanDerWaalsContact C-N 3.32Å; S314-K316 PolarHBondContact O-N 3.21Å; K316-R320 WeakPolarHBondContact O-CA 3.44Å; K316-R320 PolarHBondContact O-N 3.1Å; K316-F326 HydrophobicContact CB-CE2 4.11Å; K316-F326 HydrophobicContact CB-CZ 3.75Å; K316-F326 HydrophobicContact CD-CE1 4.31Å; K316-F326 HydrophobicContact CD-CZ 4.14Å; K316-F326 HydrophobicContact CG-CE1 4.44Å; K316-F326 HydrophobicContact CG-CZ 4.11Å
317K91.4Very high94.3Very high153 Ų15354.8 Ų54.867%0.66525%0.254SS*.Hα-helixtrans-74-43.9-179.1-72.2170.8-174.3174.50112V195 D313 S314 L315V195-K317 WeakPolarHBondContact CG1-O 3.4Å; D313-K317 VanDerWaalsContact O-CG 3.28Å; D313-K317 WeakPolarHBondContact O-CG 3.39Å; D313-K317 PolarHBondContact O-N 2.99Å; D313-K317 VanDerWaalsContact O-N 3.12Å; S314-K317 PolarHBondContact O-N 3.45Å; S314-K317 VanDerWaalsContact O-N 3.11Å; L315-K317 VanDerWaalsContact C-N 3.33Å; L315-K317 PolarHBondContact O-N 3.47Å
318I90.1Very high94.5Very high4 Ų459 Ų592%0.02127%0.274CS..Hα-helixtrans-81-59.3-173.9-64.2174.5000109.7C194 V195 F196 D308 A309 S314 W354 N355C194-I318 CarbonylContact C-O 3.56Å; C194-I318 WeakPolarHBondContact CA-O 3.39Å; V195-I318 WeakPolarHBondContact CG1-O 3.49Å; V195-I318 HydrophobicContact CG2-CB 4.34Å; V195-I318 HydrophobicContact CG2-CG2 3.92Å; V195-I318 WeakPolarHBondContact CG2-O 3.24Å; V195-I318 PolarHBondContact N-O 2.98Å; F196-I318 HydrophobicContact CD1-CG2 4.03Å; F196-I318 HydrophobicContact CE1-CG2 3.47Å; F196-I318 VanDerWaalsContact CE1-CG2 3.47Å; D308-I318 HydrophobicContact CB-CG2 4.27Å; A309-I318 HydrophobicContact CB-CD1 4.01Å; S314-I318 WeakPolarHBondContact O-CB 3.4Å; S314-I318 WeakPolarHBondContact O-CG1 2.93Å; S314-I318 PolarHBondContact O-N 3.04Å; I318-W354 HydrophobicContact CD1-CB 4.3Å; I318-W354 HydrophobicContact CG1-CE3 4.12Å; I318-N355 HydrophobicContact CD1-CB 4.24Å
319D91.8Very high94.8Very high0 Ų060 Ų600%028%0.279CS..THydrogen-bonded Turntrans-83.3-22.4-172-79.411.8000114N192 K193 C194 D308 L315N192-D319 WeakPolarHBondContact CB-O 3.36Å; N192-D319 PolarHBondContact ND2-OD2 3.3Å; K193-D319 CarbonylContact C-O 3.6Å; K193-D319 VanDerWaalsContact C-O 3.23Å; K193-D319 PolarHBondContact N-O 3.25Å; C194-D319 WeakPolarHBondContact CA-O 3.35Å; C194-D319 PolarHBondContact N-O 3.15Å; C194-D319 VanDerWaalsContact N-O 3.13Å; D308-D319 WeakPolarHBondContact CB-OD1 3.24Å; L315-D319 HydrophobicContact CD1-CB 4.03Å; L315-D319 VanDerWaalsContact CD1-OD2 3.27Å; L315-D319 WeakPolarHBondContact CD1-OD2 3.13Å; L315-D319 HydrophobicContact CG-CB 4.34Å; L315-D319 WeakPolarHBondContact O-CA 3.47Å; L315-D319 WeakPolarHBondContact O-CB 3.43Å; L315-D319 PolarHBondContact O-N 3.05Å
320R93.1Very high95.1Very high95 Ų9560 Ų6036%0.35828%0.279SS..  trans44.756.2-177.7-54.9-179177173.7-3.4111.9K193 K316 A387K193-R320 HydrophobicContact CB-CB 4.08Å; K193-R320 PolarHBondContact N-O 3.47Å; K193-R320 WeakPolarHBondContact O-CB 3.34Å; K193-R320 WeakPolarHBondContact O-CD 3.16Å; K316-R320 WeakPolarHBondContact O-CA 3.44Å; K316-R320 PolarHBondContact O-N 3.1Å; R320-A387 PolarHBondContact NH1-O 3.11Å; R320-A387 PolarHBondContact NH2-O 2.99Å
321P95.3Very high95.4Very high19 Ų1961.2 Ų61.212%0.12329%0.285CS..BIsolated β-bridgetrans-64.4148.1-178.227.2-34.4000111.7N192 F326N192-P321 WeakPolarHBondContact OD1-CA 3.47Å; N192-P321 WeakPolarHBondContact OD1-CB 3.23Å; P321-F326 HydrophobicContact CB-CB 3.56Å; P321-F326 HydrophobicContact CB-CD2 4.46Å; P321-F326 HydrophobicContact CB-CG 4.08Å; P321-F326 HydrophobicContact CG-CB 3.38Å; P321-F326 HydrophobicContact CG-CD1 3.96Å; P321-F326 HydrophobicContact CG-CD2 3.41Å; P321-F326 VanDerWaalsContact CG-CD2 3.41Å; P321-F326 HydrophobicContact CG-CE2 4.17Å; P321-F326 HydrophobicContact CG-CG 3.3Å
322L95.1Very high95.5Very high69 Ų6960.9 Ų60.936%0.36128%0.281SS..SBendtrans-80.3-29-179.9-61.9173.2000112.8A191 V205 T207A191-L322 WeakPolarHBondContact O-CB 3.49Å; A191-L322 VanDerWaalsContact O-CG 3.23Å; A191-L322 WeakPolarHBondContact O-CG 3.35Å; A191-L322 PolarHBondContact O-N 3.13Å; V205-L322 HydrophobicContact CB-CD1 3.82Å; V205-L322 HydrophobicContact CG2-CD1 4.42Å; T207-L322 HydrophobicContact CG2-CB 3.89Å
323F96.1Very high95.7Very high38 Ų3855.7 Ų55.717%0.16726%0.259CS..  trans-68.3141.7-179.8-72.5-77.7000111.7A191 T207 Q289 F290 F326A191-F323 HydrophobicContact CB-CD2 4.09Å; A191-F323 HydrophobicContact CB-CE2 3.7Å; T207-F323 VanDerWaalsContact CB-CE1 3.44Å; T207-F323 VanDerWaalsContact CB-CZ 3.43Å; T207-F323 HydrophobicContact CG2-CD1 3.72Å; T207-F323 HydrophobicContact CG2-CD2 4.04Å; T207-F323 HydrophobicContact CG2-CE1 3.6Å; T207-F323 HydrophobicContact CG2-CE2 3.91Å; T207-F323 HydrophobicContact CG2-CG 3.96Å; T207-F323 HydrophobicContact CG2-CZ 3.7Å; T207-F323 WeakPolarHBondContact O-CZ 3.48Å; Q289-F323 HydrophobicContact CB-CD2 3.93Å; Q289-F323 HydrophobicContact CB-CE2 3.9Å; Q289-F323 HydrophobicContact CG-CD2 4.44Å; F290-F323 HydrophobicContact CE1-CE2 4.1Å; F290-F323 AromaticContact CE1-CZ 3.89Å; F290-F323 HydrophobicContact CE1-CZ 3.89Å; F290-F323 HydrophobicContact CE2-CE2 4.37Å; F290-F323 AromaticContact CZ-CE2 3.85Å; F290-F323 HydrophobicContact CZ-CE2 3.85Å; F290-F323 HydrophobicContact CZ-CZ 4.07Å; F323-F326 HydrophobicContact CB-CB 4.21Å; F323-F326 WeakPolarHBondContact O-CB 3.3Å; F323-F326 WeakPolarHBondContact O-CD1 3.31Å
324K95.9Very high95.8Very high206 Ų20650.4 Ų50.490%0.89623%0.231SC*.THydrogen-bonded Turntrans-73-33.3177.5-67.5-176.3-179.8178.90112.3
325D97.2Very high96.1Very high88 Ų8854.4 Ų54.447%0.47125%0.247SC..THydrogen-bonded Turntrans-98.421179.364.6-25000112.6W327 Q328 Q329D325-W327 PolarHBondContact O-N 3.28Å; D325-Q328 PolarHBondContact O-N 2.9Å; D325-Q329 PolarHBondContact O-N 3.42Å; D325-Q329 VanDerWaalsContact O-N 3.14Å; D325-Q329 PolarHBondContact OD1-NE2 3.27Å
326F97.8Very high96.2Very high12 Ų1254.6 Ų54.65%0.05325%0.248CC..Hα-helixtrans-44.1-38.6-175.467.3-89.1000114.9Q289 K312 L315 K316 P321 F323 F330Q289-F326 VanDerWaalsContact OE1-CA 3.3Å; Q289-F326 VanDerWaalsContact OE1-CB 3.29Å; Q289-F326 PolarHBondContact OE1-O 3.47Å; K312-F326 HydrophobicContact CG-CE2 3.98Å; K312-F326 HydrophobicContact CG-CZ 3.72Å; K312-F326 WeakPolarHBondContact O-CE2 3.28Å; L315-F326 HydrophobicContact CB-CE2 4.43Å; L315-F326 HydrophobicContact CD2-CD2 3.94Å; L315-F326 HydrophobicContact CD2-CE2 4.29Å; L315-F326 HydrophobicContact CG-CD2 4.48Å; K316-F326 HydrophobicContact CB-CE2 4.11Å; K316-F326 HydrophobicContact CB-CZ 3.75Å; K316-F326 HydrophobicContact CD-CE1 4.31Å; K316-F326 HydrophobicContact CD-CZ 4.14Å; K316-F326 HydrophobicContact CG-CE1 4.44Å; K316-F326 HydrophobicContact CG-CZ 4.11Å; P321-F326 HydrophobicContact CB-CB 3.56Å; P321-F326 HydrophobicContact CB-CD2 4.46Å; P321-F326 HydrophobicContact CB-CG 4.08Å; P321-F326 HydrophobicContact CG-CB 3.38Å; P321-F326 HydrophobicContact CG-CD1 3.96Å; P321-F326 HydrophobicContact CG-CD2 3.41Å; P321-F326 VanDerWaalsContact CG-CD2 3.41Å; P321-F326 HydrophobicContact CG-CE2 4.17Å; P321-F326 HydrophobicContact CG-CG 3.3Å; F323-F326 HydrophobicContact CB-CB 4.21Å; F323-F326 WeakPolarHBondContact O-CB 3.3Å; F323-F326 WeakPolarHBondContact O-CD1 3.31Å; F326-F330 VanDerWaalsContact O-CB 3.25Å; F326-F330 WeakPolarHBondContact O-CB 3.17Å; F326-F330 PolarHBondContact O-N 2.76Å
327W98Very high96.2Very high52 Ų5248.5 Ų48.520%0.19722%0.222CC..Hα-helixtrans-69.3-41-179.2-177.3-114.2000112.2S310 K312 L315 D325 F330 L331 L365S310-W327 WeakPolarHBondContact O-CH2 3.5Å; K312-W327 HydrophobicContact CB-CB 4.28Å; K312-W327 HydrophobicContact CB-CD2 3.73Å; K312-W327 HydrophobicContact CB-CE3 4.14Å; K312-W327 HydrophobicContact CB-CG 3.77Å; K312-W327 HydrophobicContact CD-CB 3.97Å; K312-W327 HydrophobicContact CD-CG 4.01Å; K312-W327 HydrophobicContact CG-CB 3.85Å; K312-W327 HydrophobicContact CG-CD2 4.3Å; K312-W327 HydrophobicContact CG-CG 3.88Å; L315-W327 HydrophobicContact CB-CE3 4.4Å; L315-W327 HydrophobicContact CB-CZ3 4.36Å; L315-W327 HydrophobicContact CD2-CE3 3.71Å; L315-W327 HydrophobicContact CD2-CZ3 3.99Å; D325-W327 PolarHBondContact O-N 3.28Å; W327-F330 AromaticContact CE3-CD1 3.9Å; W327-F330 HydrophobicContact CE3-CD1 3.9Å; W327-F330 HydrophobicContact CH2-CD1 4.14Å; W327-F330 HydrophobicContact CH2-CE1 4.18Å; W327-F330 AromaticContact CZ3-CD1 3.57Å; W327-F330 HydrophobicContact CZ3-CD1 3.57Å; W327-F330 AromaticContact CZ3-CE1 3.84Å; W327-F330 HydrophobicContact CZ3-CE1 3.84Å; W327-F330 WeakPolarHBondContact O-CB 3.23Å; W327-F330 PolarHBondContact O-N 2.87Å; W327-L331 HydrophobicContact CH2-CD2 4.33Å; W327-L331 HydrophobicContact CZ2-CD1 4.37Å; W327-L331 HydrophobicContact CZ2-CD2 3.94Å; W327-L331 HydrophobicContact CZ2-CG 4.31Å; W327-L331 WeakPolarHBondContact O-CG 3.27Å; W327-L331 PolarHBondContact O-N 3.46Å; W327-L365 HydrophobicContact CH2-CD2 4.29Å
328Q98.4Very high96.4Very high91 Ų9143.4 Ų43.443%0.42521%0.209SC..Hα-helixtrans-68.7-41.7178-173.856.750.800110.4D325 F330 L331 D332D325-Q328 PolarHBondContact O-N 2.9Å; Q328-F330 VanDerWaalsContact C-N 3.33Å; Q328-F330 PolarHBondContact O-N 3.22Å; Q328-L331 PolarHBondContact O-N 3.28Å; Q328-D332 PolarHBondContact NE2-OD1 3.03Å; Q328-D332 PolarHBondContact NE2-OD2 3.06Å; Q328-D332 WeakPolarHBondContact O-CB 3.38Å; Q328-D332 VanDerWaalsContact O-CG 3.29Å; Q328-D332 PolarHBondContact O-N 2.84Å
329Q98.1Very high96.7Very high26 Ų2648 Ų4812%0.12124%0.237CC..Hα-helixtrans-62-41.1174.9-66.5-165.685.500112.1A288 Q289 P291 D325 D332 S333A288-Q329 CarbonylContact O-C 3.58Å; Q289-Q329 PolarHBondContact O-OE1 2.99Å; P291-Q329 HydrophobicContact CG-CB 4.36Å; P291-Q329 HydrophobicContact CG-CG 4.5Å; D325-Q329 PolarHBondContact O-N 3.42Å; D325-Q329 VanDerWaalsContact O-N 3.14Å; D325-Q329 PolarHBondContact OD1-NE2 3.27Å; Q329-D332 PolarHBondContact O-N 2.94Å; Q329-S333 WeakPolarHBondContact O-CB 3.38Å; Q329-S333 PolarHBondContact O-N 3.37Å; Q329-S333 PolarHBondContact O-OG 3.34Å
330F98.4Very high96.7Very high0 Ų049.8 Ų49.80%024%0.244CC..Hα-helixtrans-56.2-55.3172.4176.9-102.5000111.6A288 V307 L315 F326 W327 Q328 D332 S333 L334 L365A288-F330 HydrophobicContact CB-CD2 3.65Å; A288-F330 HydrophobicContact CB-CE2 4.04Å; A288-F330 VanDerWaalsContact O-CA 3.24Å; A288-F330 WeakPolarHBondContact O-CA 3.4Å; A288-F330 PolarHBondContact O-N 2.69Å; V307-F330 HydrophobicContact CB-CZ 4.38Å; V307-F330 HydrophobicContact CG1-CZ 3.88Å; V307-F330 HydrophobicContact CG2-CE2 4.32Å; V307-F330 HydrophobicContact CG2-CZ 4.12Å; L315-F330 HydrophobicContact CD2-CB 3.99Å; L315-F330 HydrophobicContact CD2-CD1 4.21Å; L315-F330 HydrophobicContact CD2-CD2 4.16Å; L315-F330 HydrophobicContact CD2-CG 3.85Å; F326-F330 VanDerWaalsContact O-CB 3.25Å; F326-F330 WeakPolarHBondContact O-CB 3.17Å; F326-F330 PolarHBondContact O-N 2.76Å; W327-F330 AromaticContact CE3-CD1 3.9Å; W327-F330 HydrophobicContact CE3-CD1 3.9Å; W327-F330 HydrophobicContact CH2-CD1 4.14Å; W327-F330 HydrophobicContact CH2-CE1 4.18Å; W327-F330 AromaticContact CZ3-CD1 3.57Å; W327-F330 HydrophobicContact CZ3-CD1 3.57Å; W327-F330 AromaticContact CZ3-CE1 3.84Å; W327-F330 HydrophobicContact CZ3-CE1 3.84Å; W327-F330 WeakPolarHBondContact O-CB 3.23Å; W327-F330 PolarHBondContact O-N 2.87Å; Q328-F330 VanDerWaalsContact C-N 3.33Å; Q328-F330 PolarHBondContact O-N 3.22Å; F330-D332 VanDerWaalsContact C-N 3.3Å; F330-D332 PolarHBondContact O-N 2.69Å; F330-S333 WeakPolarHBondContact O-CB 3.38Å; F330-S333 PolarHBondContact O-N 2.92Å; F330-S333 VanDerWaalsContact O-N 3.14Å; F330-L334 HydrophobicContact CD1-CD1 4.4Å; F330-L334 HydrophobicContact CE1-CD1 3.72Å; F330-L334 HydrophobicContact CE1-CG 4.28Å; F330-L334 HydrophobicContact CE2-CD2 4.16Å; F330-L334 HydrophobicContact CZ-CD1 3.84Å; F330-L334 HydrophobicContact CZ-CD2 4.11Å; F330-L334 HydrophobicContact CZ-CG 4.22Å; F330-L334 WeakPolarHBondContact O-CG 3.2Å; F330-L334 PolarHBondContact O-N 3.03Å; F330-L365 HydrophobicContact CE1-CD1 3.76Å; F330-L365 HydrophobicContact CE1-CD2 4.09Å; F330-L365 HydrophobicContact CZ-CD1 4.08Å
331L98.4Very high96.6Very high30 Ų3054.1 Ų54.116%0.15727%0.269CS..Hα-helixtrans-60-38.8178.3-65.3178.2000112.8W327 Q328 S333 L334 K335 L365 L368W327-L331 HydrophobicContact CH2-CD2 4.33Å; W327-L331 HydrophobicContact CZ2-CD1 4.37Å; W327-L331 HydrophobicContact CZ2-CD2 3.94Å; W327-L331 HydrophobicContact CZ2-CG 4.31Å; W327-L331 WeakPolarHBondContact O-CG 3.27Å; W327-L331 PolarHBondContact O-N 3.46Å; Q328-L331 PolarHBondContact O-N 3.28Å; L331-S333 VanDerWaalsContact C-N 3.34Å; L331-L334 PolarHBondContact O-N 2.81Å; L331-K335 WeakPolarHBondContact O-CG 3.24Å; L331-K335 PolarHBondContact O-N 3.22Å; L331-L365 HydrophobicContact CD2-CD2 3.64Å; L331-L368 HydrophobicContact CB-CD2 4.23Å; L331-L368 HydrophobicContact CD2-CD2 3.7Å
332D98.5Very high96.2Very high39 Ų3954.4 Ų54.421%0.20927%0.268CS..Hα-helixtrans-73.6-26.9179.3-69.3-24.3000112.9P291 Q328 Q329 F330 K335 A336P291-D332 HydrophobicContact CB-CB 4.04Å; P291-D332 HydrophobicContact CG-CB 4.45Å; Q328-D332 PolarHBondContact NE2-OD1 3.03Å; Q328-D332 PolarHBondContact NE2-OD2 3.06Å; Q328-D332 WeakPolarHBondContact O-CB 3.38Å; Q328-D332 VanDerWaalsContact O-CG 3.29Å; Q328-D332 PolarHBondContact O-N 2.84Å; Q329-D332 PolarHBondContact O-N 2.94Å; F330-D332 VanDerWaalsContact C-N 3.3Å; F330-D332 PolarHBondContact O-N 2.69Å; D332-K335 IonicContact OD1-NZ 3.57Å; D332-K335 PolarHBondContact OD1-NZ 2.98Å; D332-A336 VanDerWaalsContact O-CB 3.28Å; D332-A336 WeakPolarHBondContact O-CB 3.49Å; D332-A336 PolarHBondContact O-N 3.4Å
333S98.3Very high95.6Very high0 Ų053 Ų530%026%0.258CS..Hα-helixtrans-67.8-41.4169.3-68.90000111.1A288 P291 Q329 F330 L331 A336 L337A288-S333 VanDerWaalsContact C-OG 3.29Å; A288-S333 WeakPolarHBondContact O-CB 3.37Å; A288-S333 PolarHBondContact O-OG 3.02Å; P291-S333 WeakPolarHBondContact CA-OG 3.42Å; Q329-S333 WeakPolarHBondContact O-CB 3.38Å; Q329-S333 PolarHBondContact O-N 3.37Å; Q329-S333 PolarHBondContact O-OG 3.34Å; F330-S333 WeakPolarHBondContact O-CB 3.38Å; F330-S333 PolarHBondContact O-N 2.92Å; F330-S333 VanDerWaalsContact O-N 3.14Å; L331-S333 VanDerWaalsContact C-N 3.34Å; S333-A336 PolarHBondContact O-N 2.69Å; S333-L337 PolarHBondContact O-N 3.14Å
334L98.3Very high95.5Very high0 Ų051.4 Ų51.40%025%0.252CS..Hα-helixtrans-61.8-43.8174.2-61.3-164.8000111.7V305 V307 F330 L331 L337 A338 Y346 L365 L368V305-L334 HydrophobicContact CG1-CD2 3.7Å; V307-L334 HydrophobicContact CG2-CD2 4.18Å; F330-L334 HydrophobicContact CD1-CD1 4.4Å; F330-L334 HydrophobicContact CE1-CD1 3.72Å; F330-L334 HydrophobicContact CE1-CG 4.28Å; F330-L334 HydrophobicContact CE2-CD2 4.16Å; F330-L334 HydrophobicContact CZ-CD1 3.84Å; F330-L334 HydrophobicContact CZ-CD2 4.11Å; F330-L334 HydrophobicContact CZ-CG 4.22Å; F330-L334 WeakPolarHBondContact O-CG 3.2Å; F330-L334 PolarHBondContact O-N 3.03Å; L331-L334 PolarHBondContact O-N 2.81Å; L334-L337 WeakPolarHBondContact O-CB 3.42Å; L334-L337 PolarHBondContact O-N 3.1Å; L334-A338 PolarHBondContact O-N 3.43Å; L334-A338 VanDerWaalsContact O-N 3.13Å; L334-Y346 VanDerWaalsContact CB-OH 3.27Å; L334-Y346 WeakPolarHBondContact CB-OH 3.22Å; L334-Y346 HydrophobicContact CD2-CE1 3.75Å; L334-Y346 WeakPolarHBondContact CD2-OH 3.2Å; L334-L365 HydrophobicContact CD1-CB 4.05Å; L334-L365 HydrophobicContact CD1-CD1 4.5Å; L334-L365 HydrophobicContact CD1-CD2 3.87Å; L334-L365 HydrophobicContact CD1-CG 4.35Å; L334-L368 HydrophobicContact CB-CD2 4.14Å; L334-L368 HydrophobicContact CB-CG 4.48Å; L334-L368 HydrophobicContact CD1-CD2 4.32Å
335K98.1Very high95.3Very high92 Ų9241.6 Ų41.640%0.421%0.209SC..Hα-helixtrans-64.3-39.2173.6-66.5170.8-164.6158.40112.3L331 D332 L337 A338 L368L331-K335 WeakPolarHBondContact O-CG 3.24Å; L331-K335 PolarHBondContact O-N 3.22Å; D332-K335 IonicContact OD1-NZ 3.57Å; D332-K335 PolarHBondContact OD1-NZ 2.98Å; K335-L337 VanDerWaalsContact C-N 3.27Å; K335-L337 PolarHBondContact O-N 3.35Å; K335-A338 WeakPolarHBondContact O-CB 3.34Å; K335-A338 PolarHBondContact O-N 2.64Å; K335-L368 HydrophobicContact CD-CD1 4.4Å; K335-L368 HydrophobicContact CG-CD1 3.78Å; K335-L368 HydrophobicContact CG-CD2 4.42Å; K335-L368 HydrophobicContact CG-CG 4.08Å
336A97.7Very high95.3Very high4 Ų437.5 Ų37.53%0.03319%0.187CC..Hα-helixtrans-65.8-32.8176.700000111.9I294 R295 D332 S333 V339I294-A336 HydrophobicContact CB-CB 4.19Å; I294-A336 HydrophobicContact CG2-CB 3.7Å; R295-A336 HydrophobicContact CG-CB 3.72Å; D332-A336 VanDerWaalsContact O-CB 3.28Å; D332-A336 WeakPolarHBondContact O-CB 3.49Å; D332-A336 PolarHBondContact O-N 3.4Å; S333-A336 PolarHBondContact O-N 2.69Å; A336-V339 VanDerWaalsContact O-CG2 3.24Å; A336-V339 WeakPolarHBondContact O-CG2 3.21Å
337L95.3Very high95.1Very high0 Ų038.2 Ų38.20%019%0.189CC..Hα-helixtrans-65.5-43.3172.9-16873.8000111.4L303 V305 S333 L334 K335 V339 K340 T344 Y346L303-L337 HydrophobicContact CB-CD1 4.19Å; L303-L337 HydrophobicContact CD2-CD1 3.37Å; L303-L337 HydrophobicContact CG-CD1 3.57Å; V305-L337 HydrophobicContact CB-CD2 4.32Å; V305-L337 HydrophobicContact CG2-CD1 4.07Å; V305-L337 HydrophobicContact CG2-CD2 3.88Å; V305-L337 HydrophobicContact CG2-CG 4.4Å; S333-L337 PolarHBondContact O-N 3.14Å; L334-L337 WeakPolarHBondContact O-CB 3.42Å; L334-L337 PolarHBondContact O-N 3.1Å; K335-L337 VanDerWaalsContact C-N 3.27Å; K335-L337 PolarHBondContact O-N 3.35Å; L337-V339 PolarHBondContact O-N 3.23Å; L337-V339 VanDerWaalsContact O-N 3.11Å; L337-K340 VanDerWaalsContact O-CB 3.3Å; L337-K340 WeakPolarHBondContact O-CB 3.32Å; L337-K340 PolarHBondContact O-N 3.31Å; L337-T344 HydrophobicContact CD1-CG2 3.66Å; L337-T344 HydrophobicContact CD2-CG2 4.35Å; L337-T344 HydrophobicContact CG-CG2 3.68Å; L337-Y346 HydrophobicContact CD2-CD1 3.77Å; L337-Y346 HydrophobicContact CD2-CE1 3.36Å
338A95.1Very high94.9Very high47 Ų4735.8 Ų35.839%0.38818%0.18SC..Hα-helixtrans-56.5-30.4-176.200000114.5L334 K335 G369L334-A338 PolarHBondContact O-N 3.43Å; L334-A338 VanDerWaalsContact O-N 3.13Å; K335-A338 WeakPolarHBondContact O-CB 3.34Å; K335-A338 PolarHBondContact O-N 2.64Å; A338-G369 VanDerWaalsContact CA-O 3.26Å; A338-G369 WeakPolarHBondContact CA-O 3.47Å; A338-G369 VanDerWaalsContact CB-O 3.27Å; A338-G369 WeakPolarHBondContact CB-O 3.21Å
339V95.4Very high94.4Very high101 Ų10133.9 Ų33.961%0.61217%0.172SC*.THydrogen-bonded Turntrans-88.8-6.1-178.7-60.10000113.2A336 L337 Q341A336-V339 VanDerWaalsContact O-CG2 3.24Å; A336-V339 WeakPolarHBondContact O-CG2 3.21Å; L337-V339 PolarHBondContact O-N 3.23Å; L337-V339 VanDerWaalsContact O-N 3.11Å; V339-Q341 PolarHBondContact O-NE2 3.02Å
340K92.7Very high94.1Very high37 Ų3732.7 Ų32.716%0.16117%0.167CC..  trans-70.4141.2176.5-66.3-65-174.8178.70110.4I294 R295 L297 L303 L337 Q342 T344I294-K340 WeakPolarHBondContact O-CE 3.5Å; I294-K340 PolarHBondContact O-NZ 3.3Å; R295-K340 PolarHBondContact O-NZ 3.48Å; L297-K340 PolarHBondContact O-NZ 3.26Å; L303-K340 HydrophobicContact CD2-CG 4.36Å; L337-K340 VanDerWaalsContact O-CB 3.3Å; L337-K340 WeakPolarHBondContact O-CB 3.32Å; L337-K340 PolarHBondContact O-N 3.31Å; K340-Q342 HydrophobicContact CB-CG 4.17Å; K340-T344 HydrophobicContact CB-CG2 4.1Å
341Q89.6Confident93.6Very high186 Ų18632.7 Ų32.787%0.86917%0.167SC*.SBendtrans-93.5-7.4-179.9-57.6-58.4-52.400113.1V339V339-Q341 PolarHBondContact O-NE2 3.02Å
342Q86.9Confident93Very high24 Ų2434.3 Ų34.311%0.11217%0.172CC..SBendtrans-84172.9173.871.3-149.9-3.800110.8V300 L303 K340 T344V300-Q342 PolarHBondContact O-OE1 3.1Å; L303-Q342 HydrophobicContact CB-CG 4.41Å; L303-Q342 VanDerWaalsContact CD2-NE2 3.32Å; K340-Q342 HydrophobicContact CB-CG 4.17Å; Q342-T344 PolarHBondContact O-N 2.97Å
343R84.4Confident92.3Very high39 Ų3936 Ų3615%0.14719%0.191CC..  trans-68.4128.7176.3-62.7179.2-54.3121.27.2111T301 Q302 L303 D372 R456T301-R343 PolarHBondContact O-NE 2.77Å; T301-R343 PolarHBondContact O-NH2 2.94Å; Q302-R343 WeakPolarHBondContact CA-O 3.36Å; Q302-R343 HydrophobicContact CG-CB 4.35Å; L303-R343 PolarHBondContact N-O 2.68Å; R343-D372 VanDerWaalsContact CA-OD2 3.29Å; R343-D372 WeakPolarHBondContact CA-OD2 3.46Å; R343-R456 VanDerWaalsContact NE-CZ 3.32Å; R343-R456 VanDerWaalsContact NH1-CD 3.28Å; R343-R456 VanDerWaalsContact NH1-NH1 3.14Å; R343-R456 VanDerWaalsContact NH2-CZ 3.34Å; R343-R456 VanDerWaalsContact NH2-NH2 3.16Å
344T92.6Very high91.5Very high6 Ų639.1 Ų39.14%0.03720%0.203CC..EExtended strand (participates in β ladder)trans-118.4139.8-175.354.10000111L303 L337 K340 Q342 P371 D372 F373L303-T344 CarbonylContact O-C 3.59Å; L303-T344 WeakPolarHBondContact O-CA 3.43Å; L337-T344 HydrophobicContact CD1-CG2 3.66Å; L337-T344 HydrophobicContact CD2-CG2 4.35Å; L337-T344 HydrophobicContact CG-CG2 3.68Å; K340-T344 HydrophobicContact CB-CG2 4.1Å; Q342-T344 PolarHBondContact O-N 2.97Å; T344-P371 WeakPolarHBondContact OG1-CA 3.4Å; T344-D372 PolarHBondContact N-OD2 3.18Å; T344-D372 WeakPolarHBondContact O-CB 3.33Å; T344-D372 PolarHBondContact O-N 3.02Å; T344-D372 PolarHBondContact OG1-N 2.92Å; T344-D372 VanDerWaalsContact OG1-N 3.14Å; T344-D372 PolarHBondContact OG1-OD2 3.03Å; T344-D372 VanDerWaalsContact OG1-OD2 3.08Å; T344-F373 PolarHBondContact O-N 3.24Å; T344-F373 VanDerWaalsContact O-N 3.15Å
345V92.2Very high90.7Very high0 Ų039.1 Ų39.10%020%0.203CC..EExtended strand (participates in β ladder)trans-135.9135.2-178.3-174.20000111.1Q302 L303 Y304 V305 F373 E375Q302-V345 HydrophobicContact CG-CG2 3.8Å; L303-V345 PolarHBondContact O-N 2.85Å; Y304-V345 CarbonylContact C-O 3.44Å; Y304-V345 VanDerWaalsContact CA-O 3.31Å; Y304-V345 WeakPolarHBondContact CA-O 3.49Å; Y304-V345 HydrophobicContact CD1-CB 3.43Å; Y304-V345 VanDerWaalsContact CD1-CB 3.43Å; Y304-V345 HydrophobicContact CD1-CG1 3.49Å; Y304-V345 VanDerWaalsContact CD1-CG1 3.49Å; Y304-V345 HydrophobicContact CD1-CG2 4.15Å; Y304-V345 HydrophobicContact CE1-CB 3.66Å; Y304-V345 HydrophobicContact CE1-CG1 3.52Å; Y304-V345 HydrophobicContact CE1-CG2 3.93Å; Y304-V345 HydrophobicContact CG-CB 4.07Å; V305-V345 PolarHBondContact N-O 2.9Å; V345-F373 VanDerWaalsContact CA-O 3.3Å; V345-F373 WeakPolarHBondContact CA-O 3.35Å; V345-F373 HydrophobicContact CB-CB 4.41Å; V345-F373 HydrophobicContact CG1-CB 4.08Å; V345-F373 HydrophobicContact CG2-CB 3.87Å; V345-F373 HydrophobicContact CG2-CD2 4.02Å; V345-F373 HydrophobicContact CG2-CG 4.38Å; V345-E375 HydrophobicContact CG1-CB 4.41Å; V345-E375 HydrophobicContact CG1-CG 3.98Å
346Y97.1Very high89.4Confident1 Ų136.4 Ų36.40%0.00419%0.194CC..EExtended strand (participates in β ladder)trans-91.9129.5160.4-74.4-2.9000109.8V305 V307 L334 L337 V366 G369 P371 F373 I374 E375V305-Y346 HydrophobicContact CB-CD1 4.26Å; V305-Y346 HydrophobicContact CB-CE1 4.4Å; V305-Y346 WeakPolarHBondContact O-CA 3.34Å; V307-Y346 HydrophobicContact CG2-CD1 4.12Å; V307-Y346 HydrophobicContact CG2-CD2 4.11Å; V307-Y346 HydrophobicContact CG2-CE1 4.45Å; V307-Y346 HydrophobicContact CG2-CE2 4.47Å; V307-Y346 HydrophobicContact CG2-CG 3.92Å; L334-Y346 VanDerWaalsContact CB-OH 3.27Å; L334-Y346 WeakPolarHBondContact CB-OH 3.22Å; L334-Y346 HydrophobicContact CD2-CE1 3.75Å; L334-Y346 WeakPolarHBondContact CD2-OH 3.2Å; L337-Y346 HydrophobicContact CD2-CD1 3.77Å; L337-Y346 HydrophobicContact CD2-CE1 3.36Å; Y346-V366 HydrophobicContact CD2-CG2 4.33Å; Y346-G369 WeakPolarHBondContact OH-CA 3.36Å; Y346-P371 HydrophobicContact CD1-CB 3.99Å; Y346-P371 HydrophobicContact CD1-CG 4.05Å; Y346-P371 HydrophobicContact CD2-CG 3.69Å; Y346-P371 HydrophobicContact CE1-CB 4.33Å; Y346-P371 HydrophobicContact CE1-CG 4.36Å; Y346-P371 HydrophobicContact CE2-CG 4Å; Y346-P371 HydrophobicContact CG-CB 4.11Å; Y346-P371 HydrophobicContact CG-CG 3.7Å; Y346-F373 PolarHBondContact N-O 2.56Å; Y346-I374 CarbonylContact O-C 3.54Å; Y346-I374 WeakPolarHBondContact O-CA 3.35Å; Y346-E375 PolarHBondContact O-N 3.12Å
347R93.9Very high88.6Confident27 Ų2742.8 Ų42.810%0.10223%0.228CC..EExtended strand (participates in β ladder)trans-110.9110173.6-176177.7-65.8-173.3-9.4108.7Y304 V305 S306 V307 E375 Q460Y304-R347 HydrophobicContact CD1-CB 4.43Å; V305-R347 PolarHBondContact O-N 2.98Å; S306-R347 WeakPolarHBondContact CA-O 3.42Å; V307-R347 PolarHBondContact N-O 2.86Å; R347-E375 CarbonylContact C-O 3.55Å; R347-E375 WeakPolarHBondContact CA-O 3.4Å; R347-E375 HydrophobicContact CG-CB 4.46Å; R347-E375 IonicContact CZ-OE2 3.83Å; R347-E375 IonicContact NE-OE2 2.94Å; R347-E375 PolarHBondContact NE-OE2 3.04Å; R347-E375 VanDerWaalsContact NE-OE2 3.14Å; R347-E375 IonicContact NH2-OE2 3.87Å; R347-E375 PolarHBondContact NH2-OE2 3.11Å; R347-Q460 VanDerWaalsContact CD-NE2 3.26Å
348L93.4Very high88.2Confident2 Ų244.6 Ų44.61%0.0124%0.236CC..EExtended strand (participates in β ladder)trans-98.4118.2-177.7-75.559.4000108V307 Y362 I374 E375 V376 K377 L408V307-L348 HydrophobicContact CB-CD1 4.04Å; V307-L348 HydrophobicContact CB-CG 4.32Å; V307-L348 WeakPolarHBondContact O-CA 3.4Å; L348-Y362 HydrophobicContact CD2-CD1 3.58Å; L348-Y362 HydrophobicContact CD2-CE1 3.77Å; L348-Y362 HydrophobicContact CD2-CG 4.33Å; L348-Y362 HydrophobicContact CG-CD1 4.12Å; L348-Y362 HydrophobicContact CG-CE1 3.89Å; L348-I374 HydrophobicContact CD1-CG2 3.55Å; L348-I374 HydrophobicContact CD2-CG2 4.07Å; L348-I374 HydrophobicContact CG-CG2 4.42Å; L348-E375 PolarHBondContact N-O 3.19Å; L348-V376 HydrophobicContact CB-CG1 4.48Å; L348-V376 HydrophobicContact CB-CG2 4.38Å; L348-V376 HydrophobicContact CD2-CG2 4.22Å; L348-K377 PolarHBondContact O-N 3.23Å; L348-L408 HydrophobicContact CD2-CD2 4.27Å
349M88.9Confident88Confident50 Ų5043 Ų4325%0.24622%0.221CC..EExtended strand (participates in β ladder)trans-89.1107.7169.4-167.2165.8-59.600110F196 D308 N355 K377 V379F196-M349 HydrophobicContact CB-SD 4.05Å; F196-M349 HydrophobicContact CD1-SD 3.77Å; F196-M349 HydrophobicContact CD2-CE 3.98Å; F196-M349 HydrophobicContact CD2-SD 3.42Å; F196-M349 WeakPolarHBondContact CD2-SD 3.1Å; F196-M349 HydrophobicContact CE1-SD 4.05Å; F196-M349 HydrophobicContact CE2-CE 3.99Å; F196-M349 HydrophobicContact CE2-SD 3.77Å; F196-M349 HydrophobicContact CG-SD 3.44Å; F196-M349 WeakPolarHBondContact CG-SD 2.86Å; F196-M349 HydrophobicContact CZ-SD 4.08Å; D308-M349 WeakPolarHBondContact OD1-CB 3.42Å; M349-N355 PolarHBondContact O-ND2 2.66Å; M349-K377 CarbonylContact C-O 3.6Å; M349-K377 WeakPolarHBondContact CA-O 3.16Å; M349-V379 HydrophobicContact CG-CB 3.93Å; M349-V379 HydrophobicContact CG-CG2 4.21Å; M349-V379 HydrophobicContact SD-CB 4.17Å; M349-V379 HydrophobicContact SD-CG2 3.78Å
350L90.4Very high87.9Confident2 Ų243.7 Ų43.71%0.0122%0.218CC..EExtended strand (participates in β ladder)trans-81.8122.6-179.6-162.771000110.2V356 V376 K377 V379 P396 V401 F404L350-V356 HydrophobicContact CD1-CG1 3.85Å; L350-V356 HydrophobicContact CD2-CG1 4.16Å; L350-V356 HydrophobicContact CG-CG1 3.91Å; L350-V376 HydrophobicContact CB-CG1 4.48Å; L350-K377 PolarHBondContact N-O 2.87Å; L350-V379 PolarHBondContact O-N 3.31Å; L350-P396 HydrophobicContact CB-CG 4.48Å; L350-P396 HydrophobicContact CD2-CB 4.48Å; L350-P396 HydrophobicContact CD2-CG 4.41Å; L350-V401 HydrophobicContact CD2-CB 4.46Å; L350-V401 HydrophobicContact CD2-CG2 4.06Å; L350-F404 HydrophobicContact CD1-CD1 4.01Å; L350-F404 HydrophobicContact CD1-CD2 3.75Å; L350-F404 HydrophobicContact CD1-CE1 3.98Å; L350-F404 HydrophobicContact CD1-CE2 3.71Å; L350-F404 HydrophobicContact CD1-CG 3.9Å; L350-F404 HydrophobicContact CD1-CZ 3.82Å; L350-F404 HydrophobicContact CD2-CB 4Å; L350-F404 HydrophobicContact CD2-CD1 4.32Å; L350-F404 HydrophobicContact CD2-CD2 4.46Å; L350-F404 HydrophobicContact CD2-CG 4.01Å
351V87.3Confident88.1Confident0 Ų042.9 Ų42.90%022%0.218CC..  trans-119.2114.7177-173.20000108.2A353 W354 N355 V379 L390 H394V351-A353 PolarHBondContact O-N 2.86Å; V351-W354 HydrophobicContact CB-CB 4.07Å; V351-W354 HydrophobicContact CB-CD2 4.45Å; V351-W354 HydrophobicContact CB-CE3 4.08Å; V351-W354 HydrophobicContact CB-CG 4.48Å; V351-W354 HydrophobicContact CG1-CB 4.03Å; V351-W354 HydrophobicContact CG1-CD2 3.62Å; V351-W354 HydrophobicContact CG1-CE3 3.4Å; V351-W354 HydrophobicContact CG1-CG 3.91Å; V351-W354 HydrophobicContact CG1-CZ3 3.94Å; V351-W354 HydrophobicContact CG2-CE3 4.4Å; V351-W354 PolarHBondContact O-N 3.1Å; V351-N355 PolarHBondContact N-OD1 3.23Å; V351-N355 PolarHBondContact O-N 3.15Å; V351-N355 PolarHBondContact O-OD1 3.16Å; V351-N355 VanDerWaalsContact O-OD1 3.04Å; V351-V379 HydrophobicContact CB-CG1 4.27Å; V351-V379 HydrophobicContact CG1-CG1 4.13Å; V351-V379 HydrophobicContact CG2-CB 3.9Å; V351-V379 HydrophobicContact CG2-CG1 3.98Å; V351-V379 HydrophobicContact CG2-CG2 4.29Å; V351-L390 HydrophobicContact CG1-CD1 3.74Å; V351-H394 HydrophobicContact CG1-CB 3.89Å
352K86.6Confident88.4Confident64 Ų6434.1 Ų34.128%0.27818%0.177SC..THydrogen-bonded Turntrans-55.9137.8-177.4-178.7171.6178.2161.90110.5W354 H394 P396 E400K352-W354 PolarHBondContact O-N 3.27Å; K352-W354 VanDerWaalsContact O-N 3.12Å; K352-H394 WeakPolarHBondContact CB-O 3.25Å; K352-H394 PolarHBondContact N-O 3.41Å; K352-H394 PolarHBondContact O-CD2 2.85Å; K352-P396 HydrophobicContact CB-CB 4.4Å; K352-E400 WeakPolarHBondContact CE-OE1 3.41Å; K352-E400 IonicContact NZ-OE1 2.6Å; K352-E400 PolarHBondContact NZ-OE1 3.1Å; K352-E400 IonicContact NZ-OE2 2.77Å; K352-E400 PolarHBondContact NZ-OE2 3.24Å
353A83.9Confident88.9Confident73 Ų7333.4 Ų33.460%0.60318%0.175SC*.THydrogen-bonded Turntrans63.31.7-17700000116.5V351V351-A353 PolarHBondContact O-N 2.86Å
354W80.9Confident89.5Confident66 Ų6638 Ų3825%0.2520%0.199CC..THydrogen-bonded Turntrans-110.2-42.4179.6-70.67.8000113.3V195 I318 V351 K352 L390 H394V195-W354 HydrophobicContact CB-CH2 4.47Å; V195-W354 HydrophobicContact CB-CZ3 4.13Å; V195-W354 HydrophobicContact CG2-CE3 4.23Å; V195-W354 HydrophobicContact CG2-CH2 4.19Å; V195-W354 HydrophobicContact CG2-CZ3 3.4Å; I318-W354 HydrophobicContact CD1-CB 4.3Å; I318-W354 HydrophobicContact CG1-CE3 4.12Å; V351-W354 HydrophobicContact CB-CB 4.07Å; V351-W354 HydrophobicContact CB-CD2 4.45Å; V351-W354 HydrophobicContact CB-CE3 4.08Å; V351-W354 HydrophobicContact CB-CG 4.48Å; V351-W354 HydrophobicContact CG1-CB 4.03Å; V351-W354 HydrophobicContact CG1-CD2 3.62Å; V351-W354 HydrophobicContact CG1-CE3 3.4Å; V351-W354 HydrophobicContact CG1-CG 3.91Å; V351-W354 HydrophobicContact CG1-CZ3 3.94Å; V351-W354 HydrophobicContact CG2-CE3 4.4Å; V351-W354 PolarHBondContact O-N 3.1Å; K352-W354 PolarHBondContact O-N 3.27Å; K352-W354 VanDerWaalsContact O-N 3.12Å; W354-L390 HydrophobicContact CH2-CB 4.01Å; W354-L390 HydrophobicContact CH2-CD1 3.83Å; W354-L390 HydrophobicContact CZ3-CD1 3.84Å; W354-H394 AromaticContact CD1-CD2 3.73Å; W354-H394 AromaticContact CD1-NE2 3.99Å; W354-H394 AromaticContact CE2-CD2 3.42Å; W354-H394 VanDerWaalsContact CE2-CD2 3.42Å; W354-H394 AromaticContact CE2-NE2 3.47Å; W354-H394 AromaticContact CZ2-CD2 3.73Å; W354-H394 AromaticContact CZ2-CE1 3.95Å; W354-H394 AromaticContact CZ2-NE2 3.56Å; W354-H394 AromaticContact NE1-CD2 3.08Å; W354-H394 PolarHBondContact NE1-CD2 2.98Å; W354-H394 AromaticContact NE1-NE2 3Å; W354-H394 PolarHBondContact NE1-NE2 3.48Å
355N81.8Confident89.7Confident0 Ų038.2 Ų38.20%020%0.199CC..THydrogen-bonded Turntrans-132.71.7-177.263.36.1000114.1D308 I318 M349 V351 D357 E358 Y362D308-N355 PolarHBondContact O-ND2 3.27Å; I318-N355 HydrophobicContact CD1-CB 4.24Å; M349-N355 PolarHBondContact O-ND2 2.66Å; V351-N355 PolarHBondContact N-OD1 3.23Å; V351-N355 PolarHBondContact O-N 3.15Å; V351-N355 PolarHBondContact O-OD1 3.16Å; V351-N355 VanDerWaalsContact O-OD1 3.04Å; N355-D357 VanDerWaalsContact C-N 3.32Å; N355-D357 PolarHBondContact O-N 3.13Å; N355-E358 PolarHBondContact O-N 2.8Å; N355-Y362 HydrophobicContact CB-CE2 4.36Å; N355-Y362 PolarHBondContact ND2-OH 2.78Å; N355-Y362 WeakPolarHBondContact O-CE2 3.43Å
356V71.7Confident90Very high36 Ų3638.3 Ų38.322%0.21820%0.2CC..THydrogen-bonded Turntrans-64.8-30.9-179.3-66.90000113.8L350 E358L350-V356 HydrophobicContact CD1-CG1 3.85Å; L350-V356 HydrophobicContact CD2-CG1 4.16Å; L350-V356 HydrophobicContact CG-CG1 3.91Å; V356-E358 VanDerWaalsContact C-N 3.32Å; V356-E358 PolarHBondContact O-N 3.43Å
357D80.1Confident89.9Confident138 Ų13842.4 Ų42.474%0.73823%0.229SC*.THydrogen-bonded Turntrans-87.20.9-174.9-57.9-44.3000113.5N355 L359N355-D357 VanDerWaalsContact C-N 3.32Å; N355-D357 PolarHBondContact O-N 3.13Å; D357-L359 PolarHBondContact O-N 3.24Å
358E86.5Confident90Very high37 Ų3744 Ų4417%0.17324%0.239CC..  trans-97.728-172.4-47.8-173.5141.400113.7S310 T311 S314 N355 V356 Q360 A361 Y362S310-E358 PolarHBondContact N-OE2 2.9Å; S310-E358 VanDerWaalsContact N-OE2 3.1Å; S310-E358 WeakPolarHBondContact OG-CB 3.2Å; S310-E358 PolarHBondContact OG-O 2.81Å; S310-E358 PolarHBondContact OG-OE2 2.96Å; T311-E358 HydrophobicContact CG2-CG 4.49Å; T311-E358 WeakPolarHBondContact CG2-OE1 3.37Å; T311-E358 PolarHBondContact OG1-OE1 2.84Å; S314-E358 WeakPolarHBondContact CB-OE1 3.37Å; S314-E358 VanDerWaalsContact OG-CD 3.3Å; S314-E358 PolarHBondContact OG-OE1 3.22Å; S314-E358 PolarHBondContact OG-OE2 2.93Å; N355-E358 PolarHBondContact O-N 2.8Å; V356-E358 VanDerWaalsContact C-N 3.32Å; V356-E358 PolarHBondContact O-N 3.43Å; E358-Q360 PolarHBondContact O-N 2.95Å; E358-A361 HydrophobicContact CB-CB 4.47Å; E358-A361 WeakPolarHBondContact O-CB 3.2Å; E358-A361 PolarHBondContact O-N 2.74Å; E358-Y362 HydrophobicContact CB-CD2 4.31Å; E358-Y362 HydrophobicContact CB-CE2 4.26Å; E358-Y362 WeakPolarHBondContact O-CD2 3.43Å; E358-Y362 PolarHBondContact O-N 3.39Å
359L91.9Very high90.1Very high15 Ų1543.9 Ų43.98%0.07924%0.238CC..Hα-helixtrans-51.8-46.7-172.6-79.3164.5000114.6D357 A361 Y362 A363 F404 E407 L408 L411D357-L359 PolarHBondContact O-N 3.24Å; L359-A361 VanDerWaalsContact C-N 3.28Å; L359-A361 PolarHBondContact O-N 2.9Å; L359-Y362 WeakPolarHBondContact O-CB 3.37Å; L359-Y362 PolarHBondContact O-N 3.46Å; L359-A363 PolarHBondContact O-N 3.4Å; L359-F404 HydrophobicContact CD2-CD2 3.71Å; L359-F404 HydrophobicContact CD2-CE1 4.4Å; L359-F404 HydrophobicContact CD2-CE2 3.48Å; L359-F404 VanDerWaalsContact CD2-CE2 3.48Å; L359-F404 HydrophobicContact CD2-CG 4.27Å; L359-F404 HydrophobicContact CD2-CZ 3.86Å; L359-F404 HydrophobicContact CG-CD2 4.23Å; L359-F404 HydrophobicContact CG-CE2 3.97Å; L359-E407 HydrophobicContact CD1-CB 3.74Å; L359-E407 WeakPolarHBondContact CD1-OE2 3.46Å; L359-E407 HydrophobicContact CD2-CB 4.33Å; L359-L408 HydrophobicContact CD2-CB 3.82Å; L359-L408 HydrophobicContact CD2-CD1 4.42Å; L359-L411 HydrophobicContact CB-CD1 3.91Å
360Q94.1Very high90.4Very high114 Ų11444.8 Ų44.853%0.53324%0.244SC..Hα-helixtrans-64.6-34.4-179.8-70.77514.500111.9E358 A363 Q364 L411E358-Q360 PolarHBondContact O-N 2.95Å; Q360-A363 PolarHBondContact O-N 3.06Å; Q360-Q364 WeakPolarHBondContact O-CG 3.47Å; Q360-Q364 PolarHBondContact O-N 3.15Å; Q360-Q364 VanDerWaalsContact O-N 3.1Å; Q360-L411 HydrophobicContact CG-CD1 4.32Å
361A95.3Very high90.6Very high20 Ų2044.7 Ų44.717%0.16524%0.244CC..Hα-helixtrans-71.6-39.4176.200000110.8S310 T311 E358 L359 A363 Q364 L365S310-A361 VanDerWaalsContact OG-CB 3.24Å; S310-A361 WeakPolarHBondContact OG-CB 3.43Å; T311-A361 HydrophobicContact CG2-CB 4.04Å; E358-A361 HydrophobicContact CB-CB 4.47Å; E358-A361 WeakPolarHBondContact O-CB 3.2Å; E358-A361 PolarHBondContact O-N 2.74Å; L359-A361 VanDerWaalsContact C-N 3.28Å; L359-A361 PolarHBondContact O-N 2.9Å; A361-A363 PolarHBondContact O-N 3.18Å; A361-Q364 WeakPolarHBondContact O-CB 3.08Å; A361-Q364 PolarHBondContact O-N 2.91Å; A361-L365 WeakPolarHBondContact O-CG 3.41Å; A361-L365 PolarHBondContact O-N 2.69Å
362Y97Very high90.6Very high2 Ų245.9 Ų45.91%0.00825%0.25CS..Hα-helixtrans-58.5-45.9170.1-81-71.8000112.2V307 D308 L348 N355 E358 L359 Q364 L365 V366 F404V307-Y362 HydrophobicContact CG1-CD1 4.25Å; V307-Y362 HydrophobicContact CG1-CE1 3.98Å; D308-Y362 PolarHBondContact O-OH 2.77Å; L348-Y362 HydrophobicContact CD2-CD1 3.58Å; L348-Y362 HydrophobicContact CD2-CE1 3.77Å; L348-Y362 HydrophobicContact CD2-CG 4.33Å; L348-Y362 HydrophobicContact CG-CD1 4.12Å; L348-Y362 HydrophobicContact CG-CE1 3.89Å; N355-Y362 HydrophobicContact CB-CE2 4.36Å; N355-Y362 PolarHBondContact ND2-OH 2.78Å; N355-Y362 WeakPolarHBondContact O-CE2 3.43Å; E358-Y362 HydrophobicContact CB-CD2 4.31Å; E358-Y362 HydrophobicContact CB-CE2 4.26Å; E358-Y362 WeakPolarHBondContact O-CD2 3.43Å; E358-Y362 PolarHBondContact O-N 3.39Å; L359-Y362 WeakPolarHBondContact O-CB 3.37Å; L359-Y362 PolarHBondContact O-N 3.46Å; Y362-Q364 VanDerWaalsContact C-N 3.27Å; Y362-Q364 PolarHBondContact O-N 2.84Å; Y362-L365 PolarHBondContact O-N 2.69Å; Y362-L365 VanDerWaalsContact O-N 3.09Å; Y362-V366 WeakPolarHBondContact O-CG2 3.32Å; Y362-V366 PolarHBondContact O-N 3.3Å; Y362-F404 HydrophobicContact CD2-CE2 4.41Å; Y362-F404 AromaticContact CD2-CZ 3.87Å; Y362-F404 HydrophobicContact CD2-CZ 3.87Å; Y362-F404 HydrophobicContact CE2-CZ 4.05Å; Y362-F404 HydrophobicContact CG-CZ 4.43Å
363A96.9Very high90.9Very high9 Ų943.1 Ų43.17%0.07424%0.238CC..Hα-helixtrans-59.3-37.6177.200000112.5L359 Q360 A361 V366 S367 L408 L411 I412L359-A363 PolarHBondContact O-N 3.4Å; Q360-A363 PolarHBondContact O-N 3.06Å; A361-A363 PolarHBondContact O-N 3.18Å; A363-V366 PolarHBondContact O-N 3.44Å; A363-S367 WeakPolarHBondContact O-CB 3.23Å; A363-S367 PolarHBondContact O-N 3.26Å; A363-S367 PolarHBondContact O-OG 2.91Å; A363-L408 HydrophobicContact CB-CD1 4.37Å; A363-L411 HydrophobicContact CB-CB 3.84Å; A363-L411 HydrophobicContact CB-CD1 4.36Å; A363-I412 HydrophobicContact CB-CG2 3.88Å
364Q97.1Very high91.4Very high137 Ų13739.6 Ų39.664%0.6421%0.209SC*.Hα-helixtrans-65.5-41.1173.7-71.3171.518.100112.4Q360 A361 Y362 S367 L368Q360-Q364 WeakPolarHBondContact O-CG 3.47Å; Q360-Q364 PolarHBondContact O-N 3.15Å; Q360-Q364 VanDerWaalsContact O-N 3.1Å; A361-Q364 WeakPolarHBondContact O-CB 3.08Å; A361-Q364 PolarHBondContact O-N 2.91Å; Y362-Q364 VanDerWaalsContact C-N 3.27Å; Y362-Q364 PolarHBondContact O-N 2.84Å; Q364-S367 PolarHBondContact O-N 2.95Å; Q364-L368 WeakPolarHBondContact O-CB 3.37Å; Q364-L368 PolarHBondContact O-N 3.44Å
365L97.5Very high91.9Very high9 Ų936.7 Ų36.75%0.04720%0.198CC..Hα-helixtrans-66.6-40.9175.8-64.6-176000112V307 W327 F330 L331 L334 A361 Y362 S367 L368 G369V307-L365 HydrophobicContact CG1-CD1 3.88Å; W327-L365 HydrophobicContact CH2-CD2 4.29Å; F330-L365 HydrophobicContact CE1-CD1 3.76Å; F330-L365 HydrophobicContact CE1-CD2 4.09Å; F330-L365 HydrophobicContact CZ-CD1 4.08Å; L331-L365 HydrophobicContact CD2-CD2 3.64Å; L334-L365 HydrophobicContact CD1-CB 4.05Å; L334-L365 HydrophobicContact CD1-CD1 4.5Å; L334-L365 HydrophobicContact CD1-CD2 3.87Å; L334-L365 HydrophobicContact CD1-CG 4.35Å; A361-L365 WeakPolarHBondContact O-CG 3.41Å; A361-L365 PolarHBondContact O-N 2.69Å; Y362-L365 PolarHBondContact O-N 2.69Å; Y362-L365 VanDerWaalsContact O-N 3.09Å; L365-S367 VanDerWaalsContact C-N 3.32Å; L365-S367 PolarHBondContact O-N 3.46Å; L365-L368 WeakPolarHBondContact O-CB 3.4Å; L365-L368 PolarHBondContact O-N 2.6Å; L365-L368 VanDerWaalsContact O-N 3.13Å; L365-G369 PolarHBondContact O-N 3.08Å; L365-G369 VanDerWaalsContact O-N 3.17Å
366V97.4Very high92.3Very high2 Ų236.7 Ų36.71%0.01220%0.198CC..Hα-helixtrans-58.6-46.6173.5171.70000110.2Y346 Y362 A363 L368 G369 N370 I374 I412 Y415Y346-V366 HydrophobicContact CD2-CG2 4.33Å; Y362-V366 WeakPolarHBondContact O-CG2 3.32Å; Y362-V366 PolarHBondContact O-N 3.3Å; A363-V366 PolarHBondContact O-N 3.44Å; V366-L368 PolarHBondContact O-N 2.85Å; V366-G369 PolarHBondContact O-N 3.27Å; V366-N370 WeakPolarHBondContact O-CA 3.49Å; V366-N370 PolarHBondContact O-N 2.95Å; V366-I374 HydrophobicContact CB-CD1 4.37Å; V366-I374 HydrophobicContact CG1-CD1 3.75Å; V366-I374 HydrophobicContact CG2-CD1 3.61Å; V366-I412 HydrophobicContact CB-CG2 4.21Å; V366-I412 HydrophobicContact CG1-CD1 4.03Å; V366-I412 HydrophobicContact CG1-CG2 4.01Å; V366-Y415 HydrophobicContact CG1-CD2 4.22Å; V366-Y415 HydrophobicContact CG1-CE2 3.59Å
367S95.6Very high93.1Very high88 Ų8836.4 Ų36.462%0.61519%0.194SC*.Hα-helixtrans-61.5-32.7176.6-58.40000112.7A363 Q364 L365A363-S367 WeakPolarHBondContact O-CB 3.23Å; A363-S367 PolarHBondContact O-N 3.26Å; A363-S367 PolarHBondContact O-OG 2.91Å; Q364-S367 PolarHBondContact O-N 2.95Å; L365-S367 VanDerWaalsContact C-N 3.32Å; L365-S367 PolarHBondContact O-N 3.46Å
368L95.8Very high93.4Very high60 Ų6029.9 Ų29.931%0.31416%0.16SC..Hα-helixtrans-69.3-43.4-179.9-179.165.7000112.8L331 L334 K335 Q364 L365 V366L331-L368 HydrophobicContact CB-CD2 4.23Å; L331-L368 HydrophobicContact CD2-CD2 3.7Å; L334-L368 HydrophobicContact CB-CD2 4.14Å; L334-L368 HydrophobicContact CB-CG 4.48Å; L334-L368 HydrophobicContact CD1-CD2 4.32Å; K335-L368 HydrophobicContact CD-CD1 4.4Å; K335-L368 HydrophobicContact CG-CD1 3.78Å; K335-L368 HydrophobicContact CG-CD2 4.42Å; K335-L368 HydrophobicContact CG-CG 4.08Å; Q364-L368 WeakPolarHBondContact O-CB 3.37Å; Q364-L368 PolarHBondContact O-N 3.44Å; L365-L368 WeakPolarHBondContact O-CB 3.4Å; L365-L368 PolarHBondContact O-N 2.6Å; L365-L368 VanDerWaalsContact O-N 3.13Å; V366-L368 PolarHBondContact O-N 2.85Å
369G94.8Very high93.4Very high0 Ų028.2 Ų28.20%015%0.152CC..Hα-helixtrans-105.6-12.7-176.200000116.5A338 Y346 L365 V366A338-G369 VanDerWaalsContact CA-O 3.26Å; A338-G369 WeakPolarHBondContact CA-O 3.47Å; A338-G369 VanDerWaalsContact CB-O 3.27Å; A338-G369 WeakPolarHBondContact CB-O 3.21Å; Y346-G369 WeakPolarHBondContact OH-CA 3.36Å; L365-G369 PolarHBondContact O-N 3.08Å; L365-G369 VanDerWaalsContact O-N 3.17Å; V366-G369 PolarHBondContact O-N 3.27Å
370N95.5Very high92.8Very high69 Ų6930.1 Ų30.137%0.36916%0.164SC..  trans44.451.6175.8-166.527000114.5V366 Y415 H431V366-N370 WeakPolarHBondContact O-CA 3.49Å; V366-N370 PolarHBondContact O-N 2.95Å; N370-Y415 VanDerWaalsContact C-OH 3.25Å; N370-Y415 WeakPolarHBondContact CA-OH 3.36Å; N370-Y415 PolarHBondContact OD1-OH 2.89Å; N370-H431 PolarHBondContact OD1-CD2 2.8Å; N370-H431 PolarHBondContact OD1-NE2 3.19Å
371P95.6Very high92Very high0 Ų027.2 Ų27.20%015%0.149CC..  trans-63.9157.7-176.132.3-40000111.5T344 Y346 F373 I374 Y415T344-P371 WeakPolarHBondContact OG1-CA 3.4Å; Y346-P371 HydrophobicContact CD1-CB 3.99Å; Y346-P371 HydrophobicContact CD1-CG 4.05Å; Y346-P371 HydrophobicContact CD2-CG 3.69Å; Y346-P371 HydrophobicContact CE1-CB 4.33Å; Y346-P371 HydrophobicContact CE1-CG 4.36Å; Y346-P371 HydrophobicContact CE2-CG 4Å; Y346-P371 HydrophobicContact CG-CB 4.11Å; Y346-P371 HydrophobicContact CG-CG 3.7Å; P371-F373 VanDerWaalsContact C-N 3.32Å; P371-I374 HydrophobicContact CG-CG1 3.93Å; P371-Y415 VanDerWaalsContact CD-OH 3.3Å; P371-Y415 WeakPolarHBondContact CD-OH 3.44Å; P371-Y415 VanDerWaalsContact O-CE1 3.28Å; P371-Y415 WeakPolarHBondContact O-CE1 3.48Å; P371-Y415 PolarHBondContact O-OH 2.97Å
372D87.5Confident90.5Very high25 Ų2527.7 Ų27.713%0.13415%0.15CC..SBendtrans-69.2-34.9175.4-60.5-55.4000111.9R343 T344 H431 K433 T434R343-D372 VanDerWaalsContact CA-OD2 3.29Å; R343-D372 WeakPolarHBondContact CA-OD2 3.46Å; T344-D372 PolarHBondContact N-OD2 3.18Å; T344-D372 WeakPolarHBondContact O-CB 3.33Å; T344-D372 PolarHBondContact O-N 3.02Å; T344-D372 PolarHBondContact OG1-N 2.92Å; T344-D372 VanDerWaalsContact OG1-N 3.14Å; T344-D372 PolarHBondContact OG1-OD2 3.03Å; T344-D372 VanDerWaalsContact OG1-OD2 3.08Å; D372-H431 PolarHBondContact O-N 2.81Å; D372-K433 WeakPolarHBondContact OD1-CE 3.32Å; D372-K433 IonicContact OD1-NZ 3.93Å; D372-K433 PolarHBondContact OD1-NZ 3.48Å; D372-T434 HydrophobicContact CB-CG2 3.91Å
373F91.3Very high88.7Confident5 Ų538.1 Ų38.12%0.02219%0.19CC..EExtended strand (participates in β ladder)trans-136153.7-178.9-54.5-79.5000112T344 V345 Y346 P371 L428 I429 A430 T434 W449 W452T344-F373 PolarHBondContact O-N 3.24Å; T344-F373 VanDerWaalsContact O-N 3.15Å; V345-F373 VanDerWaalsContact CA-O 3.3Å; V345-F373 WeakPolarHBondContact CA-O 3.35Å; V345-F373 HydrophobicContact CB-CB 4.41Å; V345-F373 HydrophobicContact CG1-CB 4.08Å; V345-F373 HydrophobicContact CG2-CB 3.87Å; V345-F373 HydrophobicContact CG2-CD2 4.02Å; V345-F373 HydrophobicContact CG2-CG 4.38Å; Y346-F373 PolarHBondContact N-O 2.56Å; P371-F373 VanDerWaalsContact C-N 3.32Å; F373-L428 HydrophobicContact CB-CD1 3.98Å; F373-L428 HydrophobicContact CD1-CD1 4.3Å; F373-L428 HydrophobicContact CD1-CD2 4.44Å; F373-L428 HydrophobicContact CG-CD1 4.47Å; F373-I429 CarbonylContact C-O 3.53Å; F373-I429 WeakPolarHBondContact CA-O 3.4Å; F373-A430 HydrophobicContact CD1-CB 3.84Å; F373-A430 HydrophobicContact CE1-CB 3.84Å; F373-T434 HydrophobicContact CZ-CG2 4.24Å; F373-W449 HydrophobicContact CE1-CH2 4.42Å; F373-W449 HydrophobicContact CE1-CZ3 4.32Å; F373-W452 HydrophobicContact CD1-CH2 4.49Å; F373-W452 HydrophobicContact CD1-CZ3 4.44Å; F373-W452 HydrophobicContact CD2-CH2 4.46Å; F373-W452 AromaticContact CE1-CH2 3.58Å; F373-W452 HydrophobicContact CE1-CH2 3.58Å; F373-W452 HydrophobicContact CE1-CZ2 4.37Å; F373-W452 AromaticContact CE1-CZ3 3.73Å; F373-W452 HydrophobicContact CE1-CZ3 3.73Å; F373-W452 AromaticContact CE2-CH2 3.55Å; F373-W452 HydrophobicContact CE2-CH2 3.55Å; F373-W452 HydrophobicContact CE2-CZ2 4.3Å; F373-W452 HydrophobicContact CE2-CZ3 4.36Å; F373-W452 AromaticContact CZ-CH2 3.05Å; F373-W452 HydrophobicContact CZ-CH2 3.05Å; F373-W452 AromaticContact CZ-CZ2 3.66Å; F373-W452 HydrophobicContact CZ-CZ2 3.66Å; F373-W452 AromaticContact CZ-CZ3 3.72Å; F373-W452 HydrophobicContact CZ-CZ3 3.72Å
374I95.5Very high86.8Confident0 Ų045.5 Ų45.50%022%0.223CC..EExtended strand (participates in β ladder)trans-129.3115.3171.1-50165.1000107.1Y346 L348 V366 P371 V376 I412 Y415 I429Y346-I374 CarbonylContact O-C 3.54Å; Y346-I374 WeakPolarHBondContact O-CA 3.35Å; L348-I374 HydrophobicContact CD1-CG2 3.55Å; L348-I374 HydrophobicContact CD2-CG2 4.07Å; L348-I374 HydrophobicContact CG-CG2 4.42Å; V366-I374 HydrophobicContact CB-CD1 4.37Å; V366-I374 HydrophobicContact CG1-CD1 3.75Å; V366-I374 HydrophobicContact CG2-CD1 3.61Å; P371-I374 HydrophobicContact CG-CG1 3.93Å; I374-V376 HydrophobicContact CG2-CG2 4.16Å; I374-I412 HydrophobicContact CD1-CD1 3.7Å; I374-Y415 HydrophobicContact CD1-CD1 3.89Å; I374-Y415 HydrophobicContact CD1-CE1 3.85Å; I374-Y415 HydrophobicContact CD1-CG 4.45Å; I374-Y415 HydrophobicContact CG1-CD1 4.43Å; I374-Y415 HydrophobicContact CG1-CE1 4.15Å; I374-I429 HydrophobicContact CB-CB 4.1Å; I374-I429 HydrophobicContact CB-CD1 4.31Å; I374-I429 HydrophobicContact CG2-CD1 4.4Å; I374-I429 PolarHBondContact N-O 3.44Å; I374-I429 PolarHBondContact O-N 2.92Å
375E90.7Very high85Confident4 Ų440.9 Ų40.92%0.01921%0.206CC..EExtended strand (participates in β ladder)trans-95.2116173-73.7178.1179.500108.5Y304 V345 Y346 R347 L348 L428 Q460Y304-E375 WeakPolarHBondContact CE1-OE1 3.48Å; Y304-E375 WeakPolarHBondContact CE1-OE2 3.29Å; Y304-E375 PolarHBondContact OH-OE1 2.89Å; V345-E375 HydrophobicContact CG1-CB 4.41Å; V345-E375 HydrophobicContact CG1-CG 3.98Å; Y346-E375 PolarHBondContact O-N 3.12Å; R347-E375 CarbonylContact C-O 3.55Å; R347-E375 WeakPolarHBondContact CA-O 3.4Å; R347-E375 HydrophobicContact CG-CB 4.46Å; R347-E375 IonicContact CZ-OE2 3.83Å; R347-E375 IonicContact NE-OE2 2.94Å; R347-E375 PolarHBondContact NE-OE2 3.04Å; R347-E375 VanDerWaalsContact NE-OE2 3.14Å; R347-E375 IonicContact NH2-OE2 3.87Å; R347-E375 PolarHBondContact NH2-OE2 3.11Å; L348-E375 PolarHBondContact N-O 3.19Å; E375-L428 HydrophobicContact CG-CD1 3.62Å; E375-Q460 PolarHBondContact OE2-NE2 3.11Å
376V91.1Very high83Confident0 Ų046.8 Ų46.80%025%0.248CC..EExtended strand (participates in β ladder)trans-105.1117.5174.8-172.40000108.4L348 L350 I374 V401 F404 V405 C426 L427 I429L348-V376 HydrophobicContact CB-CG1 4.48Å; L348-V376 HydrophobicContact CB-CG2 4.38Å; L348-V376 HydrophobicContact CD2-CG2 4.22Å; L350-V376 HydrophobicContact CB-CG1 4.48Å; I374-V376 HydrophobicContact CG2-CG2 4.16Å; V376-V401 HydrophobicContact CG1-CG1 3.96Å; V376-F404 HydrophobicContact CG1-CD1 3.94Å; V376-F404 HydrophobicContact CG1-CE1 4.07Å; V376-V405 HydrophobicContact CB-CG2 3.65Å; V376-V405 HydrophobicContact CG1-CG2 3.91Å; V376-V405 HydrophobicContact CG2-CG2 3.76Å; V376-C426 CarbonylContact O-C 3.49Å; V376-C426 VanDerWaalsContact O-CA 3.28Å; V376-C426 WeakPolarHBondContact O-CA 3.28Å; V376-L427 PolarHBondContact N-O 3.38Å; V376-L427 PolarHBondContact O-N 3.28Å; V376-I429 HydrophobicContact CG2-CD1 4.11Å
377K86.9Confident81.1Confident30 Ų3048.3 Ų48.313%0.1326%0.26CS..EExtended strand (participates in β ladder)trans-128.1130.1-175.6-175.7170.11751790111.2L348 M349 L350 V379 N425 C426 Q460L348-K377 PolarHBondContact O-N 3.23Å; M349-K377 CarbonylContact C-O 3.6Å; M349-K377 WeakPolarHBondContact CA-O 3.16Å; L350-K377 PolarHBondContact N-O 2.87Å; K377-V379 PolarHBondContact O-N 2.95Å; K377-N425 WeakPolarHBondContact CA-O 3.46Å; K377-C426 HydrophobicContact CB-CB 4.37Å; K377-C426 HydrophobicContact CG-CB 4.29Å; K377-Q460 PolarHBondContact NZ-O 2.99Å
378G87.6Confident79.8Confident2 Ų245.1 Ų45.12%0.02124%0.238CC..EExtended strand (participates in β ladder)trans-62.7134.2171.700000111.6T380 N425G378-T380 PolarHBondContact O-N 3.43Å; G378-N425 PolarHBondContact N-O 3.47Å
379V85.8Confident78.9Confident2 Ų245.8 Ų45.81%0.01225%0.248CC..PPolyproline II helixtrans-56.9137.9174.567.80000109.6F196 M349 L350 V351 K377 L390 H394 V395F196-V379 HydrophobicContact CB-CG2 3.85Å; M349-V379 HydrophobicContact CG-CB 3.93Å; M349-V379 HydrophobicContact CG-CG2 4.21Å; M349-V379 HydrophobicContact SD-CB 4.17Å; M349-V379 HydrophobicContact SD-CG2 3.78Å; L350-V379 PolarHBondContact O-N 3.31Å; V351-V379 HydrophobicContact CB-CG1 4.27Å; V351-V379 HydrophobicContact CG1-CG1 4.13Å; V351-V379 HydrophobicContact CG2-CB 3.9Å; V351-V379 HydrophobicContact CG2-CG1 3.98Å; V351-V379 HydrophobicContact CG2-CG2 4.29Å; K377-V379 PolarHBondContact O-N 2.95Å; V379-L390 HydrophobicContact CG1-CD1 4.32Å; V379-L390 HydrophobicContact CG2-CD1 4.43Å; V379-L390 HydrophobicContact CG2-CD2 3.91Å; V379-H394 WeakPolarHBondContact CG1-O 3.28Å; V379-V395 HydrophobicContact CG1-CG2 4.47Å; V379-V395 WeakPolarHBondContact O-CG1 3.48Å
380T79.4Confident78.2Confident54 Ų5446.3 Ų46.333%0.33125%0.25SS..PPolyproline II helixtrans-99.7130.2171.2-36.50000109.4G378 C382G378-T380 PolarHBondContact O-N 3.43Å; T380-C382 PolarHBondContact O-SG 3.25Å
381Y77.6Confident77.7Confident53 Ų5345.7 Ų45.721%0.20825%0.249CC..PPolyproline II helixtrans-72133.5176.8179.6-110.4000110.9E384 L390 M392Y381-E384 VanDerWaalsContact OH-CA 3.29Å; Y381-E384 WeakPolarHBondContact OH-CA 3.33Å; Y381-E384 WeakPolarHBondContact OH-CB 3.25Å; Y381-E384 PolarHBondContact OH-N 2.88Å; Y381-E384 VanDerWaalsContact OH-N 3.16Å; Y381-L390 HydrophobicContact CD2-CD2 4.34Å; Y381-L390 HydrophobicContact CD2-CG 4.3Å; Y381-L390 VanDerWaalsContact CE2-O 3.25Å; Y381-L390 WeakPolarHBondContact CE2-O 3.29Å; Y381-M392 WeakPolarHBondContact CB-SD 3.28Å; Y381-M392 HydrophobicContact CD1-CG 3.68Å; Y381-M392 HydrophobicContact CD1-SD 3.55Å; Y381-M392 VanDerWaalsContact CD1-SD 3.55Å; Y381-M392 HydrophobicContact CE1-CG 4.16Å; Y381-M392 HydrophobicContact CG-CG 4.11Å; Y381-M392 HydrophobicContact CG-SD 3.79Å
382C62.8Low77.2Confident30 Ų3051.6 Ų51.620%0.20328%0.278CS..  trans-134.375.2-169.5-57.40000110.4W198 T380 R462W198-C382 HydrophobicContact CD2-CB 3.68Å; W198-C382 HydrophobicContact CE3-CB 4.05Å; W198-C382 HydrophobicContact CG-CB 4.17Å; W198-C382 HydrophobicContact CH2-CB 4.22Å; W198-C382 HydrophobicContact CZ2-CB 3.9Å; W198-C382 WeakPolarHBondContact CZ2-SG 3.34Å; W198-C382 HydrophobicContact CZ3-CB 4.28Å; W198-C382 PolarHBondContact NE1-SG 2.87Å; T380-C382 PolarHBondContact O-SG 3.25Å; C382-R462 PolarHBondContact SG-NH2 3.34Å
383R61.1Low77.2Confident221 Ų22154 Ų5483%0.83430%0.302SS*.  trans53.5155.3179.3-154.7174.5-173.8-137.42.3114.5S385R383-S385 PolarHBondContact O-N 3.32Å
384E55.8Low77.1Confident165 Ų16555.4 Ų55.477%0.77131%0.308SS*.  trans-69.4127.6177.7-151.4163.1-152.100109.7Y381Y381-E384 VanDerWaalsContact OH-CA 3.29Å; Y381-E384 WeakPolarHBondContact OH-CA 3.33Å; Y381-E384 WeakPolarHBondContact OH-CB 3.25Å; Y381-E384 PolarHBondContact OH-N 2.88Å; Y381-E384 VanDerWaalsContact OH-N 3.16Å
385S59.4Low76.8Confident40 Ų4057 Ų5728%0.2832%0.318SS..  trans-124.2141.2171.162.80000108.3R383 A387 S388R383-S385 PolarHBondContact O-N 3.32Å; S385-A387 PolarHBondContact O-N 3.34Å; S385-S388 PolarHBondContact O-N 3.03Å; S385-S388 VanDerWaalsContact OG-CB 3.25Å; S385-S388 WeakPolarHBondContact OG-CB 3.25Å; S385-S388 PolarHBondContact OG-N 3.32Å
386S56Low76.8Confident132 Ų13257 Ų5792%0.92332%0.318SS*.THydrogen-bonded Turntrans-62.6-8.6-177.952.10000114.2
387A56.9Low76.9Confident34 Ų3466 Ų6628%0.28135%0.352SS..THydrogen-bonded Turntrans-117.6-1.6-177.700000115.6H201 R320 S385H201-A387 WeakPolarHBondContact CE1-CB 3.33Å; H201-A387 WeakPolarHBondContact NE2-CB 3.36Å; R320-A387 PolarHBondContact NH1-O 3.11Å; R320-A387 PolarHBondContact NH2-O 2.99Å; S385-A387 PolarHBondContact O-N 3.34Å
388S69Low77Confident22 Ų2265.9 Ų65.915%0.15435%0.352CS..  trans-109.7130.1173.1-170.80000110.4V195 S385 L390V195-S388 WeakPolarHBondContact O-CB 3.28Å; V195-S388 PolarHBondContact O-OG 3.48Å; S385-S388 PolarHBondContact O-N 3.03Å; S385-S388 VanDerWaalsContact OG-CB 3.25Å; S385-S388 WeakPolarHBondContact OG-CB 3.25Å; S385-S388 PolarHBondContact OG-N 3.32Å; S388-L390 VanDerWaalsContact OG-CB 3.26Å; S388-L390 WeakPolarHBondContact OG-CB 3.24Å; S388-L390 PolarHBondContact OG-N 3.14Å
389S76.2Confident77.3Confident73 Ų7373.5 Ų73.551%0.5139%0.387SS..  trans-82.82.3169.654.30000112.5H394S389-H394 PolarHBondContact O-CE1 2.88Å
390L81.2Confident77.7Confident11 Ų1176.5 Ų76.56%0.05840%0.401CS..  trans-68.1136.1177.3-167.975.1000108.9F196 V351 W354 V379 Y381 S388 H394F196-L390 HydrophobicContact CB-CD2 4.16Å; V351-L390 HydrophobicContact CG1-CD1 3.74Å; W354-L390 HydrophobicContact CH2-CB 4.01Å; W354-L390 HydrophobicContact CH2-CD1 3.83Å; W354-L390 HydrophobicContact CZ3-CD1 3.84Å; V379-L390 HydrophobicContact CG1-CD1 4.32Å; V379-L390 HydrophobicContact CG2-CD1 4.43Å; V379-L390 HydrophobicContact CG2-CD2 3.91Å; Y381-L390 HydrophobicContact CD2-CD2 4.34Å; Y381-L390 HydrophobicContact CD2-CG 4.3Å; Y381-L390 VanDerWaalsContact CE2-O 3.25Å; Y381-L390 WeakPolarHBondContact CE2-O 3.29Å; S388-L390 VanDerWaalsContact OG-CB 3.26Å; S388-L390 WeakPolarHBondContact OG-CB 3.24Å; S388-L390 PolarHBondContact OG-N 3.14Å; L390-H394 HydrophobicContact CD1-CB 3.58Å; L390-H394 HydrophobicContact CG-CB 4.45Å
391T84Confident78.3Confident56 Ų5673.9 Ų73.934%0.34439%0.385SS..  trans-137.9170.1177.366.70000109A393 H394T391-A393 PolarHBondContact O-N 3.42Å; T391-A393 VanDerWaalsContact O-N 3.12Å; T391-A393 PolarHBondContact OG1-N 2.93Å; T391-H394 PolarHBondContact N-ND1 3.33Å; T391-H394 WeakPolarHBondContact O-CB 3.29Å; T391-H394 PolarHBondContact O-N 2.82Å; T391-H394 PolarHBondContact OG1-CE1 3.45Å; T391-H394 PolarHBondContact OG1-ND1 3.32Å
392M85.1Confident79.1Confident124 Ų12471.9 Ų71.961%0.61138%0.379SS*.G310 helixtrans-53.8-30.5173.6-79.3-61.7-57.800113.4Y381 H394 V395Y381-M392 WeakPolarHBondContact CB-SD 3.28Å; Y381-M392 HydrophobicContact CD1-CG 3.68Å; Y381-M392 HydrophobicContact CD1-SD 3.55Å; Y381-M392 VanDerWaalsContact CD1-SD 3.55Å; Y381-M392 HydrophobicContact CE1-CG 4.16Å; Y381-M392 HydrophobicContact CG-CG 4.11Å; Y381-M392 HydrophobicContact CG-SD 3.79Å; M392-H394 PolarHBondContact O-N 3.47Å; M392-H394 VanDerWaalsContact O-N 3.16Å; M392-V395 WeakPolarHBondContact O-CB 3.39Å; M392-V395 PolarHBondContact O-N 2.93Å; M392-V395 VanDerWaalsContact O-N 3.08Å; M392-V395 HydrophobicContact SD-CG2 4.32Å
393A87.4Confident80.6Confident76 Ų7674.8 Ų74.863%0.62839%0.389SS*.G310 helixtrans-64.1-18.4177.500000113.8T391T391-A393 PolarHBondContact O-N 3.42Å; T391-A393 VanDerWaalsContact O-N 3.12Å; T391-A393 PolarHBondContact OG1-N 2.93Å
394H89.2Confident82.3Confident34 Ų3464.7 Ų64.716%0.15735%0.351CS..G310 helixtrans-91.2-7.7178.1-60.697.3000113V351 K352 W354 V379 S389 L390 T391 M392 P396V351-H394 HydrophobicContact CG1-CB 3.89Å; K352-H394 WeakPolarHBondContact CB-O 3.25Å; K352-H394 PolarHBondContact N-O 3.41Å; K352-H394 PolarHBondContact O-CD2 2.85Å; W354-H394 AromaticContact CD1-CD2 3.73Å; W354-H394 AromaticContact CD1-NE2 3.99Å; W354-H394 AromaticContact CE2-CD2 3.42Å; W354-H394 VanDerWaalsContact CE2-CD2 3.42Å; W354-H394 AromaticContact CE2-NE2 3.47Å; W354-H394 AromaticContact CZ2-CD2 3.73Å; W354-H394 AromaticContact CZ2-CE1 3.95Å; W354-H394 AromaticContact CZ2-NE2 3.56Å; W354-H394 AromaticContact NE1-CD2 3.08Å; W354-H394 PolarHBondContact NE1-CD2 2.98Å; W354-H394 AromaticContact NE1-NE2 3Å; W354-H394 PolarHBondContact NE1-NE2 3.48Å; V379-H394 WeakPolarHBondContact CG1-O 3.28Å; S389-H394 PolarHBondContact O-CE1 2.88Å; L390-H394 HydrophobicContact CD1-CB 3.58Å; L390-H394 HydrophobicContact CG-CB 4.45Å; T391-H394 PolarHBondContact N-ND1 3.33Å; T391-H394 WeakPolarHBondContact O-CB 3.29Å; T391-H394 PolarHBondContact O-N 2.82Å; T391-H394 PolarHBondContact OG1-CE1 3.45Å; T391-H394 PolarHBondContact OG1-ND1 3.32Å; M392-H394 PolarHBondContact O-N 3.47Å; M392-H394 VanDerWaalsContact O-N 3.16Å; H394-P396 WeakPolarHBondContact O-CD 3.35Å
395V89.5Confident84.2Confident34 Ų3456.8 Ų56.821%0.20631%0.314CS..SBendtrans-77.6117.9173.8176.80000108V379 M392V379-V395 HydrophobicContact CG1-CG2 4.47Å; V379-V395 WeakPolarHBondContact O-CG1 3.48Å; M392-V395 WeakPolarHBondContact O-CB 3.39Å; M392-V395 PolarHBondContact O-N 2.93Å; M392-V395 VanDerWaalsContact O-N 3.08Å; M392-V395 HydrophobicContact SD-CG2 4.32Å
396P90.8Very high85.9Confident3 Ų361.3 Ų61.32%0.01933%0.325CS..PPolyproline II helixtrans-72.7146.1177.330.4-33.7000110.7L350 K352 H394 E400 V401 N425L350-P396 HydrophobicContact CB-CG 4.48Å; L350-P396 HydrophobicContact CD2-CB 4.48Å; L350-P396 HydrophobicContact CD2-CG 4.41Å; K352-P396 HydrophobicContact CB-CB 4.4Å; H394-P396 WeakPolarHBondContact O-CD 3.35Å; P396-E400 WeakPolarHBondContact CA-OE2 3.35Å; P396-E400 HydrophobicContact CB-CB 4.18Å; P396-V401 HydrophobicContact CB-CG2 4.01Å; P396-V401 HydrophobicContact CG-CG2 3.81Å; P396-N425 PolarHBondContact O-ND2 2.84Å
397W92.3Very high87.9Confident190 Ų19059 Ų5972%0.7230%0.3SS*.PPolyproline II helixtrans-68.5161165.1-64.698.8000110.7E399 E400 V401W397-E399 VanDerWaalsContact C-N 3.33Å; W397-E399 PolarHBondContact O-N 3.21Å; W397-E400 HydrophobicContact CB-CG 4.19Å; W397-E400 PolarHBondContact N-OE2 3.4Å; W397-E400 WeakPolarHBondContact O-CB 3.36Å; W397-E400 PolarHBondContact O-N 3.13Å; W397-E400 VanDerWaalsContact O-N 3.12Å; W397-V401 PolarHBondContact O-N 3.29Å
398H89.6Confident89.8Confident27 Ų2757.3 Ų57.313%0.12529%0.286CS..Hα-helixtrans-60.2-44.5-179.1-170.448.9000113.2E400 V401 V402 E420 E422 N425H398-E400 PolarHBondContact O-N 3.47Å; H398-V401 WeakPolarHBondContact O-CB 3.48Å; H398-V401 PolarHBondContact O-N 3.44Å; H398-V402 WeakPolarHBondContact O-CG2 3.43Å; H398-V402 PolarHBondContact O-N 3.07Å; H398-E420 IonicContact CD2-OE1 2.68Å; H398-E420 WeakPolarHBondContact NE2-CG 3.01Å; H398-E420 IonicContact NE2-OE1 3.1Å; H398-E420 PolarHBondContact NE2-OE1 2.73Å; H398-E422 HydrophobicContact CB-CG 4.42Å; H398-N425 VanDerWaalsContact CA-OD1 3.24Å; H398-N425 WeakPolarHBondContact CA-OD1 3.46Å; H398-N425 PolarHBondContact ND1-OD1 3.03Å
399E94.4Very high91Very high162 Ų16257.4 Ų57.476%0.75729%0.286SS*.Hα-helixtrans-57.1-34.2176.1-62.6172.8-178.100112.6W397 V402 Q403W397-E399 VanDerWaalsContact C-N 3.33Å; W397-E399 PolarHBondContact O-N 3.21Å; E399-V402 PolarHBondContact O-N 3.35Å; E399-Q403 WeakPolarHBondContact O-CB 3.36Å; E399-Q403 PolarHBondContact O-N 2.9Å
400E94.1Very high92Very high65 Ų6560.4 Ų60.430%0.30430%0.296SS..Hα-helixtrans-69.9-37.8176.6-62.3179.5124.600111.4K352 P396 W397 H398 F404K352-E400 WeakPolarHBondContact CE-OE1 3.41Å; K352-E400 IonicContact NZ-OE1 2.6Å; K352-E400 PolarHBondContact NZ-OE1 3.1Å; K352-E400 IonicContact NZ-OE2 2.77Å; K352-E400 PolarHBondContact NZ-OE2 3.24Å; P396-E400 WeakPolarHBondContact CA-OE2 3.35Å; P396-E400 HydrophobicContact CB-CB 4.18Å; W397-E400 HydrophobicContact CB-CG 4.19Å; W397-E400 PolarHBondContact N-OE2 3.4Å; W397-E400 WeakPolarHBondContact O-CB 3.36Å; W397-E400 PolarHBondContact O-N 3.13Å; W397-E400 VanDerWaalsContact O-N 3.12Å; H398-E400 PolarHBondContact O-N 3.47Å; E400-F404 WeakPolarHBondContact O-CB 3.26Å; E400-F404 PolarHBondContact O-N 2.84Å
401V92.3Very high92.8Very high0 Ų063.3 Ų63.30%031%0.311CS..Hα-helixtrans-67.9-42.6174.1-172.40000110.5L350 V376 P396 W397 H398 Q403 F404 V405 N425 L427L350-V401 HydrophobicContact CD2-CB 4.46Å; L350-V401 HydrophobicContact CD2-CG2 4.06Å; V376-V401 HydrophobicContact CG1-CG1 3.96Å; P396-V401 HydrophobicContact CB-CG2 4.01Å; P396-V401 HydrophobicContact CG-CG2 3.81Å; W397-V401 PolarHBondContact O-N 3.29Å; H398-V401 WeakPolarHBondContact O-CB 3.48Å; H398-V401 PolarHBondContact O-N 3.44Å; V401-Q403 PolarHBondContact O-N 3.12Å; V401-F404 PolarHBondContact O-N 3.41Å; V401-V405 HydrophobicContact CG1-CG2 4.45Å; V401-V405 WeakPolarHBondContact O-CB 3.13Å; V401-V405 WeakPolarHBondContact O-CG2 3.36Å; V401-V405 PolarHBondContact O-N 3.48Å; V401-N425 WeakPolarHBondContact CG2-OD1 3.27Å; V401-L427 HydrophobicContact CB-CD1 4.16Å; V401-L427 HydrophobicContact CG1-CD1 3.67Å
402V93.3Very high93.4Very high11 Ų1160.8 Ų60.87%0.06730%0.296CS..Hα-helixtrans-59.3-46.6175.4173.60000110.7H398 E399 V405 R406 L427H398-V402 WeakPolarHBondContact O-CG2 3.43Å; H398-V402 PolarHBondContact O-N 3.07Å; E399-V402 PolarHBondContact O-N 3.35Å; V402-V405 PolarHBondContact O-N 3.34Å; V402-R406 VanDerWaalsContact CG1-CZ 3.49Å; V402-R406 WeakPolarHBondContact O-CG 3.44Å; V402-R406 PolarHBondContact O-N 3.11Å; V402-L427 HydrophobicContact CG2-CD1 3.86Å; V402-L427 HydrophobicContact CG2-CD2 4.12Å
403Q95.8Very high93.8Very high90 Ų9058.6 Ų58.642%0.42129%0.291SS..Hα-helixtrans-62.7-47.7179.7-174.959.62600111.5E399 V401 V405 R406 E407E399-Q403 WeakPolarHBondContact O-CB 3.36Å; E399-Q403 PolarHBondContact O-N 2.9Å; V401-Q403 PolarHBondContact O-N 3.12Å; Q403-V405 VanDerWaalsContact C-N 3.28Å; Q403-V405 PolarHBondContact O-N 3.42Å; Q403-R406 PolarHBondContact O-N 3.38Å; Q403-E407 PolarHBondContact NE2-OE1 3.39Å; Q403-E407 WeakPolarHBondContact O-CG 3.39Å; Q403-E407 PolarHBondContact O-N 2.93Å
404F95.9Very high94.1Very high9 Ų959.6 Ų59.64%0.03928%0.283CS..Hα-helixtrans-56.3-43.4175.5176.5-88.6000111.9L350 L359 Y362 V376 E400 V401 E407 L408L350-F404 HydrophobicContact CD1-CD1 4.01Å; L350-F404 HydrophobicContact CD1-CD2 3.75Å; L350-F404 HydrophobicContact CD1-CE1 3.98Å; L350-F404 HydrophobicContact CD1-CE2 3.71Å; L350-F404 HydrophobicContact CD1-CG 3.9Å; L350-F404 HydrophobicContact CD1-CZ 3.82Å; L350-F404 HydrophobicContact CD2-CB 4Å; L350-F404 HydrophobicContact CD2-CD1 4.32Å; L350-F404 HydrophobicContact CD2-CD2 4.46Å; L350-F404 HydrophobicContact CD2-CG 4.01Å; L359-F404 HydrophobicContact CD2-CD2 3.71Å; L359-F404 HydrophobicContact CD2-CE1 4.4Å; L359-F404 HydrophobicContact CD2-CE2 3.48Å; L359-F404 VanDerWaalsContact CD2-CE2 3.48Å; L359-F404 HydrophobicContact CD2-CG 4.27Å; L359-F404 HydrophobicContact CD2-CZ 3.86Å; L359-F404 HydrophobicContact CG-CD2 4.23Å; L359-F404 HydrophobicContact CG-CE2 3.97Å; Y362-F404 HydrophobicContact CD2-CE2 4.41Å; Y362-F404 AromaticContact CD2-CZ 3.87Å; Y362-F404 HydrophobicContact CD2-CZ 3.87Å; Y362-F404 HydrophobicContact CE2-CZ 4.05Å; Y362-F404 HydrophobicContact CG-CZ 4.43Å; V376-F404 HydrophobicContact CG1-CD1 3.94Å; V376-F404 HydrophobicContact CG1-CE1 4.07Å; E400-F404 WeakPolarHBondContact O-CB 3.26Å; E400-F404 PolarHBondContact O-N 2.84Å; V401-F404 PolarHBondContact O-N 3.41Å; F404-E407 PolarHBondContact O-N 3.28Å; F404-L408 HydrophobicContact CE1-CD2 4.13Å; F404-L408 WeakPolarHBondContact O-CB 3.42Å; F404-L408 PolarHBondContact O-N 3.01Å
405V95.4Very high94.4Very high0 Ų058.2 Ų58.20%028%0.276CS..Hα-helixtrans-66.2-41.5-179.7165.80000111.9V376 V401 V402 Q403 L408 V409 I417 L427 I429V376-V405 HydrophobicContact CB-CG2 3.65Å; V376-V405 HydrophobicContact CG1-CG2 3.91Å; V376-V405 HydrophobicContact CG2-CG2 3.76Å; V401-V405 HydrophobicContact CG1-CG2 4.45Å; V401-V405 WeakPolarHBondContact O-CB 3.13Å; V401-V405 WeakPolarHBondContact O-CG2 3.36Å; V401-V405 PolarHBondContact O-N 3.48Å; V402-V405 PolarHBondContact O-N 3.34Å; Q403-V405 VanDerWaalsContact C-N 3.28Å; Q403-V405 PolarHBondContact O-N 3.42Å; V405-L408 PolarHBondContact O-N 2.85Å; V405-V409 HydrophobicContact CG1-CG2 4.44Å; V405-V409 WeakPolarHBondContact O-CB 3.28Å; V405-V409 VanDerWaalsContact O-CG2 3.3Å; V405-V409 WeakPolarHBondContact O-CG2 3.4Å; V405-V409 PolarHBondContact O-N 3.18Å; V405-I417 HydrophobicContact CG1-CD1 3.82Å; V405-I417 HydrophobicContact CG1-CG1 3.82Å; V405-L427 HydrophobicContact CB-CD2 4.08Å; V405-L427 HydrophobicContact CG1-CB 4.24Å; V405-L427 HydrophobicContact CG1-CD2 3.85Å; V405-L427 HydrophobicContact CG2-CB 3.93Å; V405-L427 HydrophobicContact CG2-CD1 4.34Å; V405-L427 HydrophobicContact CG2-CD2 4.29Å; V405-L427 HydrophobicContact CG2-CG 4.41Å; V405-I429 HydrophobicContact CG1-CD1 3.9Å; V405-I429 HydrophobicContact CG1-CG1 3.85Å
406R96.3Very high94.4Very high135 Ų13559.2 Ų59.251%0.50928%0.278SS..Hα-helixtrans-60.7-49.2175.8-73.6175.8-179.8156.73.2111.1V402 Q403 L408 V409 D410 I417V402-R406 VanDerWaalsContact CG1-CZ 3.49Å; V402-R406 WeakPolarHBondContact O-CG 3.44Å; V402-R406 PolarHBondContact O-N 3.11Å; Q403-R406 PolarHBondContact O-N 3.38Å; R406-L408 VanDerWaalsContact C-N 3.32Å; R406-L408 PolarHBondContact O-N 3.13Å; R406-V409 PolarHBondContact O-N 3.36Å; R406-D410 PolarHBondContact O-N 2.96Å; R406-D410 VanDerWaalsContact O-N 3.1Å; R406-I417 HydrophobicContact CG-CD1 4.03Å
407E96.8Very high94.2Very high82 Ų8262.2 Ų62.238%0.38329%0.294SS..Hα-helixtrans-63.9-37178.5-67.7176.7-167.800112.3L359 Q403 F404L359-E407 HydrophobicContact CD1-CB 3.74Å; L359-E407 WeakPolarHBondContact CD1-OE2 3.46Å; L359-E407 HydrophobicContact CD2-CB 4.33Å; Q403-E407 PolarHBondContact NE2-OE1 3.39Å; Q403-E407 WeakPolarHBondContact O-CG 3.39Å; Q403-E407 PolarHBondContact O-N 2.93Å; F404-E407 PolarHBondContact O-N 3.28Å
408L96.5Very high93.5Very high0 Ų053.7 Ų53.70%026%0.264CS..Hα-helixtrans-64.2-49.3174.5179.859.6000110.8L348 L359 A363 F404 V405 R406 D410 L411 I412 I429L348-L408 HydrophobicContact CD2-CD2 4.27Å; L359-L408 HydrophobicContact CD2-CB 3.82Å; L359-L408 HydrophobicContact CD2-CD1 4.42Å; A363-L408 HydrophobicContact CB-CD1 4.37Å; F404-L408 HydrophobicContact CE1-CD2 4.13Å; F404-L408 WeakPolarHBondContact O-CB 3.42Å; F404-L408 PolarHBondContact O-N 3.01Å; V405-L408 PolarHBondContact O-N 2.85Å; R406-L408 VanDerWaalsContact C-N 3.32Å; R406-L408 PolarHBondContact O-N 3.13Å; L408-D410 VanDerWaalsContact C-N 3.25Å; L408-D410 PolarHBondContact O-N 3.2Å; L408-L411 WeakPolarHBondContact O-CA 3.19Å; L408-L411 WeakPolarHBondContact O-CB 3.09Å; L408-L411 PolarHBondContact O-N 3.27Å; L408-I412 HydrophobicContact CG-CD1 4.16Å; L408-I412 WeakPolarHBondContact O-CG1 3.26Å; L408-I412 PolarHBondContact O-N 3.48Å; L408-I429 HydrophobicContact CD2-CD1 4.17Å
409V96.1Very high92.9Very high23 Ų2353.5 Ų53.514%0.13927%0.265CS..Hα-helixtrans-59.7-35.2-178.8168.70000112V405 R406 L411 I412 I417 I429V405-V409 HydrophobicContact CG1-CG2 4.44Å; V405-V409 WeakPolarHBondContact O-CB 3.28Å; V405-V409 VanDerWaalsContact O-CG2 3.3Å; V405-V409 WeakPolarHBondContact O-CG2 3.4Å; V405-V409 PolarHBondContact O-N 3.18Å; R406-V409 PolarHBondContact O-N 3.36Å; V409-L411 PolarHBondContact O-N 3.46Å; V409-I412 CarbonylContact O-C 3.55Å; V409-I412 PolarHBondContact O-N 3.27Å; V409-I412 VanDerWaalsContact O-N 3.1Å; V409-I417 HydrophobicContact CG2-CG1 3.98Å; V409-I429 HydrophobicContact CG2-CD1 3.87Å; V409-I429 HydrophobicContact CG2-CG1 4.04Å; V409-I429 HydrophobicContact CG2-CG2 3.84Å
410D96.8Very high92.3Very high137 Ų13750.6 Ų50.673%0.73325%0.251SS*.Hα-helixtrans-60.8-25173.8-72.5-20.3000113R406 L408R406-D410 PolarHBondContact O-N 2.96Å; R406-D410 VanDerWaalsContact O-N 3.1Å; L408-D410 VanDerWaalsContact C-N 3.25Å; L408-D410 PolarHBondContact O-N 3.2Å
411L97.4Very high91.4Very high72 Ų7251.4 Ų51.438%0.37726%0.255SS..Hα-helixtrans-90.8-13.4177.3-59.2174.8000113.9L359 Q360 A363 L408 V409L359-L411 HydrophobicContact CB-CD1 3.91Å; Q360-L411 HydrophobicContact CG-CD1 4.32Å; A363-L411 HydrophobicContact CB-CB 3.84Å; A363-L411 HydrophobicContact CB-CD1 4.36Å; L408-L411 WeakPolarHBondContact O-CA 3.19Å; L408-L411 WeakPolarHBondContact O-CB 3.09Å; L408-L411 PolarHBondContact O-N 3.27Å; V409-L411 PolarHBondContact O-N 3.46Å
412I96.5Very high90.8Very high2 Ų258 Ų581%0.0129%0.286CS..  trans-126.873.8-17854169.9000110.9A363 V366 I374 L408 V409 E414 Y415A363-I412 HydrophobicContact CB-CG2 3.88Å; V366-I412 HydrophobicContact CB-CG2 4.21Å; V366-I412 HydrophobicContact CG1-CD1 4.03Å; V366-I412 HydrophobicContact CG1-CG2 4.01Å; I374-I412 HydrophobicContact CD1-CD1 3.7Å; L408-I412 HydrophobicContact CG-CD1 4.16Å; L408-I412 WeakPolarHBondContact O-CG1 3.26Å; L408-I412 PolarHBondContact O-N 3.48Å; V409-I412 CarbonylContact O-C 3.55Å; V409-I412 PolarHBondContact O-N 3.27Å; V409-I412 VanDerWaalsContact O-N 3.1Å; I412-E414 PolarHBondContact O-N 3.14Å; I412-Y415 HydrophobicContact CB-CD2 3.98Å; I412-Y415 HydrophobicContact CD1-CD2 3.9Å; I412-Y415 HydrophobicContact CD1-CG 3.83Å; I412-Y415 HydrophobicContact CG1-CD2 4.2Å; I412-Y415 HydrophobicContact CG1-CG 4.36Å; I412-Y415 WeakPolarHBondContact O-CB 3.36Å; I412-Y415 PolarHBondContact O-N 3.17Å
413P93.9Very high89.8Confident79 Ų7964 Ų6451%0.51331%0.313SS..THydrogen-bonded Turntrans-62-17-167.625.2-34.6000114.9Y415 R432P413-Y415 PolarHBondContact O-N 3.33Å; P413-R432 VanDerWaalsContact O-CZ 3.31Å; P413-R432 PolarHBondContact O-NE 2.97Å; P413-R432 PolarHBondContact O-NH2 3.44Å
414E93.9Very high88.4Confident97 Ų9760.8 Ų60.845%0.45330%0.301SS..THydrogen-bonded Turntrans-74-6.6175.6-58.674.5-162.500113.9I412 H431 R432I412-E414 PolarHBondContact O-N 3.14Å; E414-H431 PolarHBondContact O-ND1 2.99Å; E414-H431 VanDerWaalsContact O-ND1 3.13Å; E414-R432 WeakPolarHBondContact O-CB 3.48Å; E414-R432 VanDerWaalsContact O-CG 3.24Å; E414-R432 WeakPolarHBondContact O-CG 3.38Å; E414-R432 PolarHBondContact O-N 3.14Å
415Y94.2Very high87.8Confident5 Ų561.6 Ų61.62%0.0231%0.305CS..EExtended strand (participates in β ladder)trans-115.6159.3-176.9-70.5-98.1000111.8V366 N370 P371 I374 I412 P413 I429 A430 H431V366-Y415 HydrophobicContact CG1-CD2 4.22Å; V366-Y415 HydrophobicContact CG1-CE2 3.59Å; N370-Y415 VanDerWaalsContact C-OH 3.25Å; N370-Y415 WeakPolarHBondContact CA-OH 3.36Å; N370-Y415 PolarHBondContact OD1-OH 2.89Å; P371-Y415 VanDerWaalsContact CD-OH 3.3Å; P371-Y415 WeakPolarHBondContact CD-OH 3.44Å; P371-Y415 VanDerWaalsContact O-CE1 3.28Å; P371-Y415 WeakPolarHBondContact O-CE1 3.48Å; P371-Y415 PolarHBondContact O-OH 2.97Å; I374-Y415 HydrophobicContact CD1-CD1 3.89Å; I374-Y415 HydrophobicContact CD1-CE1 3.85Å; I374-Y415 HydrophobicContact CD1-CG 4.45Å; I374-Y415 HydrophobicContact CG1-CD1 4.43Å; I374-Y415 HydrophobicContact CG1-CE1 4.15Å; I412-Y415 HydrophobicContact CB-CD2 3.98Å; I412-Y415 HydrophobicContact CD1-CD2 3.9Å; I412-Y415 HydrophobicContact CD1-CG 3.83Å; I412-Y415 HydrophobicContact CG1-CD2 4.2Å; I412-Y415 HydrophobicContact CG1-CG 4.36Å; I412-Y415 WeakPolarHBondContact O-CB 3.36Å; I412-Y415 PolarHBondContact O-N 3.17Å; P413-Y415 PolarHBondContact O-N 3.33Å; Y415-I429 HydrophobicContact CD1-CG2 4.02Å; Y415-I429 HydrophobicContact CG-CG2 4.26Å; Y415-A430 CarbonylContact C-O 3.51Å; Y415-A430 VanDerWaalsContact CA-O 3.32Å; Y415-A430 WeakPolarHBondContact CA-O 3.47Å; Y415-H431 HydrophobicContact CD1-CB 3.91Å; Y415-H431 HydrophobicContact CE1-CB 3.57Å; Y415-H431 AromaticContact CZ-CD2 3.86Å
416E89.7Confident87.3Confident55 Ų5562 Ų6226%0.25731%0.308SS..EExtended strand (participates in β ladder)trans-144.6153.6174.662.9-179.4-157.500111.2A418 I429 A430 V435E416-A418 PolarHBondContact O-N 3.44Å; E416-I429 CarbonylContact O-C 3.58Å; E416-I429 VanDerWaalsContact O-CA 3.31Å; E416-I429 WeakPolarHBondContact O-CA 3.23Å; E416-I429 VanDerWaalsContact O-CG2 3.31Å; E416-I429 WeakPolarHBondContact O-CG2 3.4Å; E416-A430 PolarHBondContact N-O 2.82Å; E416-A430 PolarHBondContact O-N 2.85Å; E416-V435 HydrophobicContact CG-CG2 4.43Å; E416-V435 VanDerWaalsContact OE1-CG1 3.29Å; E416-V435 WeakPolarHBondContact OE1-CG1 3.24Å; E416-V435 WeakPolarHBondContact OE1-CG2 3.34Å
417I86.3Confident86.8Confident66 Ų6655.6 Ų55.634%0.33828%0.284SS..EExtended strand (participates in β ladder)trans-68.2118.6173.2-57.5176.4000107.8V405 R406 V409 L427V405-I417 HydrophobicContact CG1-CD1 3.82Å; V405-I417 HydrophobicContact CG1-CG1 3.82Å; R406-I417 HydrophobicContact CG-CD1 4.03Å; V409-I417 HydrophobicContact CG2-CG1 3.98Å; I417-L427 HydrophobicContact CG2-CD2 4.38Å
418A79.2Confident86.3Confident11 Ų1152 Ų529%0.09127%0.267CS..EExtended strand (participates in β ladder)trans-89.4-40.8179.100000111.6E416 L428 A430 W449E416-A418 PolarHBondContact O-N 3.44Å; A418-L428 HydrophobicContact CB-CB 4.46Å; A418-L428 HydrophobicContact CB-CD2 4.16Å; A418-L428 HydrophobicContact CB-CG 4.21Å; A418-L428 PolarHBondContact N-O 2.83Å; A418-A430 HydrophobicContact CB-CB 3.91Å; A418-W449 HydrophobicContact CB-CD2 3.81Å; A418-W449 HydrophobicContact CB-CE3 3.83Å; A418-W449 HydrophobicContact CB-CG 4.4Å; A418-W449 HydrophobicContact CB-CH2 4.03Å; A418-W449 HydrophobicContact CB-CZ2 3.95Å; A418-W449 HydrophobicContact CB-CZ3 3.97Å
419C76.6Confident86Confident23 Ų2352 Ų5216%0.15527%0.267CS..EExtended strand (participates in β ladder)trans-165.7172.5174.3700000114.6L427 L428 I453 L457C419-L427 WeakPolarHBondContact O-CA 3.43Å; C419-L428 PolarHBondContact N-O 2.89Å; C419-L428 PolarHBondContact O-N 2.92Å; C419-L428 WeakPolarHBondContact SG-CB 3.47Å; C419-I453 HydrophobicContact CB-CD1 3.12Å; C419-I453 HydrophobicContact CB-CG1 4.4Å; C419-I453 WeakPolarHBondContact SG-CD1 3.24Å; C419-L457 WeakPolarHBondContact SG-CD1 3.27Å
420E81.1Confident85.5Confident100 Ų10050.9 Ų50.947%0.46726%0.26SS..EExtended strand (participates in β ladder)trans-125.8142.6176.4-174.7176.212500110H398 L427H398-E420 IonicContact CD2-OE1 2.68Å; H398-E420 WeakPolarHBondContact NE2-CG 3.01Å; H398-E420 IonicContact NE2-OE1 3.1Å; H398-E420 PolarHBondContact NE2-OE1 2.73Å; E420-L427 HydrophobicContact CB-CD2 4.45Å; E420-L427 HydrophobicContact CB-CG 4.3Å; E420-L427 HydrophobicContact CG-CD1 4.48Å; E420-L427 HydrophobicContact CG-CD2 4.37Å; E420-L427 HydrophobicContact CG-CG 4.1Å
421H76.1Confident85.2Confident83 Ų8345.4 Ų45.438%0.38423%0.23SC..EExtended strand (participates in β ladder)trans-135.885.5172.3-169.6-101.2000109.9H423 S424 N425 C426H421-H423 VanDerWaalsContact C-N 3.31Å; H421-H423 PolarHBondContact O-N 3.1Å; H421-S424 PolarHBondContact CE1-OG 3.3Å; H421-S424 VanDerWaalsContact ND1-CB 3.28Å; H421-S424 WeakPolarHBondContact ND1-CB 3.47Å; H421-S424 PolarHBondContact ND1-N 3.48Å; H421-S424 PolarHBondContact ND1-OG 3.36Å; H421-S424 PolarHBondContact O-N 2.9Å; H421-S424 VanDerWaalsContact O-N 3.16Å; H421-N425 PolarHBondContact O-N 3.03Å; H421-C426 PolarHBondContact N-O 2.94Å; H421-C426 PolarHBondContact O-N 3.46Å
422E77.9Confident84.7Confident139 Ų13948 Ų4865%0.6524%0.235SC*.G310 helixtrans-51.9-45.4-176.5-178.5176.5-166.700112.7H398 S424 N425H398-E422 HydrophobicContact CB-CG 4.42Å; E422-S424 PolarHBondContact O-N 3.24Å; E422-S424 VanDerWaalsContact O-N 3.15Å; E422-N425 WeakPolarHBondContact O-CA 3.44Å; E422-N425 PolarHBondContact O-N 3.29Å
423H72.8Confident84Confident136 Ų13652.6 Ų52.663%0.6326%0.255SS*.G310 helixtrans-62.4-27.9-176.2-170.962000113.9H421H421-H423 VanDerWaalsContact C-N 3.31Å; H421-H423 PolarHBondContact O-N 3.1Å
424S67.9Low82.6Confident23 Ų2351.1 Ų51.116%0.16124%0.244CC..G310 helixtrans-102.18.5174.2-55.90000113.3H421 E422 C426H421-S424 PolarHBondContact CE1-OG 3.3Å; H421-S424 VanDerWaalsContact ND1-CB 3.28Å; H421-S424 WeakPolarHBondContact ND1-CB 3.47Å; H421-S424 PolarHBondContact ND1-N 3.48Å; H421-S424 PolarHBondContact ND1-OG 3.36Å; H421-S424 PolarHBondContact O-N 2.9Å; H421-S424 VanDerWaalsContact O-N 3.16Å; E422-S424 PolarHBondContact O-N 3.24Å; E422-S424 VanDerWaalsContact O-N 3.15Å; S424-C426 VanDerWaalsContact C-N 3.31Å; S424-C426 PolarHBondContact O-N 2.77Å
425N82.8Confident80.6Confident25 Ų2547.4 Ų47.413%0.13423%0.228CC..THydrogen-bonded Turntrans46.153.7-175.3-167.313.1000112.4K377 G378 P396 H398 V401 H421 E422K377-N425 WeakPolarHBondContact CA-O 3.46Å; G378-N425 PolarHBondContact N-O 3.47Å; P396-N425 PolarHBondContact O-ND2 2.84Å; H398-N425 VanDerWaalsContact CA-OD1 3.24Å; H398-N425 WeakPolarHBondContact CA-OD1 3.46Å; H398-N425 PolarHBondContact ND1-OD1 3.03Å; V401-N425 WeakPolarHBondContact CG2-OD1 3.27Å; H421-N425 PolarHBondContact O-N 3.03Å; E422-N425 WeakPolarHBondContact O-CA 3.44Å; E422-N425 PolarHBondContact O-N 3.29Å
426C83.9Confident78Confident8 Ų853 Ų535%0.05426%0.258CS..EExtended strand (participates in β ladder)trans-137141.4-169.8-170.40000111.1V376 K377 H421 S424V376-C426 CarbonylContact O-C 3.49Å; V376-C426 VanDerWaalsContact O-CA 3.28Å; V376-C426 WeakPolarHBondContact O-CA 3.28Å; K377-C426 HydrophobicContact CB-CB 4.37Å; K377-C426 HydrophobicContact CG-CB 4.29Å; H421-C426 PolarHBondContact N-O 2.94Å; H421-C426 PolarHBondContact O-N 3.46Å; S424-C426 VanDerWaalsContact C-N 3.31Å; S424-C426 PolarHBondContact O-N 2.77Å
427L87Confident75.4Confident2 Ų254 Ų541%0.0128%0.284CS..EExtended strand (participates in β ladder)trans-124.9148169.3-7491.3000110V376 V401 V402 V405 I417 C419 E420V376-L427 PolarHBondContact N-O 3.38Å; V376-L427 PolarHBondContact O-N 3.28Å; V401-L427 HydrophobicContact CB-CD1 4.16Å; V401-L427 HydrophobicContact CG1-CD1 3.67Å; V402-L427 HydrophobicContact CG2-CD1 3.86Å; V402-L427 HydrophobicContact CG2-CD2 4.12Å; V405-L427 HydrophobicContact CB-CD2 4.08Å; V405-L427 HydrophobicContact CG1-CB 4.24Å; V405-L427 HydrophobicContact CG1-CD2 3.85Å; V405-L427 HydrophobicContact CG2-CB 3.93Å; V405-L427 HydrophobicContact CG2-CD1 4.34Å; V405-L427 HydrophobicContact CG2-CD2 4.29Å; V405-L427 HydrophobicContact CG2-CG 4.41Å; I417-L427 HydrophobicContact CG2-CD2 4.38Å; C419-L427 WeakPolarHBondContact O-CA 3.43Å; E420-L427 HydrophobicContact CB-CD2 4.45Å; E420-L427 HydrophobicContact CB-CG 4.3Å; E420-L427 HydrophobicContact CG-CD1 4.48Å; E420-L427 HydrophobicContact CG-CD2 4.37Å; E420-L427 HydrophobicContact CG-CG 4.1Å
428L85Confident73Confident5 Ų552.6 Ų52.63%0.02629%0.285CS..EExtended strand (participates in β ladder)trans-111.2128.5174.3-175.669000109.2F373 E375 A418 C419 L457F373-L428 HydrophobicContact CB-CD1 3.98Å; F373-L428 HydrophobicContact CD1-CD1 4.3Å; F373-L428 HydrophobicContact CD1-CD2 4.44Å; F373-L428 HydrophobicContact CG-CD1 4.47Å; E375-L428 HydrophobicContact CG-CD1 3.62Å; A418-L428 HydrophobicContact CB-CB 4.46Å; A418-L428 HydrophobicContact CB-CD2 4.16Å; A418-L428 HydrophobicContact CB-CG 4.21Å; A418-L428 PolarHBondContact N-O 2.83Å; C419-L428 PolarHBondContact N-O 2.89Å; C419-L428 PolarHBondContact O-N 2.92Å; C419-L428 WeakPolarHBondContact SG-CB 3.47Å; L428-L457 HydrophobicContact CB-CD1 4.48Å; L428-L457 HydrophobicContact CD2-CD1 4.25Å; L428-L457 HydrophobicContact CD2-CG 4.48Å
429I90.6Very high70.5Confident0 Ų057.8 Ų57.80%032%0.316CS..EExtended strand (participates in β ladder)trans-109.4136.9170.4-52165.7000107.1F373 I374 V376 V405 L408 V409 Y415 E416F373-I429 CarbonylContact C-O 3.53Å; F373-I429 WeakPolarHBondContact CA-O 3.4Å; I374-I429 HydrophobicContact CB-CB 4.1Å; I374-I429 HydrophobicContact CB-CD1 4.31Å; I374-I429 HydrophobicContact CG2-CD1 4.4Å; I374-I429 PolarHBondContact N-O 3.44Å; I374-I429 PolarHBondContact O-N 2.92Å; V376-I429 HydrophobicContact CG2-CD1 4.11Å; V405-I429 HydrophobicContact CG1-CD1 3.9Å; V405-I429 HydrophobicContact CG1-CG1 3.85Å; L408-I429 HydrophobicContact CD2-CD1 4.17Å; V409-I429 HydrophobicContact CG2-CD1 3.87Å; V409-I429 HydrophobicContact CG2-CG1 4.04Å; V409-I429 HydrophobicContact CG2-CG2 3.84Å; Y415-I429 HydrophobicContact CD1-CG2 4.02Å; Y415-I429 HydrophobicContact CG-CG2 4.26Å; E416-I429 CarbonylContact O-C 3.58Å; E416-I429 VanDerWaalsContact O-CA 3.31Å; E416-I429 WeakPolarHBondContact O-CA 3.23Å; E416-I429 VanDerWaalsContact O-CG2 3.31Å; E416-I429 WeakPolarHBondContact O-CG2 3.4Å
430A86.6Confident68.1Low0 Ų063 Ų630%035%0.349CS..EExtended strand (participates in β ladder)trans-120.3143.8178.100000111.3F373 Y415 E416 A418 W449F373-A430 HydrophobicContact CD1-CB 3.84Å; F373-A430 HydrophobicContact CE1-CB 3.84Å; Y415-A430 CarbonylContact C-O 3.51Å; Y415-A430 VanDerWaalsContact CA-O 3.32Å; Y415-A430 WeakPolarHBondContact CA-O 3.47Å; E416-A430 PolarHBondContact N-O 2.82Å; E416-A430 PolarHBondContact O-N 2.85Å; A418-A430 HydrophobicContact CB-CB 3.91Å; A430-W449 HydrophobicContact CB-CH2 3.33Å; A430-W449 HydrophobicContact CB-CZ2 3.78Å; A430-W449 HydrophobicContact CB-CZ3 4.16Å
431H90.1Very high65.7Low23 Ų2361.7 Ų61.711%0.10636%0.363CS..EExtended strand (participates in β ladder)trans-70.8131.4170.7-171.6-28.6000109.6N370 D372 E414 Y415 K433 T434N370-H431 PolarHBondContact OD1-CD2 2.8Å; N370-H431 PolarHBondContact OD1-NE2 3.19Å; D372-H431 PolarHBondContact O-N 2.81Å; E414-H431 PolarHBondContact O-ND1 2.99Å; E414-H431 VanDerWaalsContact O-ND1 3.13Å; Y415-H431 HydrophobicContact CD1-CB 3.91Å; Y415-H431 HydrophobicContact CE1-CB 3.57Å; Y415-H431 AromaticContact CZ-CD2 3.86Å; H431-K433 HydrophobicContact CB-CG 4.17Å; H431-K433 PolarHBondContact ND1-N 2.87Å; H431-K433 PolarHBondContact O-N 3.22Å; H431-T434 WeakPolarHBondContact O-CB 3.31Å; H431-T434 PolarHBondContact O-N 3.47Å; H431-T434 PolarHBondContact O-OG1 3.26Å
432R86.8Confident63.6Low126 Ų12665.6 Ų65.648%0.47538%0.381SS..Hα-helixtrans-47.5-30.6177.6-70.3174.8-170.1-1243.4115.1P413 E414 T434 V435 L436P413-R432 VanDerWaalsContact O-CZ 3.31Å; P413-R432 PolarHBondContact O-NE 2.97Å; P413-R432 PolarHBondContact O-NH2 3.44Å; E414-R432 WeakPolarHBondContact O-CB 3.48Å; E414-R432 VanDerWaalsContact O-CG 3.24Å; E414-R432 WeakPolarHBondContact O-CG 3.38Å; E414-R432 PolarHBondContact O-N 3.14Å; R432-T434 PolarHBondContact O-N 3.19Å; R432-V435 WeakPolarHBondContact O-CB 3.34Å; R432-V435 PolarHBondContact O-N 2.89Å; R432-V435 VanDerWaalsContact O-N 3.12Å; R432-L436 WeakPolarHBondContact O-CG 3.38Å; R432-L436 PolarHBondContact O-N 2.99Å; R432-L436 VanDerWaalsContact O-N 3.1Å
433K81.3Confident61.4Low98 Ų9862 Ų6243%0.42638%0.382SS..Hα-helixtrans-61.1-29.4175.575-174.2177.4-170.30113.1D372 H431 V435D372-K433 WeakPolarHBondContact OD1-CE 3.32Å; D372-K433 IonicContact OD1-NZ 3.93Å; D372-K433 PolarHBondContact OD1-NZ 3.48Å; H431-K433 HydrophobicContact CB-CG 4.17Å; H431-K433 PolarHBondContact ND1-N 2.87Å; H431-K433 PolarHBondContact O-N 3.22Å; K433-V435 VanDerWaalsContact C-N 3.34Å
434T65.2Low59.8Low48 Ų4858.7 Ų58.729%0.29437%0.37SS..Hα-helixtrans-80.9-22179.366.40000112.1D372 F373 H431 R432D372-T434 HydrophobicContact CB-CG2 3.91Å; F373-T434 HydrophobicContact CZ-CG2 4.24Å; H431-T434 WeakPolarHBondContact O-CB 3.31Å; H431-T434 PolarHBondContact O-N 3.47Å; H431-T434 PolarHBondContact O-OG1 3.26Å; R432-T434 PolarHBondContact O-N 3.19Å
435V51.6Low58.2Low19 Ų1962.3 Ų62.312%0.11539%0.392CS..Hα-helixtrans-82.9-37.3-179.7-164.80000110.9E416 R432 K433 G437 V444 W449E416-V435 HydrophobicContact CG-CG2 4.43Å; E416-V435 VanDerWaalsContact OE1-CG1 3.29Å; E416-V435 WeakPolarHBondContact OE1-CG1 3.24Å; E416-V435 WeakPolarHBondContact OE1-CG2 3.34Å; R432-V435 WeakPolarHBondContact O-CB 3.34Å; R432-V435 PolarHBondContact O-N 2.89Å; R432-V435 VanDerWaalsContact O-N 3.12Å; K433-V435 VanDerWaalsContact C-N 3.34Å; V435-G437 PolarHBondContact O-N 2.86Å; V435-G437 VanDerWaalsContact O-N 3.14Å; V435-V444 HydrophobicContact CG1-CB 4.34Å; V435-V444 HydrophobicContact CG1-CG1 3.78Å; V435-V444 HydrophobicContact CG1-CG2 4.04Å; V435-W449 HydrophobicContact CB-CZ2 4.21Å; V435-W449 HydrophobicContact CG1-CZ2 4.01Å; V435-W449 HydrophobicContact CG2-CH2 3.95Å; V435-W449 HydrophobicContact CG2-CZ2 3.44Å; V435-W449 VanDerWaalsContact CG2-CZ2 3.44Å
436L39.5Very low56Low123 Ų12369.6 Ų69.664%0.64443%0.425SS*.THydrogen-bonded Turntrans-81.217.3-177.8-65.1170000114.5R432 G438R432-L436 WeakPolarHBondContact O-CG 3.38Å; R432-L436 PolarHBondContact O-N 2.99Å; R432-L436 VanDerWaalsContact O-N 3.1Å; L436-G438 PolarHBondContact O-N 2.9Å
437G35.5Very low53.6Low77 Ų7775.5 Ų75.579%0.79446%0.455SS*.THydrogen-bonded Turntrans-72-8.1166.900000113.8V435V435-G437 PolarHBondContact O-N 2.86Å; V435-G437 VanDerWaalsContact O-N 3.14Å
438G36.3Very low51.3Low36 Ų3681.9 Ų81.937%0.37148%0.484SS..SBendtrans-90.8135.316400000110.8L436L436-G438 PolarHBondContact O-N 2.9Å
439T25.6Very low49.1Very low119 Ų11983 Ų8373%0.7349%0.489SS*.  trans-35.2137.5-179.432.60000115.4G441T439-G441 PolarHBondContact O-N 3.37Å
440P26.9Very low46.4Very low132 Ų13288.8 Ų88.886%0.85752%0.515SS*.THydrogen-bonded Turntrans-65.1125.8179.6-4.315.3000111.1
441G31.2Very low43.9Very low73 Ų7395.1 Ų95.175%0.75355%0.545SS*.THydrogen-bonded Turntrans127.8-2.6168.400000116.4T439T439-G441 PolarHBondContact O-N 3.37Å
442H30.7Very low41.4Very low165 Ų16598 Ų9876%0.76456%0.555SS**SBendtrans-112119.7167.2-74.148.9000107.7V444H442-V444 PolarHBondContact O-N 2.87Å
443G32.1Very low39.3Very low65 Ų6593.4 Ų93.467%0.6754%0.54SS*.  trans-51.8131.7175.100000109.4T445G443-T445 PolarHBondContact O-N 3.32Å
444V39.3Very low37.1Very low65 Ų6592.8 Ų92.839%0.39454%0.537SS..  trans-72.378.6176.9-175.70000106.9V435 H442 E446V435-V444 HydrophobicContact CG1-CB 4.34Å; V435-V444 HydrophobicContact CG1-CG1 3.78Å; V435-V444 HydrophobicContact CG1-CG2 4.04Å; H442-V444 PolarHBondContact O-N 2.87Å; V444-E446 PolarHBondContact O-N 3.5Å
445T33.3Very low35.6Very low99 Ų9997.7 Ų97.761%0.60755%0.554SS**  trans-69.8114168.148.50000106.7G443 I447G443-T445 PolarHBondContact O-N 3.32Å; T445-I447 PolarHBondContact O-N 3.29Å
446E37.1Very low35.2Very low179 Ų179100.3 Ų100.384%0.83656%0.562SS**THydrogen-bonded Turntrans27.7-16.8144.5-142.2165.2-171.300121.5V444V444-E446 PolarHBondContact O-N 3.5Å
447I33.6Very low35Very low132 Ų13296.6 Ų96.668%0.67754%0.543SS*.THydrogen-bonded Turntrans-102.3-12.7-166.2-59.2176.5000112.8T445T445-I447 PolarHBondContact O-N 3.29Å
448Q37.9Very low35.2Very low135 Ų13593.9 Ų93.963%0.63151%0.509SS*.Hα-helixtrans-88.7-15.5177.9-77.5-171.2-38.600114.9
449W38.9Very low35.3Very low30 Ų3093.2 Ų93.211%0.11450%0.499CS..Hα-helixtrans-78.9-39.6-179.8-73.9116.4000112.7F373 A418 A430 V435 E451 W452 I453F373-W449 HydrophobicContact CE1-CH2 4.42Å; F373-W449 HydrophobicContact CE1-CZ3 4.32Å; A418-W449 HydrophobicContact CB-CD2 3.81Å; A418-W449 HydrophobicContact CB-CE3 3.83Å; A418-W449 HydrophobicContact CB-CG 4.4Å; A418-W449 HydrophobicContact CB-CH2 4.03Å; A418-W449 HydrophobicContact CB-CZ2 3.95Å; A418-W449 HydrophobicContact CB-CZ3 3.97Å; A430-W449 HydrophobicContact CB-CH2 3.33Å; A430-W449 HydrophobicContact CB-CZ2 3.78Å; A430-W449 HydrophobicContact CB-CZ3 4.16Å; V435-W449 HydrophobicContact CB-CZ2 4.21Å; V435-W449 HydrophobicContact CG1-CZ2 4.01Å; V435-W449 HydrophobicContact CG2-CH2 3.95Å; V435-W449 HydrophobicContact CG2-CZ2 3.44Å; V435-W449 VanDerWaalsContact CG2-CZ2 3.44Å; W449-E451 VanDerWaalsContact C-N 3.34Å; W449-E451 PolarHBondContact O-N 3.17Å; W449-W452 HydrophobicContact CE3-CB 4.42Å; W449-W452 HydrophobicContact CE3-CE3 4.4Å; W449-W452 HydrophobicContact CZ3-CD2 4.34Å; W449-W452 HydrophobicContact CZ3-CE3 4.1Å; W449-W452 WeakPolarHBondContact O-CB 3.43Å; W449-W452 PolarHBondContact O-N 2.91Å; W449-I453 HydrophobicContact CB-CD1 4.1Å; W449-I453 WeakPolarHBondContact O-CB 3.41Å; W449-I453 VanDerWaalsContact O-CD1 3.29Å; W449-I453 WeakPolarHBondContact O-CD1 3.24Å; W449-I453 VanDerWaalsContact O-CG1 3.3Å; W449-I453 WeakPolarHBondContact O-CG1 3.43Å; W449-I453 PolarHBondContact O-N 3.48Å
450E35.7Very low35.7Very low121 Ų12188.7 Ų88.757%0.56547%0.47SS*.Hα-helixtrans-55.3-45.2178.6-86-157.9172.400112.7I453 K454E450-I453 PolarHBondContact O-N 3.41Å; E450-K454 WeakPolarHBondContact O-CB 3.48Å; E450-K454 VanDerWaalsContact O-CD 3.28Å; E450-K454 WeakPolarHBondContact O-CD 3.43Å; E450-K454 WeakPolarHBondContact O-CG 3.4Å; E450-K454 PolarHBondContact O-N 3.39Å; E450-K454 IonicContact OE2-NZ 2.73Å; E450-K454 PolarHBondContact OE2-NZ 3.26Å
451E34Very low35.9Very low132 Ų13283.4 Ų83.462%0.61744%0.437SS*.Hα-helixtrans-68.5-33.3176.9-80-154.6147.500113.4W449 K455W449-E451 VanDerWaalsContact C-N 3.34Å; W449-E451 PolarHBondContact O-N 3.17Å; E451-K455 PolarHBondContact O-N 2.97Å
452W37.7Very low36Very low84 Ų8485.3 Ų85.332%0.31842%0.422SS..Hα-helixtrans-69.7-37.6178-153.990.8000111F373 W449 K455 R456F373-W452 HydrophobicContact CD1-CH2 4.49Å; F373-W452 HydrophobicContact CD1-CZ3 4.44Å; F373-W452 HydrophobicContact CD2-CH2 4.46Å; F373-W452 AromaticContact CE1-CH2 3.58Å; F373-W452 HydrophobicContact CE1-CH2 3.58Å; F373-W452 HydrophobicContact CE1-CZ2 4.37Å; F373-W452 AromaticContact CE1-CZ3 3.73Å; F373-W452 HydrophobicContact CE1-CZ3 3.73Å; F373-W452 AromaticContact CE2-CH2 3.55Å; F373-W452 HydrophobicContact CE2-CH2 3.55Å; F373-W452 HydrophobicContact CE2-CZ2 4.3Å; F373-W452 HydrophobicContact CE2-CZ3 4.36Å; F373-W452 AromaticContact CZ-CH2 3.05Å; F373-W452 HydrophobicContact CZ-CH2 3.05Å; F373-W452 AromaticContact CZ-CZ2 3.66Å; F373-W452 HydrophobicContact CZ-CZ2 3.66Å; F373-W452 AromaticContact CZ-CZ3 3.72Å; F373-W452 HydrophobicContact CZ-CZ3 3.72Å; W449-W452 HydrophobicContact CE3-CB 4.42Å; W449-W452 HydrophobicContact CE3-CE3 4.4Å; W449-W452 HydrophobicContact CZ3-CD2 4.34Å; W449-W452 HydrophobicContact CZ3-CE3 4.1Å; W449-W452 WeakPolarHBondContact O-CB 3.43Å; W449-W452 PolarHBondContact O-N 2.91Å; W452-K455 PolarHBondContact O-N 2.93Å; W452-R456 HydrophobicContact CZ3-CB 4.48Å; W452-R456 WeakPolarHBondContact O-CB 3.43Å; W452-R456 PolarHBondContact O-N 3.41Å
453I41.1Very low35.8Very low30 Ų3080.3 Ų80.315%0.15440%0.396CS..Hα-helixtrans-75.2-40176.2-73.5158000112.2C419 W449 E450 K455 R456 L457C419-I453 HydrophobicContact CB-CD1 3.12Å; C419-I453 HydrophobicContact CB-CG1 4.4Å; C419-I453 WeakPolarHBondContact SG-CD1 3.24Å; W449-I453 HydrophobicContact CB-CD1 4.1Å; W449-I453 WeakPolarHBondContact O-CB 3.41Å; W449-I453 VanDerWaalsContact O-CD1 3.29Å; W449-I453 WeakPolarHBondContact O-CD1 3.24Å; W449-I453 VanDerWaalsContact O-CG1 3.3Å; W449-I453 WeakPolarHBondContact O-CG1 3.43Å; W449-I453 PolarHBondContact O-N 3.48Å; E450-I453 PolarHBondContact O-N 3.41Å; I453-K455 PolarHBondContact O-N 3.11Å; I453-R456 PolarHBondContact O-N 2.93Å; I453-L457 HydrophobicContact CB-CD1 4.31Å; I453-L457 HydrophobicContact CD1-CD1 4.38Å; I453-L457 HydrophobicContact CG1-CD1 3.85Å; I453-L457 HydrophobicContact CG1-CG 4.47Å; I453-L457 HydrophobicContact CG2-CB 4.17Å; I453-L457 HydrophobicContact CG2-CD1 3.72Å; I453-L457 HydrophobicContact CG2-CG 4.35Å; I453-L457 PolarHBondContact O-N 3.39Å
454K36.2Very low35.4Very low84 Ų8479.9 Ų79.937%0.36538%0.378SS..Hα-helixtrans-54.1-22.4169.6-76.5163.3-167.5169.40111.9N176 E450N176-K454 WeakPolarHBondContact ND2-CA 3.32Å; N176-K454 WeakPolarHBondContact OD1-CA 3.38Å; N176-K454 PolarHBondContact OD1-O 2.84Å; E450-K454 WeakPolarHBondContact O-CB 3.48Å; E450-K454 VanDerWaalsContact O-CD 3.28Å; E450-K454 WeakPolarHBondContact O-CD 3.43Å; E450-K454 WeakPolarHBondContact O-CG 3.4Å; E450-K454 PolarHBondContact O-N 3.39Å; E450-K454 IonicContact OE2-NZ 2.73Å; E450-K454 PolarHBondContact OE2-NZ 3.26Å
455K34.3Very low34.8Very low152 Ų15280 Ų8066%0.66138%0.376SS*.THydrogen-bonded Turntrans-102.5-7.8175.3-69.4175.7-179.4168.10115.2E451 W452 I453E451-K455 PolarHBondContact O-N 2.97Å; W452-K455 PolarHBondContact O-N 2.93Å; I453-K455 PolarHBondContact O-N 3.11Å
456R41.9Very low34.6Very low73 Ų7378.1 Ų78.128%0.27537%0.367SS..THydrogen-bonded Turntrans-148.5-17.2-163.1-114.6166.6-169.5178.51121.3R343 W452 I453 I458R343-R456 VanDerWaalsContact NE-CZ 3.32Å; R343-R456 VanDerWaalsContact NH1-CD 3.28Å; R343-R456 VanDerWaalsContact NH1-NH1 3.14Å; R343-R456 VanDerWaalsContact NH2-CZ 3.34Å; R343-R456 VanDerWaalsContact NH2-NH2 3.16Å; W452-R456 HydrophobicContact CZ3-CB 4.48Å; W452-R456 WeakPolarHBondContact O-CB 3.43Å; W452-R456 PolarHBondContact O-N 3.41Å; I453-R456 PolarHBondContact O-N 2.93Å; R456-I458 PolarHBondContact O-N 3.27Å
457L35Very low34.1Very low46 Ų4673.9 Ų73.924%0.24135%0.353CS..  trans-81.139.2174.6-88.9171.1000112.8C419 L428 I453C419-L457 WeakPolarHBondContact SG-CD1 3.27Å; L428-L457 HydrophobicContact CB-CD1 4.48Å; L428-L457 HydrophobicContact CD2-CD1 4.25Å; L428-L457 HydrophobicContact CD2-CG 4.48Å; I453-L457 HydrophobicContact CB-CD1 4.31Å; I453-L457 HydrophobicContact CD1-CD1 4.38Å; I453-L457 HydrophobicContact CG1-CD1 3.85Å; I453-L457 HydrophobicContact CG1-CG 4.47Å; I453-L457 HydrophobicContact CG2-CB 4.17Å; I453-L457 HydrophobicContact CG2-CD1 3.72Å; I453-L457 HydrophobicContact CG2-CG 4.35Å; I453-L457 PolarHBondContact O-N 3.39Å
458I41.4Very low33.7Very low19 Ų1972.2 Ų72.210%0.09734%0.344CS..THydrogen-bonded Turntrans-99.5-0.6-152.9-77-177.3000113.3N176 E177 R456N176-I458 HydrophobicContact CB-CD1 3.96Å; N176-I458 HydrophobicContact CB-CG1 4.25Å; E177-I458 HydrophobicContact CB-CD1 4.46Å; R456-I458 PolarHBondContact O-N 3.27Å
459S37.2Very low33Very low22 Ų2270.9 Ų70.915%0.15435%0.348CS..THydrogen-bonded Turntrans-113.310.5-177.290.70000115.5
460Q35Very low32.4Very low24 Ų2473.9 Ų73.911%0.11238%0.379CS..  trans-127.4-3-162.5-86.6-108.349.100115.8R347 E375 K377R347-Q460 VanDerWaalsContact CD-NE2 3.26Å; E375-Q460 PolarHBondContact OE2-NE2 3.11Å; K377-Q460 PolarHBondContact NZ-O 2.99Å
461A30.7Very low31.9Very low21 Ų2180.7 Ų80.717%0.17441%0.41CS..SBendtrans-93.4122.3166.600000108.1H172 W463H172-A461 VanDerWaalsContact CE1-CB 3.47Å; H172-A461 WeakPolarHBondContact CE1-CB 3.29Å; H172-A461 WeakPolarHBondContact NE2-CB 3.38Å; A461-W463 PolarHBondContact O-N 3.36Å
462R33.1Very low31.8Very low114 Ų11478.1 Ų78.143%0.4340%0.4SS..  trans-41.7117.4-172.6-79.7167.7152.4-177.7-8.3112.6C382C382-R462 PolarHBondContact SG-NH2 3.34Å
463W26.1Very low31.4Very low60 Ų6077.8 Ų77.823%0.22740%0.404CS..  trans-84.1113153.5-75.686.1000107.8L169 A461 I465L169-W463 HydrophobicContact CD2-CZ3 4.42Å; A461-W463 PolarHBondContact O-N 3.36Å; W463-I465 HydrophobicContact CB-CG1 4.37Å; W463-I465 HydrophobicContact CE3-CD1 4.42Å
464L24.8Very low30.9Very low55 Ų5580.4 Ų80.429%0.28842%0.418SS..  trans-100.9106.2167.1-85.7160.8000107L168L168-L464 HydrophobicContact CD1-CD1 4.29Å
465I26.3Very low30.6Very low67 Ų6780.2 Ų80.234%0.34442%0.421SS..  trans-111.9136.7176.2-56.6-174.5000105.3M230 W463M230-I465 HydrophobicContact CE-CD1 3.54Å; M230-I465 HydrophobicContact CG-CG2 4.07Å; M230-I465 HydrophobicContact SD-CB 4.31Å; M230-I465 HydrophobicContact SD-CD1 3.47Å; M230-I465 WeakPolarHBondContact SD-CD1 3.49Å; M230-I465 HydrophobicContact SD-CG1 4.35Å; M230-I465 HydrophobicContact SD-CG2 3.22Å; M230-I465 WeakPolarHBondContact SD-CG2 3.26Å; W463-I465 HydrophobicContact CB-CG1 4.37Å; W463-I465 HydrophobicContact CE3-CD1 4.42Å
466S28.5Very low30.4Very low60 Ų6075.8 Ų75.842%0.4241%0.406SS..  cis-153.2175.437.9-6.40000112.9V160V160-S466 WeakPolarHBondContact CG1-OG 3.31Å; V160-S466 WeakPolarHBondContact CG2-OG 3.27Å; V160-S466 VanDerWaalsContact O-O 3.1Å
467V25.9Very low29.6Very low90 Ų9075.9 Ų75.955%0.54541%0.414SS..PPolyproline II helixtrans-97.9142.6172.9171.60000109.8
468I25Very low29.2Very low97 Ų9778.1 Ų78.150%0.49743%0.427SS..PPolyproline II helixtrans-91.8136.3161.2-59.8170.3000109.5D161D161-I468 HydrophobicContact CB-CD1 3.77Å; D161-I468 WeakPolarHBondContact OD1-CD1 3.29Å; D161-I468 WeakPolarHBondContact OD1-CG1 3.23Å
469P24.6Very low28.3Very low108 Ų10882.6 Ų82.670%0.70145%0.452SS*.PPolyproline II helixtrans-80.7116.8151.531.4-24.9000109H471P469-H471 PolarHBondContact O-N 3.12Å
470A25Very low27.5Very low93 Ų9387.7 Ų87.777%0.76948%0.477SS*.PPolyproline II helixtrans-74.1123.4170.300000109
471H25.3Very low26.8Very low263 Ų26393.5 Ų93.5100%1.21851%0.51SS*.  trans-101.80142.8-92.7-61.5000107P469P469-H471 PolarHBondContact O-N 3.12Å

Retrieved 471 of 471 residues in 781.8 ms (Link to these results)

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