A0A5K4F7P9_SCHMA Loading...

MAM domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F7P9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 489 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
1M58.2Low63.7Low212 Ų212128.9 Ų128.9100%1.04466%0.661SS**  0-61.10-86.3178.2159.600114.3I3 V4M1-I3 VanDerWaalsContact C-N 3.31Å; M1-I3 PolarHBondContact O-N 3.38Å; M1-I3 VanDerWaalsContact O-N 3.1Å; M1-V4 PolarHBondContact O-N 3.3Å
2K55Low63.3Low195 Ų195124.5 Ų124.585%0.84864%0.644SS**Hα-helixtrans-50.1-40-171.4-67.1-176177.3-179.20116V4 C5 S6K2-V4 PolarHBondContact O-N 3.21Å; K2-C5 PolarHBondContact O-N 2.88Å; K2-S6 PolarHBondContact O-N 3.21Å
3I66.1Low62.8Low132 Ų132122.5 Ų122.568%0.67764%0.635SS**Hα-helixtrans-63.8-38.4179.7-66.6167.8000112.4M1 S6 I7M1-I3 VanDerWaalsContact C-N 3.31Å; M1-I3 PolarHBondContact O-N 3.38Å; M1-I3 VanDerWaalsContact O-N 3.1Å; I3-S6 PolarHBondContact O-N 3.08Å; I3-I7 HydrophobicContact CG2-CD1 3.94Å; I3-I7 WeakPolarHBondContact O-CG1 3.5Å; I3-I7 PolarHBondContact O-N 2.88Å; I3-I7 VanDerWaalsContact O-N 3.16Å
4V67Low62.1Low104 Ų104118.7 Ų118.763%0.6362%0.624SS**Hα-helixtrans-67.8-40.5-177.5-175.50000111M1 K2 S6 I7 L8M1-V4 PolarHBondContact O-N 3.3Å; K2-V4 PolarHBondContact O-N 3.21Å; V4-S6 VanDerWaalsContact C-N 3.34Å; V4-S6 PolarHBondContact O-N 3.37Å; V4-I7 PolarHBondContact O-N 3.28Å; V4-L8 WeakPolarHBondContact O-CB 3.38Å; V4-L8 PolarHBondContact O-N 3.3Å
5C62.2Low61.5Low92 Ų92116.5 Ų116.562%0.62262%0.617SS**Hα-helixtrans-61.8-40.3173.3-78.80000112.5K2 L8 F9K2-C5 PolarHBondContact O-N 2.88Å; C5-L8 PolarHBondContact O-N 3.32Å; C5-F9 WeakPolarHBondContact O-CB 3.25Å; C5-F9 PolarHBondContact O-N 3.13Å
6S68.6Low60.7Low72 Ų72119.7 Ų119.750%0.50362%0.624SS.*Hα-helixtrans-65.1-42.8-179-158.50000112.1K2 I3 V4 F9 L10K2-S6 PolarHBondContact O-N 3.21Å; I3-S6 PolarHBondContact O-N 3.08Å; V4-S6 VanDerWaalsContact C-N 3.34Å; V4-S6 PolarHBondContact O-N 3.37Å; S6-F9 PolarHBondContact O-N 2.72Å; S6-L10 WeakPolarHBondContact O-CG 3.28Å; S6-L10 PolarHBondContact O-N 2.8Å
7I71.7Confident59.5Low98 Ų98116.4 Ų116.450%0.50363%0.626SS.*Hα-helixtrans-65.1-41.6175.8-64168.1000110.9I3 V4 F9 L10 F11I3-I7 HydrophobicContact CG2-CD1 3.94Å; I3-I7 WeakPolarHBondContact O-CG1 3.5Å; I3-I7 PolarHBondContact O-N 2.88Å; I3-I7 VanDerWaalsContact O-N 3.16Å; V4-I7 PolarHBondContact O-N 3.28Å; I7-F9 VanDerWaalsContact C-N 3.34Å; I7-F9 PolarHBondContact O-N 3.11Å; I7-L10 PolarHBondContact O-N 2.93Å; I7-F11 PolarHBondContact O-N 3.49Å
8L64Low58.6Low117 Ų117115.9 Ų115.961%0.61363%0.627SS**Hα-helixtrans-64-39.6176.2-15581.3000111.7V4 C5 F11 V12V4-L8 WeakPolarHBondContact O-CB 3.38Å; V4-L8 PolarHBondContact O-N 3.3Å; C5-L8 PolarHBondContact O-N 3.32Å; L8-F11 PolarHBondContact O-N 3.34Å; L8-V12 VanDerWaalsContact O-CG2 3.27Å; L8-V12 WeakPolarHBondContact O-CG2 3.41Å; L8-V12 PolarHBondContact O-N 3.35Å
9F66.3Low57.4Low140 Ų140116.1 Ų116.161%0.61463%0.626SS**Hα-helixtrans-66.3-41.7177.9-148-95.8000111.7C5 S6 I7 F11 V12 L13C5-F9 WeakPolarHBondContact O-CB 3.25Å; C5-F9 PolarHBondContact O-N 3.13Å; S6-F9 PolarHBondContact O-N 2.72Å; I7-F9 VanDerWaalsContact C-N 3.34Å; I7-F9 PolarHBondContact O-N 3.11Å; F9-F11 VanDerWaalsContact C-N 3.35Å; F9-V12 PolarHBondContact O-N 3.45Å; F9-L13 HydrophobicContact CD1-CD1 3.65Å; F9-L13 HydrophobicContact CD1-CG 4.1Å; F9-L13 HydrophobicContact CE1-CD1 3.87Å; F9-L13 HydrophobicContact CE1-CG 4.24Å; F9-L13 WeakPolarHBondContact O-CB 3.33Å; F9-L13 VanDerWaalsContact O-CG 3.31Å; F9-L13 WeakPolarHBondContact O-CG 3.42Å; F9-L13 PolarHBondContact O-N 2.88Å
10L64.4Low56.5Low113 Ų113115.6 Ų115.659%0.59263%0.632SS**Hα-helixtrans-62.7-39.4172.1-73.4169.2000112.1S6 I7 S14S6-L10 WeakPolarHBondContact O-CG 3.28Å; S6-L10 PolarHBondContact O-N 2.8Å; I7-L10 PolarHBondContact O-N 2.93Å; L10-S14 WeakPolarHBondContact O-CB 3.22Å; L10-S14 PolarHBondContact O-N 2.81Å
11F57.5Low56Low143 Ų143119.3 Ų119.363%0.62764%0.637SS**Hα-helixtrans-65.1-42.9173.5-111-88.7000112.4I7 L8 F9 S14 V15I7-F11 PolarHBondContact O-N 3.49Å; L8-F11 PolarHBondContact O-N 3.34Å; F9-F11 VanDerWaalsContact C-N 3.35Å; F11-S14 PolarHBondContact O-N 2.85Å; F11-V15 WeakPolarHBondContact O-CB 3.5Å; F11-V15 VanDerWaalsContact O-CG2 3.27Å; F11-V15 WeakPolarHBondContact O-CG2 3.23Å; F11-V15 PolarHBondContact O-N 3.37Å
12V59.2Low55.2Low76 Ų76120.3 Ų120.346%0.46163%0.629SS.*Hα-helixtrans-67.3-38.7177.81730000112L8 F9 K16L8-V12 VanDerWaalsContact O-CG2 3.27Å; L8-V12 WeakPolarHBondContact O-CG2 3.41Å; L8-V12 PolarHBondContact O-N 3.35Å; F9-V12 PolarHBondContact O-N 3.45Å; V12-K16 WeakPolarHBondContact O-CB 3.28Å; V12-K16 PolarHBondContact O-N 3.36Å
13L56.2Low54.9Low99 Ų99115.4 Ų115.452%0.51862%0.617SS.*Hα-helixtrans-66.8-41.7173.4-72.1173.2000111.6F9 K16 G17F9-L13 HydrophobicContact CD1-CD1 3.65Å; F9-L13 HydrophobicContact CD1-CG 4.1Å; F9-L13 HydrophobicContact CE1-CD1 3.87Å; F9-L13 HydrophobicContact CE1-CG 4.24Å; F9-L13 WeakPolarHBondContact O-CB 3.33Å; F9-L13 VanDerWaalsContact O-CG 3.31Å; F9-L13 WeakPolarHBondContact O-CG 3.42Å; F9-L13 PolarHBondContact O-N 2.88Å; L13-K16 PolarHBondContact O-N 2.84Å; L13-G17 PolarHBondContact O-N 3.41Å
14S53Low54.2Low69 Ų69112 Ų11248%0.48360%0.6SS.*Hα-helixtrans-65.6-41.5176.2-167.70000111.8L10 F11 K16 G17 V18L10-S14 WeakPolarHBondContact O-CB 3.22Å; L10-S14 PolarHBondContact O-N 2.81Å; F11-S14 PolarHBondContact O-N 2.85Å; S14-K16 PolarHBondContact O-N 3.3Å; S14-G17 PolarHBondContact O-N 3.42Å; S14-V18 VanDerWaalsContact O-CB 3.27Å; S14-V18 WeakPolarHBondContact O-CB 3.48Å; S14-V18 VanDerWaalsContact O-CG2 3.28Å; S14-V18 WeakPolarHBondContact O-CG2 3.38Å; S14-V18 PolarHBondContact O-N 2.85Å
15V52.7Low53.6Low85 Ų85113.7 Ų113.752%0.51560%0.604SS.*Hα-helixtrans-66.3-36174.7172.10000111.7F11 I19F11-V15 WeakPolarHBondContact O-CB 3.5Å; F11-V15 VanDerWaalsContact O-CG2 3.27Å; F11-V15 WeakPolarHBondContact O-CG2 3.23Å; F11-V15 PolarHBondContact O-N 3.37Å; V15-I19 WeakPolarHBondContact O-CG1 3.43Å; V15-I19 PolarHBondContact O-N 2.85Å
16K49.5Very low53.2Low168 Ų168116 Ų11673%0.7360%0.6SS**Hα-helixtrans-71.8-31172.4-79.1-174.7172.7-176.70113.6V12 L13 S14V12-K16 WeakPolarHBondContact O-CB 3.28Å; V12-K16 PolarHBondContact O-N 3.36Å; L13-K16 PolarHBondContact O-N 2.84Å; S14-K16 PolarHBondContact O-N 3.3Å
17G40Very low52.7Low64 Ų64114.3 Ų114.366%0.6658%0.583SS**Hα-helixtrans-84-20.917800000115.1L13 S14L13-G17 PolarHBondContact O-N 3.41Å; S14-G17 PolarHBondContact O-N 3.42Å
18V42.4Very low51.9Low107 Ų107115.8 Ų115.865%0.64859%0.591SS**  trans-117.717.6-172.5-168.50000112.5S14 S20S14-V18 VanDerWaalsContact O-CB 3.27Å; S14-V18 WeakPolarHBondContact O-CB 3.48Å; S14-V18 VanDerWaalsContact O-CG2 3.28Å; S14-V18 WeakPolarHBondContact O-CG2 3.38Å; S14-V18 PolarHBondContact O-N 2.85Å; V18-S20 PolarHBondContact O-N 2.96Å
19I36.6Very low51.9Low119 Ų119119.1 Ų119.161%0.6160%0.601SS**  trans-7371.7149.4-60.7161.5000107.3V15 R21V15-I19 WeakPolarHBondContact O-CG1 3.43Å; V15-I19 PolarHBondContact O-N 2.85Å; I19-R21 HydrophobicContact CG2-CG 4.18Å; I19-R21 PolarHBondContact O-N 3.32Å
20S40.2Very low52.5Low106 Ų106114.6 Ų114.674%0.74158%0.583SS**  trans-6196155-178.80000105.6V18 R22V18-S20 PolarHBondContact O-N 2.96Å; S20-R22 PolarHBondContact O-N 2.94Å
21R44.4Very low53.4Low195 Ų195110.5 Ų110.574%0.73656%0.563SS**  trans-55.9108.1175.9-70.8-177.1179.7-176-0.3106I19 P23I19-R21 HydrophobicContact CG2-CG 4.18Å; I19-R21 PolarHBondContact O-N 3.32Å; R21-P23 VanDerWaalsContact O-N 3.11Å
22R41.7Very low55Low233 Ų233103.8 Ų103.888%0.87953%0.533SS*.PPolyproline II helixtrans-49.9125163.8-88.1-175.7173.5172.9-0.9105.5S20 D24S20-R22 PolarHBondContact O-N 2.94Å; R22-D24 PolarHBondContact O-N 3.48Å; R22-D24 VanDerWaalsContact O-N 3.11Å
23P49.3Very low56.5Low92 Ų92101.7 Ų101.760%0.59752%0.522SS*.PPolyproline II helixtrans-55.3126.7175.523.2-32.2000106.7R21 I25R21-P23 VanDerWaalsContact O-N 3.11Å; P23-I25 PolarHBondContact O-N 2.89Å
24D50.2Low58.3Low60 Ų6097.2 Ų97.232%0.32150%0.499SS..PPolyproline II helixtrans-51.7134.3173.6-173.2-30.9000107.3R22 R26 Y27R22-D24 PolarHBondContact O-N 3.48Å; R22-D24 VanDerWaalsContact O-N 3.11Å; D24-R26 PolarHBondContact O-N 3.45Å; D24-R26 WeakPolarHBondContact OD1-CG 3.28Å; D24-R26 PolarHBondContact OD1-N 3.43Å; D24-R26 IonicContact OD1-NE 3.19Å; D24-R26 PolarHBondContact OD1-NE 2.87Å; D24-R26 IonicContact OD2-CZ 3.31Å; D24-R26 IonicContact OD2-NE 3.49Å; D24-R26 PolarHBondContact OD2-NE 3.47Å; D24-R26 IonicContact OD2-NH2 2.78Å; D24-R26 PolarHBondContact OD2-NH2 3.43Å; D24-Y27 HydrophobicContact CB-CD2 3.67Å; D24-Y27 HydrophobicContact CB-CE2 3.63Å; D24-Y27 PolarHBondContact O-N 2.86Å
25I55.3Low60.2Low140 Ų14096.5 Ų96.572%0.71849%0.494SS*.Hα-helixtrans-55.7-26.4-175.9-62.3171.3000110.2P23 Y27 L28P23-I25 PolarHBondContact O-N 2.89Å; I25-Y27 VanDerWaalsContact C-N 3.33Å; I25-Y27 PolarHBondContact O-N 3.48Å; I25-L28 WeakPolarHBondContact O-CB 3.46Å; I25-L28 PolarHBondContact O-N 3.38Å; I25-L28 VanDerWaalsContact O-N 3.13Å
26R53.2Low62.2Low141 Ų14192.5 Ų92.553%0.53247%0.47SS..Hα-helixtrans-52.9-44.1170.7-65.6-174.8-74.8156.57.3112.8D24 L28 K29 E38D24-R26 PolarHBondContact O-N 3.45Å; D24-R26 WeakPolarHBondContact OD1-CG 3.28Å; D24-R26 PolarHBondContact OD1-N 3.43Å; D24-R26 IonicContact OD1-NE 3.19Å; D24-R26 PolarHBondContact OD1-NE 2.87Å; D24-R26 IonicContact OD2-CZ 3.31Å; D24-R26 IonicContact OD2-NE 3.49Å; D24-R26 PolarHBondContact OD2-NE 3.47Å; D24-R26 IonicContact OD2-NH2 2.78Å; D24-R26 PolarHBondContact OD2-NH2 3.43Å; R26-L28 VanDerWaalsContact C-N 3.3Å; R26-L28 PolarHBondContact O-N 3.3Å; R26-K29 PolarHBondContact O-N 2.91Å; R26-E38 IonicContact CZ-OE1 3.59Å; R26-E38 IonicContact NH1-OE1 2.7Å; R26-E38 PolarHBondContact NH1-OE1 3.31Å; R26-E38 IonicContact NH2-OE1 2.72Å; R26-E38 PolarHBondContact NH2-OE1 2.96Å; R26-E38 IonicContact NH2-OE2 3.44Å; R26-E38 PolarHBondContact NH2-OE2 3.49Å
27Y58.4Low64.2Low36 Ų3688.7 Ų88.714%0.14145%0.454CS..Hα-helixtrans-79.7-7.4179.8-50.2-51000114.3D24 I25 K29 D30 P31 E38 C42D24-Y27 HydrophobicContact CB-CD2 3.67Å; D24-Y27 HydrophobicContact CB-CE2 3.63Å; D24-Y27 PolarHBondContact O-N 2.86Å; I25-Y27 VanDerWaalsContact C-N 3.33Å; I25-Y27 PolarHBondContact O-N 3.48Å; Y27-K29 VanDerWaalsContact C-N 3.3Å; Y27-D30 CarbonylContact O-C 3.53Å; Y27-P31 WeakPolarHBondContact O-CA 3.3Å; Y27-E38 PolarHBondContact OH-OE2 3.37Å; Y27-E38 VanDerWaalsContact OH-OE2 3.1Å; Y27-C42 HydrophobicContact CD1-CB 3.81Å; Y27-C42 HydrophobicContact CE1-CB 3.36Å; Y27-C42 HydrophobicContact CE2-CB 4.33Å; Y27-C42 HydrophobicContact CG-CB 4.49Å; Y27-C42 VanDerWaalsContact CZ-CA 3.45Å
28L55.4Low66.4Low128 Ų12890.2 Ų90.267%0.6745%0.445SS*.Hα-helixtrans-76-22.6172.7-159.873.3000111.9I25 R26I25-L28 WeakPolarHBondContact O-CB 3.46Å; I25-L28 PolarHBondContact O-N 3.38Å; I25-L28 VanDerWaalsContact O-N 3.13Å; R26-L28 VanDerWaalsContact C-N 3.3Å; R26-L28 PolarHBondContact O-N 3.3Å
29K64.7Low68.6Low188 Ų18887.3 Ų87.382%0.81744%0.436SS*.Hα-helixtrans-92.6-36.3-179.8-167.2177.4179.4-1750112.8R26 Y27R26-K29 PolarHBondContact O-N 2.91Å; Y27-K29 VanDerWaalsContact C-N 3.3Å
30D78.4Confident71.3Confident45 Ų4583.1 Ų83.124%0.24142%0.415CS..  trans-129.4102.2167.5-170.2-26000109.3Y27 V32 S33 S206Y27-D30 CarbonylContact O-C 3.53Å; D30-V32 PolarHBondContact O-N 3.46Å; D30-V32 PolarHBondContact OD1-N 3.36Å; D30-S33 VanDerWaalsContact CG-OG 3.27Å; D30-S33 PolarHBondContact OD1-N 2.82Å; D30-S33 PolarHBondContact OD1-OG 3.34Å; D30-S33 WeakPolarHBondContact OD2-CB 3.42Å; D30-S33 PolarHBondContact OD2-OG 3.04Å; D30-S206 PolarHBondContact OD1-OG 2.92Å; D30-S206 PolarHBondContact OD2-OG 2.78Å
31P82.7Confident73.7Confident27 Ų2780.5 Ų80.518%0.17539%0.39CS..SBendtrans-834.7-177.632.9-33.8000113.7Y27 G96 V98Y27-P31 WeakPolarHBondContact O-CA 3.3Å; P31-G96 WeakPolarHBondContact O-CA 3.42Å; P31-G96 PolarHBondContact O-N 3.14Å; P31-G96 VanDerWaalsContact O-N 3.11Å; P31-V98 HydrophobicContact CG-CG2 4.3Å
32V90.8Very high75.9Confident1 Ų172.6 Ų72.61%0.00637%0.365CS..SBendtrans-123.5-41.5-172.1-175.50000112.5D30 C34 W44 V98 I106 L109 L184 I204D30-V32 PolarHBondContact O-N 3.46Å; D30-V32 PolarHBondContact OD1-N 3.36Å; V32-C34 PolarHBondContact O-N 2.82Å; V32-W44 HydrophobicContact CG1-CZ2 3.94Å; V32-W44 PolarHBondContact O-NE1 3.32Å; V32-V98 HydrophobicContact CG2-CG2 3.4Å; V32-I106 HydrophobicContact CB-CD1 4.41Å; V32-I106 HydrophobicContact CG2-CD1 3.85Å; V32-L109 HydrophobicContact CG1-CD1 3.48Å; V32-L109 VanDerWaalsContact CG1-CD1 3.48Å; V32-L184 HydrophobicContact CG1-CD1 3.69Å; V32-L184 HydrophobicContact CG2-CD1 4.27Å; V32-I204 HydrophobicContact CG1-CG2 4.24Å
33S92.1Very high78.2Confident32 Ų3262.3 Ų62.322%0.22433%0.331CS..  trans-65.3131.5-178-62.90000111.9D30 I204 S206D30-S33 VanDerWaalsContact CG-OG 3.27Å; D30-S33 PolarHBondContact OD1-N 2.82Å; D30-S33 PolarHBondContact OD1-OG 3.34Å; D30-S33 WeakPolarHBondContact OD2-CB 3.42Å; D30-S33 PolarHBondContact OD2-OG 3.04Å; S33-I204 CarbonylContact C-O 3.52Å; S33-I204 WeakPolarHBondContact CA-O 3.39Å; S33-S206 PolarHBondContact OG-N 2.83Å
34C94.1Very high80.3Confident6 Ų658.2 Ų58.24%0.04130%0.303CS..BIsolated β-bridgetrans-157.2128.1177.2-1680000111V32 F36 C42 I204V32-C34 PolarHBondContact O-N 2.82Å; C34-F36 HydrophobicContact CB-CE1 4.29Å; C34-F36 HydrophobicContact CB-CZ 4.28Å; C34-F36 WeakPolarHBondContact SG-CD1 3.37Å; C34-F36 WeakPolarHBondContact SG-CE1 3.03Å; C34-C42 WeakPolarHBondContact CA-SG 3.23Å; C34-C42 HydrophobicContact CB-CB 3.59Å; C34-C42 WeakPolarHBondContact CB-SG 3.45Å; C34-C42 WeakPolarHBondContact SG-CB 3.23Å; C34-C42 CovalentContact SG-SG 2.04Å; C34-C42 PolarHBondContact SG-SG 3.5Å; C34-I204 PolarHBondContact N-O 2.87Å; C34-I204 PolarHBondContact O-N 2.8Å
35S92.9Very high82.3Confident53 Ų5360.5 Ų60.537%0.37132%0.316SS..  trans-105.84.6172.761.80000113.2E37S35-E37 PolarHBondContact O-N 3.43Å
36F93.4Very high84Confident1 Ų156.2 Ų56.20%0.00429%0.294CS..  trans54.8-3.8179.7-51.5-74.1000117.8C34 E38 G39 N40 F41 V57 H66 A68 V201 I204C34-F36 HydrophobicContact CB-CE1 4.29Å; C34-F36 HydrophobicContact CB-CZ 4.28Å; C34-F36 WeakPolarHBondContact SG-CD1 3.37Å; C34-F36 WeakPolarHBondContact SG-CE1 3.03Å; F36-E38 PolarHBondContact O-N 3.27Å; F36-G39 WeakPolarHBondContact O-CA 3.32Å; F36-G39 PolarHBondContact O-N 3.18Å; F36-N40 WeakPolarHBondContact CD1-O 3.3Å; F36-F41 HydrophobicContact CD1-CD1 4.5Å; F36-F41 HydrophobicContact CE1-CD1 4.07Å; F36-V57 HydrophobicContact CB-CG1 3.95Å; F36-V57 HydrophobicContact CB-CG2 4.44Å; F36-V57 HydrophobicContact CD1-CG2 3.73Å; F36-V57 HydrophobicContact CE1-CG2 4.46Å; F36-V57 HydrophobicContact CG-CG2 4.39Å; F36-H66 HydrophobicContact CB-CB 4.21Å; F36-H66 VanDerWaalsContact O-CB 3.31Å; F36-H66 WeakPolarHBondContact O-CB 3.32Å; F36-A68 HydrophobicContact CD1-CB 4.06Å; F36-A68 HydrophobicContact CD2-CB 4.3Å; F36-A68 HydrophobicContact CE1-CB 3.67Å; F36-A68 HydrophobicContact CE2-CB 3.91Å; F36-A68 HydrophobicContact CG-CB 4.37Å; F36-A68 HydrophobicContact CZ-CB 3.58Å; F36-V201 WeakPolarHBondContact CE2-O 3.4Å; F36-I204 HydrophobicContact CE2-CD1 4.12Å; F36-I204 HydrophobicContact CE2-CG1 4.34Å; F36-I204 HydrophobicContact CZ-CD1 3.87Å
37E91Very high85.8Confident88 Ų8849.8 Ų49.841%0.41127%0.27SS..THydrogen-bonded Turntrans-58.5-22.1-174.8-66.5-60.1176.500115.2S35 G39 T65 H66S35-E37 PolarHBondContact O-N 3.43Å; E37-G39 PolarHBondContact O-N 3.42Å; E37-T65 WeakPolarHBondContact OE1-CB 3.39Å; E37-T65 PolarHBondContact OE1-OG1 3.06Å; E37-H66 IonicContact OE2-CE1 2.79Å; E37-H66 IonicContact OE2-CG 2.86Å; E37-H66 PolarHBondContact OE2-N 2.88Å; E37-H66 IonicContact OE2-ND1 3.22Å; E37-H66 PolarHBondContact OE2-ND1 3.33Å
38E87.6Confident87.1Confident97 Ų9753.8 Ų53.845%0.45330%0.301SS..THydrogen-bonded Turntrans-77.39.6171-63.1-169.716600113.4R26 Y27 F36 N40R26-E38 IonicContact CZ-OE1 3.59Å; R26-E38 IonicContact NH1-OE1 2.7Å; R26-E38 PolarHBondContact NH1-OE1 3.31Å; R26-E38 IonicContact NH2-OE1 2.72Å; R26-E38 PolarHBondContact NH2-OE1 2.96Å; R26-E38 IonicContact NH2-OE2 3.44Å; R26-E38 PolarHBondContact NH2-OE2 3.49Å; Y27-E38 PolarHBondContact OH-OE2 3.37Å; Y27-E38 VanDerWaalsContact OH-OE2 3.1Å; F36-E38 PolarHBondContact O-N 3.27Å; E38-N40 WeakPolarHBondContact CB-ND2 3.49Å; E38-N40 PolarHBondContact O-N 3.43Å; E38-N40 PolarHBondContact OE2-ND2 2.86Å
39G89.1Confident88.6Confident45 Ų4555.9 Ų55.946%0.46430%0.3SS..THydrogen-bonded Turntrans64.322-175.400000113.7F36 E37F36-G39 WeakPolarHBondContact O-CA 3.32Å; F36-G39 PolarHBondContact O-N 3.18Å; E37-G39 PolarHBondContact O-N 3.42Å
40N91.6Very high89.6Confident31 Ų3148.7 Ų48.717%0.16627%0.27CS..SBendtrans-137.5161.3-173.376.555000112F36 E38 C42F36-N40 WeakPolarHBondContact CD1-O 3.3Å; E38-N40 WeakPolarHBondContact CB-ND2 3.49Å; E38-N40 PolarHBondContact O-N 3.43Å; E38-N40 PolarHBondContact OE2-ND2 2.86Å; N40-C42 PolarHBondContact O-N 3.43Å; N40-C42 WeakPolarHBondContact OD1-CA 3.48Å; N40-C42 PolarHBondContact OD1-N 2.95Å
41F91.7Very high89.7Confident52 Ų5251.2 Ų51.223%0.22829%0.287CS..  trans-77.39.1-178.2-71.3-75.1000114.8F36 G43 W44 W55 V57 A68 L93F36-F41 HydrophobicContact CD1-CD1 4.5Å; F36-F41 HydrophobicContact CE1-CD1 4.07Å; F41-G43 PolarHBondContact O-N 2.93Å; F41-G43 VanDerWaalsContact O-N 3.15Å; F41-W44 HydrophobicContact CB-CB 4.24Å; F41-W44 VanDerWaalsContact CB-O 3.23Å; F41-W44 WeakPolarHBondContact CB-O 3.35Å; F41-W44 WeakPolarHBondContact O-CA 3.22Å; F41-W44 VanDerWaalsContact O-CB 3.28Å; F41-W44 WeakPolarHBondContact O-CB 3.46Å; F41-W44 PolarHBondContact O-N 2.85Å; F41-W55 HydrophobicContact CE1-CB 4.07Å; F41-W55 HydrophobicContact CZ-CB 4.22Å; F41-W55 WeakPolarHBondContact CZ-O 3.45Å; F41-V57 HydrophobicContact CD1-CG2 3.69Å; F41-V57 HydrophobicContact CD2-CG2 4.2Å; F41-V57 HydrophobicContact CE1-CG2 3.65Å; F41-V57 HydrophobicContact CE2-CG2 4.17Å; F41-V57 HydrophobicContact CG-CG2 3.97Å; F41-V57 HydrophobicContact CZ-CG2 3.9Å; F41-A68 HydrophobicContact CE1-CB 4.09Å; F41-L93 HydrophobicContact CD1-CD1 3.66Å; F41-L93 HydrophobicContact CD1-CD2 4.35Å; F41-L93 HydrophobicContact CE1-CD1 3.65Å
42C91Very high89.9Confident29 Ų2952.5 Ų52.520%0.19629%0.292CS..THydrogen-bonded Turntrans56-114.2-171-51.50000111.7Y27 C34 N40Y27-C42 HydrophobicContact CD1-CB 3.81Å; Y27-C42 HydrophobicContact CE1-CB 3.36Å; Y27-C42 HydrophobicContact CE2-CB 4.33Å; Y27-C42 HydrophobicContact CG-CB 4.49Å; Y27-C42 VanDerWaalsContact CZ-CA 3.45Å; C34-C42 WeakPolarHBondContact CA-SG 3.23Å; C34-C42 HydrophobicContact CB-CB 3.59Å; C34-C42 WeakPolarHBondContact CB-SG 3.45Å; C34-C42 WeakPolarHBondContact SG-CB 3.23Å; C34-C42 CovalentContact SG-SG 2.04Å; C34-C42 PolarHBondContact SG-SG 3.5Å; N40-C42 PolarHBondContact O-N 3.43Å; N40-C42 WeakPolarHBondContact OD1-CA 3.48Å; N40-C42 PolarHBondContact OD1-N 2.95Å
43G88.7Confident89.9Confident17 Ų1752.4 Ų52.418%0.17529%0.292CS..THydrogen-bonded Turntrans-98.50.9169.700000115F41 N45 G96F41-G43 PolarHBondContact O-N 2.93Å; F41-G43 VanDerWaalsContact O-N 3.15Å; G43-N45 PolarHBondContact O-ND2 2.77Å; G43-G96 PolarHBondContact O-N 2.79Å
44W93.8Very high89.9Confident5 Ų555.2 Ų55.22%0.01930%0.297CS..  trans-78.1153.8176.5-64.477.1000111.5V32 F41 L93 W94 S95 L184 L186 I204V32-W44 HydrophobicContact CG1-CZ2 3.94Å; V32-W44 PolarHBondContact O-NE1 3.32Å; F41-W44 HydrophobicContact CB-CB 4.24Å; F41-W44 VanDerWaalsContact CB-O 3.23Å; F41-W44 WeakPolarHBondContact CB-O 3.35Å; F41-W44 WeakPolarHBondContact O-CA 3.22Å; F41-W44 VanDerWaalsContact O-CB 3.28Å; F41-W44 WeakPolarHBondContact O-CB 3.46Å; F41-W44 PolarHBondContact O-N 2.85Å; W44-L93 HydrophobicContact CB-CD1 4.28Å; W44-L93 HydrophobicContact CB-CD2 4.18Å; W44-L93 HydrophobicContact CB-CG 4.04Å; W44-L93 HydrophobicContact CD2-CD2 4.29Å; W44-L93 HydrophobicContact CD2-CG 4.43Å; W44-L93 HydrophobicContact CE3-CB 4.38Å; W44-L93 HydrophobicContact CE3-CD2 4Å; W44-L93 HydrophobicContact CE3-CG 3.86Å; W44-L93 HydrophobicContact CG-CD2 4.4Å; W44-L93 WeakPolarHBondContact CZ3-O 3.4Å; W44-W94 CarbonylContact C-O 3.57Å; W44-W94 WeakPolarHBondContact CA-O 3.41Å; W44-S95 VanDerWaalsContact CE3-N 3.26Å; W44-L184 HydrophobicContact CH2-CB 4Å; W44-L186 HydrophobicContact CH2-CD1 4.03Å; W44-L186 HydrophobicContact CH2-CG 4.28Å; W44-L186 HydrophobicContact CZ3-CD1 3.97Å; W44-L186 HydrophobicContact CZ3-CG 4.13Å; W44-I204 HydrophobicContact CD2-CD1 4.47Å; W44-I204 HydrophobicContact CH2-CD1 4.35Å; W44-I204 HydrophobicContact CZ2-CD1 3.79Å; W44-I204 HydrophobicContact CZ2-CG2 3.95Å
45N93Very high89.9Confident108 Ų10855.2 Ų55.258%0.57830%0.297SS*.EExtended strand (participates in β ladder)trans-140.7136.1178.9-64.7-90.4000110.5G43 W94G43-N45 PolarHBondContact O-ND2 2.77Å; N45-W94 PolarHBondContact N-O 3Å; N45-W94 PolarHBondContact O-N 2.85Å
46D91.2Very high90Very high50 Ų5056.6 Ų56.627%0.26730%0.297SS..EExtended strand (participates in β ladder)trans-68.9149.1171.2-169.357.9000110.6P48 W55 L93D46-P48 WeakPolarHBondContact O-CD 3.08Å; D46-W55 WeakPolarHBondContact OD1-CB 3.46Å; D46-W55 VanDerWaalsContact OD1-CD1 3.3Å; D46-W55 PolarHBondContact OD1-N 3.06Å; D46-L93 HydrophobicContact CB-CD1 4.48Å
47D91Very high90.1Very high6 Ų657.6 Ų57.63%0.03230%0.304CS..  trans-87.8108179.7-163.1-31.3000110.6R49 D50 R92 W94D47-R49 PolarHBondContact O-N 3.01Å; D47-R49 WeakPolarHBondContact OD1-CB 3.38Å; D47-R49 IonicContact OD1-CZ 3.93Å; D47-R49 PolarHBondContact OD1-N 3.36Å; D47-R49 IonicContact OD1-NE 3.47Å; D47-R49 PolarHBondContact OD1-NE 3.22Å; D47-R49 IonicContact OD1-NH2 3.74Å; D47-R49 PolarHBondContact OD1-NH2 3.26Å; D47-R49 IonicContact OD2-CZ 2.77Å; D47-R49 IonicContact OD2-NE 3.55Å; D47-R49 IonicContact OD2-NH2 2.88Å; D47-R49 PolarHBondContact OD2-NH2 3.4Å; D47-D50 PolarHBondContact O-N 3.41Å; D47-R92 HydrophobicContact CB-CB 3.93Å; D47-R92 WeakPolarHBondContact CB-O 3.32Å; D47-R92 PolarHBondContact N-O 2.92Å; D47-W94 PolarHBondContact OD2-NE1 3.38Å
48P85.9Confident90.2Very high120 Ų12055 Ų5578%0.77929%0.292SS*.THydrogen-bonded Turntrans-68.91.4-172.830.7-38000114.3D46D46-P48 WeakPolarHBondContact O-CD 3.08Å
49R86.2Confident90.5Very high173 Ų17354.8 Ų54.865%0.65329%0.291SS*.THydrogen-bonded Turntrans-87.5-17.1173.6-62.2172.7-68.4-174.81.6112.5D47 V51D47-R49 PolarHBondContact O-N 3.01Å; D47-R49 WeakPolarHBondContact OD1-CB 3.38Å; D47-R49 IonicContact OD1-CZ 3.93Å; D47-R49 PolarHBondContact OD1-N 3.36Å; D47-R49 IonicContact OD1-NE 3.47Å; D47-R49 PolarHBondContact OD1-NE 3.22Å; D47-R49 IonicContact OD1-NH2 3.74Å; D47-R49 PolarHBondContact OD1-NH2 3.26Å; D47-R49 IonicContact OD2-CZ 2.77Å; D47-R49 IonicContact OD2-NE 3.55Å; D47-R49 IonicContact OD2-NH2 2.88Å; D47-R49 PolarHBondContact OD2-NH2 3.4Å; R49-V51 PolarHBondContact O-N 3.25Å
50D85.6Confident90.6Very high36 Ų3653.2 Ų53.219%0.19327%0.272CS..  trans-83.892.9-179.5-66-24.4000109D47 A91 R92D47-D50 PolarHBondContact O-N 3.41Å; D50-A91 HydrophobicContact CB-CB 4.1Å; D50-A91 VanDerWaalsContact OD2-CA 3.3Å; D50-A91 WeakPolarHBondContact OD2-CA 3.44Å; D50-R92 WeakPolarHBondContact OD2-CB 3.15Å; D50-R92 PolarHBondContact OD2-N 3.32Å
51V81.4Confident90.6Very high98 Ų9855.7 Ų55.759%0.59429%0.289SS*.  trans-88.1-13-172.8-61.40000114.6R49R49-V51 PolarHBondContact O-N 3.25Å
52L86.2Confident90.4Very high54 Ų5460.5 Ų60.528%0.28331%0.313SS..SBendtrans-96.4-19.3-175.1-62.2-178.8000113.2L72 S73 F77 V87L52-L72 WeakPolarHBondContact O-CD1 3.47Å; L52-S73 WeakPolarHBondContact O-CB 3.36Å; L52-S73 PolarHBondContact O-N 2.68Å; L52-F77 HydrophobicContact CD2-CD2 4.31Å; L52-F77 HydrophobicContact CD2-CE2 3.75Å; L52-F77 HydrophobicContact CD2-CZ 4.4Å; L52-V87 HydrophobicContact CD1-CB 4.27Å; L52-V87 HydrophobicContact CD1-CG1 3.71Å
53A89.9Confident90.3Very high0 Ų062.1 Ų62.10%032%0.316CS..EExtended strand (participates in β ladder)trans-153.6157.1174.100000108.7L70 H71 A91A53-L70 HydrophobicContact CB-CD1 3.88Å; A53-L70 HydrophobicContact CB-CG 4.46Å; A53-H71 CarbonylContact C-O 3.58Å; A53-H71 WeakPolarHBondContact CA-O 3.44Å; A53-H71 VanDerWaalsContact CB-O 3.23Å; A53-H71 WeakPolarHBondContact CB-O 3.48Å; A53-A91 HydrophobicContact CB-CB 4.06Å; A53-A91 VanDerWaalsContact O-CB 3.25Å; A53-A91 WeakPolarHBondContact O-CB 3.44Å
54W92.4Very high90.4Very high90 Ų9068.8 Ų68.834%0.34134%0.343SS..EExtended strand (participates in β ladder)trans-141.5156.4175.664.289.8000110.5H71W54-H71 HydrophobicContact CD2-CB 4.22Å; W54-H71 HydrophobicContact CZ2-CB 3.89Å; W54-H71 PolarHBondContact N-O 2.87Å; W54-H71 PolarHBondContact O-N 3.02Å
55W94.8Very high90.3Very high6 Ų669.3 Ų69.32%0.02335%0.347CS..EExtended strand (participates in β ladder)trans-84139.6168.8-68.688.7000111F41 D46 A68 L70 A91 L93 L126 I199 V201F41-W55 HydrophobicContact CE1-CB 4.07Å; F41-W55 HydrophobicContact CZ-CB 4.22Å; F41-W55 WeakPolarHBondContact CZ-O 3.45Å; D46-W55 WeakPolarHBondContact OD1-CB 3.46Å; D46-W55 VanDerWaalsContact OD1-CD1 3.3Å; D46-W55 PolarHBondContact OD1-N 3.06Å; W55-A68 HydrophobicContact CE3-CB 4.16Å; W55-A68 WeakPolarHBondContact CZ3-O 3.47Å; W55-L70 HydrophobicContact CD2-CB 4.42Å; W55-L70 HydrophobicContact CD2-CD1 4.38Å; W55-L70 HydrophobicContact CE3-CB 4.24Å; W55-L70 HydrophobicContact CH2-CB 4.24Å; W55-L70 HydrophobicContact CZ2-CB 4.4Å; W55-L70 HydrophobicContact CZ3-CB 4.14Å; W55-A91 PolarHBondContact NE1-O 3.01Å; W55-L93 HydrophobicContact CB-CD1 3.94Å; W55-L93 HydrophobicContact CD2-CB 4.19Å; W55-L93 HydrophobicContact CG-CB 3.96Å; W55-L93 HydrophobicContact CG-CD1 4.15Å; W55-L93 HydrophobicContact CG-CG 4.48Å; W55-L126 HydrophobicContact CH2-CD1 4.08Å; W55-L126 HydrophobicContact CZ2-CD1 4.32Å; W55-I199 HydrophobicContact CH2-CG2 4.48Å; W55-V201 HydrophobicContact CH2-CG2 3.89Å; W55-V201 HydrophobicContact CZ3-CB 4.46Å; W55-V201 HydrophobicContact CZ3-CG2 3.96Å
56Q94.2Very high90.4Very high82 Ų8266.5 Ų66.538%0.38333%0.33SS..EExtended strand (participates in β ladder)trans-137.9128.9175.4-173.1174.1-6.800110.3I58 C69 H71Q56-I58 HydrophobicContact CB-CG2 4.42Å; Q56-I58 HydrophobicContact CG-CG2 3.9Å; Q56-I58 PolarHBondContact O-N 2.84Å; Q56-C69 PolarHBondContact N-O 3.46Å; Q56-C69 PolarHBondContact O-N 3.35Å; Q56-H71 PolarHBondContact OE1-CE1 3.27Å
57V95.2Very high90.6Very high23 Ų2364.1 Ų64.114%0.13932%0.317CS..EExtended strand (participates in β ladder)trans-71.8121.2168.1-178.70000108.9F36 F41 H66 A67F36-V57 HydrophobicContact CB-CG1 3.95Å; F36-V57 HydrophobicContact CB-CG2 4.44Å; F36-V57 HydrophobicContact CD1-CG2 3.73Å; F36-V57 HydrophobicContact CE1-CG2 4.46Å; F36-V57 HydrophobicContact CG-CG2 4.39Å; F41-V57 HydrophobicContact CD1-CG2 3.69Å; F41-V57 HydrophobicContact CD2-CG2 4.2Å; F41-V57 HydrophobicContact CE1-CG2 3.65Å; F41-V57 HydrophobicContact CE2-CG2 4.17Å; F41-V57 HydrophobicContact CG-CG2 3.97Å; F41-V57 HydrophobicContact CZ-CG2 3.9Å; V57-H66 HydrophobicContact CG1-CB 4.18Å; V57-A67 WeakPolarHBondContact CA-O 3.17Å
58I94.1Very high90.9Very high32 Ų3263.8 Ų63.816%0.16432%0.316CS..EExtended strand (participates in β ladder)trans-129.6149.117663.7172.6000110.3Q56 L60 H66 A67 C69Q56-I58 HydrophobicContact CB-CG2 4.42Å; Q56-I58 HydrophobicContact CG-CG2 3.9Å; Q56-I58 PolarHBondContact O-N 2.84Å; I58-L60 HydrophobicContact CD1-CD2 3.95Å; I58-L60 HydrophobicContact CG1-CD2 4.26Å; I58-H66 WeakPolarHBondContact O-CA 3.17Å; I58-A67 PolarHBondContact N-O 3.22Å; I58-A67 PolarHBondContact O-N 3.4Å; I58-C69 HydrophobicContact CD1-CB 3.84Å; I58-C69 VanDerWaalsContact CD1-SG 3.57Å; I58-C69 HydrophobicContact CG1-CB 3.94Å; I58-C69 WeakPolarHBondContact CG1-SG 3.29Å
59H94.2Very high91.3Very high94 Ų9458.1 Ų58.144%0.43528%0.278SS..EExtended strand (participates in β ladder)trans-76.6130.2167.2-179.5-117.7000109.2P61 T65 H66H59-P61 WeakPolarHBondContact O-CD 3.41Å; H59-T65 PolarHBondContact CD2-O 3.06Å; H59-H66 AromaticContact CD2-CE1 3.76Å; H59-H66 AromaticContact CD2-NE2 3.91Å
60L91.6Very high91.7Very high11 Ų1149.9 Ų49.96%0.05825%0.247CC..EExtended strand (participates in β ladder)trans-104.599.3175.9-67.9173000108.9I58 E62 F63 H64 T65 A67 L116 W168 C200I58-L60 HydrophobicContact CD1-CD2 3.95Å; I58-L60 HydrophobicContact CG1-CD2 4.26Å; L60-E62 PolarHBondContact O-N 3.36Å; L60-F63 HydrophobicContact CB-CD2 4.15Å; L60-F63 HydrophobicContact CD1-CD2 4.3Å; L60-F63 PolarHBondContact O-N 3.47Å; L60-F63 VanDerWaalsContact O-N 3.1Å; L60-H64 PolarHBondContact O-N 2.91Å; L60-T65 PolarHBondContact N-O 2.82Å; L60-A67 HydrophobicContact CD1-CB 3.71Å; L60-A67 HydrophobicContact CG-CB 4.48Å; L60-L116 HydrophobicContact CD2-CD1 4.09Å; L60-W168 HydrophobicContact CD1-CH2 4.2Å; L60-W168 HydrophobicContact CD1-CZ2 3.77Å; L60-C200 HydrophobicContact CD1-CB 4.21Å
61P90.5Very high91.8Very high83 Ų8349.4 Ų49.454%0.53924%0.244SC..THydrogen-bonded Turntrans-62.1-31.3-170.9-23.434.7000113.9H59 F63 H64H59-P61 WeakPolarHBondContact O-CD 3.41Å; P61-F63 VanDerWaalsContact C-N 3.25Å; P61-F63 PolarHBondContact O-N 2.89Å; P61-H64 PolarHBondContact O-CE1 2.94Å; P61-H64 PolarHBondContact O-N 2.86Å; P61-H64 PolarHBondContact O-ND1 2.9Å
62E87.6Confident92.1Very high153 Ų15345.6 Ų45.672%0.71522%0.22SC*.THydrogen-bonded Turntrans-64.6-27.4178.9-66.8158.9-174.400113L60L60-E62 PolarHBondContact O-N 3.36Å
63F88.9Confident91.7Very high63 Ų6344.4 Ų44.428%0.27622%0.216SC..THydrogen-bonded Turntrans-113.3-1.2-177.6-59-70.5000113.3L60 P61 T65 I114 L116 W168L60-F63 HydrophobicContact CB-CD2 4.15Å; L60-F63 HydrophobicContact CD1-CD2 4.3Å; L60-F63 PolarHBondContact O-N 3.47Å; L60-F63 VanDerWaalsContact O-N 3.1Å; P61-F63 VanDerWaalsContact C-N 3.25Å; P61-F63 PolarHBondContact O-N 2.89Å; F63-T65 HydrophobicContact CB-CG2 3.8Å; F63-T65 PolarHBondContact O-N 3.3Å; F63-I114 HydrophobicContact CE1-CD1 4.2Å; F63-I114 HydrophobicContact CE2-CD1 3.81Å; F63-I114 HydrophobicContact CZ-CD1 3.41Å; F63-I114 VanDerWaalsContact CZ-CD1 3.41Å; F63-L116 HydrophobicContact CE2-CD2 4.34Å; F63-W168 AromaticContact CD1-CD1 3.67Å; F63-W168 AromaticContact CD1-NE1 3.26Å; F63-W168 VanDerWaalsContact CD1-NE1 3.26Å; F63-W168 HydrophobicContact CD2-CZ2 4.44Å; F63-W168 AromaticContact CD2-NE1 3.61Å; F63-W168 AromaticContact CE1-CD1 3.72Å; F63-W168 AromaticContact CE1-NE1 3.56Å; F63-W168 AromaticContact CE2-NE1 3.9Å; F63-W168 AromaticContact CG-NE1 3.28Å; F63-W168 VanDerWaalsContact CG-NE1 3.28Å; F63-W168 AromaticContact CZ-NE1 3.88Å
64H90.6Very high90.7Very high157 Ų15749.1 Ų49.173%0.72725%0.245SC*.THydrogen-bonded Turntrans50.439-178-57.6-56.3000114.4L60 P61L60-H64 PolarHBondContact O-N 2.91Å; P61-H64 PolarHBondContact O-CE1 2.94Å; P61-H64 PolarHBondContact O-N 2.86Å; P61-H64 PolarHBondContact O-ND1 2.9Å
65T92.6Very high89.1Confident16 Ų1647.5 Ų47.510%0.09825%0.248CC..EExtended strand (participates in β ladder)trans-143.8161.1-176.6-176.10000111E37 H59 L60 F63 W168E37-T65 WeakPolarHBondContact OE1-CB 3.39Å; E37-T65 PolarHBondContact OE1-OG1 3.06Å; H59-T65 PolarHBondContact CD2-O 3.06Å; L60-T65 PolarHBondContact N-O 2.82Å; F63-T65 HydrophobicContact CB-CG2 3.8Å; F63-T65 PolarHBondContact O-N 3.3Å; T65-W168 HydrophobicContact CG2-CZ2 4.48Å
66H94.4Very high87Confident49 Ų4950.8 Ų50.823%0.22727%0.27CS..EExtended strand (participates in β ladder)trans-95.6137.1169.2-63.780.4000110.7F36 E37 V57 I58 H59F36-H66 HydrophobicContact CB-CB 4.21Å; F36-H66 VanDerWaalsContact O-CB 3.31Å; F36-H66 WeakPolarHBondContact O-CB 3.32Å; E37-H66 IonicContact OE2-CE1 2.79Å; E37-H66 IonicContact OE2-CG 2.86Å; E37-H66 PolarHBondContact OE2-N 2.88Å; E37-H66 IonicContact OE2-ND1 3.22Å; E37-H66 PolarHBondContact OE2-ND1 3.33Å; V57-H66 HydrophobicContact CG1-CB 4.18Å; I58-H66 WeakPolarHBondContact O-CA 3.17Å; H59-H66 AromaticContact CD2-CE1 3.76Å; H59-H66 AromaticContact CD2-NE2 3.91Å
67A95.4Very high84.9Confident0 Ų052.3 Ų52.30%028%0.275CS..EExtended strand (participates in β ladder)trans-134.5149.1177.200000111.1V57 I58 L60 C69 W168 C200 D202V57-A67 WeakPolarHBondContact CA-O 3.17Å; I58-A67 PolarHBondContact N-O 3.22Å; I58-A67 PolarHBondContact O-N 3.4Å; L60-A67 HydrophobicContact CD1-CB 3.71Å; L60-A67 HydrophobicContact CG-CB 4.48Å; A67-C69 PolarHBondContact O-N 2.89Å; A67-W168 HydrophobicContact CB-CH2 3.81Å; A67-W168 HydrophobicContact CB-CZ2 4.47Å; A67-C200 HydrophobicContact CB-CB 4.11Å; A67-D202 HydrophobicContact CB-CB 4.2Å
68A96.1Very high82.3Confident0 Ų059.8 Ų59.80%031%0.306CS..EExtended strand (participates in β ladder)trans-76.6110.7165.600000108.5F36 F41 W55 L93 C200 V201F36-A68 HydrophobicContact CD1-CB 4.06Å; F36-A68 HydrophobicContact CD2-CB 4.3Å; F36-A68 HydrophobicContact CE1-CB 3.67Å; F36-A68 HydrophobicContact CE2-CB 3.91Å; F36-A68 HydrophobicContact CG-CB 4.37Å; F36-A68 HydrophobicContact CZ-CB 3.58Å; F41-A68 HydrophobicContact CE1-CB 4.09Å; W55-A68 HydrophobicContact CE3-CB 4.16Å; W55-A68 WeakPolarHBondContact CZ3-O 3.47Å; A68-L93 HydrophobicContact CB-CD2 4.32Å; A68-C200 CarbonylContact O-C 3.51Å; A68-C200 WeakPolarHBondContact O-CA 3.43Å; A68-V201 PolarHBondContact N-O 2.74Å; A68-V201 PolarHBondContact O-N 2.88Å
69C95.1Very high80Confident0 Ų061.7 Ų61.70%032%0.319CS..EExtended strand (participates in β ladder)trans-109.7136.6179.7-62.40000111.6Q56 I58 A67 I199 C200Q56-C69 PolarHBondContact N-O 3.46Å; Q56-C69 PolarHBondContact O-N 3.35Å; I58-C69 HydrophobicContact CD1-CB 3.84Å; I58-C69 VanDerWaalsContact CD1-SG 3.57Å; I58-C69 HydrophobicContact CG1-CB 3.94Å; I58-C69 WeakPolarHBondContact CG1-SG 3.29Å; A67-C69 PolarHBondContact O-N 2.89Å; C69-I199 CarbonylContact C-O 3.6Å; C69-I199 VanDerWaalsContact CA-O 3.3Å; C69-I199 WeakPolarHBondContact CA-O 3.1Å; C69-C200 HydrophobicContact CB-CB 4.16Å; C69-C200 WeakPolarHBondContact CB-SG 3.49Å; C69-C200 WeakPolarHBondContact SG-CB 3.18Å; C69-C200 CovalentContact SG-SG 2.04Å; C69-C200 PolarHBondContact SG-SG 2.85Å
70L93.8Very high77.9Confident0 Ų067.1 Ų67.10%035%0.345CS..EExtended strand (participates in β ladder)trans-75.4126.8172.3-176.767.2000110.2A53 W55 A91 G188 I190 I199A53-L70 HydrophobicContact CB-CD1 3.88Å; A53-L70 HydrophobicContact CB-CG 4.46Å; W55-L70 HydrophobicContact CD2-CB 4.42Å; W55-L70 HydrophobicContact CD2-CD1 4.38Å; W55-L70 HydrophobicContact CE3-CB 4.24Å; W55-L70 HydrophobicContact CH2-CB 4.24Å; W55-L70 HydrophobicContact CZ2-CB 4.4Å; W55-L70 HydrophobicContact CZ3-CB 4.14Å; L70-A91 HydrophobicContact CD1-CB 3.43Å; L70-A91 VanDerWaalsContact CD1-CB 3.43Å; L70-G188 VanDerWaalsContact CD2-C 3.41Å; L70-G188 WeakPolarHBondContact CD2-O 3.44Å; L70-I190 HydrophobicContact CB-CD1 4.34Å; L70-I190 HydrophobicContact CD2-CD1 3.6Å; L70-I190 HydrophobicContact CD2-CG1 3.78Å; L70-I190 HydrophobicContact CG-CD1 3.74Å; L70-I190 HydrophobicContact CG-CG1 4.47Å; L70-I199 HydrophobicContact CB-CB 4.17Å; L70-I199 HydrophobicContact CD2-CD1 3.82Å; L70-I199 HydrophobicContact CD2-CG1 4.23Å; L70-I199 PolarHBondContact N-O 3.25Å
71H89.3Confident75.8Confident27 Ų2770.4 Ų70.413%0.12537%0.369CS..EExtended strand (participates in β ladder)trans-113.5131.7176-80.5-139.2000110A53 W54 Q56 R198A53-H71 CarbonylContact C-O 3.58Å; A53-H71 WeakPolarHBondContact CA-O 3.44Å; A53-H71 VanDerWaalsContact CB-O 3.23Å; A53-H71 WeakPolarHBondContact CB-O 3.48Å; W54-H71 HydrophobicContact CD2-CB 4.22Å; W54-H71 HydrophobicContact CZ2-CB 3.89Å; W54-H71 PolarHBondContact N-O 2.87Å; W54-H71 PolarHBondContact O-N 3.02Å; Q56-H71 PolarHBondContact OE1-CE1 3.27Å; H71-R198 PolarHBondContact CE1-NH1 2.9Å; H71-R198 PolarHBondContact NE2-NH1 2.99Å
72L86.7Confident73.9Confident18 Ų1870.5 Ų70.59%0.09439%0.385CS..EExtended strand (participates in β ladder)trans-78.4138.8170.6-169.869.6000110L52 T74 G89 P195L52-L72 WeakPolarHBondContact O-CD1 3.47Å; L72-T74 PolarHBondContact O-N 2.87Å; L72-G89 VanDerWaalsContact CD1-CA 3.48Å; L72-P195 HydrophobicContact CD2-CB 4.39Å
73S79.1Confident72.3Confident28 Ų2869.5 Ų69.520%0.19639%0.385CS..  trans-67.4117.2170.7-169.70000110.4L52 S75L52-S73 WeakPolarHBondContact O-CB 3.36Å; L52-S73 PolarHBondContact O-N 2.68Å; S73-S75 VanDerWaalsContact C-N 3.27Å; S73-S75 PolarHBondContact OG-N 3.36Å; S73-S75 PolarHBondContact OG-OG 2.93Å
74T67Low70.6Confident99 Ų9973.9 Ų73.961%0.60740%0.404SS*.  trans-87.13.1173.3550000112.7L72 P76L72-T74 PolarHBondContact O-N 2.87Å; T74-P76 WeakPolarHBondContact O-CD 3.33Å
75S58.9Low68.9Low57 Ų5771.5 Ų71.540%0.39940%0.395SS..  trans-60.4123.2176.762.90000109.8S73 F77S73-S75 VanDerWaalsContact C-N 3.27Å; S73-S75 PolarHBondContact OG-N 3.36Å; S73-S75 PolarHBondContact OG-OG 2.93Å; S75-F77 PolarHBondContact O-N 3.33Å
76P50.7Low67.5Low75 Ų7574.6 Ų74.649%0.48741%0.411SS..  trans-65.2101.8168.927.7-32.4000108.1T74 F78T74-P76 WeakPolarHBondContact O-CD 3.33Å; P76-F78 HydrophobicContact CB-CD2 4.14Å; P76-F78 HydrophobicContact CB-CE1 4.34Å; P76-F78 HydrophobicContact CB-CE2 3.92Å; P76-F78 HydrophobicContact CB-CG 4.47Å; P76-F78 HydrophobicContact CB-CZ 4.02Å; P76-F78 HydrophobicContact CG-CD2 4.16Å; P76-F78 HydrophobicContact CG-CE2 3.54Å; P76-F78 HydrophobicContact CG-CZ 3.77Å; P76-F78 VanDerWaalsContact O-CD2 3.31Å; P76-F78 WeakPolarHBondContact O-CD2 3.49Å; P76-F78 PolarHBondContact O-N 3.44Å
77F51.2Low66.6Low113 Ų11375 Ų7550%0.49642%0.417SS..  trans-64.294.1151.8-74.8-81.2000105.6L52 S75 V79L52-F77 HydrophobicContact CD2-CD2 4.31Å; L52-F77 HydrophobicContact CD2-CE2 3.75Å; L52-F77 HydrophobicContact CD2-CZ 4.4Å; S75-F77 PolarHBondContact O-N 3.33Å; F77-V79 PolarHBondContact O-N 2.82Å
78F40.7Very low66.1Low180 Ų18080.4 Ų80.479%0.78944%0.442SS*.  trans-63.892.1172.4-69.7-82.5000107.8P76P76-F78 HydrophobicContact CB-CD2 4.14Å; P76-F78 HydrophobicContact CB-CE1 4.34Å; P76-F78 HydrophobicContact CB-CE2 3.92Å; P76-F78 HydrophobicContact CB-CG 4.47Å; P76-F78 HydrophobicContact CB-CZ 4.02Å; P76-F78 HydrophobicContact CG-CD2 4.16Å; P76-F78 HydrophobicContact CG-CE2 3.54Å; P76-F78 HydrophobicContact CG-CZ 3.77Å; P76-F78 VanDerWaalsContact O-CD2 3.31Å; P76-F78 WeakPolarHBondContact O-CD2 3.49Å; P76-F78 PolarHBondContact O-N 3.44Å
79V46.5Very low65.6Low72 Ų7280.4 Ų80.444%0.43644%0.442SS..  trans-58.4137.3149.7-174.70000105.6F77 S81 L85F77-V79 PolarHBondContact O-N 2.82Å; V79-S81 CarbonylContact O-C 3.52Å; V79-S81 PolarHBondContact O-N 2.91Å; V79-L85 HydrophobicContact CG2-CB 4.06Å; V79-L85 HydrophobicContact CG2-CD2 4.02Å
80E48.2Very low65.5Low209 Ų20982.1 Ų82.198%0.97745%0.454SS*.SBendtrans-64.7-8.9-177.3-66.9-179.9129.100113.2
81S48.6Very low65.5Low80 Ų8082.1 Ų82.156%0.55945%0.454SS*.SBendtrans-93123.8162.4-153.40000109V79 D83V79-S81 CarbonylContact O-C 3.52Å; V79-S81 PolarHBondContact O-N 2.91Å; S81-D83 PolarHBondContact O-N 3.18Å
82G50.4Low65.8Low85 Ų8584.6 Ų84.688%0.87646%0.462SS*.SBendtrans-65.116.6-166.400000118
83D53.6Low66.2Low132 Ų13283.7 Ų83.771%0.70646%0.457SS*.  trans-73.3124168.5-78.5-33.5000110.4S81 L85S81-D83 PolarHBondContact O-N 3.18Å; D83-L85 VanDerWaalsContact C-N 3.33Å; D83-L85 PolarHBondContact O-N 2.91Å
84K54.7Low67Low155 Ų15584.3 Ų84.367%0.67446%0.455SS*.  trans-66.292.4170.6-177.5-177.7179.61790108.8I86K84-I86 WeakPolarHBondContact O-CG1 3.47Å; K84-I86 PolarHBondContact O-N 3Å
85L53.8Low68.3Low106 Ų10679.7 Ų79.756%0.55543%0.427SS*.  trans-62.6100179.3-168.477.9000110.1V79 D83 V87V79-L85 HydrophobicContact CG2-CB 4.06Å; V79-L85 HydrophobicContact CG2-CD2 4.02Å; D83-L85 VanDerWaalsContact C-N 3.33Å; D83-L85 PolarHBondContact O-N 2.91Å; L85-V87 HydrophobicContact CD2-CG2 3.56Å; L85-V87 HydrophobicContact CG-CG2 3.73Å; L85-V87 PolarHBondContact O-N 3.22Å
86I64.1Low69.8Low82 Ų8277.7 Ų77.742%0.42142%0.416SS..  trans-85102174.1-38.4179.9000107.3K84 A192K84-I86 WeakPolarHBondContact O-CG1 3.47Å; K84-I86 PolarHBondContact O-N 3Å; I86-A192 WeakPolarHBondContact O-CB 3.42Å
87V74.6Confident71.6Confident58 Ų5878.5 Ų78.535%0.35241%0.413SS..  trans-91153-179.7-165.40000109.9L52 L85 G89L52-V87 HydrophobicContact CD1-CB 4.27Å; L52-V87 HydrophobicContact CD1-CG1 3.71Å; L85-V87 HydrophobicContact CD2-CG2 3.56Å; L85-V87 HydrophobicContact CG-CG2 3.73Å; L85-V87 PolarHBondContact O-N 3.22Å; V87-G89 PolarHBondContact O-N 3.26Å
88E84.6Confident73.4Confident112 Ų11273.5 Ų73.552%0.52339%0.392SS..  trans-62.9127.4164.6-179.4173.213200109.6T189E88-T189 HydrophobicContact CG-CG2 3.65Å; E88-T189 VanDerWaalsContact OE1-CG2 3.25Å; E88-T189 WeakPolarHBondContact OE1-CG2 3.47Å
89G86.8Confident75.6Confident0 Ų073.6 Ų73.60%039%0.387CS..EExtended strand (participates in β ladder)trans-104.9131.5178.100000111L72 V87 T189 I190L72-G89 VanDerWaalsContact CD1-CA 3.48Å; V87-G89 PolarHBondContact O-N 3.26Å; G89-T189 CarbonylContact O-C 3.59Å; G89-T189 WeakPolarHBondContact O-CA 3.45Å; G89-I190 PolarHBondContact N-O 3.08Å; G89-I190 PolarHBondContact O-N 2.87Å
90S91.5Very high77.1Confident36 Ų3672 Ų7225%0.25238%0.379SS..EExtended strand (participates in β ladder)trans-130.7140.7173.1-163.60000109.4G188 T189S90-G188 VanDerWaalsContact CA-O 3.26Å; S90-G188 WeakPolarHBondContact CA-O 3.39Å; S90-G188 PolarHBondContact OG-O 2.89Å; S90-T189 PolarHBondContact OG-OG1 3Å
91A94.5Very high78.4Confident0 Ų067.5 Ų67.50%036%0.358CS..EExtended strand (participates in β ladder)trans-142.5149.917400000112.8D50 A53 W55 L70 E187 G188D50-A91 HydrophobicContact CB-CB 4.1Å; D50-A91 VanDerWaalsContact OD2-CA 3.3Å; D50-A91 WeakPolarHBondContact OD2-CA 3.44Å; A53-A91 HydrophobicContact CB-CB 4.06Å; A53-A91 VanDerWaalsContact O-CB 3.25Å; A53-A91 WeakPolarHBondContact O-CB 3.44Å; W55-A91 PolarHBondContact NE1-O 3.01Å; L70-A91 HydrophobicContact CD1-CB 3.43Å; L70-A91 VanDerWaalsContact CD1-CB 3.43Å; A91-E187 WeakPolarHBondContact O-CA 3.32Å; A91-G188 PolarHBondContact N-O 3.48Å; A91-G188 PolarHBondContact O-N 2.97Å; A91-G188 VanDerWaalsContact O-N 3.07Å
92R95.6Very high79.3Confident79 Ų7968.6 Ų68.630%0.29836%0.362SS..EExtended strand (participates in β ladder)trans-115.6125.1-175.2-68.1171.3176.4150.24.4112.4D47 D50 I185 L186 E187D47-R92 HydrophobicContact CB-CB 3.93Å; D47-R92 WeakPolarHBondContact CB-O 3.32Å; D47-R92 PolarHBondContact N-O 2.92Å; D50-R92 WeakPolarHBondContact OD2-CB 3.15Å; D50-R92 PolarHBondContact OD2-N 3.32Å; R92-I185 HydrophobicContact CB-CG2 3.87Å; R92-I185 HydrophobicContact CG-CG2 3.99Å; R92-L186 CarbonylContact C-O 3.52Å; R92-L186 WeakPolarHBondContact CA-O 3.4Å; R92-E187 HydrophobicContact CG-CB 4.07Å; R92-E187 HydrophobicContact CG-CG 4Å; R92-E187 IonicContact CZ-OE1 2.72Å; R92-E187 IonicContact NE-OE1 3.18Å; R92-E187 PolarHBondContact NE-OE1 3.26Å; R92-E187 IonicContact NH2-OE1 2.79Å; R92-E187 PolarHBondContact NH2-OE1 3.07Å
93L95.6Very high80Confident0 Ų069.5 Ų69.50%035%0.351CS..EExtended strand (participates in β ladder)trans-102.3118170-165.673.3000109.3F41 W44 D46 W55 A68 I185 L186F41-L93 HydrophobicContact CD1-CD1 3.66Å; F41-L93 HydrophobicContact CD1-CD2 4.35Å; F41-L93 HydrophobicContact CE1-CD1 3.65Å; W44-L93 HydrophobicContact CB-CD1 4.28Å; W44-L93 HydrophobicContact CB-CD2 4.18Å; W44-L93 HydrophobicContact CB-CG 4.04Å; W44-L93 HydrophobicContact CD2-CD2 4.29Å; W44-L93 HydrophobicContact CD2-CG 4.43Å; W44-L93 HydrophobicContact CE3-CB 4.38Å; W44-L93 HydrophobicContact CE3-CD2 4Å; W44-L93 HydrophobicContact CE3-CG 3.86Å; W44-L93 HydrophobicContact CG-CD2 4.4Å; W44-L93 WeakPolarHBondContact CZ3-O 3.4Å; D46-L93 HydrophobicContact CB-CD1 4.48Å; W55-L93 HydrophobicContact CB-CD1 3.94Å; W55-L93 HydrophobicContact CD2-CB 4.19Å; W55-L93 HydrophobicContact CG-CB 3.96Å; W55-L93 HydrophobicContact CG-CD1 4.15Å; W55-L93 HydrophobicContact CG-CG 4.48Å; A68-L93 HydrophobicContact CB-CD2 4.32Å; L93-I185 WeakPolarHBondContact O-CA 3.39Å; L93-L186 HydrophobicContact CB-CB 4.31Å; L93-L186 PolarHBondContact N-O 2.77Å; L93-L186 PolarHBondContact O-N 2.79Å
94W95.1Very high80.6Confident40 Ų4068.1 Ų68.115%0.15234%0.344CS..EExtended strand (participates in β ladder)trans-99.8132.6-176.4-69.380.9000111.8W44 N45 D47 H131 K183 I185W44-W94 CarbonylContact C-O 3.57Å; W44-W94 WeakPolarHBondContact CA-O 3.41Å; N45-W94 PolarHBondContact N-O 3Å; N45-W94 PolarHBondContact O-N 2.85Å; D47-W94 PolarHBondContact OD2-NE1 3.38Å; W94-H131 HydrophobicContact CZ3-CB 3.95Å; W94-H131 AromaticContact CZ3-CG 3.94Å; W94-K183 HydrophobicContact CE3-CB 4.17Å; W94-K183 HydrophobicContact CE3-CD 4.05Å; W94-I185 HydrophobicContact CD2-CD1 4.31Å; W94-I185 HydrophobicContact CD2-CG1 3.92Å; W94-I185 HydrophobicContact CE3-CD1 3.97Å; W94-I185 HydrophobicContact CE3-CG1 3.64Å; W94-I185 HydrophobicContact CH2-CD1 3.41Å; W94-I185 VanDerWaalsContact CH2-CD1 3.41Å; W94-I185 HydrophobicContact CH2-CG1 4.06Å; W94-I185 HydrophobicContact CZ2-CD1 3.76Å; W94-I185 HydrophobicContact CZ2-CG1 4.3Å; W94-I185 HydrophobicContact CZ3-CD1 3.53Å; W94-I185 HydrophobicContact CZ3-CG1 3.72Å
95S94.2Very high81.9Confident2 Ų263.4 Ų63.41%0.01432%0.323CS..PPolyproline II helixtrans-72.5168.117678.30000113W44 L184W44-S95 VanDerWaalsContact CE3-N 3.26Å; S95-L184 PolarHBondContact N-O 3.36Å; S95-L184 PolarHBondContact OG-N 2.82Å
96G90.6Very high83.5Confident16 Ų1659 Ų5917%0.16530%0.301CS..PPolyproline II helixtrans-58.6159.2158.500000111.2P31 G43 V98P31-G96 WeakPolarHBondContact O-CA 3.42Å; P31-G96 PolarHBondContact O-N 3.14Å; P31-G96 VanDerWaalsContact O-N 3.11Å; G43-G96 PolarHBondContact O-N 2.79Å; G96-V98 PolarHBondContact O-N 3.47Å
97Q89.4Confident84.8Confident92 Ų9258.8 Ų58.843%0.4330%0.297SS..PPolyproline II helixtrans-76.4116.8-178.8-177.6162.9-24.500111.1R99 D181 K183Q97-R99 PolarHBondContact O-N 3.16Å; Q97-D181 HydrophobicContact CG-CB 4.27Å; Q97-D181 PolarHBondContact NE2-OD2 2.94Å; Q97-K183 HydrophobicContact CB-CG 4.36Å
98V89.2Confident85.6Confident8 Ų856 Ų565%0.04828%0.281CS..BIsolated β-bridgetrans-78117.4172.2-1720000108.3P31 V32 G96 I106 D181 Y182P31-V98 HydrophobicContact CG-CG2 4.3Å; V32-V98 HydrophobicContact CG2-CG2 3.4Å; G96-V98 PolarHBondContact O-N 3.47Å; V98-I106 HydrophobicContact CG1-CD1 3.87Å; V98-I106 HydrophobicContact CG1-CG1 4.45Å; V98-I106 HydrophobicContact CG2-CD1 4.09Å; V98-D181 VanDerWaalsContact O-CA 3.31Å; V98-D181 WeakPolarHBondContact O-CA 3.1Å; V98-Y182 HydrophobicContact CB-CD1 4.22Å; V98-Y182 HydrophobicContact CB-CD2 4.12Å; V98-Y182 HydrophobicContact CB-CE1 3.95Å; V98-Y182 HydrophobicContact CB-CE2 3.84Å; V98-Y182 HydrophobicContact CB-CG 4.31Å; V98-Y182 HydrophobicContact CG1-CD1 4.49Å; V98-Y182 HydrophobicContact CG1-CE1 3.79Å; V98-Y182 HydrophobicContact CG1-CE2 4.22Å; V98-Y182 HydrophobicContact CG2-CD2 4.15Å; V98-Y182 HydrophobicContact CG2-CE2 3.71Å; V98-Y182 PolarHBondContact N-O 2.86Å; V98-Y182 PolarHBondContact O-N 3.37Å
99R86.9Confident86.1Confident182 Ų18250.8 Ų50.869%0.68726%0.256SS*.PPolyproline II helixtrans-81135.6175.5-68.9-177.6178.7160.81110.9Q97 H101 D181Q97-R99 PolarHBondContact O-N 3.16Å; R99-H101 PolarHBondContact O-N 2.82Å; R99-D181 VanDerWaalsContact CA-OD1 3.26Å; R99-D181 WeakPolarHBondContact CA-OD1 3.32Å
100S77.9Confident86.5Confident38 Ų3850.9 Ų50.927%0.26626%0.257SS..  trans-77.657.7179.157.70000112.9N179 D181S100-N179 PolarHBondContact OG-O 3.33Å; S100-D181 PolarHBondContact N-OD1 2.87Å; S100-D181 PolarHBondContact OG-OD1 2.99Å
101H73.9Confident86.7Confident115 Ų11549.2 Ų49.253%0.53225%0.246SC..  trans-83.8136.5178.2-152.565.4000110.9R99 T103 N104 K105R99-H101 PolarHBondContact O-N 2.82Å; H101-T103 VanDerWaalsContact C-N 3.3Å; H101-T103 PolarHBondContact CD2-OG1 3.33Å; H101-T103 PolarHBondContact O-N 3.01Å; H101-N104 PolarHBondContact O-N 3.24Å; H101-K105 WeakPolarHBondContact O-CG 3.42Å
102P67.8Low86.6Confident102 Ų10252.7 Ų52.766%0.66226%0.261SS*.THydrogen-bonded Turntrans-65.6-26.3-169.523.2-34000114.8
103T66.1Low86.6Confident104 Ų10449.3 Ų49.364%0.63825%0.248SC*.THydrogen-bonded Turntrans-87.8-25.5-17654.50000114.5H101H101-T103 VanDerWaalsContact C-N 3.3Å; H101-T103 PolarHBondContact CD2-OG1 3.33Å; H101-T103 PolarHBondContact O-N 3.01Å
104N65.4Low86.4Confident103 Ų10349.4 Ų49.455%0.55125%0.248SC*.  trans-123.152-174-70.6-8.7000111.2H101 I106H101-N104 PolarHBondContact O-N 3.24Å; N104-I106 PolarHBondContact O-N 2.94Å
105K81.9Confident86.1Confident56 Ų5647.5 Ų47.524%0.24324%0.241CC..  trans-78.1117.2173.9-62.8-161.6179.5-157.30109.7H101 Q107 T178 N179H101-K105 WeakPolarHBondContact O-CG 3.42Å; K105-Q107 PolarHBondContact O-N 3.06Å; K105-T178 PolarHBondContact NZ-O 3.32Å; K105-N179 PolarHBondContact NZ-OD1 2.84Å
106I88.4Confident85.8Confident15 Ų1549 Ų498%0.07725%0.249CC..  trans-67.4123.9168.7-50.8170.8000107.3V32 V98 N104 C108 L175 Y207V32-I106 HydrophobicContact CB-CD1 4.41Å; V32-I106 HydrophobicContact CG2-CD1 3.85Å; V98-I106 HydrophobicContact CG1-CD1 3.87Å; V98-I106 HydrophobicContact CG1-CG1 4.45Å; V98-I106 HydrophobicContact CG2-CD1 4.09Å; N104-I106 PolarHBondContact O-N 2.94Å; I106-C108 WeakPolarHBondContact CG2-O 3.36Å; I106-L175 HydrophobicContact CB-CD1 4.24Å; I106-L175 HydrophobicContact CG2-CD1 3.74Å; I106-Y207 CarbonylContact C-O 3.57Å; I106-Y207 WeakPolarHBondContact CA-O 3.48Å; I106-Y207 WeakPolarHBondContact CG2-O 3.42Å
107Q89.8Confident85.4Confident76 Ų7650.5 Ų50.536%0.35525%0.251SS..  trans-110.4-22.5-178.7-68.5-172.158.300112.8K105 L175 Y207 T208K105-Q107 PolarHBondContact O-N 3.06Å; Q107-L175 PolarHBondContact O-N 3.1Å; Q107-Y207 PolarHBondContact N-O 3.49Å; Q107-T208 VanDerWaalsContact CD-O 3.29Å; Q107-T208 WeakPolarHBondContact CG-O 3.48Å; Q107-T208 PolarHBondContact NE2-O 3.39Å
108C92.9Very high84.8Confident0 Ų052.6 Ų52.60%027%0.265CS..EExtended strand (participates in β ladder)trans-138.5143.5176.7-177.20000110.8I106 M172 Y207 E209 C211 L214I106-C108 WeakPolarHBondContact CG2-O 3.36Å; C108-M172 WeakPolarHBondContact SG-CE 3.02Å; C108-Y207 HydrophobicContact CB-CD2 4.44Å; C108-Y207 PolarHBondContact N-O 3.2Å; C108-Y207 VanDerWaalsContact N-O 3.15Å; C108-Y207 PolarHBondContact O-N 3.19Å; C108-E209 WeakPolarHBondContact CB-O 3.43Å; C108-E209 PolarHBondContact N-O 2.95Å; C108-C211 HydrophobicContact CB-CB 4.02Å; C108-C211 WeakPolarHBondContact CB-SG 3.47Å; C108-C211 WeakPolarHBondContact SG-CA 3.43Å; C108-C211 WeakPolarHBondContact SG-CB 3.31Å; C108-C211 CovalentContact SG-SG 2.03Å; C108-C211 PolarHBondContact SG-SG 3.19Å; C108-L214 HydrophobicContact CB-CD1 4.05Å
109L94.8Very high83.8Confident2 Ų259.6 Ų59.61%0.0130%0.295CS..EExtended strand (participates in β ladder)trans-117.7121.2171.8-172.575.7000109.4V32 F111 L128 M172 V173 L175 L184 I204V32-L109 HydrophobicContact CG1-CD1 3.48Å; V32-L109 VanDerWaalsContact CG1-CD1 3.48Å; L109-F111 HydrophobicContact CD2-CD1 4.34Å; L109-L128 HydrophobicContact CD2-CD1 4.08Å; L109-L128 HydrophobicContact CD2-CD2 3.63Å; L109-M172 CarbonylContact O-C 3.58Å; L109-M172 WeakPolarHBondContact O-CA 3.37Å; L109-V173 PolarHBondContact N-O 2.87Å; L109-V173 PolarHBondContact O-N 2.87Å; L109-L175 HydrophobicContact CB-CD1 4.29Å; L109-L175 HydrophobicContact CB-CG 4.34Å; L109-L184 HydrophobicContact CD1-CD1 4.26Å; L109-L184 HydrophobicContact CD2-CD1 4.01Å; L109-I204 HydrophobicContact CD1-CG2 3.87Å; L109-I204 HydrophobicContact CG-CG2 4.49Å
110G94.4Very high82.9Confident2 Ų262.1 Ų62.12%0.02131%0.305CS..EExtended strand (participates in β ladder)trans-97.9142.8166.300000110.8I171 I204 T205G110-I171 WeakPolarHBondContact CA-O 3.46Å; G110-I204 CarbonylContact O-C 3.47Å; G110-I204 WeakPolarHBondContact O-CA 3.2Å; G110-T205 PolarHBondContact N-O 2.87Å; G110-T205 PolarHBondContact O-N 2.89Å
111F95.4Very high82.4Confident2 Ų262 Ų621%0.00930%0.3CS..EExtended strand (participates in β ladder)trans-151.6161.9164.363.9-85000110L109 Y113 L126 L128 F157 I171 V173 V201 I204L109-F111 HydrophobicContact CD2-CD1 4.34Å; F111-Y113 HydrophobicContact CE2-CD1 4.07Å; F111-Y113 HydrophobicContact CE2-CG 4.5Å; F111-L126 HydrophobicContact CE2-CD2 3.98Å; F111-L128 HydrophobicContact CE1-CD2 4.27Å; F111-F157 AromaticContact CZ-CD1 3.86Å; F111-F157 HydrophobicContact CZ-CD1 3.86Å; F111-F157 AromaticContact CZ-CE1 3.97Å; F111-F157 HydrophobicContact CZ-CE1 3.97Å; F111-I171 HydrophobicContact CD1-CB 4.42Å; F111-I171 HydrophobicContact CE1-CB 3.96Å; F111-I171 HydrophobicContact CE1-CG2 3.84Å; F111-I171 HydrophobicContact CE2-CB 4.13Å; F111-I171 HydrophobicContact CE2-CG1 4.25Å; F111-I171 HydrophobicContact CZ-CB 3.81Å; F111-I171 HydrophobicContact CZ-CG1 4.2Å; F111-I171 HydrophobicContact CZ-CG2 3.85Å; F111-I171 PolarHBondContact N-O 3.29Å; F111-I171 PolarHBondContact O-N 2.6Å; F111-V173 HydrophobicContact CE1-CG2 3.98Å; F111-V201 HydrophobicContact CB-CG1 4.45Å; F111-V201 HydrophobicContact CD2-CG1 4.1Å; F111-I204 HydrophobicContact CB-CB 4.48Å; F111-I204 HydrophobicContact CB-CG1 4.03Å
112K94.1Very high82Confident73 Ų7359.6 Ų59.632%0.31730%0.295SS..EExtended strand (participates in β ladder)trans-109.4147.7169-57.1176.7-170.81640109.1W168 L169 K170 V201 D202 N203K112-W168 HydrophobicContact CB-CD2 4.49Å; K112-W168 HydrophobicContact CB-CE3 3.67Å; K112-W168 HydrophobicContact CB-CZ3 4.24Å; K112-L169 WeakPolarHBondContact CA-O 3.31Å; K112-K170 HydrophobicContact CG-CB 4.45Å; K112-K170 HydrophobicContact CG-CG 4.49Å; K112-V201 WeakPolarHBondContact O-CA 3.16Å; K112-D202 PolarHBondContact N-O 2.93Å; K112-D202 PolarHBondContact O-N 2.88Å; K112-N203 HydrophobicContact CD-CB 4.34Å
113Y94.1Very high82.4Confident8 Ų859.1 Ų59.13%0.03128%0.284CS..EExtended strand (participates in β ladder)trans-142.1152.7167.378.5-68.6000111.8F111 V115 L126 F157 L163 L169 I171 C200F111-Y113 HydrophobicContact CE2-CD1 4.07Å; F111-Y113 HydrophobicContact CE2-CG 4.5Å; Y113-V115 HydrophobicContact CD2-CG2 4.15Å; Y113-V115 HydrophobicContact CE2-CG2 4.2Å; Y113-L126 HydrophobicContact CD1-CD2 4.33Å; Y113-L126 HydrophobicContact CD2-CD2 3.64Å; Y113-L126 HydrophobicContact CE2-CD2 4.3Å; Y113-L126 HydrophobicContact CG-CD2 3.64Å; Y113-F157 HydrophobicContact CE1-CZ 4.29Å; Y113-L163 HydrophobicContact CE2-CD2 3.58Å; Y113-L169 HydrophobicContact CD1-CB 3.97Å; Y113-L169 WeakPolarHBondContact CD1-O 3.5Å; Y113-L169 HydrophobicContact CE1-CB 3.58Å; Y113-L169 HydrophobicContact CE1-CD1 4.11Å; Y113-L169 HydrophobicContact CE1-CG 4.5Å; Y113-L169 HydrophobicContact CE2-CD1 4.5Å; Y113-L169 PolarHBondContact N-O 2.95Å; Y113-L169 PolarHBondContact O-N 2.86Å; Y113-I171 HydrophobicContact CD1-CG1 3.87Å; Y113-I171 HydrophobicContact CE1-CD1 3.94Å; Y113-I171 HydrophobicContact CE1-CG1 3.52Å; Y113-C200 CarbonylContact C-O 3.3Å; Y113-C200 WeakPolarHBondContact CA-O 3.47Å; Y113-C200 WeakPolarHBondContact CB-O 3.36Å
114I91.3Very high83.3Confident1 Ų154.4 Ų54.41%0.00526%0.255CS..EExtended strand (participates in β ladder)trans-134.7150.7173.9-170.4166.4000108.5F63 L116 S165 W168 C200F63-I114 HydrophobicContact CE1-CD1 4.2Å; F63-I114 HydrophobicContact CE2-CD1 3.81Å; F63-I114 HydrophobicContact CZ-CD1 3.41Å; F63-I114 VanDerWaalsContact CZ-CD1 3.41Å; I114-L116 HydrophobicContact CD1-CD2 3.86Å; I114-L116 HydrophobicContact CG1-CD2 3.98Å; I114-L116 HydrophobicContact CG2-CD2 4.36Å; I114-L116 HydrophobicContact CG2-CG 4.42Å; I114-S165 WeakPolarHBondContact CG1-O 3.34Å; I114-W168 HydrophobicContact CB-CD2 3.86Å; I114-W168 HydrophobicContact CB-CE3 3.91Å; I114-W168 HydrophobicContact CB-CG 4.31Å; I114-W168 HydrophobicContact CB-CZ2 4.5Å; I114-W168 HydrophobicContact CB-CZ3 4.28Å; I114-W168 HydrophobicContact CD1-CG 4.5Å; I114-W168 HydrophobicContact CG2-CD2 3.87Å; I114-W168 HydrophobicContact CG2-CE3 3.87Å; I114-W168 HydrophobicContact CG2-CH2 3.65Å; I114-W168 HydrophobicContact CG2-CZ2 3.59Å; I114-W168 HydrophobicContact CG2-CZ3 3.77Å; I114-C200 HydrophobicContact CG2-CB 3.77Å; I114-C200 PolarHBondContact N-O 2.78Å; I114-C200 PolarHBondContact O-N 3.45Å
115V89.8Confident84.5Confident1 Ų154.2 Ų54.21%0.00625%0.247CC..EExtended strand (participates in β ladder)trans-123.1105.2179.2179.40000108Y113 F117 L121 I124 L163 S165 R198 I199Y113-V115 HydrophobicContact CD2-CG2 4.15Å; Y113-V115 HydrophobicContact CE2-CG2 4.2Å; V115-F117 HydrophobicContact CG1-CD1 4.02Å; V115-F117 HydrophobicContact CG1-CE1 4.41Å; V115-F117 WeakPolarHBondContact O-CD1 3.39Å; V115-F117 WeakPolarHBondContact O-CE1 3.49Å; V115-L121 HydrophobicContact CG1-CD1 4.01Å; V115-I124 HydrophobicContact CG1-CB 4.18Å; V115-I124 HydrophobicContact CG1-CD1 3.72Å; V115-I124 HydrophobicContact CG1-CG1 4.47Å; V115-I124 HydrophobicContact CG1-CG2 3.76Å; V115-I124 HydrophobicContact CG2-CG2 4.01Å; V115-L163 HydrophobicContact CB-CD1 4.44Å; V115-L163 HydrophobicContact CB-CD2 4.41Å; V115-L163 HydrophobicContact CG2-CD1 4.01Å; V115-L163 HydrophobicContact CG2-CD2 3.89Å; V115-L163 HydrophobicContact CG2-CG 4.47Å; V115-S165 WeakPolarHBondContact O-CA 3.44Å; V115-R198 CarbonylContact C-O 3.59Å; V115-R198 VanDerWaalsContact CA-O 3.32Å; V115-R198 WeakPolarHBondContact CA-O 3.47Å; V115-I199 HydrophobicContact CG2-CG2 4.28Å
116L87.1Confident85.1Confident32 Ų3251.6 Ų51.617%0.16824%0.235CC..EExtended strand (participates in β ladder)trans-89.8126.5-174-56.7172.9000109.5L60 F63 I114 A197 R198L60-L116 HydrophobicContact CD2-CD1 4.09Å; F63-L116 HydrophobicContact CE2-CD2 4.34Å; I114-L116 HydrophobicContact CD1-CD2 3.86Å; I114-L116 HydrophobicContact CG1-CD2 3.98Å; I114-L116 HydrophobicContact CG2-CD2 4.36Å; I114-L116 HydrophobicContact CG2-CG 4.42Å; L116-A197 WeakPolarHBondContact O-CA 3.39Å; L116-R198 PolarHBondContact N-O 2.9Å; L116-R198 PolarHBondContact O-N 2.87Å
117F83.2Confident85.4Confident49 Ų4952.2 Ų52.222%0.21524%0.239CC..  trans-157.7143.4-179.658.2-90.7000115.4V115 K119 L121 A197V115-F117 HydrophobicContact CG1-CD1 4.02Å; V115-F117 HydrophobicContact CG1-CE1 4.41Å; V115-F117 WeakPolarHBondContact O-CD1 3.39Å; V115-F117 WeakPolarHBondContact O-CE1 3.49Å; F117-K119 WeakPolarHBondContact CD2-O 3.38Å; F117-L121 HydrophobicContact CB-CD1 3.54Å; F117-L121 HydrophobicContact CB-CG 4.04Å; F117-L121 HydrophobicContact CD1-CD1 3.5Å; F117-L121 VanDerWaalsContact CD1-CD1 3.5Å; F117-L121 HydrophobicContact CD1-CG 4.45Å; F117-L121 HydrophobicContact CD2-CD1 4.28Å; F117-L121 HydrophobicContact CD2-CG 4.43Å; F117-L121 HydrophobicContact CE1-CD1 4.18Å; F117-L121 HydrophobicContact CG-CD1 3.52Å; F117-L121 HydrophobicContact CG-CG 4.08Å; F117-A197 HydrophobicContact CB-CB 4.3Å
118N75.6Confident85.7Confident136 Ų13648.6 Ų48.673%0.72722%0.222SC*.SBendtrans-84.3-14.3176.4-67.1-29.9000114.5
119K69.3Low85.8Confident155 Ų15549.7 Ų49.767%0.67423%0.227SC*.SBendtrans-142.7145-172.5-67-179.6-178.2173.10110.5F117 L121 Y194F117-K119 WeakPolarHBondContact CD2-O 3.38Å; K119-L121 PolarHBondContact O-N 2.88Å; K119-Y194 HydrophobicContact CB-CE1 4.27Å
120R68.4Low85.8Confident235 Ų23550 Ų5089%0.88723%0.228SC*.  trans-48110.9175.3-70.3-173.8-179.6-178.80.6110.7Y194R120-Y194 PolarHBondContact O-OH 2.82Å
121L67.8Low85.7Confident34 Ų3451.8 Ų51.818%0.17824%0.236CC..  trans-82.4134.5177-77.4162.3000109.9V115 F117 K119 I124 P191 Y194 A197V115-L121 HydrophobicContact CG1-CD1 4.01Å; F117-L121 HydrophobicContact CB-CD1 3.54Å; F117-L121 HydrophobicContact CB-CG 4.04Å; F117-L121 HydrophobicContact CD1-CD1 3.5Å; F117-L121 VanDerWaalsContact CD1-CD1 3.5Å; F117-L121 HydrophobicContact CD1-CG 4.45Å; F117-L121 HydrophobicContact CD2-CD1 4.28Å; F117-L121 HydrophobicContact CD2-CG 4.43Å; F117-L121 HydrophobicContact CE1-CD1 4.18Å; F117-L121 HydrophobicContact CG-CD1 3.52Å; F117-L121 HydrophobicContact CG-CG 4.08Å; K119-L121 PolarHBondContact O-N 2.88Å; L121-I124 HydrophobicContact CD1-CB 4.36Å; L121-I124 HydrophobicContact CD1-CD1 3.41Å; L121-I124 VanDerWaalsContact CD1-CD1 3.41Å; L121-I124 HydrophobicContact CD1-CG1 3.78Å; L121-I124 HydrophobicContact CD2-CD1 4.04Å; L121-I124 HydrophobicContact CD2-CG1 4.06Å; L121-I124 HydrophobicContact CG-CD1 4.35Å; L121-I124 HydrophobicContact CG-CG1 4.42Å; L121-P191 HydrophobicContact CD2-CG 4.29Å; L121-Y194 HydrophobicContact CD2-CD1 3.33Å; L121-Y194 HydrophobicContact CD2-CD2 3.92Å; L121-Y194 HydrophobicContact CD2-CE1 3.92Å; L121-Y194 HydrophobicContact CD2-CE2 4.47Å; L121-Y194 HydrophobicContact CD2-CG 3.32Å; L121-Y194 HydrophobicContact CG-CD1 4.19Å; L121-Y194 HydrophobicContact CG-CE1 4.5Å; L121-A197 HydrophobicContact CD1-CB 4.11Å; L121-A197 HydrophobicContact CD2-CB 3.94Å
122P63.8Low85.5Confident66 Ų6652.5 Ų52.543%0.42924%0.241SC..SBendtrans-74.8-45175.527.5-32.4000111.3Y194P122-Y194 VanDerWaalsContact CD-CZ 3.43Å; P122-Y194 VanDerWaalsContact CD-OH 3.3Å; P122-Y194 WeakPolarHBondContact CD-OH 3.3Å; P122-Y194 HydrophobicContact CG-CE2 4.01Å
123H77.5Confident85.1Confident92 Ų9251.7 Ų51.743%0.42624%0.243SC..  trans-15581.5-172-60104.9000113.7P191H123-P191 WeakPolarHBondContact O-CD 3.49Å; H123-P191 WeakPolarHBondContact O-CG 3.33Å
124I85.2Confident84.4Confident5 Ų555 Ų553%0.02628%0.278CS..  trans-85.8142.4160.5-83.9-165.9000110V115 L121 L163 I190 P191 A197 I199V115-I124 HydrophobicContact CG1-CB 4.18Å; V115-I124 HydrophobicContact CG1-CD1 3.72Å; V115-I124 HydrophobicContact CG1-CG1 4.47Å; V115-I124 HydrophobicContact CG1-CG2 3.76Å; V115-I124 HydrophobicContact CG2-CG2 4.01Å; L121-I124 HydrophobicContact CD1-CB 4.36Å; L121-I124 HydrophobicContact CD1-CD1 3.41Å; L121-I124 VanDerWaalsContact CD1-CD1 3.41Å; L121-I124 HydrophobicContact CD1-CG1 3.78Å; L121-I124 HydrophobicContact CD2-CD1 4.04Å; L121-I124 HydrophobicContact CD2-CG1 4.06Å; L121-I124 HydrophobicContact CG-CD1 4.35Å; L121-I124 HydrophobicContact CG-CG1 4.42Å; I124-L163 HydrophobicContact CG2-CD1 4.38Å; I124-I190 HydrophobicContact CD1-CG1 4.1Å; I124-P191 HydrophobicContact CG1-CG 4.39Å; I124-A197 HydrophobicContact CD1-CB 3.84Å; I124-I199 HydrophobicContact CD1-CG1 4.35Å; I124-I199 HydrophobicContact CG2-CD1 3.56Å; I124-I199 HydrophobicContact CG2-CG1 3.62Å
125R89.8Confident83.9Confident99 Ų9957.4 Ų57.437%0.37430%0.296SS..EExtended strand (participates in β ladder)trans-132.1134.7-179.3-64.1178.4-179.4159.55.6111.5S159 G188 T189 I199R125-S159 WeakPolarHBondContact CA-OG 3.5Å; R125-G188 CarbonylContact O-C 3.46Å; R125-G188 WeakPolarHBondContact O-CA 3.43Å; R125-T189 PolarHBondContact N-O 2.04Å; R125-T189 PolarHBondContact O-N 2.8Å; R125-I199 WeakPolarHBondContact O-CD1 3.37Å
126L93.9Very high83.6Confident1 Ų159.4 Ų59.41%0.00531%0.309CS..EExtended strand (participates in β ladder)trans-121117.3165.218063.5000108.1W55 F111 Y113 K158 S159 L186 E187 I199 V201W55-L126 HydrophobicContact CH2-CD1 4.08Å; W55-L126 HydrophobicContact CZ2-CD1 4.32Å; F111-L126 HydrophobicContact CE2-CD2 3.98Å; Y113-L126 HydrophobicContact CD1-CD2 4.33Å; Y113-L126 HydrophobicContact CD2-CD2 3.64Å; Y113-L126 HydrophobicContact CE2-CD2 4.3Å; Y113-L126 HydrophobicContact CG-CD2 3.64Å; L126-K158 CarbonylContact O-C 3.55Å; L126-K158 WeakPolarHBondContact O-CA 3.36Å; L126-S159 PolarHBondContact N-OG 2.97Å; L126-S159 PolarHBondContact O-N 2.03Å; L126-L186 HydrophobicContact CD1-CD2 4.28Å; L126-E187 WeakPolarHBondContact CA-O 3.39Å; L126-I199 HydrophobicContact CB-CG2 4.29Å; L126-I199 HydrophobicContact CD1-CG2 4.3Å; L126-I199 HydrophobicContact CD2-CG2 4.22Å; L126-V201 HydrophobicContact CD1-CG2 4.31Å; L126-V201 HydrophobicContact CD2-CG2 3.83Å
127N95.2Very high83.5Confident28 Ų2862.8 Ų62.815%0.1533%0.326CS..EExtended strand (participates in β ladder)trans-105.8139.4175.1-54.5-41.2000109.4F157 K158 L186 E187N127-F157 CarbonylContact C-O 3.43Å; N127-F157 WeakPolarHBondContact CA-O 3.25Å; N127-K158 WeakPolarHBondContact OD1-CG 3.38Å; N127-L186 WeakPolarHBondContact O-CA 3.35Å; N127-E187 HydrophobicContact CB-CB 4.32Å; N127-E187 PolarHBondContact N-O 2.83Å; N127-E187 PolarHBondContact ND2-OE2 2.8Å; N127-E187 PolarHBondContact O-N 3.04Å
128L96.4Very high83.5Confident0 Ų064.8 Ų64.80%034%0.343CS..EExtended strand (participates in β ladder)trans-107.2129.4162-179.372.8000108.4L109 F111 L156 F157 V173 L184 I185 L186L109-L128 HydrophobicContact CD2-CD1 4.08Å; L109-L128 HydrophobicContact CD2-CD2 3.63Å; F111-L128 HydrophobicContact CE1-CD2 4.27Å; L128-L156 HydrophobicContact CD2-CB 4.14Å; L128-L156 HydrophobicContact CD2-CD1 4.04Å; L128-L156 HydrophobicContact CG-CB 4.26Å; L128-L156 HydrophobicContact CG-CD1 4.18Å; L128-L156 PolarHBondContact O-N 2.83Å; L128-F157 HydrophobicContact CB-CB 4.03Å; L128-F157 HydrophobicContact CB-CD1 4.48Å; L128-F157 PolarHBondContact N-O 3.43Å; L128-F157 PolarHBondContact O-N 3.33Å; L128-F157 VanDerWaalsContact O-N 3.16Å; L128-V173 HydrophobicContact CD2-CB 4.16Å; L128-V173 HydrophobicContact CD2-CG1 4.14Å; L128-V173 HydrophobicContact CD2-CG2 3.98Å; L128-L184 HydrophobicContact CD1-CB 4.4Å; L128-I185 CarbonylContact C-O 3.56Å; L128-I185 WeakPolarHBondContact CA-O 3.13Å; L128-L186 HydrophobicContact CB-CD2 4.35Å; L128-L186 HydrophobicContact CD1-CD2 3.72Å; L128-L186 HydrophobicContact CD1-CG 4.04Å
129M95Very high83.9Confident22 Ų2261.2 Ų61.211%0.10833%0.326CS..EExtended strand (participates in β ladder)trans-127.5156178.1-62.2176.9-84.300111.7N153 K154 L184 I185 E187M129-N153 HydrophobicContact CB-CB 4.18Å; M129-N153 HydrophobicContact SD-CB 3.85Å; M129-K154 CarbonylContact C-O 3.57Å; M129-K154 VanDerWaalsContact CA-O 3.31Å; M129-K154 WeakPolarHBondContact CA-O 3.3Å; M129-L184 CarbonylContact O-C 3.58Å; M129-L184 WeakPolarHBondContact O-CA 3.34Å; M129-I185 HydrophobicContact CB-CB 4.32Å; M129-I185 HydrophobicContact CE-CB 4.43Å; M129-I185 HydrophobicContact CE-CG2 4.21Å; M129-I185 PolarHBondContact N-O 3.15Å; M129-I185 PolarHBondContact O-N 2.9Å; M129-E187 HydrophobicContact CE-CB 3.54Å; M129-E187 HydrophobicContact CE-CG 4.18Å; M129-E187 WeakPolarHBondContact CE-OE2 3.36Å
130K93.6Very high84.5Confident9 Ų960.7 Ų60.74%0.03933%0.326CS..EExtended strand (participates in β ladder)trans-111.3124.1169.7-172.4167.676.1168.50110.5K154 L156 P176 T178 Y182 L184K130-K154 PolarHBondContact N-O 3.14Å; K130-K154 PolarHBondContact O-N 2.97Å; K130-L156 HydrophobicContact CB-CD1 3.89Å; K130-L156 HydrophobicContact CB-CD2 4.36Å; K130-L156 HydrophobicContact CB-CG 4.14Å; K130-P176 PolarHBondContact NZ-O 3.16Å; K130-P176 VanDerWaalsContact NZ-O 3.11Å; K130-T178 PolarHBondContact NZ-OG1 3.47Å; K130-Y182 HydrophobicContact CD-CD1 4.21Å; K130-Y182 HydrophobicContact CD-CD2 3.6Å; K130-Y182 HydrophobicContact CD-CE2 4.03Å; K130-Y182 HydrophobicContact CD-CG 3.7Å; K130-Y182 HydrophobicContact CG-CD2 3.73Å; K130-Y182 HydrophobicContact CG-CG 3.93Å; K130-L184 HydrophobicContact CB-CD2 4.35Å; K130-L184 HydrophobicContact CG-CD2 4.46Å
131H92.5Very high85Confident39 Ų3956.9 Ų56.918%0.18132%0.315CS..EExtended strand (participates in β ladder)trans-104.1105.3171-177.986.7000109.1W94 N153 Y182 K183 I185W94-H131 HydrophobicContact CZ3-CB 3.95Å; W94-H131 AromaticContact CZ3-CG 3.94Å; H131-N153 WeakPolarHBondContact CB-OD1 3.39Å; H131-N153 PolarHBondContact ND1-OD1 3.28Å; H131-Y182 CarbonylContact O-C 3.52Å; H131-Y182 WeakPolarHBondContact O-CA 3.44Å; H131-Y182 WeakPolarHBondContact O-CB 3.39Å; H131-K183 PolarHBondContact N-O 2.86Å; H131-K183 PolarHBondContact O-N 2.89Å; H131-I185 HydrophobicContact CB-CD1 4.02Å
132S90.9Very high85.2Confident17 Ų1757.9 Ų57.912%0.11933%0.334CS..EExtended strand (participates in β ladder)trans-89.8137.4179.8-78.80000111.4G134 S135S132-G134 PolarHBondContact O-N 2.84Å; S132-S135 WeakPolarHBondContact O-CB 3.09Å; S132-S135 PolarHBondContact O-N 3.02Å
133T85.7Confident85.4Confident57 Ų5764 Ų6435%0.3536%0.362SS..THydrogen-bonded Turntrans-62.3133174.358.80000109.9S135 D181T133-S135 VanDerWaalsContact C-N 3.33Å; T133-D181 HydrophobicContact CG2-CB 3.79Å; T133-D181 PolarHBondContact N-O 3.34Å; T133-D181 PolarHBondContact OG1-N 2.83Å; T133-D181 PolarHBondContact OG1-O 2.95Å; T133-D181 VanDerWaalsContact OG1-O 3.13Å
134G81.2Confident85.3Confident76 Ų7664.1 Ų64.178%0.78437%0.374SS*.THydrogen-bonded Turntrans84.2-0.7-174.100000114.7S132 C136S132-G134 PolarHBondContact O-N 2.84Å; G134-C136 PolarHBondContact O-N 3.12Å; G134-C136 VanDerWaalsContact O-N 3.08Å
135S80.4Confident84.9Confident52 Ų5266 Ų6636%0.36440%0.395SS..  trans-7822.7173-159.20000113.5S132 T133 D152S132-S135 WeakPolarHBondContact O-CB 3.09Å; S132-S135 PolarHBondContact O-N 3.02Å; T133-S135 VanDerWaalsContact C-N 3.33Å; S135-D152 PolarHBondContact O-N 3.13Å; S135-D152 PolarHBondContact OG-O 3.48Å
136C84Confident84.4Confident43 Ų4366.1 Ų66.129%0.29140%0.403SS..EExtended strand (participates in β ladder)trans-109.7123.4-179.2-56.20000109.6G134 L149 T150 C151G134-C136 PolarHBondContact O-N 3.12Å; G134-C136 VanDerWaalsContact O-N 3.08Å; C136-L149 HydrophobicContact CB-CD2 4.11Å; C136-T150 CarbonylContact C-O 3.59Å; C136-T150 VanDerWaalsContact CA-O 3.29Å; C136-T150 WeakPolarHBondContact CA-O 3.05Å; C136-C151 HydrophobicContact CB-CB 4.01Å; C136-C151 WeakPolarHBondContact CB-SG 3.42Å; C136-C151 WeakPolarHBondContact SG-CB 3.42Å; C136-C151 CovalentContact SG-SG 2.04Å; C136-C151 PolarHBondContact SG-SG 2.83Å
137I84.1Confident83.9Confident103 Ų10370.7 Ų70.753%0.52843%0.431SS..EExtended strand (participates in β ladder)trans-98.7142.6173.758170.3000110.4V139 L149 T150I137-V139 HydrophobicContact CD1-CG2 4.13Å; I137-V139 HydrophobicContact CG1-CG2 4.1Å; I137-L149 WeakPolarHBondContact O-CA 3.4Å; I137-T150 PolarHBondContact N-O 3.19Å; I137-T150 PolarHBondContact O-N 3.4Å
138T82.6Confident83.2Confident92 Ų9272 Ų7256%0.56444%0.442SS*.EExtended strand (participates in β ladder)trans-86.3114.1174-53.40000109.4T147 S148T138-T147 HydrophobicContact CG2-CG2 3.72Å; T138-S148 CarbonylContact C-O 3.54Å; T138-S148 WeakPolarHBondContact CA-O 3.49Å
139V84Confident82.5Confident60 Ų6077.5 Ų77.536%0.36447%0.471SS..EExtended strand (participates in β ladder)trans-105.5128.7178.7-1750000109I137 S148I137-V139 HydrophobicContact CD1-CG2 4.13Å; I137-V139 HydrophobicContact CG1-CG2 4.1Å; V139-S148 PolarHBondContact N-O 2.89Å; V139-S148 PolarHBondContact O-N 2.91Å
140Q82.9Confident81.9Confident145 Ų14579.3 Ų79.368%0.67848%0.483SS*.EExtended strand (participates in β ladder)trans-76.3127172.3-79.7-178.7-2000110.8G142 D146 T147Q140-G142 PolarHBondContact O-N 3.36Å; Q140-D146 CarbonylContact C-O 3.46Å; Q140-D146 WeakPolarHBondContact CA-O 3.32Å; Q140-T147 HydrophobicContact CG-CG2 4.03Å
141K77.8Confident81.5Confident154 Ų15481.3 Ų81.367%0.6750%0.497SS*.  trans-93.578.2-175.7-162.2177.7-178-176.50110.6D146K141-D146 HydrophobicContact CB-CB 4.44Å; K141-D146 PolarHBondContact N-O 2.84Å
142G72.3Confident81.2Confident56 Ų5684.3 Ų84.358%0.57752%0.515SS*.G310 helixtrans72.7-167.517600000114.2Q140 S144Q140-G142 PolarHBondContact O-N 3.36Å; G142-S144 PolarHBondContact O-N 3.4Å; G142-S144 VanDerWaalsContact O-N 3.11Å
143L68.2Low81.2Confident194 Ų19486 Ų86100%1.01652%0.522SS*.G310 helixtrans-67.1-9.7-174.6-72.398.1000114.6G145L143-G145 PolarHBondContact O-N 3.35Å
144S74.7Confident81.5Confident95 Ų9589.1 Ų89.166%0.66453%0.531SS*.G310 helixtrans-74.6-6.4-177.7-1570000113.9G142 D146G142-S144 PolarHBondContact O-N 3.4Å; G142-S144 VanDerWaalsContact O-N 3.11Å; S144-D146 PolarHBondContact O-N 3.14Å; S144-D146 VanDerWaalsContact O-N 3.13Å
145G78.3Confident82.1Confident45 Ų4588.1 Ų88.146%0.46452%0.521SS..  trans75.3-9.5-17900000115.1L143L143-G145 PolarHBondContact O-N 3.35Å
146D78.2Confident82.8Confident101 Ų10187.4 Ų87.454%0.5451%0.513SS..  trans-53.6137.4175.5-78.7-21.9000111.6Q140 K141 S144Q140-D146 CarbonylContact C-O 3.46Å; Q140-D146 WeakPolarHBondContact CA-O 3.32Å; K141-D146 HydrophobicContact CB-CB 4.44Å; K141-D146 PolarHBondContact N-O 2.84Å; S144-D146 PolarHBondContact O-N 3.14Å; S144-D146 VanDerWaalsContact O-N 3.13Å
147T83.1Confident83.3Confident97 Ų9787.5 Ų87.560%0.59551%0.509SS*.EExtended strand (participates in β ladder)trans-107.3139177.150.30000111.2T138 Q140T138-T147 HydrophobicContact CG2-CG2 3.72Å; Q140-T147 HydrophobicContact CG-CG2 4.03Å
148S81.4Confident83.7Confident54 Ų5488.4 Ų88.438%0.37851%0.509SS..EExtended strand (participates in β ladder)trans-124.8136.5178-168.50000109.3T138 V139T138-S148 CarbonylContact C-O 3.54Å; T138-S148 WeakPolarHBondContact CA-O 3.49Å; V139-S148 PolarHBondContact N-O 2.89Å; V139-S148 PolarHBondContact O-N 2.91Å
149L81.4Confident84.1Confident117 Ų11784.4 Ų84.461%0.61348%0.484SS*.EExtended strand (participates in β ladder)trans-90.6115.8175-77.7159.8000109.4C136 I137C136-L149 HydrophobicContact CB-CD2 4.11Å; I137-L149 WeakPolarHBondContact O-CA 3.4Å
150T83.1Confident83.8Confident60 Ų6083.7 Ų83.737%0.36849%0.49SS..EExtended strand (participates in β ladder)trans-103.6119.4173.2-55.30000108.5C136 I137C136-T150 CarbonylContact C-O 3.59Å; C136-T150 VanDerWaalsContact CA-O 3.29Å; C136-T150 WeakPolarHBondContact CA-O 3.05Å; I137-T150 PolarHBondContact N-O 3.19Å; I137-T150 PolarHBondContact O-N 3.4Å
151C85.3Confident83Confident50 Ų5082.4 Ų82.434%0.33849%0.487SS..EExtended strand (participates in β ladder)trans-112.6118.9-177.7-51.40000110.7C136C136-C151 HydrophobicContact CB-CB 4.01Å; C136-C151 WeakPolarHBondContact CB-SG 3.42Å; C136-C151 WeakPolarHBondContact SG-CB 3.42Å; C136-C151 CovalentContact SG-SG 2.04Å; C136-C151 PolarHBondContact SG-SG 2.83Å
152D84.8Confident82Confident103 Ų10383.9 Ų83.955%0.55150%0.496SS*.  trans-87.7133.1179.4-71-31000111.7S135S135-D152 PolarHBondContact O-N 3.13Å; S135-D152 PolarHBondContact OG-O 3.48Å
153N91.5Very high81.6Confident52 Ų5282.8 Ų82.828%0.27848%0.477SS..  trans-96.3124.6174.5-67.9-24.8000109.4M129 H131 G155 I185M129-N153 HydrophobicContact CB-CB 4.18Å; M129-N153 HydrophobicContact SD-CB 3.85Å; H131-N153 WeakPolarHBondContact CB-OD1 3.39Å; H131-N153 PolarHBondContact ND1-OD1 3.28Å; N153-G155 PolarHBondContact O-N 2.88Å; N153-I185 WeakPolarHBondContact ND2-CD1 3.36Å
154K92.6Very high81.3Confident122 Ų12276.1 Ų76.153%0.5345%0.447SS..EExtended strand (participates in β ladder)trans-79.4115.3176.8-178.7172.7-179.2174.10110.2M129 K130 L156M129-K154 CarbonylContact C-O 3.57Å; M129-K154 VanDerWaalsContact CA-O 3.31Å; M129-K154 WeakPolarHBondContact CA-O 3.3Å; K130-K154 PolarHBondContact N-O 3.14Å; K130-K154 PolarHBondContact O-N 2.97Å; K154-L156 PolarHBondContact O-N 3.36Å
155G93.5Very high81Confident56 Ų5672.6 Ų72.658%0.57742%0.422SS*.EExtended strand (participates in β ladder)trans-58.8133168.700000111.8N153N153-G155 PolarHBondContact O-N 2.88Å
156L94.2Very high81Confident36 Ų3676.2 Ų76.219%0.18843%0.431CS..EExtended strand (participates in β ladder)trans-115-41177.5-62.9178.5000112L128 K130 K154 V173 L175 L184L128-L156 HydrophobicContact CD2-CB 4.14Å; L128-L156 HydrophobicContact CD2-CD1 4.04Å; L128-L156 HydrophobicContact CG-CB 4.26Å; L128-L156 HydrophobicContact CG-CD1 4.18Å; L128-L156 PolarHBondContact O-N 2.83Å; K130-L156 HydrophobicContact CB-CD1 3.89Å; K130-L156 HydrophobicContact CB-CD2 4.36Å; K130-L156 HydrophobicContact CB-CG 4.14Å; K154-L156 PolarHBondContact O-N 3.36Å; L156-V173 HydrophobicContact CB-CG1 3.91Å; L156-L175 HydrophobicContact CD1-CD2 3.47Å; L156-L175 VanDerWaalsContact CD1-CD2 3.47Å; L156-L184 HydrophobicContact CD1-CD2 3.78Å
157F94.6Very high81.4Confident46 Ų4677.6 Ų77.620%0.20243%0.434CS..EExtended strand (participates in β ladder)trans-145.6154.5176.8163.4-90.1000110.4F111 Y113 N127 L128 I171 V173F111-F157 AromaticContact CZ-CD1 3.86Å; F111-F157 HydrophobicContact CZ-CD1 3.86Å; F111-F157 AromaticContact CZ-CE1 3.97Å; F111-F157 HydrophobicContact CZ-CE1 3.97Å; Y113-F157 HydrophobicContact CE1-CZ 4.29Å; N127-F157 CarbonylContact C-O 3.43Å; N127-F157 WeakPolarHBondContact CA-O 3.25Å; L128-F157 HydrophobicContact CB-CB 4.03Å; L128-F157 HydrophobicContact CB-CD1 4.48Å; L128-F157 PolarHBondContact N-O 3.43Å; L128-F157 PolarHBondContact O-N 3.33Å; L128-F157 VanDerWaalsContact O-N 3.16Å; F157-I171 HydrophobicContact CD2-CG2 3.74Å; F157-I171 HydrophobicContact CE1-CG1 4.48Å; F157-I171 HydrophobicContact CE2-CD1 3.82Å; F157-I171 HydrophobicContact CE2-CG1 4.03Å; F157-I171 HydrophobicContact CE2-CG2 3.75Å; F157-I171 HydrophobicContact CG-CG2 4.17Å; F157-I171 HydrophobicContact CZ-CD1 3.92Å; F157-I171 HydrophobicContact CZ-CG1 3.84Å; F157-I171 HydrophobicContact CZ-CG2 4.19Å; F157-V173 HydrophobicContact CB-CG1 4.44Å; F157-V173 HydrophobicContact CB-CG2 3.85Å; F157-V173 HydrophobicContact CG-CG2 4.38Å
158K93.7Very high81.8Confident122 Ų12275.6 Ų75.653%0.5342%0.416SS..EExtended strand (participates in β ladder)trans-146.7129.7174.1174.3167.3-178.3177.40108.8L126 N127L126-K158 CarbonylContact O-C 3.55Å; L126-K158 WeakPolarHBondContact O-CA 3.36Å; N127-K158 WeakPolarHBondContact OD1-CG 3.38Å
159S89.6Confident82.2Confident7 Ų775.5 Ų75.55%0.04941%0.411CS..  trans-63.4141.5177.866.20000111.7R125 L126R125-S159 WeakPolarHBondContact CA-OG 3.5Å; L126-S159 PolarHBondContact N-OG 2.97Å; L126-S159 PolarHBondContact O-N 2.03Å
160G78Confident82.7Confident46 Ų4675.9 Ų75.947%0.47441%0.407SS..  trans-77.5172.7171.700000112.5Q162G160-Q162 VanDerWaalsContact C-N 3.26Å; G160-Q162 PolarHBondContact O-N 3.22Å
161N66.2Low83.2Confident117 Ų11774.6 Ų74.663%0.62640%0.398SS*.SBendtrans-78.3-6.3177.5-68.53.7000113.7
162Q57.8Low83.6Confident185 Ų18575.3 Ų75.386%0.86440%0.397SS*.  trans-94.196177-73.4-177.9-14.500109.5G160G160-Q162 VanDerWaalsContact C-N 3.26Å; G160-Q162 PolarHBondContact O-N 3.22Å
163L62.6Low84Confident33 Ų3371 Ų7117%0.17337%0.374CS..  trans-124.3111.8177.6-73.9159.3000108.7Y113 V115 I124 L169Y113-L163 HydrophobicContact CE2-CD2 3.58Å; V115-L163 HydrophobicContact CB-CD1 4.44Å; V115-L163 HydrophobicContact CB-CD2 4.41Å; V115-L163 HydrophobicContact CG2-CD1 4.01Å; V115-L163 HydrophobicContact CG2-CD2 3.89Å; V115-L163 HydrophobicContact CG2-CG 4.47Å; I124-L163 HydrophobicContact CG2-CD1 4.38Å; L163-L169 HydrophobicContact CD2-CD1 3.7Å
164S63Low84.1Confident54 Ų5472.7 Ų72.738%0.37838%0.383SS..  trans-68.3140.316035.90000108.6D166S164-D166 VanDerWaalsContact C-N 3.29Å
165S68.9Low84.1Confident21 Ų2167.2 Ų67.215%0.14736%0.36CS..SBendtrans-68.2-32.2-179.4167.40000112.2I114 V115I114-S165 WeakPolarHBondContact CG1-O 3.34Å; V115-S165 WeakPolarHBondContact O-CA 3.44Å
166D77.1Confident83.7Confident121 Ų12167 Ų6765%0.64735%0.349SS*.SBendtrans-114.34.4-153.4-45-40.2000113.6S164S164-D166 VanDerWaalsContact C-N 3.29Å
167E87Confident83.1Confident131 Ų13170 Ų7061%0.61237%0.37SS*.SBendtrans-126.6138.3-176.9-67.8-173153.500112.9L169E167-L169 PolarHBondContact O-N 3.25Å
168W91Very high82.5Confident55 Ų5569.5 Ų69.521%0.20837%0.371CS..  trans-76111.7174.5-75.892000111.5L60 F63 T65 A67 K112 I114 K170 C200 D202L60-W168 HydrophobicContact CD1-CH2 4.2Å; L60-W168 HydrophobicContact CD1-CZ2 3.77Å; F63-W168 AromaticContact CD1-CD1 3.67Å; F63-W168 AromaticContact CD1-NE1 3.26Å; F63-W168 VanDerWaalsContact CD1-NE1 3.26Å; F63-W168 HydrophobicContact CD2-CZ2 4.44Å; F63-W168 AromaticContact CD2-NE1 3.61Å; F63-W168 AromaticContact CE1-CD1 3.72Å; F63-W168 AromaticContact CE1-NE1 3.56Å; F63-W168 AromaticContact CE2-NE1 3.9Å; F63-W168 AromaticContact CG-NE1 3.28Å; F63-W168 VanDerWaalsContact CG-NE1 3.28Å; F63-W168 AromaticContact CZ-NE1 3.88Å; T65-W168 HydrophobicContact CG2-CZ2 4.48Å; A67-W168 HydrophobicContact CB-CH2 3.81Å; A67-W168 HydrophobicContact CB-CZ2 4.47Å; K112-W168 HydrophobicContact CB-CD2 4.49Å; K112-W168 HydrophobicContact CB-CE3 3.67Å; K112-W168 HydrophobicContact CB-CZ3 4.24Å; I114-W168 HydrophobicContact CB-CD2 3.86Å; I114-W168 HydrophobicContact CB-CE3 3.91Å; I114-W168 HydrophobicContact CB-CG 4.31Å; I114-W168 HydrophobicContact CB-CZ2 4.5Å; I114-W168 HydrophobicContact CB-CZ3 4.28Å; I114-W168 HydrophobicContact CD1-CG 4.5Å; I114-W168 HydrophobicContact CG2-CD2 3.87Å; I114-W168 HydrophobicContact CG2-CE3 3.87Å; I114-W168 HydrophobicContact CG2-CH2 3.65Å; I114-W168 HydrophobicContact CG2-CZ2 3.59Å; I114-W168 HydrophobicContact CG2-CZ3 3.77Å; W168-K170 PolarHBondContact O-N 2.82Å; W168-C200 HydrophobicContact CH2-CB 4.11Å; W168-D202 HydrophobicContact CE3-CB 4.48Å; W168-D202 HydrophobicContact CH2-CB 3.6Å; W168-D202 HydrophobicContact CZ2-CB 4.49Å; W168-D202 HydrophobicContact CZ3-CB 3.61Å
169L91.1Very high82Confident51 Ų5170.2 Ų70.227%0.26738%0.38SS..EExtended strand (participates in β ladder)trans-81.6113.7174.2-63.1177.7000110.1K112 Y113 L163 E167K112-L169 WeakPolarHBondContact CA-O 3.31Å; Y113-L169 HydrophobicContact CD1-CB 3.97Å; Y113-L169 WeakPolarHBondContact CD1-O 3.5Å; Y113-L169 HydrophobicContact CE1-CB 3.58Å; Y113-L169 HydrophobicContact CE1-CD1 4.11Å; Y113-L169 HydrophobicContact CE1-CG 4.5Å; Y113-L169 HydrophobicContact CE2-CD1 4.5Å; Y113-L169 PolarHBondContact N-O 2.95Å; Y113-L169 PolarHBondContact O-N 2.86Å; L163-L169 HydrophobicContact CD2-CD1 3.7Å; E167-L169 PolarHBondContact O-N 3.25Å
170K91.8Very high81.9Confident126 Ų12672.8 Ų72.855%0.54840%0.396SS..EExtended strand (participates in β ladder)trans-82.8124.3172.7-172.8-176.1178.5-171.40110.1K112 W168 M172K112-K170 HydrophobicContact CG-CB 4.45Å; K112-K170 HydrophobicContact CG-CG 4.49Å; W168-K170 PolarHBondContact O-N 2.82Å; K170-M172 VanDerWaalsContact CE-SD 3.56Å
171I92.9Very high82.5Confident32 Ų3272.3 Ų72.316%0.16438%0.382CS..EExtended strand (participates in β ladder)trans-114.6139.1177.1-57.6-59.6000109.3G110 F111 Y113 F157 V173G110-I171 WeakPolarHBondContact CA-O 3.46Å; F111-I171 HydrophobicContact CD1-CB 4.42Å; F111-I171 HydrophobicContact CE1-CB 3.96Å; F111-I171 HydrophobicContact CE1-CG2 3.84Å; F111-I171 HydrophobicContact CE2-CB 4.13Å; F111-I171 HydrophobicContact CE2-CG1 4.25Å; F111-I171 HydrophobicContact CZ-CB 3.81Å; F111-I171 HydrophobicContact CZ-CG1 4.2Å; F111-I171 HydrophobicContact CZ-CG2 3.85Å; F111-I171 PolarHBondContact N-O 3.29Å; F111-I171 PolarHBondContact O-N 2.6Å; Y113-I171 HydrophobicContact CD1-CG1 3.87Å; Y113-I171 HydrophobicContact CE1-CD1 3.94Å; Y113-I171 HydrophobicContact CE1-CG1 3.52Å; F157-I171 HydrophobicContact CD2-CG2 3.74Å; F157-I171 HydrophobicContact CE1-CG1 4.48Å; F157-I171 HydrophobicContact CE2-CD1 3.82Å; F157-I171 HydrophobicContact CE2-CG1 4.03Å; F157-I171 HydrophobicContact CE2-CG2 3.75Å; F157-I171 HydrophobicContact CG-CG2 4.17Å; F157-I171 HydrophobicContact CZ-CD1 3.92Å; F157-I171 HydrophobicContact CZ-CG1 3.84Å; F157-I171 HydrophobicContact CZ-CG2 4.19Å; I171-V173 HydrophobicContact CG2-CG2 3.66Å
172M93.4Very high83.7Confident66 Ų6667.3 Ų67.333%0.32536%0.355SS..EExtended strand (participates in β ladder)trans-118.7132.4168.7-53.8-62.4-58.300107.9C108 L109 K170 Y207 C211 L214C108-M172 WeakPolarHBondContact SG-CE 3.02Å; L109-M172 CarbonylContact O-C 3.58Å; L109-M172 WeakPolarHBondContact O-CA 3.37Å; K170-M172 VanDerWaalsContact CE-SD 3.56Å; M172-Y207 HydrophobicContact CE-CD2 4.02Å; M172-Y207 HydrophobicContact CE-CE2 3.61Å; M172-C211 HydrophobicContact CB-CB 4.28Å; M172-L214 HydrophobicContact CE-CD1 3.65Å
173V94.4Very high85.4Confident11 Ų1162.1 Ų62.17%0.06733%0.329CS..EExtended strand (participates in β ladder)trans-129.5118.7-177-170.60000110L109 F111 L128 L156 F157 I171 L175 C211L109-V173 PolarHBondContact N-O 2.87Å; L109-V173 PolarHBondContact O-N 2.87Å; F111-V173 HydrophobicContact CE1-CG2 3.98Å; L128-V173 HydrophobicContact CD2-CB 4.16Å; L128-V173 HydrophobicContact CD2-CG1 4.14Å; L128-V173 HydrophobicContact CD2-CG2 3.98Å; L156-V173 HydrophobicContact CB-CG1 3.91Å; F157-V173 HydrophobicContact CB-CG1 4.44Å; F157-V173 HydrophobicContact CB-CG2 3.85Å; F157-V173 HydrophobicContact CG-CG2 4.38Å; I171-V173 HydrophobicContact CG2-CG2 3.66Å; V173-L175 PolarHBondContact O-N 3.48Å; V173-C211 PolarHBondContact O-SG 3.34Å
174D93.1Very high87Confident89 Ų8960.6 Ų60.648%0.47632%0.321SS..EExtended strand (participates in β ladder)trans-66.3130.3173.2-75.6-60.2000109.9P176 C211D174-P176 WeakPolarHBondContact O-CD 3.27Å; D174-C211 PolarHBondContact N-SG 3.15Å; D174-C211 VanDerWaalsContact OD1-CB 3.27Å; D174-C211 WeakPolarHBondContact OD1-CB 3.31Å; D174-C211 PolarHBondContact OD1-N 3Å; D174-C211 PolarHBondContact OD1-SG 2.8Å; D174-C211 VanDerWaalsContact OD1-SG 3.36Å
175L91.6Very high88.5Confident6 Ų658 Ų583%0.03130%0.303CS..  trans-99.8109.2176-64.4-173.1000109.2I106 Q107 L109 L156 V173 L184I106-L175 HydrophobicContact CB-CD1 4.24Å; I106-L175 HydrophobicContact CG2-CD1 3.74Å; Q107-L175 PolarHBondContact O-N 3.1Å; L109-L175 HydrophobicContact CB-CD1 4.29Å; L109-L175 HydrophobicContact CB-CG 4.34Å; L156-L175 HydrophobicContact CD1-CD2 3.47Å; L156-L175 VanDerWaalsContact CD1-CD2 3.47Å; V173-L175 PolarHBondContact O-N 3.48Å; L175-L184 HydrophobicContact CD1-CD1 4.37Å; L175-L184 HydrophobicContact CD2-CD2 4.1Å
176P85.9Confident89.9Confident53 Ų5357.1 Ų57.134%0.34430%0.297SS..  trans-61129.1179.1-23.934000110.5K130 D174 T178K130-P176 PolarHBondContact NZ-O 3.16Å; K130-P176 VanDerWaalsContact NZ-O 3.11Å; D174-P176 WeakPolarHBondContact O-CD 3.27Å; P176-T178 PolarHBondContact O-N 2.82Å
177P82.3Confident90.7Very high99 Ų9952.4 Ų52.464%0.64327%0.271SS*.  trans-61.9128.6-174.324.3-34.3000110.6
178T81.9Confident91.1Very high34 Ų3446.1 Ų46.121%0.20924%0.242CC..  trans-115.9159175.340.90000112.4K105 K130 P176 T180K105-T178 PolarHBondContact NZ-O 3.32Å; K130-T178 PolarHBondContact NZ-OG1 3.47Å; P176-T178 PolarHBondContact O-N 2.82Å; T178-T180 PolarHBondContact OG1-O 3Å
179N83.2Confident91.1Very high138 Ų13844.1 Ų44.174%0.73824%0.236SC*.SBendtrans-105.27.1169.8-65-18.1000111.9S100 K105S100-N179 PolarHBondContact OG-O 3.33Å; K105-N179 PolarHBondContact NZ-OD1 2.84Å
180T87.7Confident91Very high60 Ų6041.7 Ų41.737%0.36822%0.223SC..SBendtrans-113.9146.9171.453.60000109.6T178T178-T180 PolarHBondContact OG1-O 3Å
181D89.9Confident90.7Very high36 Ų3636.4 Ų36.419%0.19320%0.201CC..  trans-59155.5169.2-76.615.2000110.4Q97 V98 R99 S100 T133Q97-D181 HydrophobicContact CG-CB 4.27Å; Q97-D181 PolarHBondContact NE2-OD2 2.94Å; V98-D181 VanDerWaalsContact O-CA 3.31Å; V98-D181 WeakPolarHBondContact O-CA 3.1Å; R99-D181 VanDerWaalsContact CA-OD1 3.26Å; R99-D181 WeakPolarHBondContact CA-OD1 3.32Å; S100-D181 PolarHBondContact N-OD1 2.87Å; S100-D181 PolarHBondContact OG-OD1 2.99Å; T133-D181 HydrophobicContact CG2-CB 3.79Å; T133-D181 PolarHBondContact N-O 3.34Å; T133-D181 PolarHBondContact OG1-N 2.83Å; T133-D181 PolarHBondContact OG1-O 2.95Å; T133-D181 VanDerWaalsContact OG1-O 3.13Å
182Y92Very high90.2Very high13 Ų1337.1 Ų37.15%0.05121%0.212CC..EExtended strand (participates in β ladder)trans-152.9164.4177.162.4-88.3000112.9V98 K130 H131 L184V98-Y182 HydrophobicContact CB-CD1 4.22Å; V98-Y182 HydrophobicContact CB-CD2 4.12Å; V98-Y182 HydrophobicContact CB-CE1 3.95Å; V98-Y182 HydrophobicContact CB-CE2 3.84Å; V98-Y182 HydrophobicContact CB-CG 4.31Å; V98-Y182 HydrophobicContact CG1-CD1 4.49Å; V98-Y182 HydrophobicContact CG1-CE1 3.79Å; V98-Y182 HydrophobicContact CG1-CE2 4.22Å; V98-Y182 HydrophobicContact CG2-CD2 4.15Å; V98-Y182 HydrophobicContact CG2-CE2 3.71Å; V98-Y182 PolarHBondContact N-O 2.86Å; V98-Y182 PolarHBondContact O-N 3.37Å; K130-Y182 HydrophobicContact CD-CD1 4.21Å; K130-Y182 HydrophobicContact CD-CD2 3.6Å; K130-Y182 HydrophobicContact CD-CE2 4.03Å; K130-Y182 HydrophobicContact CD-CG 3.7Å; K130-Y182 HydrophobicContact CG-CD2 3.73Å; K130-Y182 HydrophobicContact CG-CG 3.93Å; H131-Y182 CarbonylContact O-C 3.52Å; H131-Y182 WeakPolarHBondContact O-CA 3.44Å; H131-Y182 WeakPolarHBondContact O-CB 3.39Å; Y182-L184 HydrophobicContact CD2-CD2 4.25Å; Y182-L184 HydrophobicContact CD2-CG 4.29Å; Y182-L184 HydrophobicContact CE2-CD2 4.08Å; Y182-L184 HydrophobicContact CE2-CG 4.1Å
183K93.6Very high89.5Confident76 Ų7635.9 Ų35.933%0.3322%0.216SC..EExtended strand (participates in β ladder)trans-117.8152.4163.1-67.9-175.7177-172.60109.5W94 Q97 H131W94-K183 HydrophobicContact CE3-CB 4.17Å; W94-K183 HydrophobicContact CE3-CD 4.05Å; Q97-K183 HydrophobicContact CB-CG 4.36Å; H131-K183 PolarHBondContact N-O 2.86Å; H131-K183 PolarHBondContact O-N 2.89Å
184L95Very high88.9Confident0 Ų038.2 Ų38.20%022%0.224CC..EExtended strand (participates in β ladder)trans-98146.6168.9-62.8167.8000108.5V32 W44 S95 L109 L128 M129 K130 L156 L175 Y182V32-L184 HydrophobicContact CG1-CD1 3.69Å; V32-L184 HydrophobicContact CG2-CD1 4.27Å; W44-L184 HydrophobicContact CH2-CB 4Å; S95-L184 PolarHBondContact N-O 3.36Å; S95-L184 PolarHBondContact OG-N 2.82Å; L109-L184 HydrophobicContact CD1-CD1 4.26Å; L109-L184 HydrophobicContact CD2-CD1 4.01Å; L128-L184 HydrophobicContact CD1-CB 4.4Å; M129-L184 CarbonylContact O-C 3.58Å; M129-L184 WeakPolarHBondContact O-CA 3.34Å; K130-L184 HydrophobicContact CB-CD2 4.35Å; K130-L184 HydrophobicContact CG-CD2 4.46Å; L156-L184 HydrophobicContact CD1-CD2 3.78Å; L175-L184 HydrophobicContact CD1-CD1 4.37Å; L175-L184 HydrophobicContact CD2-CD2 4.1Å; Y182-L184 HydrophobicContact CD2-CD2 4.25Å; Y182-L184 HydrophobicContact CD2-CG 4.29Å; Y182-L184 HydrophobicContact CE2-CD2 4.08Å; Y182-L184 HydrophobicContact CE2-CG 4.1Å
185I95.8Very high88.2Confident0 Ų036.5 Ų36.50%022%0.218CC..EExtended strand (participates in β ladder)trans-128.1122.7178.7-48.2169.6000107.5R92 L93 W94 L128 M129 H131 N153R92-I185 HydrophobicContact CB-CG2 3.87Å; R92-I185 HydrophobicContact CG-CG2 3.99Å; L93-I185 WeakPolarHBondContact O-CA 3.39Å; W94-I185 HydrophobicContact CD2-CD1 4.31Å; W94-I185 HydrophobicContact CD2-CG1 3.92Å; W94-I185 HydrophobicContact CE3-CD1 3.97Å; W94-I185 HydrophobicContact CE3-CG1 3.64Å; W94-I185 HydrophobicContact CH2-CD1 3.41Å; W94-I185 VanDerWaalsContact CH2-CD1 3.41Å; W94-I185 HydrophobicContact CH2-CG1 4.06Å; W94-I185 HydrophobicContact CZ2-CD1 3.76Å; W94-I185 HydrophobicContact CZ2-CG1 4.3Å; W94-I185 HydrophobicContact CZ3-CD1 3.53Å; W94-I185 HydrophobicContact CZ3-CG1 3.72Å; L128-I185 CarbonylContact C-O 3.56Å; L128-I185 WeakPolarHBondContact CA-O 3.13Å; M129-I185 HydrophobicContact CB-CB 4.32Å; M129-I185 HydrophobicContact CE-CB 4.43Å; M129-I185 HydrophobicContact CE-CG2 4.21Å; M129-I185 PolarHBondContact N-O 3.15Å; M129-I185 PolarHBondContact O-N 2.9Å; H131-I185 HydrophobicContact CB-CD1 4.02Å; N153-I185 WeakPolarHBondContact ND2-CD1 3.36Å
186L96.6Very high87.7Confident2 Ų241 Ų411%0.0124%0.242CC..EExtended strand (participates in β ladder)trans-94.7115.8163.7-73.7164.8000107.7W44 R92 L93 L126 N127 L128 V201 I204W44-L186 HydrophobicContact CH2-CD1 4.03Å; W44-L186 HydrophobicContact CH2-CG 4.28Å; W44-L186 HydrophobicContact CZ3-CD1 3.97Å; W44-L186 HydrophobicContact CZ3-CG 4.13Å; R92-L186 CarbonylContact C-O 3.52Å; R92-L186 WeakPolarHBondContact CA-O 3.4Å; L93-L186 HydrophobicContact CB-CB 4.31Å; L93-L186 PolarHBondContact N-O 2.77Å; L93-L186 PolarHBondContact O-N 2.79Å; L126-L186 HydrophobicContact CD1-CD2 4.28Å; N127-L186 WeakPolarHBondContact O-CA 3.35Å; L128-L186 HydrophobicContact CB-CD2 4.35Å; L128-L186 HydrophobicContact CD1-CD2 3.72Å; L128-L186 HydrophobicContact CD1-CG 4.04Å; L186-V201 HydrophobicContact CD1-CG1 3.99Å; L186-I204 HydrophobicContact CD1-CD1 3.73Å
187E95.6Very high87.8Confident22 Ų2238.7 Ų38.710%0.10323%0.227CC..EExtended strand (participates in β ladder)trans-112.3115.7177.4178.8-176.2-10500108.3A91 R92 L126 N127 M129A91-E187 WeakPolarHBondContact O-CA 3.32Å; R92-E187 HydrophobicContact CG-CB 4.07Å; R92-E187 HydrophobicContact CG-CG 4Å; R92-E187 IonicContact CZ-OE1 2.72Å; R92-E187 IonicContact NE-OE1 3.18Å; R92-E187 PolarHBondContact NE-OE1 3.26Å; R92-E187 IonicContact NH2-OE1 2.79Å; R92-E187 PolarHBondContact NH2-OE1 3.07Å; L126-E187 WeakPolarHBondContact CA-O 3.39Å; N127-E187 HydrophobicContact CB-CB 4.32Å; N127-E187 PolarHBondContact N-O 2.83Å; N127-E187 PolarHBondContact ND2-OE2 2.8Å; N127-E187 PolarHBondContact O-N 3.04Å; M129-E187 HydrophobicContact CE-CB 3.54Å; M129-E187 HydrophobicContact CE-CG 4.18Å; M129-E187 WeakPolarHBondContact CE-OE2 3.36Å
188G93.8Very high88.1Confident0 Ų038.2 Ų38.20%021%0.212CC..EExtended strand (participates in β ladder)trans-107.2140.6176.300000110.4L70 S90 A91 R125L70-G188 VanDerWaalsContact CD2-C 3.41Å; L70-G188 WeakPolarHBondContact CD2-O 3.44Å; S90-G188 VanDerWaalsContact CA-O 3.26Å; S90-G188 WeakPolarHBondContact CA-O 3.39Å; S90-G188 PolarHBondContact OG-O 2.89Å; A91-G188 PolarHBondContact N-O 3.48Å; A91-G188 PolarHBondContact O-N 2.97Å; A91-G188 VanDerWaalsContact O-N 3.07Å; R125-G188 CarbonylContact O-C 3.46Å; R125-G188 WeakPolarHBondContact O-CA 3.43Å
189T91.7Very high88.6Confident13 Ų1336.6 Ų36.68%0.0820%0.203CC..EExtended strand (participates in β ladder)trans-131.6124.1-178.6-46.60000110.7E88 G89 S90 R125E88-T189 HydrophobicContact CG-CG2 3.65Å; E88-T189 VanDerWaalsContact OE1-CG2 3.25Å; E88-T189 WeakPolarHBondContact OE1-CG2 3.47Å; G89-T189 CarbonylContact O-C 3.59Å; G89-T189 WeakPolarHBondContact O-CA 3.45Å; S90-T189 PolarHBondContact OG-OG1 3Å; R125-T189 PolarHBondContact N-O 2.04Å; R125-T189 PolarHBondContact O-N 2.8Å
190I88.8Confident89.1Confident0 Ų030 Ų300%017%0.167CC..EExtended strand (participates in β ladder)trans-108122.8176.3-65.8159.5000108.5L70 G89 I124 A197 I199L70-I190 HydrophobicContact CB-CD1 4.34Å; L70-I190 HydrophobicContact CD2-CD1 3.6Å; L70-I190 HydrophobicContact CD2-CG1 3.78Å; L70-I190 HydrophobicContact CG-CD1 3.74Å; L70-I190 HydrophobicContact CG-CG1 4.47Å; G89-I190 PolarHBondContact N-O 3.08Å; G89-I190 PolarHBondContact O-N 2.87Å; I124-I190 HydrophobicContact CD1-CG1 4.1Å; I190-A197 WeakPolarHBondContact CD1-O 3.23Å; I190-A197 HydrophobicContact CG2-CB 4.45Å; I190-I199 HydrophobicContact CG1-CG1 4.45Å
191P85.7Confident89.5Confident14 Ų1427.1 Ų27.19%0.09115%0.15CC..  trans-70.1152.6-178.430-35000111.7L121 H123 I124 G193 Y194L121-P191 HydrophobicContact CD2-CG 4.29Å; H123-P191 WeakPolarHBondContact O-CD 3.49Å; H123-P191 WeakPolarHBondContact O-CG 3.33Å; I124-P191 HydrophobicContact CG1-CG 4.39Å; P191-G193 PolarHBondContact O-N 3.25Å; P191-Y194 HydrophobicContact CG-CD2 4Å
192A82.3Confident89.7Confident48 Ų4825.9 Ų25.940%0.39714%0.143SC..THydrogen-bonded Turntrans-50.5139.6171.500000112.1I86 Y194I86-A192 WeakPolarHBondContact O-CB 3.42Å; A192-Y194 WeakPolarHBondContact O-CD2 3.26Å
193G78.6Confident89.9Confident40 Ų4028 Ų2841%0.41216%0.156SC..THydrogen-bonded Turntrans98.3-6178.100000115.9P191 P195P191-G193 PolarHBondContact O-N 3.25Å; G193-P195 VanDerWaalsContact C-CD 3.49Å; G193-P195 WeakPolarHBondContact O-CD 3.25Å
194Y81.4Confident89.9Confident60 Ų6024.6 Ų24.624%0.23514%0.141CC..  trans-12564.4-172.1-61.5-91.7000113.4K119 R120 L121 P122 P191 A192 D196 A197K119-Y194 HydrophobicContact CB-CE1 4.27Å; R120-Y194 PolarHBondContact O-OH 2.82Å; L121-Y194 HydrophobicContact CD2-CD1 3.33Å; L121-Y194 HydrophobicContact CD2-CD2 3.92Å; L121-Y194 HydrophobicContact CD2-CE1 3.92Å; L121-Y194 HydrophobicContact CD2-CE2 4.47Å; L121-Y194 HydrophobicContact CD2-CG 3.32Å; L121-Y194 HydrophobicContact CG-CD1 4.19Å; L121-Y194 HydrophobicContact CG-CE1 4.5Å; P122-Y194 VanDerWaalsContact CD-CZ 3.43Å; P122-Y194 VanDerWaalsContact CD-OH 3.3Å; P122-Y194 WeakPolarHBondContact CD-OH 3.3Å; P122-Y194 HydrophobicContact CG-CE2 4.01Å; P191-Y194 HydrophobicContact CG-CD2 4Å; A192-Y194 WeakPolarHBondContact O-CD2 3.26Å; Y194-D196 PolarHBondContact O-N 3.44Å; Y194-A197 PolarHBondContact O-N 3.15Å
195P78.3Confident89.9Confident53 Ų5326.1 Ų26.134%0.34415%0.15SC..THydrogen-bonded Turntrans-66.7-23.1-175.929.9-37.1000114.2L72 G193L72-P195 HydrophobicContact CD2-CB 4.39Å; G193-P195 VanDerWaalsContact C-CD 3.49Å; G193-P195 WeakPolarHBondContact O-CD 3.25Å
196D81.9Confident89.7Confident101 Ų10127.2 Ų27.254%0.5416%0.158SC..THydrogen-bonded Turntrans-83-15.5179.9-52.6-33.3000112.6Y194Y194-D196 PolarHBondContact O-N 3.44Å
197A87.2Confident89.4Confident3 Ų330.2 Ų30.23%0.02517%0.169CC..  trans-77.1140.3-174.100000111.4L116 F117 L121 I124 I190 Y194L116-A197 WeakPolarHBondContact O-CA 3.39Å; F117-A197 HydrophobicContact CB-CB 4.3Å; L121-A197 HydrophobicContact CD1-CB 4.11Å; L121-A197 HydrophobicContact CD2-CB 3.94Å; I124-A197 HydrophobicContact CD1-CB 3.84Å; I190-A197 WeakPolarHBondContact CD1-O 3.23Å; I190-A197 HydrophobicContact CG2-CB 4.45Å; Y194-A197 PolarHBondContact O-N 3.15Å
198R88.9Confident89.1Confident89 Ų8933 Ų3334%0.33619%0.188SC..EExtended strand (participates in β ladder)trans-135.8146-178.1-56-173.5-168.6-159.95.4111H71 V115 L116H71-R198 PolarHBondContact CE1-NH1 2.9Å; H71-R198 PolarHBondContact NE2-NH1 2.99Å; V115-R198 CarbonylContact C-O 3.59Å; V115-R198 VanDerWaalsContact CA-O 3.32Å; V115-R198 WeakPolarHBondContact CA-O 3.47Å; L116-R198 PolarHBondContact N-O 2.9Å; L116-R198 PolarHBondContact O-N 2.87Å
199I92.3Very high88.7Confident0 Ų038.2 Ų38.20%021%0.212CC..EExtended strand (participates in β ladder)trans-108.2117.2168.5-48176.3000106.1W55 C69 L70 V115 I124 R125 L126 I190W55-I199 HydrophobicContact CH2-CG2 4.48Å; C69-I199 CarbonylContact C-O 3.6Å; C69-I199 VanDerWaalsContact CA-O 3.3Å; C69-I199 WeakPolarHBondContact CA-O 3.1Å; L70-I199 HydrophobicContact CB-CB 4.17Å; L70-I199 HydrophobicContact CD2-CD1 3.82Å; L70-I199 HydrophobicContact CD2-CG1 4.23Å; L70-I199 PolarHBondContact N-O 3.25Å; V115-I199 HydrophobicContact CG2-CG2 4.28Å; I124-I199 HydrophobicContact CD1-CG1 4.35Å; I124-I199 HydrophobicContact CG2-CD1 3.56Å; I124-I199 HydrophobicContact CG2-CG1 3.62Å; R125-I199 WeakPolarHBondContact O-CD1 3.37Å; L126-I199 HydrophobicContact CB-CG2 4.29Å; L126-I199 HydrophobicContact CD1-CG2 4.3Å; L126-I199 HydrophobicContact CD2-CG2 4.22Å; I190-I199 HydrophobicContact CG1-CG1 4.45Å
200C94.4Very high88.6Confident0 Ų039.7 Ų39.70%022%0.222CC..EExtended strand (participates in β ladder)trans-110.4135.8177.2-63.60000109.9L60 A67 A68 C69 Y113 I114 W168L60-C200 HydrophobicContact CD1-CB 4.21Å; A67-C200 HydrophobicContact CB-CB 4.11Å; A68-C200 CarbonylContact O-C 3.51Å; A68-C200 WeakPolarHBondContact O-CA 3.43Å; C69-C200 HydrophobicContact CB-CB 4.16Å; C69-C200 WeakPolarHBondContact CB-SG 3.49Å; C69-C200 WeakPolarHBondContact SG-CB 3.18Å; C69-C200 CovalentContact SG-SG 2.04Å; C69-C200 PolarHBondContact SG-SG 2.85Å; Y113-C200 CarbonylContact C-O 3.3Å; Y113-C200 WeakPolarHBondContact CA-O 3.47Å; Y113-C200 WeakPolarHBondContact CB-O 3.36Å; I114-C200 HydrophobicContact CG2-CB 3.77Å; I114-C200 PolarHBondContact N-O 2.78Å; I114-C200 PolarHBondContact O-N 3.45Å; W168-C200 HydrophobicContact CH2-CB 4.11Å
201V95.7Very high88.7Confident0 Ų040.2 Ų40.20%023%0.226CC..EExtended strand (participates in β ladder)trans-122.7136.1178.8-178.90000109F36 W55 A68 F111 K112 L126 L186 I204F36-V201 WeakPolarHBondContact CE2-O 3.4Å; W55-V201 HydrophobicContact CH2-CG2 3.89Å; W55-V201 HydrophobicContact CZ3-CB 4.46Å; W55-V201 HydrophobicContact CZ3-CG2 3.96Å; A68-V201 PolarHBondContact N-O 2.74Å; A68-V201 PolarHBondContact O-N 2.88Å; F111-V201 HydrophobicContact CB-CG1 4.45Å; F111-V201 HydrophobicContact CD2-CG1 4.1Å; K112-V201 WeakPolarHBondContact O-CA 3.16Å; L126-V201 HydrophobicContact CD1-CG2 4.31Å; L126-V201 HydrophobicContact CD2-CG2 3.83Å; L186-V201 HydrophobicContact CD1-CG1 3.99Å; V201-I204 HydrophobicContact CG1-CD1 4.13Å; V201-I204 HydrophobicContact CG1-CG1 4.06Å
202D95.2Very high88.9Confident10 Ų1042.5 Ų42.55%0.05324%0.242CC..EExtended strand (participates in β ladder)trans-144.1161.5-177.2174.545.8000111.7A67 K112 W168 I204A67-D202 HydrophobicContact CB-CB 4.2Å; K112-D202 PolarHBondContact N-O 2.93Å; K112-D202 PolarHBondContact O-N 2.88Å; W168-D202 HydrophobicContact CE3-CB 4.48Å; W168-D202 HydrophobicContact CH2-CB 3.6Å; W168-D202 HydrophobicContact CZ2-CB 4.49Å; W168-D202 HydrophobicContact CZ3-CB 3.61Å; D202-I204 VanDerWaalsContact C-N 3.31Å; D202-I204 PolarHBondContact O-N 3.24Å
203N94.2Very high89Confident58 Ų5841.9 Ų41.931%0.3124%0.237SC..EExtended strand (participates in β ladder)trans52.248.7169.5-169.982.6000111.9K112 T205K112-N203 HydrophobicContact CD-CB 4.34Å; N203-T205 PolarHBondContact ND2-OG1 2.89Å; N203-T205 PolarHBondContact O-N 2.81Å; N203-T205 PolarHBondContact O-OG1 2.82Å
204I95.4Very high89.2Confident4 Ų441.8 Ų41.82%0.02123%0.227CC..EExtended strand (participates in β ladder)trans-66119.3170.9-53.7176.9000106.7V32 S33 C34 F36 W44 L109 G110 F111 L186 V201 D202V32-I204 HydrophobicContact CG1-CG2 4.24Å; S33-I204 CarbonylContact C-O 3.52Å; S33-I204 WeakPolarHBondContact CA-O 3.39Å; C34-I204 PolarHBondContact N-O 2.87Å; C34-I204 PolarHBondContact O-N 2.8Å; F36-I204 HydrophobicContact CE2-CD1 4.12Å; F36-I204 HydrophobicContact CE2-CG1 4.34Å; F36-I204 HydrophobicContact CZ-CD1 3.87Å; W44-I204 HydrophobicContact CD2-CD1 4.47Å; W44-I204 HydrophobicContact CH2-CD1 4.35Å; W44-I204 HydrophobicContact CZ2-CD1 3.79Å; W44-I204 HydrophobicContact CZ2-CG2 3.95Å; L109-I204 HydrophobicContact CD1-CG2 3.87Å; L109-I204 HydrophobicContact CG-CG2 4.49Å; G110-I204 CarbonylContact O-C 3.47Å; G110-I204 WeakPolarHBondContact O-CA 3.2Å; F111-I204 HydrophobicContact CB-CB 4.48Å; F111-I204 HydrophobicContact CB-CG1 4.03Å; L186-I204 HydrophobicContact CD1-CD1 3.73Å; V201-I204 HydrophobicContact CG1-CD1 4.13Å; V201-I204 HydrophobicContact CG1-CG1 4.06Å; D202-I204 VanDerWaalsContact C-N 3.31Å; D202-I204 PolarHBondContact O-N 3.24Å
205T93.7Very high88.8Confident32 Ų3245.6 Ų45.620%0.19625%0.247CC..EExtended strand (participates in β ladder)trans-131.2123.9-173.6-40.90000109.3G110 N203 Y207G110-T205 PolarHBondContact N-O 2.87Å; G110-T205 PolarHBondContact O-N 2.89Å; N203-T205 PolarHBondContact ND2-OG1 2.89Å; N203-T205 PolarHBondContact O-N 2.81Å; N203-T205 PolarHBondContact O-OG1 2.82Å; T205-Y207 HydrophobicContact CG2-CE1 3.98Å; T205-Y207 HydrophobicContact CG2-CE2 3.94Å; T205-Y207 WeakPolarHBondContact O-CE2 3.47Å
206S91.9Very high87.9Confident23 Ų2351.2 Ų51.216%0.16127%0.266CS..EExtended strand (participates in β ladder)trans-92.4140.2176.495.50000111D30 S33D30-S206 PolarHBondContact OD1-OG 2.92Å; D30-S206 PolarHBondContact OD2-OG 2.78Å; S33-S206 PolarHBondContact OG-N 2.83Å
207Y90.1Very high86.8Confident65 Ų6550.7 Ų50.726%0.25528%0.275SS..EExtended strand (participates in β ladder)trans-130.3138.4178.6-55.5-87.5000110.8I106 Q107 C108 M172 T205 E209 L214I106-Y207 CarbonylContact C-O 3.57Å; I106-Y207 WeakPolarHBondContact CA-O 3.48Å; I106-Y207 WeakPolarHBondContact CG2-O 3.42Å; Q107-Y207 PolarHBondContact N-O 3.49Å; C108-Y207 HydrophobicContact CB-CD2 4.44Å; C108-Y207 PolarHBondContact N-O 3.2Å; C108-Y207 VanDerWaalsContact N-O 3.15Å; C108-Y207 PolarHBondContact O-N 3.19Å; M172-Y207 HydrophobicContact CE-CD2 4.02Å; M172-Y207 HydrophobicContact CE-CE2 3.61Å; T205-Y207 HydrophobicContact CG2-CE1 3.98Å; T205-Y207 HydrophobicContact CG2-CE2 3.94Å; T205-Y207 WeakPolarHBondContact O-CE2 3.47Å; Y207-E209 VanDerWaalsContact C-N 3.3Å; Y207-L214 HydrophobicContact CD1-CD1 3.82Å; Y207-L214 HydrophobicContact CD1-CD2 4.04Å; Y207-L214 HydrophobicContact CD2-CD1 3.57Å; Y207-L214 HydrophobicContact CE1-CD1 4.24Å; Y207-L214 HydrophobicContact CE1-CD2 4.39Å; Y207-L214 HydrophobicContact CE2-CD1 4.01Å; Y207-L214 HydrophobicContact CG-CD1 3.46Å; Y207-L214 VanDerWaalsContact CG-CD1 3.46Å; Y207-L214 HydrophobicContact CG-CD2 4.45Å
208T88.6Confident85.2Confident81 Ų8154.4 Ų54.450%0.49730%0.301SS..SBendtrans-80.5-11.3173.948.10000113.3Q107Q107-T208 VanDerWaalsContact CD-O 3.29Å; Q107-T208 WeakPolarHBondContact CG-O 3.48Å; Q107-T208 PolarHBondContact NE2-O 3.39Å
209E86.5Confident83.1Confident108 Ų10852.8 Ų52.851%0.50531%0.307SS..SBendtrans-95.4150.6174.5-64.6-175.6-176.900111.2C108 Y207 A213C108-E209 WeakPolarHBondContact CB-O 3.43Å; C108-E209 PolarHBondContact N-O 2.95Å; Y207-E209 VanDerWaalsContact C-N 3.3Å; E209-A213 HydrophobicContact CB-CB 4.36Å
210P89.2Confident81Confident44 Ų4458.4 Ų58.429%0.28634%0.344SS..  trans-68.6154176.430.4-36000111.2S212 A213P210-S212 PolarHBondContact O-N 3.4Å; P210-S212 VanDerWaalsContact O-N 3.14Å; P210-A213 HydrophobicContact CG-CB 4.17Å; P210-A213 WeakPolarHBondContact O-CB 3.39Å; P210-A213 PolarHBondContact O-N 2.82Å
211C91.8Very high78.6Confident12 Ų1265.9 Ų65.98%0.08138%0.383CS..Hα-helixtrans-61.9-31.1-174.1-59.90000112.4C108 M172 V173 D174 A213 L214 E215C108-C211 HydrophobicContact CB-CB 4.02Å; C108-C211 WeakPolarHBondContact CB-SG 3.47Å; C108-C211 WeakPolarHBondContact SG-CA 3.43Å; C108-C211 WeakPolarHBondContact SG-CB 3.31Å; C108-C211 CovalentContact SG-SG 2.03Å; C108-C211 PolarHBondContact SG-SG 3.19Å; M172-C211 HydrophobicContact CB-CB 4.28Å; V173-C211 PolarHBondContact O-SG 3.34Å; D174-C211 PolarHBondContact N-SG 3.15Å; D174-C211 VanDerWaalsContact OD1-CB 3.27Å; D174-C211 WeakPolarHBondContact OD1-CB 3.31Å; D174-C211 PolarHBondContact OD1-N 3Å; D174-C211 PolarHBondContact OD1-SG 2.8Å; D174-C211 VanDerWaalsContact OD1-SG 3.36Å; C211-A213 PolarHBondContact O-N 3.43Å; C211-L214 PolarHBondContact O-N 2.83Å; C211-L214 VanDerWaalsContact O-N 3.13Å; C211-E215 PolarHBondContact O-N 2.87Å
212S89.3Confident76.3Confident62 Ų6269.8 Ų69.843%0.43441%0.408SS..Hα-helixtrans-65.5-17.9175.460.30000115.1P210 K216P210-S212 PolarHBondContact O-N 3.4Å; P210-S212 VanDerWaalsContact O-N 3.14Å; S212-K216 WeakPolarHBondContact O-CD 3.45Å; S212-K216 WeakPolarHBondContact O-CG 3.38Å
213A84.7Confident74.2Confident35 Ų3574.6 Ų74.629%0.28944%0.442SS..Hα-helixtrans-80.4-42.7169.600000110.8E209 P210 C211 K216 A217E209-A213 HydrophobicContact CB-CB 4.36Å; P210-A213 HydrophobicContact CG-CB 4.17Å; P210-A213 WeakPolarHBondContact O-CB 3.39Å; P210-A213 PolarHBondContact O-N 2.82Å; C211-A213 PolarHBondContact O-N 3.43Å; A213-K216 PolarHBondContact O-N 2.56Å; A213-A217 PolarHBondContact O-N 3.43Å
214L81.6Confident72.1Confident37 Ų3778.9 Ų78.919%0.19446%0.461CS..Hα-helixtrans-66-38.8178.5-57.9173.2000112C108 M172 Y207 C211 K216 A217 S218C108-L214 HydrophobicContact CB-CD1 4.05Å; M172-L214 HydrophobicContact CE-CD1 3.65Å; Y207-L214 HydrophobicContact CD1-CD1 3.82Å; Y207-L214 HydrophobicContact CD1-CD2 4.04Å; Y207-L214 HydrophobicContact CD2-CD1 3.57Å; Y207-L214 HydrophobicContact CE1-CD1 4.24Å; Y207-L214 HydrophobicContact CE1-CD2 4.39Å; Y207-L214 HydrophobicContact CE2-CD1 4.01Å; Y207-L214 HydrophobicContact CG-CD1 3.46Å; Y207-L214 VanDerWaalsContact CG-CD1 3.46Å; Y207-L214 HydrophobicContact CG-CD2 4.45Å; C211-L214 PolarHBondContact O-N 2.83Å; C211-L214 VanDerWaalsContact O-N 3.13Å; L214-K216 VanDerWaalsContact C-N 3.32Å; L214-K216 PolarHBondContact O-N 3.48Å; L214-A217 PolarHBondContact O-N 3.29Å; L214-A217 VanDerWaalsContact O-N 3.14Å; L214-S218 PolarHBondContact O-N 3.49Å; L214-S218 PolarHBondContact O-OG 3.11Å
215E74.2Confident70.3Confident140 Ų14084.9 Ų84.965%0.65448%0.483SS*.Hα-helixtrans-57.5-45.4176.4-171.7-179.4-176.800111.1C211 A217 S218 A219C211-E215 PolarHBondContact O-N 2.87Å; E215-A217 VanDerWaalsContact C-N 3.28Å; E215-A217 PolarHBondContact O-N 2.91Å; E215-S218 WeakPolarHBondContact CA-OG 3.44Å; E215-S218 CarbonylContact O-C 3.49Å; E215-S218 WeakPolarHBondContact O-CA 3.4Å; E215-S218 PolarHBondContact O-N 3.34Å; E215-S218 PolarHBondContact O-OG 2.86Å; E215-A219 PolarHBondContact O-N 2.81Å
216K59.8Low69.1Low171 Ų17185.7 Ų85.774%0.74349%0.49SS*.Hα-helixtrans-64.8-27.8177.9-69.1173-176.4172.70113.8S212 A213 L214S212-K216 WeakPolarHBondContact O-CD 3.45Å; S212-K216 WeakPolarHBondContact O-CG 3.38Å; A213-K216 PolarHBondContact O-N 2.56Å; L214-K216 VanDerWaalsContact C-N 3.32Å; L214-K216 PolarHBondContact O-N 3.48Å
217A58.1Low68.3Low90 Ų9094 Ų9474%0.74452%0.518SS*.Hα-helixtrans-78.4-25.6171.900000112.6A213 L214 E215A213-A217 PolarHBondContact O-N 3.43Å; L214-A217 PolarHBondContact O-N 3.29Å; L214-A217 VanDerWaalsContact O-N 3.14Å; E215-A217 VanDerWaalsContact C-N 3.28Å; E215-A217 PolarHBondContact O-N 2.91Å
218S54.2Low67.5Low81 Ų8193.1 Ų93.157%0.56652%0.524SS*.Hα-helixtrans-95.8-11.3-179.970.70000115.1L214 E215L214-S218 PolarHBondContact O-N 3.49Å; L214-S218 PolarHBondContact O-OG 3.11Å; E215-S218 WeakPolarHBondContact CA-OG 3.44Å; E215-S218 CarbonylContact O-C 3.49Å; E215-S218 WeakPolarHBondContact O-CA 3.4Å; E215-S218 PolarHBondContact O-N 3.34Å; E215-S218 PolarHBondContact O-OG 2.86Å
219A45Very low66.8Low56 Ų5693.9 Ų93.946%0.46352%0.522SS..SBendtrans-50.1127171.600000107.9E215 L221E215-A219 PolarHBondContact O-N 2.81Å; A219-L221 PolarHBondContact O-N 3.4Å
220P47.3Very low66.4Low118 Ų11895.2 Ų95.277%0.76652%0.523SS*.PPolyproline II helixtrans-56.2118.3-179.423.3-32.4000106.7P222P220-P222 WeakPolarHBondContact O-CD 3.4Å
221L44.9Very low66Low157 Ų15799.6 Ų99.682%0.82254%0.538SS*.PPolyproline II helixtrans-46.8119.1168.5-81.2162.7000105.1A219 S223A219-L221 PolarHBondContact O-N 3.4Å; L221-S223 PolarHBondContact O-N 2.96Å
222P47.2Very low65.7Low81 Ų81100.7 Ų100.753%0.52655%0.552SS.*PPolyproline II helixtrans-53.2144.8177.922.1-31.9000106.5P220 Q224P220-P222 WeakPolarHBondContact O-CD 3.4Å; P222-Q224 HydrophobicContact CG-CG 4.17Å; P222-Q224 WeakPolarHBondContact O-CG 3.4Å; P222-Q224 PolarHBondContact O-N 3.4Å
223S49.9Very low65.5Low111 Ų111102.5 Ų102.578%0.77656%0.556SS**SBendtrans-6929.4-176.851.10000113.6L221 W225L221-S223 PolarHBondContact O-N 2.96Å; S223-W225 VanDerWaalsContact O-CD1 3.26Å; S223-W225 PolarHBondContact O-N 2.04Å
224Q51.9Low65.6Low149 Ų149105 Ų10570%0.69657%0.568SS**  trans-56.389.4147.780.1-168.5-2.100108P222 S226P222-Q224 HydrophobicContact CG-CG 4.17Å; P222-Q224 WeakPolarHBondContact O-CG 3.4Å; P222-Q224 PolarHBondContact O-N 3.4Å; Q224-S226 PolarHBondContact O-N 3.04Å
225W56.9Low65.9Low130 Ų130110 Ų11049%0.49259%0.588SS.*  trans-44.8130.3152.5-65.577.4000107.1S223 W227 Q229 Y230 L233S223-W225 VanDerWaalsContact O-CD1 3.26Å; S223-W225 PolarHBondContact O-N 2.04Å; W225-W227 PolarHBondContact O-N 2.81Å; W225-Q229 HydrophobicContact CB-CB 4.43Å; W225-Q229 HydrophobicContact CE3-CB 3.95Å; W225-Y230 HydrophobicContact CB-CD2 3.77Å; W225-Y230 HydrophobicContact CB-CE2 3.54Å; W225-Y230 HydrophobicContact CB-CG 4.45Å; W225-Y230 HydrophobicContact CG-CE2 4.27Å; W225-L233 HydrophobicContact CE3-CD1 3.89Å; W225-L233 HydrophobicContact CH2-CD1 4.04Å; W225-L233 HydrophobicContact CZ3-CD1 3.5Å
226S68.2Low66.7Low49 Ų49107 Ų10734%0.34358%0.579SS.*  trans-59.4147.6177.776.50000108.4Q224 A228 Q229 Y230Q224-S226 PolarHBondContact O-N 3.04Å; S226-A228 PolarHBondContact O-N 2.9Å; S226-Q229 WeakPolarHBondContact O-CA 3.44Å; S226-Q229 WeakPolarHBondContact O-CB 3.38Å; S226-Q229 PolarHBondContact O-N 2.82Å; S226-Q229 WeakPolarHBondContact OG-CG 3.03Å; S226-Q229 PolarHBondContact OG-N 3.27Å; S226-Q229 VanDerWaalsContact OG-N 3.16Å; S226-Y230 PolarHBondContact O-N 3.15Å
227W74.2Confident68.2Low197 Ų197100.3 Ų100.375%0.74656%0.559SS**Hα-helixtrans-50.6-37.3175.656.3-92.7000110.5W225 Q229 Y230 F231W225-W227 PolarHBondContact O-N 2.81Å; W227-Q229 PolarHBondContact O-N 3.21Å; W227-Y230 WeakPolarHBondContact O-CB 3.45Å; W227-Y230 PolarHBondContact O-N 2.87Å; W227-F231 AromaticContact CE3-CD2 3.85Å; W227-F231 HydrophobicContact CE3-CD2 3.85Å; W227-F231 HydrophobicContact CE3-CE2 4.13Å; W227-F231 WeakPolarHBondContact O-CD2 3.13Å; W227-F231 PolarHBondContact O-N 2.79Å
228A74.5Confident69.8Low47 Ų4799 Ų9939%0.38855%0.548SS..Hα-helixtrans-62.8-35.4174.400000114.1S226 G232S226-A228 PolarHBondContact O-N 2.9Å; A228-G232 PolarHBondContact O-N 3.25Å
229Q73.7Confident71.5Confident97 Ų9799.5 Ų99.545%0.45354%0.544SS..Hα-helixtrans-70.6-38.8172.2-71.7170.4-36.400112.1W225 S226 W227 G232 L233W225-Q229 HydrophobicContact CB-CB 4.43Å; W225-Q229 HydrophobicContact CE3-CB 3.95Å; S226-Q229 WeakPolarHBondContact O-CA 3.44Å; S226-Q229 WeakPolarHBondContact O-CB 3.38Å; S226-Q229 PolarHBondContact O-N 2.82Å; S226-Q229 WeakPolarHBondContact OG-CG 3.03Å; S226-Q229 PolarHBondContact OG-N 3.27Å; S226-Q229 VanDerWaalsContact OG-N 3.16Å; W227-Q229 PolarHBondContact O-N 3.21Å; Q229-G232 PolarHBondContact O-N 3.38Å; Q229-L233 WeakPolarHBondContact O-CB 3.2Å; Q229-L233 PolarHBondContact O-N 2.86Å
230Y77.7Confident73.8Confident135 Ų135101.3 Ų101.353%0.52955%0.545SS..Hα-helixtrans-60.1-49.8171.5-86.3-65.3000111W225 S226 W227 G232 L233 T234W225-Y230 HydrophobicContact CB-CD2 3.77Å; W225-Y230 HydrophobicContact CB-CE2 3.54Å; W225-Y230 HydrophobicContact CB-CG 4.45Å; W225-Y230 HydrophobicContact CG-CE2 4.27Å; S226-Y230 PolarHBondContact O-N 3.15Å; W227-Y230 WeakPolarHBondContact O-CB 3.45Å; W227-Y230 PolarHBondContact O-N 2.87Å; Y230-G232 VanDerWaalsContact C-N 3.32Å; Y230-G232 PolarHBondContact O-N 2.87Å; Y230-L233 PolarHBondContact O-N 2.84Å; Y230-T234 WeakPolarHBondContact O-CG2 3.28Å; Y230-T234 PolarHBondContact O-N 2.82Å; Y230-T234 PolarHBondContact O-OG1 2.84Å
231F80.6Confident75.9Confident137 Ų137100.6 Ų100.660%0.60153%0.534SS*.Hα-helixtrans-59.4-41.4175.4-81.9-71.7000112.3W227 T234 F235W227-F231 AromaticContact CE3-CD2 3.85Å; W227-F231 HydrophobicContact CE3-CD2 3.85Å; W227-F231 HydrophobicContact CE3-CE2 4.13Å; W227-F231 WeakPolarHBondContact O-CD2 3.13Å; W227-F231 PolarHBondContact O-N 2.79Å; F231-T234 WeakPolarHBondContact CA-OG1 2.99Å; F231-T234 PolarHBondContact O-N 2.89Å; F231-T234 PolarHBondContact O-OG1 2.7Å; F231-T234 VanDerWaalsContact O-OG1 3.06Å; F231-F235 WeakPolarHBondContact O-CB 3.33Å; F231-F235 PolarHBondContact O-N 3.31Å
232G85.4Confident78.1Confident35 Ų3595.3 Ų95.336%0.36152%0.518SS..Hα-helixtrans-60.6-49.6175.900000112.7A228 Q229 Y230 F235 V236A228-G232 PolarHBondContact O-N 3.25Å; Q229-G232 PolarHBondContact O-N 3.38Å; Y230-G232 VanDerWaalsContact C-N 3.32Å; Y230-G232 PolarHBondContact O-N 2.87Å; G232-F235 PolarHBondContact O-N 2.78Å; G232-V236 WeakPolarHBondContact O-CB 3.35Å; G232-V236 WeakPolarHBondContact O-CG2 3.38Å; G232-V236 PolarHBondContact O-N 3.35Å
233L85.3Confident80.2Confident100 Ų10097 Ų9752%0.52452%0.521SS..Hα-helixtrans-63.9-42.5176.8-80.8169.7000112.4W225 Q229 Y230 G237W225-L233 HydrophobicContact CE3-CD1 3.89Å; W225-L233 HydrophobicContact CH2-CD1 4.04Å; W225-L233 HydrophobicContact CZ3-CD1 3.5Å; Q229-L233 WeakPolarHBondContact O-CB 3.2Å; Q229-L233 PolarHBondContact O-N 2.86Å; Y230-L233 PolarHBondContact O-N 2.84Å; L233-G237 PolarHBondContact O-N 2.78Å
234T86.9Confident82.2Confident88 Ų8895.7 Ų95.754%0.5451%0.506SS..Hα-helixtrans-68-35.8176.854.20000112.5Y230 F231 A238Y230-T234 WeakPolarHBondContact O-CG2 3.28Å; Y230-T234 PolarHBondContact O-N 2.82Å; Y230-T234 PolarHBondContact O-OG1 2.84Å; F231-T234 WeakPolarHBondContact CA-OG1 2.99Å; F231-T234 PolarHBondContact O-N 2.89Å; F231-T234 PolarHBondContact O-OG1 2.7Å; F231-T234 VanDerWaalsContact O-OG1 3.06Å; T234-A238 VanDerWaalsContact O-CB 3.23Å; T234-A238 WeakPolarHBondContact O-CB 3.12Å; T234-A238 PolarHBondContact O-N 3.11Å
235F89.1Confident84.1Confident140 Ų14093.9 Ų93.961%0.61450%0.499SS*.Hα-helixtrans-67.6-45.5176.6-176.5-98.9000111.4F231 G232 A238 L239F231-F235 WeakPolarHBondContact O-CB 3.33Å; F231-F235 PolarHBondContact O-N 3.31Å; G232-F235 PolarHBondContact O-N 2.78Å; F235-A238 PolarHBondContact O-N 3.26Å; F235-L239 HydrophobicContact CD1-CD1 4.12Å; F235-L239 HydrophobicContact CE1-CD1 3.54Å; F235-L239 HydrophobicContact CZ-CD1 4.01Å; F235-L239 WeakPolarHBondContact O-CB 3.18Å; F235-L239 PolarHBondContact O-N 2.9Å
236V90.8Very high85.7Confident78 Ų7891.1 Ų91.147%0.47350%0.499SS..Hα-helixtrans-63.3-43.5174.5171.80000111.1G232 A238 L239 I240G232-V236 WeakPolarHBondContact O-CB 3.35Å; G232-V236 WeakPolarHBondContact O-CG2 3.38Å; G232-V236 PolarHBondContact O-N 3.35Å; V236-A238 PolarHBondContact O-N 3.12Å; V236-L239 PolarHBondContact O-N 2.88Å; V236-I240 HydrophobicContact CG1-CD1 3.8Å; V236-I240 HydrophobicContact CG1-CG1 4.45Å; V236-I240 VanDerWaalsContact O-CG1 3.29Å; V236-I240 WeakPolarHBondContact O-CG1 3.46Å; V236-I240 PolarHBondContact O-N 2.82Å
237G89.7Confident86.9Confident30 Ų3092.9 Ų92.931%0.30951%0.507SS..Hα-helixtrans-61.4-42175.400000113.1L233 I240 L241L233-G237 PolarHBondContact O-N 2.78Å; G237-I240 PolarHBondContact O-N 3.26Å; G237-L241 WeakPolarHBondContact O-CB 3.23Å; G237-L241 WeakPolarHBondContact O-CG 3.07Å; G237-L241 PolarHBondContact O-N 2.78Å
238A91.9Very high87.7Confident63 Ų6387.9 Ų87.952%0.52149%0.494SS..Hα-helixtrans-66.7-38.8175.400000112.5T234 F235 V236 G242T234-A238 VanDerWaalsContact O-CB 3.23Å; T234-A238 WeakPolarHBondContact O-CB 3.12Å; T234-A238 PolarHBondContact O-N 3.11Å; F235-A238 PolarHBondContact O-N 3.26Å; V236-A238 PolarHBondContact O-N 3.12Å; A238-G242 WeakPolarHBondContact O-CA 3.49Å; A238-G242 PolarHBondContact O-N 3.31Å
239L91.7Very high88.6Confident91 Ų9191.9 Ų91.948%0.47650%0.503SS..Hα-helixtrans-63.6-45.1173.4-107.3169.6000112F235 V236 G242 L243F235-L239 HydrophobicContact CD1-CD1 4.12Å; F235-L239 HydrophobicContact CE1-CD1 3.54Å; F235-L239 HydrophobicContact CZ-CD1 4.01Å; F235-L239 WeakPolarHBondContact O-CB 3.18Å; F235-L239 PolarHBondContact O-N 2.9Å; V236-L239 PolarHBondContact O-N 2.88Å; L239-G242 PolarHBondContact O-N 3.5Å; L239-L243 PolarHBondContact O-N 2.84Å
240I92.1Very high89.4Confident94 Ų9492.2 Ų92.248%0.48251%0.508SS..Hα-helixtrans-61.4-52.6177.1-70167.7000109.7V236 G237 G242 L243 L244V236-I240 HydrophobicContact CG1-CD1 3.8Å; V236-I240 HydrophobicContact CG1-CG1 4.45Å; V236-I240 VanDerWaalsContact O-CG1 3.29Å; V236-I240 WeakPolarHBondContact O-CG1 3.46Å; V236-I240 PolarHBondContact O-N 2.82Å; G237-I240 PolarHBondContact O-N 3.26Å; I240-G242 VanDerWaalsContact C-N 3.33Å; I240-G242 PolarHBondContact O-N 2.72Å; I240-L243 PolarHBondContact O-N 3.45Å; I240-L244 HydrophobicContact CG2-CD1 4.1Å; I240-L244 WeakPolarHBondContact O-CB 3.34Å; I240-L244 PolarHBondContact O-N 3.41Å
241L90.8Very high90.1Very high103 Ų10389.8 Ų89.854%0.53951%0.507SS..Hα-helixtrans-61.9-39.7178.6-71.5171.2000112.4G237 L243 L244 I245G237-L241 WeakPolarHBondContact O-CB 3.23Å; G237-L241 WeakPolarHBondContact O-CG 3.07Å; G237-L241 PolarHBondContact O-N 2.78Å; L241-L243 VanDerWaalsContact C-N 3.25Å; L241-L243 PolarHBondContact O-N 3.41Å; L241-L244 PolarHBondContact O-N 3.1Å; L241-I245 HydrophobicContact CB-CD1 4.46Å; L241-I245 WeakPolarHBondContact O-CB 3.49Å; L241-I245 VanDerWaalsContact O-CG1 3.3Å; L241-I245 WeakPolarHBondContact O-CG1 3.47Å; L241-I245 PolarHBondContact O-N 2.94Å
242G91.1Very high90.6Very high47 Ų4787.9 Ų87.949%0.48550%0.502SS..Hα-helixtrans-64.2-24.8176.800000114.1A238 L239 I240 P246A238-G242 WeakPolarHBondContact O-CA 3.49Å; A238-G242 PolarHBondContact O-N 3.31Å; L239-G242 PolarHBondContact O-N 3.5Å; I240-G242 VanDerWaalsContact C-N 3.33Å; I240-G242 PolarHBondContact O-N 2.72Å; G242-P246 WeakPolarHBondContact O-CD 3.39Å; G242-P246 WeakPolarHBondContact O-CG 3.37Å
243L91.2Very high90.8Very high115 Ų11590.3 Ų90.360%0.60251%0.506SS*.Hα-helixtrans-90.7-39.3170.5-79.4164.6000112.7L239 I240 L241 P246 V247L239-L243 PolarHBondContact O-N 2.84Å; I240-L243 PolarHBondContact O-N 3.45Å; L241-L243 VanDerWaalsContact C-N 3.25Å; L241-L243 PolarHBondContact O-N 3.41Å; L243-P246 WeakPolarHBondContact O-CD 3.21Å; L243-V247 WeakPolarHBondContact O-CB 3.31Å; L243-V247 VanDerWaalsContact O-CG2 3.23Å; L243-V247 WeakPolarHBondContact O-CG2 3.38Å; L243-V247 PolarHBondContact O-N 3.44Å
244L92.6Very high90.9Very high85 Ų8590.4 Ų90.445%0.44551%0.506SS..Hα-helixtrans-67.4-40-176.8-122.6163.4000112.2I240 L241 V247 L248I240-L244 HydrophobicContact CG2-CD1 4.1Å; I240-L244 WeakPolarHBondContact O-CB 3.34Å; I240-L244 PolarHBondContact O-N 3.41Å; L241-L244 PolarHBondContact O-N 3.1Å; L244-V247 PolarHBondContact O-N 3.49Å; L244-L248 HydrophobicContact CD2-CD1 3.57Å; L244-L248 HydrophobicContact CD2-CG 3.94Å; L244-L248 VanDerWaalsContact O-CB 3.32Å; L244-L248 WeakPolarHBondContact O-CB 3.05Å; L244-L248 PolarHBondContact O-N 3.47Å
245I90.9Very high91Very high110 Ų11093.7 Ų93.756%0.56451%0.508SS*.Hα-helixtrans-65-51.5-177.7-68165.8000111.7L241 V247 L248 F249L241-I245 HydrophobicContact CB-CD1 4.46Å; L241-I245 WeakPolarHBondContact O-CB 3.49Å; L241-I245 VanDerWaalsContact O-CG1 3.3Å; L241-I245 WeakPolarHBondContact O-CG1 3.47Å; L241-I245 PolarHBondContact O-N 2.94Å; I245-V247 PolarHBondContact O-N 2.72Å; I245-L248 PolarHBondContact O-N 2.79Å; I245-F249 WeakPolarHBondContact O-CB 3.29Å; I245-F249 PolarHBondContact O-N 2.84Å
246P92.2Very high90.8Very high73 Ų7389.2 Ų89.247%0.47450%0.497SS..Hα-helixtrans-60.9-41175.1-25.235.5000113.1G242 L243 F249 L250G242-P246 WeakPolarHBondContact O-CD 3.39Å; G242-P246 WeakPolarHBondContact O-CG 3.37Å; L243-P246 WeakPolarHBondContact O-CD 3.21Å; P246-F249 PolarHBondContact O-N 3.07Å; P246-L250 WeakPolarHBondContact O-CB 3.43Å; P246-L250 PolarHBondContact O-N 2.86Å
247V91.7Very high90.4Very high86 Ų8689.4 Ų89.452%0.52150%0.501SS..Hα-helixtrans-65.2-45.1179.2171.90000111.3L243 L244 I245 F249 L250 V251L243-V247 WeakPolarHBondContact O-CB 3.31Å; L243-V247 VanDerWaalsContact O-CG2 3.23Å; L243-V247 WeakPolarHBondContact O-CG2 3.38Å; L243-V247 PolarHBondContact O-N 3.44Å; L244-V247 PolarHBondContact O-N 3.49Å; I245-V247 PolarHBondContact O-N 2.72Å; V247-F249 VanDerWaalsContact C-N 3.34Å; V247-F249 PolarHBondContact O-N 3.13Å; V247-L250 PolarHBondContact O-N 2.88Å; V247-V251 WeakPolarHBondContact O-CG2 3.35Å; V247-V251 PolarHBondContact O-N 3.11Å
248L92.3Very high90Very high91 Ų9195.6 Ų95.648%0.47652%0.515SS..Hα-helixtrans-60.6-43.1173.5-89.5166.9000111.8L244 I245 L250 V251 I252L244-L248 HydrophobicContact CD2-CD1 3.57Å; L244-L248 HydrophobicContact CD2-CG 3.94Å; L244-L248 VanDerWaalsContact O-CB 3.32Å; L244-L248 WeakPolarHBondContact O-CB 3.05Å; L244-L248 PolarHBondContact O-N 3.47Å; I245-L248 PolarHBondContact O-N 2.79Å; L248-L250 VanDerWaalsContact C-N 3.34Å; L248-L250 PolarHBondContact O-N 3.34Å; L248-V251 PolarHBondContact O-N 3.22Å; L248-I252 WeakPolarHBondContact O-CB 3.38Å; L248-I252 WeakPolarHBondContact O-CD1 3.41Å; L248-I252 VanDerWaalsContact O-CG1 3.23Å; L248-I252 WeakPolarHBondContact O-CG1 3.5Å; L248-I252 PolarHBondContact O-N 3.05Å
249F92Very high89.5Confident131 Ų131100.1 Ų100.158%0.57552%0.519SS*.Hα-helixtrans-62-42.3177.5-170.7-104.8000111.7I245 P246 V247 I252 L253I245-F249 WeakPolarHBondContact O-CB 3.29Å; I245-F249 PolarHBondContact O-N 2.84Å; P246-F249 PolarHBondContact O-N 3.07Å; V247-F249 VanDerWaalsContact C-N 3.34Å; V247-F249 PolarHBondContact O-N 3.13Å; F249-I252 PolarHBondContact O-N 3.41Å; F249-L253 HydrophobicContact CD1-CD1 3.83Å; F249-L253 HydrophobicContact CD1-CG 4.36Å; F249-L253 HydrophobicContact CE1-CD1 3.51Å; F249-L253 HydrophobicContact CE1-CG 4.13Å; F249-L253 HydrophobicContact CZ-CD1 4.19Å; F249-L253 HydrophobicContact CZ-CG 4.42Å; F249-L253 WeakPolarHBondContact O-CB 3.31Å; F249-L253 WeakPolarHBondContact O-CG 3.27Å; F249-L253 PolarHBondContact O-N 3.13Å
250L91.4Very high88.7Confident105 Ų105104.6 Ų104.655%0.5553%0.53SS..Hα-helixtrans-64.4-42.4175.4-130.5168.1000111.7P246 V247 L248 L253 I254P246-L250 WeakPolarHBondContact O-CB 3.43Å; P246-L250 PolarHBondContact O-N 2.86Å; V247-L250 PolarHBondContact O-N 2.88Å; L248-L250 VanDerWaalsContact C-N 3.34Å; L248-L250 PolarHBondContact O-N 3.34Å; L250-L253 PolarHBondContact O-N 3.28Å; L250-I254 HydrophobicContact CD2-CD1 3.65Å; L250-I254 HydrophobicContact CD2-CG1 4.07Å; L250-I254 WeakPolarHBondContact O-CB 3.49Å; L250-I254 VanDerWaalsContact O-CG1 3.28Å; L250-I254 WeakPolarHBondContact O-CG1 3.37Å; L250-I254 PolarHBondContact O-N 3.33Å
251V91.8Very high87.4Confident84 Ų84104.2 Ų104.251%0.50953%0.525SS..Hα-helixtrans-63.8-41.5175170.20000111.5V247 L248 I254 W255V247-V251 WeakPolarHBondContact O-CG2 3.35Å; V247-V251 PolarHBondContact O-N 3.11Å; L248-V251 PolarHBondContact O-N 3.22Å; V251-I254 PolarHBondContact O-N 3.37Å; V251-W255 VanDerWaalsContact O-CB 3.28Å; V251-W255 WeakPolarHBondContact O-CB 3.26Å; V251-W255 PolarHBondContact O-N 3.17Å
252I91.2Very high85.9Confident97 Ų97106.7 Ų106.750%0.49753%0.534SS..Hα-helixtrans-65.2-41.9176-69.9164.1000110.7L248 F249 W255 A256L248-I252 WeakPolarHBondContact O-CB 3.38Å; L248-I252 WeakPolarHBondContact O-CD1 3.41Å; L248-I252 VanDerWaalsContact O-CG1 3.23Å; L248-I252 WeakPolarHBondContact O-CG1 3.5Å; L248-I252 PolarHBondContact O-N 3.05Å; F249-I252 PolarHBondContact O-N 3.41Å; I252-W255 PolarHBondContact O-N 3.08Å; I252-A256 VanDerWaalsContact O-CB 3.28Å; I252-A256 WeakPolarHBondContact O-CB 3.28Å; I252-A256 PolarHBondContact O-N 2.04Å
253L90Very high84.3Confident85 Ų85108.3 Ų108.345%0.44554%0.543SS..Hα-helixtrans-63.1-46.7174.2-77.2177.8000111.9F249 L250 W255 A256 C257F249-L253 HydrophobicContact CD1-CD1 3.83Å; F249-L253 HydrophobicContact CD1-CG 4.36Å; F249-L253 HydrophobicContact CE1-CD1 3.51Å; F249-L253 HydrophobicContact CE1-CG 4.13Å; F249-L253 HydrophobicContact CZ-CD1 4.19Å; F249-L253 HydrophobicContact CZ-CG 4.42Å; F249-L253 WeakPolarHBondContact O-CB 3.31Å; F249-L253 WeakPolarHBondContact O-CG 3.27Å; F249-L253 PolarHBondContact O-N 3.13Å; L250-L253 PolarHBondContact O-N 3.28Å; L253-W255 VanDerWaalsContact C-N 3.31Å; L253-W255 PolarHBondContact O-N 3.25Å; L253-A256 PolarHBondContact O-N 3.13Å; L253-C257 WeakPolarHBondContact O-CB 3.27Å; L253-C257 PolarHBondContact O-N 2.99Å; L253-C257 PolarHBondContact O-SG 3.06Å; L253-C257 VanDerWaalsContact O-SG 3.34Å
254I88.1Confident82.6Confident103 Ų103109.7 Ų109.753%0.52855%0.548SS..Hα-helixtrans-59.8-43.2175.5-71165.6000110.4L250 V251 R258L250-I254 HydrophobicContact CD2-CD1 3.65Å; L250-I254 HydrophobicContact CD2-CG1 4.07Å; L250-I254 WeakPolarHBondContact O-CB 3.49Å; L250-I254 VanDerWaalsContact O-CG1 3.28Å; L250-I254 WeakPolarHBondContact O-CG1 3.37Å; L250-I254 PolarHBondContact O-N 3.33Å; V251-I254 PolarHBondContact O-N 3.37Å; I254-R258 VanDerWaalsContact O-CB 3.22Å; I254-R258 WeakPolarHBondContact O-CB 3.38Å; I254-R258 PolarHBondContact O-N 3.24Å
255W88.2Confident80.4Confident156 Ų156110.5 Ų110.559%0.59155%0.549SS*.Hα-helixtrans-66.2-41.8177.7-178.686.6000112.4V251 I252 L253 R258 R259V251-W255 VanDerWaalsContact O-CB 3.28Å; V251-W255 WeakPolarHBondContact O-CB 3.26Å; V251-W255 PolarHBondContact O-N 3.17Å; I252-W255 PolarHBondContact O-N 3.08Å; L253-W255 VanDerWaalsContact C-N 3.31Å; L253-W255 PolarHBondContact O-N 3.25Å; W255-R258 PolarHBondContact O-N 2.85Å; W255-R259 VanDerWaalsContact O-CB 3.25Å; W255-R259 WeakPolarHBondContact O-CB 3.43Å; W255-R259 PolarHBondContact O-N 2.84Å
256A84.9Confident78.2Confident46 Ų46109.3 Ų109.338%0.3855%0.551SS.*Hα-helixtrans-64.7-45.3175.900000111.6I252 L253 R259 R260I252-A256 VanDerWaalsContact O-CB 3.28Å; I252-A256 WeakPolarHBondContact O-CB 3.28Å; I252-A256 PolarHBondContact O-N 2.04Å; L253-A256 PolarHBondContact O-N 3.13Å; A256-R259 PolarHBondContact O-N 3.39Å; A256-R260 WeakPolarHBondContact O-CB 3.27Å; A256-R260 PolarHBondContact O-N 2.84Å
257C83.3Confident75.8Confident83 Ų83113.8 Ų113.856%0.56157%0.571SS**Hα-helixtrans-60.4-46173.7-73.70000111.6L253 R260 H261L253-C257 WeakPolarHBondContact O-CB 3.27Å; L253-C257 PolarHBondContact O-N 2.99Å; L253-C257 PolarHBondContact O-SG 3.06Å; L253-C257 VanDerWaalsContact O-SG 3.34Å; C257-R260 PolarHBondContact O-N 2.9Å; C257-H261 PolarHBondContact O-N 2.89Å
258R81.1Confident73.4Confident159 Ų159118.7 Ų118.760%0.658%0.581SS**Hα-helixtrans-64.8-41.2177.2-174.6173.9175.1177.2-0.1112.1I254 W255 R260 H261 H262I254-R258 VanDerWaalsContact O-CB 3.22Å; I254-R258 WeakPolarHBondContact O-CB 3.38Å; I254-R258 PolarHBondContact O-N 3.24Å; W255-R258 PolarHBondContact O-N 2.85Å; R258-R260 VanDerWaalsContact C-N 3.35Å; R258-H261 PolarHBondContact O-N 2.84Å; R258-H262 PolarHBondContact O-CD2 3.41Å; R258-H262 PolarHBondContact O-N 3.29Å
259R81.3Confident71.2Confident159 Ų159118.2 Ų118.260%0.658%0.582SS**Hα-helixtrans-65-37.7175.4-170.9172.5-176.3172.30.7111.6W255 A256 H262 A263W255-R259 VanDerWaalsContact O-CB 3.25Å; W255-R259 WeakPolarHBondContact O-CB 3.43Å; W255-R259 PolarHBondContact O-N 2.84Å; A256-R259 PolarHBondContact O-N 3.39Å; R259-H262 PolarHBondContact O-N 3.11Å; R259-A263 WeakPolarHBondContact O-CB 3.2Å; R259-A263 PolarHBondContact O-N 2.83Å; R259-A263 VanDerWaalsContact O-N 3.08Å
260R75.1Confident68.9Low185 Ų185118.5 Ų118.570%0.69859%0.59SS**Hα-helixtrans-68.4-37.6173.7-160.8173.7-170.7169.73.2112A256 C257 R258 A263 M264A256-R260 WeakPolarHBondContact O-CB 3.27Å; A256-R260 PolarHBondContact O-N 2.84Å; C257-R260 PolarHBondContact O-N 2.9Å; R258-R260 VanDerWaalsContact C-N 3.35Å; R260-A263 PolarHBondContact O-N 3.23Å; R260-M264 PolarHBondContact O-N 3.47Å
261H63.5Low66.5Low85 Ų85119 Ų11939%0.39460%0.602SS.*Hα-helixtrans-63.2-43.2172.8-121.6-73.7000112.3C257 R258 A263 M264 H265 F274C257-H261 PolarHBondContact O-N 2.89Å; R258-H261 PolarHBondContact O-N 2.84Å; H261-A263 VanDerWaalsContact C-N 3.25Å; H261-A263 PolarHBondContact O-N 2.86Å; H261-M264 PolarHBondContact O-N 3.33Å; H261-H265 AromaticContact CE1-CD2 3.55Å; H261-H265 AromaticContact CE1-NE2 3.6Å; H261-H265 AromaticContact ND1-CD2 3.32Å; H261-H265 PolarHBondContact ND1-CD2 2.87Å; H261-H265 VanDerWaalsContact ND1-CD2 3.32Å; H261-H265 AromaticContact ND1-NE2 3.88Å; H261-H265 PolarHBondContact O-N 2.98Å; H261-H265 VanDerWaalsContact O-N 3.13Å; H261-F274 AromaticContact CD2-CZ 3.88Å
262H60.8Low64.2Low155 Ų155122.8 Ų122.872%0.71861%0.612SS**Hα-helixtrans-64.8-26173.8-74.3-58.7000113.4R258 R259R258-H262 PolarHBondContact O-CD2 3.41Å; R258-H262 PolarHBondContact O-N 3.29Å; R259-H262 PolarHBondContact O-N 3.11Å
263A57.6Low62.2Low82 Ų82123.5 Ų123.568%0.67862%0.616SS**Hα-helixtrans-83.9-14.9177.300000114.3R259 R260 H261R259-A263 WeakPolarHBondContact O-CB 3.2Å; R259-A263 PolarHBondContact O-N 2.83Å; R259-A263 VanDerWaalsContact O-N 3.08Å; R260-A263 PolarHBondContact O-N 3.23Å; H261-A263 VanDerWaalsContact C-N 3.25Å; H261-A263 PolarHBondContact O-N 2.86Å
264M55.7Low60.2Low143 Ų143127 Ų12770%0.70463%0.628SS**Hα-helixtrans-121.3-6-174.3-72.6-161.4162.400115.7R260 H261R260-M264 PolarHBondContact O-N 3.47Å; H261-M264 PolarHBondContact O-N 3.33Å
265H46.3Very low58.2Low102 Ų102126 Ų12647%0.47263%0.63SS.*  trans-111.4122.9174.4-76.5-85.7000112.5H261H261-H265 AromaticContact CE1-CD2 3.55Å; H261-H265 AromaticContact CE1-NE2 3.6Å; H261-H265 AromaticContact ND1-CD2 3.32Å; H261-H265 PolarHBondContact ND1-CD2 2.87Å; H261-H265 VanDerWaalsContact ND1-CD2 3.32Å; H261-H265 AromaticContact ND1-NE2 3.88Å; H261-H265 PolarHBondContact O-N 2.98Å; H261-H265 VanDerWaalsContact O-N 3.13Å
266S44.5Very low56.4Low86 Ų86122.4 Ų122.460%0.60163%0.625SS**  trans-60.8169.4171.457.90000112Y268S266-Y268 PolarHBondContact O-N 2.88Å
267N41.4Very low54.7Low166 Ų166124.8 Ų124.889%0.88863%0.632SS**THydrogen-bonded Turntrans-64.132.1-175.5-73.7-28.6000116.2
268Y42.3Very low53Low189 Ų189126.4 Ų126.474%0.74163%0.634SS**THydrogen-bonded Turntrans-118.3-0.7-173.3-126-91.9000115.9S266S266-Y268 PolarHBondContact O-N 2.88Å
269T45.7Very low51.3Low81 Ų81128.2 Ų128.250%0.49764%0.641SS.*  trans-116.567.4173.861.20000111.9L273T269-L273 HydrophobicContact CG2-CD1 3.99Å
270N44Very low49.5Very low138 Ų138129.5 Ų129.574%0.73865%0.647SS**  trans-62.8139.2161.8-82.6-57.3000110.7K272N270-K272 PolarHBondContact O-N 3.32Å
271S40.8Very low48Very low114 Ų114130.4 Ų130.480%0.79765%0.652SS**SBendtrans57.27.4147600000122.9
272K43.9Very low47.6Very low165 Ų165133 Ų13372%0.71767%0.667SS**SBendtrans-130.9-6.7180-87.9-168.8175.6-177.10121.1N270 T276N270-K272 PolarHBondContact O-N 3.32Å; K272-T276 PolarHBondContact O-OG1 2.84Å
273L48.9Very low46.8Very low112 Ų112127.9 Ų127.959%0.58666%0.657SS**SBendtrans-104.51.5-167.5-73.8171.6000117.7T269T269-L273 HydrophobicContact CG2-CD1 3.99Å
274F46.9Very low45.8Very low158 Ų158126 Ų12669%0.69365%0.646SS**SBendtrans-122.2-6179.8-87.1-79.2000116.1H261H261-F274 AromaticContact CD2-CZ 3.88Å
275S46.6Very low45.1Very low81 Ų81129.5 Ų129.557%0.56666%0.657SS**SBendtrans-102.1-22.5179.749.70000114.7
276T49.4Very low45Very low81 Ų81132 Ų13250%0.49767%0.669SS.*SBendtrans-97.7-31.4-171.746.50000114.4K272 Y280K272-T276 PolarHBondContact O-OG1 2.84Å; T276-Y280 PolarHBondContact O-N 2.88Å
277N50.1Low44.8Very low97 Ų97134.8 Ų134.852%0.51968%0.675SS.*Hα-helixtrans-81.6-22.8-177.7-96.1-25.2000114.8Y280 Y281N277-Y280 PolarHBondContact O-N 3.28Å; N277-Y281 PolarHBondContact O-N 2.96Å
278L46.6Very low44.8Very low116 Ų116131.7 Ų131.761%0.60767%0.666SS**Hα-helixtrans-72.9-35.3175.4-159.278.9000111.4Y280 Y281 I282L278-Y280 VanDerWaalsContact C-N 3.35Å; L278-Y281 PolarHBondContact O-N 3.36Å; L278-I282 HydrophobicContact CD1-CD1 4.13Å; L278-I282 HydrophobicContact CD2-CD1 4.12Å; L278-I282 HydrophobicContact CG-CD1 3.79Å; L278-I282 HydrophobicContact CG-CG1 4.44Å; L278-I282 WeakPolarHBondContact O-CB 3.46Å; L278-I282 WeakPolarHBondContact O-CG1 3.44Å; L278-I282 PolarHBondContact O-N 2.98Å
279W45.7Very low44.6Very low197 Ų197129.5 Ų129.575%0.74667%0.667SS**Hα-helixtrans-65-38.6170.6-89.785.2000111.8Y281 I282 G283W279-Y281 PolarHBondContact O-N 3.41Å; W279-I282 PolarHBondContact O-N 3.49Å; W279-G283 CarbonylContact O-C 3.52Å; W279-G283 VanDerWaalsContact O-C 3.3Å; W279-G283 WeakPolarHBondContact O-CA 3.49Å; W279-G283 PolarHBondContact O-N 3.32Å
280Y44.6Very low44.2Very low186 Ų186132.7 Ų132.773%0.72968%0.681SS**Hα-helixtrans-62.8-25.4173.9-115.2-91000114.2T276 N277 L278T276-Y280 PolarHBondContact O-N 2.88Å; N277-Y280 PolarHBondContact O-N 3.28Å; L278-Y280 VanDerWaalsContact C-N 3.35Å
281Y43.1Very low44Very low204 Ų204131.1 Ų131.180%0.868%0.678SS**Hα-helixtrans-99.5-10.8178.9-96.3-91.7000115.2N277 L278 W279N277-Y281 PolarHBondContact O-N 2.96Å; L278-Y281 PolarHBondContact O-N 3.36Å; W279-Y281 PolarHBondContact O-N 3.41Å
282I55.6Low44.1Very low139 Ų139133 Ų13371%0.71368%0.679SS**Hα-helixtrans-121.3-16.4-178.1-60.6-176.6000112L278 W279L278-I282 HydrophobicContact CD1-CD1 4.13Å; L278-I282 HydrophobicContact CD2-CD1 4.12Å; L278-I282 HydrophobicContact CG-CD1 3.79Å; L278-I282 HydrophobicContact CG-CG1 4.44Å; L278-I282 WeakPolarHBondContact O-CB 3.46Å; L278-I282 WeakPolarHBondContact O-CG1 3.44Å; L278-I282 PolarHBondContact O-N 2.98Å; W279-I282 PolarHBondContact O-N 3.49Å
283G44.2Very low43.6Very low49 Ų49128.7 Ų128.751%0.50568%0.682SS.*SBendtrans-144.663.8179.600000111.6W279W279-G283 CarbonylContact O-C 3.52Å; W279-G283 VanDerWaalsContact O-C 3.3Å; W279-G283 WeakPolarHBondContact O-CA 3.49Å; W279-G283 PolarHBondContact O-N 3.32Å
284G35.4Very low42.9Very low43 Ų43132.9 Ų132.944%0.44370%0.696SS.*  trans-126.251.6-17400000113.9E286G284-E286 PolarHBondContact O-N 2.88Å
285K41.9Very low42.4Very low216 Ų216136.7 Ų136.794%0.93971%0.705SS**  trans-72.8119.3159.2-172.8174.6-179.7178.70107.2
286E43.4Very low41.8Very low153 Ų153136.4 Ų136.472%0.71572%0.715SS**  trans-82.1172.4-162.4-47.3176.6-179.700113.7G284G284-E286 PolarHBondContact O-N 2.88Å
287I40.1Very low41Very low145 Ų145138 Ų13874%0.74473%0.73SS**  trans76.4133.3161.7-47.9139.1000112.2
288C41Very low40.5Very low101 Ų101138.4 Ų138.468%0.68274%0.74SS**  cis-135.5153.324.4-15.90000114.9
289D38.4Very low39.9Very low143 Ų143137.3 Ų137.377%0.76574%0.742SS**  trans56.3104.5136.7-48.4-24.8000121.1
290D37.1Very low39.3Very low149 Ų149135.5 Ų135.580%0.79774%0.744SS**  -146.690.6128-155.9-6.5000112N292D290-N292 PolarHBondContact O-N 3.16Å; D290-N292 VanDerWaalsContact O-N 3.14Å
291P40.7Very low38.8Very low105 Ų105134.9 Ų134.968%0.68275%0.752SS**THydrogen-bonded Turntrans-86.276.5-178.235.1-33.3000111.1
292N41.7Very low38.3Very low153 Ų153136 Ų13682%0.81876%0.755SS**THydrogen-bonded Turntrans-1726.1158.2-93.3-36000115.8D290 F294D290-N292 PolarHBondContact O-N 3.16Å; D290-N292 VanDerWaalsContact O-N 3.14Å; N292-F294 PolarHBondContact O-N 3.49Å
293G34.6Very low37.2Very low75 Ų75134.5 Ų134.577%0.77376%0.757SS**  trans-71.870.9-17400000117.2
294F34.8Very low36.9Very low200 Ų200141.2 Ų141.288%0.87777%0.772SS**  trans36.6116.8155.9-96.9-98.4000121.1N292 G296N292-F294 PolarHBondContact O-N 3.49Å; F294-G296 PolarHBondContact O-N 3.34Å
295R36.3Very low36.9Very low237 Ų237145.9 Ų145.989%0.89478%0.782SS**  trans-58.2129.4162.4-68.6177.2169.2-155.8-2.4112
296G33.9Very low36.6Very low75 Ų75143.3 Ų143.377%0.77377%0.772SS**  trans-123.172.2169.200000112.4F294 S298F294-G296 PolarHBondContact O-N 3.34Å; G296-S298 PolarHBondContact O-N 3.04Å
297S32.6Very low36.3Very low115 Ų115142.5 Ų142.580%0.80477%0.772SS**  trans-85.6107.4175.3-60.20000111.4
298S38.2Very low36Very low106 Ų106141.1 Ų141.174%0.74178%0.775SS**  trans-135.892.9172.3-56.90000107.4G296G296-S298 PolarHBondContact O-N 3.04Å
299S34.7Very low35.9Very low92 Ų92141.9 Ų141.964%0.64378%0.779SS**  89.5141.977.171.10000113.3
300M34Very low35.9Very low159 Ų159140.9 Ų140.978%0.78378%0.783SS**  trans73.5105.1173.2-55.1-164-88.400118.7
301L33.8Very low36Very low173 Ų173137.7 Ų137.791%0.90678%0.778SS**  -146.2158.6105.2-106.9174.5000111.5
302R32.8Very low35.9Very low228 Ų228139.8 Ų139.886%0.8679%0.789SS**  trans-123.7156.4-157.7-175.8-176.8-178-171.12.3111
303S31.5Very low35.6Very low107 Ų107135.4 Ų135.475%0.74878%0.78SS**  trans79.9111.5163.879.10000118.6
304K38Very low35.9Very low191 Ų191138 Ų13883%0.8378%0.781SS**  -177.9148.1109.2-89.2171-175-178.40105.2
305Q35.3Very low36.1Very low140 Ų140135 Ų13565%0.65477%0.773SS**  cis178.2152.5-7.4-168.6173.2-25.300102.6
306F36.3Very low36.2Very low162 Ų162130.7 Ų130.771%0.71177%0.767SS**  trans75.8113.9174.9-63-75.3000121.5
307N36.6Very low36.4Very low137 Ų137134.4 Ų134.473%0.73377%0.769SS**  61.6114.3127-63.26.1000123.6
308S34.8Very low36.5Very low115 Ų115132.2 Ų132.280%0.80477%0.765SS**  trans88.8140.3135.6-58.90000119.4
309P36.9Very low36.1Very low118 Ų118131 Ų13177%0.76677%0.769SS**  trans-105-175.3-166.442.5-36.9000114.4
310S38.6Very low36Very low122 Ų122130.8 Ų130.885%0.85378%0.781SS**  trans85137.3177.678.30000115.4
311A39.2Very low36Very low82 Ų82127.2 Ų127.268%0.67879%0.785SS**  cis-159.9159.8-12.800000112.3
312T39.9Very low35.9Very low149 Ų149122.1 Ų122.191%0.91477%0.774SS**  trans43.3128.6147.150.20000123.6
313G35.8Very low35.9Very low61 Ų61120.1 Ų120.163%0.62978%0.775SS**  trans140.9104.5147.900000113.2
314T39.2Very low36.1Very low130 Ų130123.4 Ų123.480%0.79878%0.778SS**  56.9133.662.672.10000114.5
315L39.9Very low35.9Very low137 Ų137120.8 Ų120.872%0.71777%0.772SS**  cis-175.5157.9-0.3-108.3170.5000107.9
316L38Very low35.9Very low146 Ų146122.2 Ų122.276%0.76478%0.781SS**  trans66.1161.3145.2-66.7168.8000119.2
317N37.5Very low35.7Very low152 Ų152121.6 Ų121.681%0.81378%0.784SS**  cis-173.6158.1-16.917438.7000110.9
318G35.1Very low35.6Very low69 Ų69120.7 Ų120.771%0.71179%0.789SS**  trans85.5147.8155.200000117.8
319G30.9Very low35.5Very low80 Ų80122.9 Ų122.983%0.82579%0.791SS**  cis148.3126.5-7.500000113.8
320G32.9Very low35.5Very low88 Ų88121.3 Ų121.391%0.90779%0.788SS**  trans83.3145.917300000115.3
321G32.1Very low35.3Very low84 Ų84122.8 Ų122.887%0.86679%0.786SS**  cis161.7156.2-7.600000112.2
322G32Very low35.2Very low66 Ų66125.3 Ų125.368%0.6879%0.793SS**  trans112.1115.9154.800000119.6
323H33.7Very low35.2Very low187 Ų187126.6 Ų126.687%0.86679%0.791SS**  trans57.3112.4137.5-58.9-83.1000121.4
324H36.2Very low35.2Very low176 Ų176130.7 Ų130.782%0.81580%0.798SS**  159.1149.483.5-161.2-89.1000110.9
325L33.9Very low35.2Very low136 Ų136132.5 Ų132.571%0.71280%0.803SS**  trans-85.4148.5178.9-59.8124.4000111.8
326M35.5Very low35.1Very low169 Ų169131.5 Ų131.583%0.83380%0.804SS**  162.6156.7104.3-88.9-145.5153.100114.3
327L31.8Very low34.9Very low149 Ų149132 Ų13278%0.7881%0.808SS**  trans-57.1149.7-173.8-62.665.6000114.7
328S33.4Very low35Very low119 Ų119131.1 Ų131.183%0.83281%0.807SS**  -155.5144.3127.847.10000111.2
329N32.1Very low35.2Very low161 Ų161133.8 Ų133.886%0.86181%0.809SS**  trans-78.5147.9178.1-61.7-28000110.9
330A37.2Very low35.9Very low85 Ų85135.6 Ų135.670%0.70281%0.805SS**  trans-154.6161.9153.900000111
331D35.6Very low36.2Very low152 Ų152137.1 Ų137.181%0.81380%0.798SS**  trans75.462.3161.7-51-17.9000118.2
332V37.5Very low36.5Very low135 Ų135137 Ų13782%0.81880%0.798SS**  trans-81131.4144.9175.80000108
333M39.4Very low36.8Very low176 Ų176136.8 Ų136.887%0.86780%0.795SS**  trans-118.1117.7173.8-75.1-75.6-81.800110.2
334D35.6Very low36.8Very low147 Ų147139.2 Ų139.279%0.78680%0.797SS**  trans-69.4152.9175-72.4-48.9000112.9
335L39.2Very low36.8Very low169 Ų169137.2 Ų137.289%0.88580%0.796SS**  trans-161.8156.4148.1-121.780.1000107.6
336P37.9Very low36.9Very low116 Ų116135.8 Ų135.875%0.75379%0.793SS**  -121.2175.6-118.8221.1000115.7
337D33.9Very low36.8Very low157 Ų157132 Ų13284%0.8479%0.788SS**  trans-54.8142.2-177.5-72.7-52.3000115.8
338V39.4Very low36.8Very low132 Ų132133.4 Ų133.480%0.879%0.789SS**  trans-115.3105.2162.2177.90000109.1
339V40Very low36.7Very low125 Ų125134.5 Ų134.576%0.75879%0.785SS**  trans-76.3121.9177.6177.10000110.5
340V45.7Very low36.5Very low119 Ų119137 Ų13772%0.72178%0.784SS**  trans-107.1112.9167.7-178.20000109.5
341P38.6Very low36.5Very low119 Ų119137.3 Ų137.377%0.77378%0.781SS**THydrogen-bonded Turntrans-70.7133.9176.6-16.230.4000112
342G38.5Very low36.2Very low83 Ų83133.4 Ų133.486%0.85678%0.777SS**THydrogen-bonded Turntrans103-0.2163.800000117.7R344G342-R344 PolarHBondContact O-N 3.47Å
343G37.3Very low36Very low61 Ų61134.3 Ų134.363%0.62978%0.777SS**  trans-76.3104.6179.100000114V345G343-V345 PolarHBondContact O-N 3.25Å; G343-V345 VanDerWaalsContact O-N 3.12Å
344R33.4Very low35.7Very low237 Ų237131.4 Ų131.489%0.89477%0.77SS**  trans-75.295.4166.1-164.9-175.1-160.7-165.26.8109.3G342 V346G342-R344 PolarHBondContact O-N 3.47Å; R344-V346 PolarHBondContact O-N 3.33Å
345V36.6Very low35.7Very low134 Ų134132.8 Ų132.881%0.81278%0.776SS**  trans-69.4119.1176.1-173.30000109.5G343G343-V345 PolarHBondContact O-N 3.25Å; G343-V345 VanDerWaalsContact O-N 3.12Å
346V35.9Very low35.2Very low107 Ų107128.8 Ų128.865%0.64878%0.775SS**  trans-117.6114.2162.4-170.40000106.3R344 F348R344-V346 PolarHBondContact O-N 3.33Å; V346-F348 PolarHBondContact O-N 3.49Å
347A33Very low35Very low88 Ų88126.9 Ų126.973%0.72778%0.777SS**  trans-70.6121.2-176.600000110.6N349A347-N349 PolarHBondContact O-N 3.1Å; A347-N349 VanDerWaalsContact O-N 3.15Å
348F33.3Very low34.9Very low180 Ų180126.5 Ų126.579%0.78978%0.775SS**  trans-77.793.1165.6-70-81.4000108.8V346 Y350V346-F348 PolarHBondContact O-N 3.49Å; F348-Y350 HydrophobicContact CB-CD2 4.19Å; F348-Y350 HydrophobicContact CB-CE2 4.09Å; F348-Y350 PolarHBondContact O-N 3.46Å; F348-Y350 VanDerWaalsContact O-N 3.08Å
349N31.6Very low34.4Very low141 Ų141126.3 Ų126.375%0.75477%0.774SS**  trans-74.697.3171.1-168.815000109.6A347 S351A347-N349 PolarHBondContact O-N 3.1Å; A347-N349 VanDerWaalsContact O-N 3.15Å; N349-S351 PolarHBondContact O-N 3.02Å
350Y27.4Very low34.2Very low214 Ų214128.5 Ų128.584%0.83978%0.781SS**  trans-77.996.9170.1-84.8-93000110F348F348-Y350 HydrophobicContact CB-CD2 4.19Å; F348-Y350 HydrophobicContact CB-CE2 4.09Å; F348-Y350 PolarHBondContact O-N 3.46Å; F348-Y350 VanDerWaalsContact O-N 3.08Å
351S35.8Very low33.6Very low92 Ų92133.6 Ų133.664%0.64379%0.787SS**  trans-134.6105.1161.661.70000109.7N349N349-S351 PolarHBondContact O-N 3.02Å
352G30.3Very low33.4Very low70 Ų70136.6 Ų136.672%0.72279%0.79SS**  trans-75.2-176.8170.400000112.5
353N32.5Very low33.2Very low153 Ų153139 Ų13982%0.81878%0.784SS**  trans7396.4-173.1-61-5.7000113.3
354T33.7Very low33.2Very low116 Ų116143.6 Ų143.671%0.71279%0.789SS**  70.112476.264.50000115
355L34.8Very low33.5Very low175 Ų175137.5 Ų137.592%0.91677%0.774SS**  trans74.492.1153.3-64.9160.5000119.1
356G30.2Very low33.4Very low85 Ų85138.3 Ų138.388%0.87677%0.774SS**  trans85.7161.913000000118.5
357G32.5Very low33.3Very low77 Ų77138 Ų13879%0.79478%0.782SS**  trans111.280.5164.400000116.3
358N32.4Very low33.3Very low148 Ų148136.9 Ų136.979%0.79178%0.779SS**  trans8125.7145.1-66.6-9.9000120
359T28.9Very low33.3Very low128 Ų128138.7 Ų138.779%0.78578%0.782SS**  trans47.9118.5133.2660000119.8
360L36.7Very low33.3Very low171 Ų171137.4 Ų137.490%0.89578%0.78SS**  trans-151.2131.9136.8-108.1162.4000110.7
361R32Very low33.5Very low226 Ų226133.9 Ų133.985%0.85378%0.776SS**  trans-91.2138.6179-80.3169.8151.6-178.3-6.5110.7
362H35.5Very low33.2Very low182 Ų182134.5 Ų134.584%0.84378%0.775SS**  trans-151.2104144.6-78.5-80.2000105.9
363N32.8Very low33.2Very low134 Ų134137.4 Ų137.472%0.71777%0.774SS**  69.593.751.4-167.427000115
364H38.3Very low33.3Very low158 Ų158141 Ų14173%0.73178%0.778SS**  trans-160.7124.4136.3-123.127.8000115.3
365N39Very low33.3Very low108 Ų108142.5 Ų142.558%0.57878%0.781SS**  trans69.3110.8137.8-59-1000124.6
366N34.1Very low33.3Very low152 Ų152139 Ų13981%0.81377%0.772SS**  124.5100.9129.8-77.71.8000113.2
367A34.4Very low33.5Very low99 Ų99142 Ų14282%0.81877%0.768SS**  68.7119.162.500000113.3
368G33.5Very low33.7Very low66 Ų66141.8 Ų141.868%0.6876%0.758SS**  cis175.4-179.7-6.100000114.8
369Y33.9Very low34Very low217 Ų217143.2 Ų143.285%0.85176%0.76SS**  trans60.6101.7152.4-68.6-80.9000123.8
370T30Very low34.3Very low114 Ų114143.5 Ų143.570%0.69976%0.757SS**  44.9142.5118.660.50000124.5
371N31.8Very low34.1Very low141 Ų141141.5 Ų141.575%0.75475%0.747SS**  trans114.5111.3141.5-88.5-16.5000121.1
372T29.3Very low34.1Very low104 Ų104138.4 Ų138.464%0.63874%0.742SS**  trans37.4135132.4600000123.6
373N30.6Very low34Very low131 Ų131135.1 Ų135.170%0.70174%0.735SS**  trans70.8118.5152.9-57-20.2000118.2
374Y34.7Very low33.8Very low228 Ų228136.3 Ų136.389%0.89474%0.738SS**  -176.1162.494.1-102.7-79.4000112.5
375L33.6Very low33.2Very low149 Ų149135.3 Ų135.378%0.7874%0.737SS**  trans-75.9169.7-172.4-129.971.3000113.1
376S34.8Very low32.7Very low102 Ų102135.8 Ų135.871%0.71374%0.744SS**  -171.1145.170.951.10000115.8
377N34.9Very low32.7Very low148 Ų148135.6 Ų135.679%0.79174%0.743SS**  trans60.4145.2145.7-73.6-9.5000121.4
378A35.9Very low32.6Very low72 Ų72136.4 Ų136.460%0.59574%0.738SS**  cis-158.8155.71.500000113.3
379Q39Very low32.5Very low178 Ų178141.3 Ų141.383%0.83275%0.748SS**  trans62.9139.6154-64.9172.5-15.900119.1
380N35.1Very low32.4Very low134 Ų134134.1 Ų134.172%0.71774%0.74SS**  cis-159.6141.4-13.7-121.7-11.1000110.7
381N32.4Very low32.5Very low128 Ų128135 Ų13568%0.68475%0.746SS**  trans-5.7149.9143.7-68.7-12.9000118.6
382Q32.7Very low32.5Very low161 Ų161134.4 Ų134.475%0.75275%0.747SS**  cis-175.2162.911.3-116.9173.1-1.200112.1
383V33Very low32.8Very low114 Ų114134.7 Ų134.769%0.69175%0.753SS**  trans72109.4140.5174.30000122.3
384M28.6Very low32.7Very low159 Ų159135.3 Ų135.378%0.78376%0.755SS**  trans56.4137130.4-67.8-162-173.100126.5
385L27.3Very low32.7Very low137 Ų137131.2 Ų131.272%0.71775%0.749SS**  trans81.2121.7133.7-73.5164.9000123
386T28.5Very low32.6Very low118 Ų118131.4 Ų131.472%0.72475%0.751SS**  trans81.2145.9137.755.90000123.3
387N32.3Very low32.4Very low148 Ų148132.6 Ų132.679%0.79176%0.758SS**  trans65121.3167.8-74.5-13.1000117.9
388V34Very low32.4Very low116 Ų116129.1 Ų129.170%0.70376%0.757SS**  94118.952.3167.10000112.3
389N29.7Very low32.1Very low168 Ų168131.8 Ų131.890%0.89877%0.766SS**  trans71.2137.5166.7-67.5-13000120.7
390G32.9Very low31.8Very low66 Ų66131.3 Ų131.368%0.6877%0.769SS**  trans133.473.9170.300000114.4
391T32.3Very low31.5Very low134 Ų134131.1 Ų131.182%0.82277%0.773SS**  67.410096.159.20000118.9
392V32.2Very low31.6Very low128 Ų128131.8 Ų131.878%0.77678%0.782SS**  trans49.5117.6132.3-170.80000121.8
393S33.8Very low31.4Very low109 Ų109130.3 Ų130.376%0.76278%0.783SS**  -178.6118.312328.70000109.9
394L29.6Very low31.4Very low144 Ų144131.3 Ų131.375%0.75479%0.789SS**  63.7108.288.4-95.5151.2000115.4
395N33.7Very low31.5Very low143 Ų143128.3 Ų128.377%0.76579%0.79SS**  178.2152.7116.9-89.8-20.8000115.6
396N33.2Very low31.4Very low152 Ų152133.2 Ų133.281%0.81380%0.799SS**  trans65.2154.7163.4-74.4-3.9000120.9
397C29.7Very low31.7Very low127 Ų127134.8 Ų134.886%0.85881%0.809SS**  cis-174.7153.8-37.5-160.20000107
398G34.1Very low31.6Very low75 Ų75131 Ų13177%0.77380%0.804SS**  trans122.88816300000116.2
399T30.5Very low31.5Very low129 Ų129134.4 Ų134.479%0.79181%0.813SS**  trans-85.9147.7159.747.20000110.7
400N33.5Very low31.6Very low168 Ų168133.4 Ų133.490%0.89881%0.808SS**  trans-161.3147.8132.9-101.8-17.1000112.3
401V28.5Very low31.6Very low130 Ų130136 Ų13679%0.78881%0.81SS**  trans-113.2132.1-175.4174.10000109.1
402T33.4Very low31.6Very low142 Ų142137.8 Ų137.887%0.87181%0.811SS**  trans-147.5123.3155.739.10000111.3
403T28.1Very low31.7Very low129 Ų129136.3 Ų136.379%0.79181%0.805SS**  trans-68.5156.3166.1-30000111.4
404V33.3Very low31.7Very low135 Ų135139 Ų13982%0.81881%0.81SS**  trans158.7125.9133.3159.30000113.3
405A30.9Very low31.8Very low97 Ų97138 Ų13880%0.80281%0.809SS**  trans58.5152.4150.100000124.5
406R26.3Very low31.6Very low239 Ų239136.7 Ų136.790%0.90281%0.811SS**  trans-82.3138.1177-70.9170.9167.1161.5-5.4113.1
407T34.2Very low31.4Very low151 Ų151137 Ų13793%0.92681%0.813SS**  trans174.914313331.50000105.2
408G30.9Very low31.3Very low68 Ų68140 Ų14070%0.70181%0.814SS**  cis152.1120.313.700000106.7
409Q30.5Very low31.2Very low188 Ų188144 Ų14488%0.87982%0.817SS**  trans53.9118.3169.1-66.6175.9-57.700121
410N33Very low31.2Very low148 Ų148145.2 Ų145.279%0.79182%0.817SS**  trans170.6103.8133.7-83.5-22.7000107.5
411T32.3Very low31.2Very low120 Ų120146.2 Ų146.274%0.73682%0.816SS**  50.4130.289.6630000114.2
412M31.6Very low31.5Very low171 Ų171149.3 Ų149.384%0.84282%0.822SS**  cis-163.3-1726.6-116.3-69.6-92.300108.6
413P35.1Very low31.4Very low98 Ų98151.3 Ų151.364%0.63682%0.822SS**  -115.4-176.4-126.545.4-33000115.8
414L33.4Very low31.6Very low166 Ų166150 Ų15087%0.86982%0.817SS**  trans-143.8128.9162.5-138.983.7000114.4
415V32.9Very low31.6Very low123 Ų123153.2 Ų153.275%0.74582%0.824SS**  trans59.298.5163.2-154.20000120.6
416S28.8Very low31.5Very low114 Ų114153.4 Ų153.480%0.79782%0.819SS**  trans-83.1150150.349.70000111.7
417N28.8Very low31.9Very low160 Ų160150 Ų15086%0.85681%0.813SS**  trans-148.473.2172.1-14930.5000113.3
418E28.2Very low32Very low188 Ų188150.6 Ų150.688%0.87981%0.806SS**  trans-144.1117.2165.1-80.2-159.412700111.3
419L30.5Very low32Very low161 Ų161155.6 Ų155.684%0.84381%0.811SS**  trans-171.297.5153.6-144.373.3000107.5
420I32.1Very low32Very low153 Ų153153.8 Ų153.879%0.78581%0.807SS**  45.9102.291.6-53.9177.1000114
421Q33.7Very low32Very low189 Ų189155.6 Ų155.688%0.88381%0.811SS**  trans-162.2102.5146.5-162.6166.287.800112.9
422Q33.1Very low31.9Very low196 Ų196154.3 Ų154.392%0.91681%0.812SS**  trans-164.293.5147-113.4176.12000111.9
423Q32.4Very low31.9Very low184 Ų184156.8 Ų156.886%0.8681%0.814SS**  trans-91.6163.6153-105.9-178.1-2100107.3
424S31.1Very low31.4Very low100 Ų100158.9 Ų158.970%0.69982%0.82SS**  cis-171.6153.14.142.60000108.8
425Q35.1Very low31.3Very low204 Ų204160.4 Ų160.495%0.95382%0.815SS**  trans-136151.3150-87.3-168.51.800111.1
426S28.7Very low31.4Very low101 Ų101162.3 Ų162.371%0.70682%0.816SS**  trans-109157.1-160.649.20000113.1
427Q32.8Very low31.6Very low166 Ų166162.2 Ų162.278%0.77681%0.811SS**  171.8155.6115.1-94.1179.43100114.2
428Q36.3Very low31.7Very low164 Ų164161.9 Ų161.977%0.76681%0.809SS**  trans67.6149.3163.9-67.4169.214.400119.2
429Q32.5Very low32.1Very low173 Ų173158.4 Ų158.481%0.80880%0.803SS**  cis-159.4163.2-41.2-148.1164.4-10.200108
430N29.2Very low32.4Very low150 Ų150157.8 Ų157.880%0.80281%0.805SS**  trans-40.1147.6174.4-67.1-17.5000113.6
431E34.3Very low32.4Very low187 Ų187160.7 Ų160.787%0.87481%0.813SS**  -157.7157.570.4-85.4179.7155.300113.9
432A29.6Very low32.4Very low92 Ų92155.3 Ų155.376%0.7681%0.808SS**  trans-118.3134.2178.300000111
433Y30.8Very low32.4Very low224 Ų224155.3 Ų155.388%0.87881%0.808SS**  trans-128.9135.5158.1-99.4-86.2000109.9
434N25.4Very low32.6Very low141 Ų141152.3 Ų152.375%0.75481%0.807SS**  trans-133120.4-171.11769.1000107.3
435Y32.2Very low32.6Very low199 Ų199154.2 Ų154.278%0.7881%0.814SS**  trans-152108.8162.1-94.2-62000113.5
436Q33.2Very low32.7Very low162 Ų162149 Ų14976%0.75780%0.801SS**  78.7132.1127.1-132.7156.3-26.800122.2
437T33.7Very low32.8Very low112 Ų112152.7 Ų152.769%0.68781%0.809SS**  trans-82.8140.9177.950.60000113.5
438N31.9Very low32.9Very low154 Ų154149.1 Ų149.182%0.82481%0.808SS**  176.8143.8111-95.4-16.7000112.9
439P36.5Very low32.6Very low115 Ų115147.7 Ų147.775%0.74781%0.81SS**  trans-107.5139.2175.437.4-29.2000113.5
440V35.6Very low32.8Very low148 Ų148147.5 Ų147.590%0.89781%0.811SS**  trans-146.6144.5159.2-177.50000110.5
441F32.8Very low33.3Very low213 Ų213146.7 Ų146.793%0.93481%0.811SS**  trans-52154.3173.5-95.3-117.5000115.7
442G34Very low33.2Very low76 Ų76142.7 Ų142.778%0.78481%0.811SS**  trans172.1112.8160.400000113.7
443E32Very low33.5Very low196 Ų196144 Ų14492%0.91682%0.815SS**  trans-76.4143.2174.6-61.8170.8114.400112
444S36.4Very low33.9Very low122 Ų122142.8 Ų142.885%0.85382%0.817SS**  trans-169.1133.8135.9460000112.5
445V32.1Very low34.3Very low139 Ų139141.6 Ų141.684%0.84282%0.819SS**  trans-87.6137.5169.7172.10000108.9
446S36Very low34.7Very low95 Ų95138 Ų13866%0.66482%0.821SS**  trans173.4117.6138.6-82.10000115.6
447M31.2Very low34.8Very low179 Ų179137.9 Ų137.988%0.88282%0.822SS**  trans55.7155.5133.1-68.2-171.8-78.800124.7
448A34.6Very low35.3Very low91 Ų91140.7 Ų140.775%0.75283%0.832SS**  trans86110175.200000115.3
449V31.7Very low35.5Very low134 Ų134140.4 Ų140.481%0.81283%0.827SS**  cis75.8137.248.2-176.70000112.8
450M36.4Very low35.8Very low169 Ų169141.6 Ų141.683%0.83383%0.832SS**  trans86.5134.9-170.8-54.2-156.2-67.100113.4
451T38.2Very low35.8Very low132 Ų132142.9 Ų142.981%0.8183%0.829SS**  cis-154.3157.36.8-1.20000110.8
452A32.1Very low36.2Very low104 Ų104138.2 Ų138.286%0.8682%0.823SS**  trans-78.1147.9173.900000112.5
453S37.3Very low36.5Very low120 Ų120143.3 Ų143.384%0.83983%0.828SS**  trans-129.4130.6166.260.80000110.8
454Q39.3Very low36.8Very low197 Ų197138.4 Ų138.492%0.92182%0.821SS**  trans-79.8158.2-172.2-64163-12.300112.7
455S33.2Very low37Very low116 Ų116139.1 Ų139.181%0.81182%0.823SS**  trans-92.4159.5167.247.30000111.8
456P40.6Very low37.1Very low125 Ų125139.4 Ų139.481%0.81282%0.82SS**  trans-117.3139.1157.734-23.6000112.5
457M35.7Very low37.3Very low158 Ų158146 Ų14678%0.77883%0.832SS**  trans-78.2156.2171.5-69.6169.156.800111.8M459M457-M459 HydrophobicContact CE-CE 3.95Å; M457-M459 HydrophobicContact CE-CG 4.44Å
458L43.8Very low37.7Very low171 Ų171140.7 Ų140.790%0.89582%0.822SS**  trans-132114.3163-116.6152.4000108.9
459M36.2Very low37.9Very low148 Ų148141.6 Ų141.673%0.72982%0.823SS**  trans-105.2139.9166.6-77.8-170.1-179.400109.2M457M457-M459 HydrophobicContact CE-CE 3.95Å; M457-M459 HydrophobicContact CE-CG 4.44Å
460T43.9Very low38.2Very low140 Ų140144 Ų14486%0.85983%0.826SS**  trans-135.6136.8155.635.40000109.5
461Q35.5Very low38.4Very low175 Ų175139.5 Ų139.582%0.81882%0.816SS**  trans-101.4152.6-171.8-53.7171.119.700111
462S41.3Very low38.4Very low115 Ų115139.9 Ų139.980%0.80481%0.813SS**  trans-157.388.615661.10000113.4
463M40.2Very low38.7Very low184 Ų184143.8 Ų143.891%0.90681%0.813SS**  trans32.7138.1140-53.9-172.6-177.300122.7
464A37.8Very low38.6Very low93 Ų93144.3 Ų144.377%0.76981%0.811SS**  trans-88.8-170.7170.300000112.8
465P40.4Very low38.5Very low137 Ų137139.7 Ų139.789%0.8981%0.806SS**  -146-178.292.939.6-22.9000116.3
466N34.5Very low38.5Very low144 Ų144142.6 Ų142.677%0.7781%0.807SS**  trans-111.9154-163.5-171.315.4000113.2
467Y39.7Very low38.1Very low235 Ų235141.2 Ų141.292%0.92280%0.801SS**  trans-157.3135.6165.3-95.1-86.7000106.2
468G40.4Very low38Very low66 Ų66140.4 Ų140.468%0.6880%0.799SS**  cis-174.7159.5-4.200000108.5
469S37.1Very low37.7Very low111 Ų111142.5 Ų142.578%0.77680%0.801SS**  trans-65.7148.6-179.248.10000112.6
470E38.8Very low37.8Very low183 Ų183140 Ų14086%0.85580%0.799SS**  176.9164.179.9-89.6-173.1-124.100109.3
471A39.7Very low37.3Very low76 Ų76140.8 Ų140.863%0.62880%0.798SS**  cis-164.6174.1-13.200000111.4
472N38.4Very low37.3Very low140 Ų140138.8 Ų138.875%0.74980%0.801SS**  trans-4.1128.4163.5-53.4-28.9000120.5
473H39Very low37.1Very low186 Ų186140.4 Ų140.486%0.86180%0.8SS**  -171.3153.592-110.2-82.9000114.3
474V34.7Very low37.2Very low131 Ų131141 Ų14179%0.79480%0.801SS**  trans-89.8136.7-178.6173.40000111.7
475A38.8Very low37.3Very low100 Ų100141.4 Ų141.483%0.82680%0.798SS**  trans-156.6134148.800000111.2
476Q32.7Very low37.9Very low176 Ų176141.9 Ų141.982%0.82280%0.798SS**  trans-91.9167.5177.2-67.7169.9-59.500112.2
477S32.4Very low38.3Very low97 Ų97141 Ų14168%0.67879%0.793SS**  trans95.9127.8143.979.90000120.1
478N33.2Very low38.5Very low140 Ų140137.7 Ų137.775%0.74979%0.786SS**  trans56.2111.5139.7-56.5-11.9000119.9
479F37.3Very low38.9Very low215 Ų215149.8 Ų149.894%0.94381%0.811SS**  trans-123.299.9146.6-95.6-83.4000111.1
480S37.7Very low39Very low96 Ų96151.8 Ų151.867%0.67181%0.813SS**  trans-112.1134.4162.1-58.20000107.8
481N33.2Very low39Very low157 Ų157150.1 Ų150.184%0.8481%0.81SS**  trans50.9120162.7-59.8-16.4000118.8
482C36.5Very low38.9Very low132 Ų132154.2 Ų154.289%0.89282%0.821SS**  trans-131.4121144.7-152.40000109.5
483L35.9Very low39Very low150 Ų150155.1 Ų155.179%0.78583%0.825SS**  trans-71.7151.4169.9-69.6102.3000109.8
484Q42.5Very low39Very low197 Ų197153.1 Ų153.192%0.92182%0.823SS**  trans-142.8111.6136.1-114.3176.119.900110.6
485S40.7Very low39.3Very low100 Ų100154.6 Ų154.670%0.69983%0.825SS**  trans-78.4138167.255.60000110.2
486V52.2Low39.3Very low148 Ų148158.5 Ų158.590%0.89782%0.824SS**  trans-122.6134151179.70000107.1
487N42.6Very low39.8Very low124 Ų124157.2 Ų157.266%0.66383%0.825SS**  trans-121.3155.9-165.6-155.32.3000109.8
488H44.8Very low40.4Very low167 Ų167162.2 Ų162.277%0.77384%0.837SS**  trans58.3100.6172.6-61.6-69.9000118.8
489R48.3Very low41.1Very low320 Ų320164.2 Ų164.2100%1.20885%0.845SS**  -155.2089.6-146178-159.6-176.56.6112

Retrieved 489 of 489 residues in 157.2 ms (Link to these results)