A0A5K4F897_SCHMA Loading...

MAM domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F897, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 921 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
1M67.8Low81.2Confident199 Ų199125.4 Ų125.498%0.9864%0.639SS**  0-79.80-92.8178.6167.300113.2I3 V4 C5M1-I3 VanDerWaalsContact C-N 3.34Å; M1-I3 PolarHBondContact O-N 3Å; M1-V4 WeakPolarHBondContact O-CA 3.28Å; M1-V4 WeakPolarHBondContact O-CB 3.39Å; M1-V4 PolarHBondContact O-N 3.46Å; M1-C5 PolarHBondContact O-N 3.33Å; M1-C5 VanDerWaalsContact O-N 3.1Å
2K78.1Confident81Confident195 Ų195121.3 Ų121.385%0.84863%0.625SS**Hα-helixtrans-42.9-49.5-169.3-67.4-172.7177.5-176.40115.5V4 C5 S6K2-V4 PolarHBondContact O-N 2.86Å; K2-C5 PolarHBondContact O-N 2.77Å; K2-S6 PolarHBondContact O-N 3.08Å
3I82.1Confident80.7Confident132 Ų132118.9 Ų118.968%0.67761%0.613SS**Hα-helixtrans-59.8-44.6177.4-62.9170.8000112.3M1 C5 S6 I7M1-I3 VanDerWaalsContact C-N 3.34Å; M1-I3 PolarHBondContact O-N 3Å; I3-C5 PolarHBondContact O-N 3.01Å; I3-S6 WeakPolarHBondContact O-CB 3.42Å; I3-S6 PolarHBondContact O-N 3.44Å; I3-S6 VanDerWaalsContact O-N 3.13Å; I3-I7 HydrophobicContact CG2-CD1 3.93Å; I3-I7 WeakPolarHBondContact O-CG1 3.3Å; I3-I7 PolarHBondContact O-N 3.08Å
4V84.2Confident80.2Confident89 Ų89115.1 Ų115.154%0.53960%0.602SS.*Hα-helixtrans-64.2-40.4179-177.30000111.1M1 K2 S6 I7 L8M1-V4 WeakPolarHBondContact O-CA 3.28Å; M1-V4 WeakPolarHBondContact O-CB 3.39Å; M1-V4 PolarHBondContact O-N 3.46Å; K2-V4 PolarHBondContact O-N 2.86Å; V4-S6 VanDerWaalsContact C-N 3.32Å; V4-S6 PolarHBondContact O-N 3.4Å; V4-I7 PolarHBondContact O-N 2.85Å; V4-L8 HydrophobicContact CG1-CD1 4.32Å; V4-L8 WeakPolarHBondContact O-CB 3.44Å; V4-L8 PolarHBondContact O-N 2.88Å
5C81.5Confident79.4Confident79 Ų79112 Ų11253%0.53459%0.589SS.*Hα-helixtrans-63.2-39.5173.2-580000111.5M1 K2 I3 L8 F9M1-C5 PolarHBondContact O-N 3.33Å; M1-C5 VanDerWaalsContact O-N 3.1Å; K2-C5 PolarHBondContact O-N 2.77Å; I3-C5 PolarHBondContact O-N 3.01Å; C5-L8 PolarHBondContact O-N 3.43Å; C5-F9 WeakPolarHBondContact O-CB 3.36Å; C5-F9 PolarHBondContact O-N 3.32Å
6S82.5Confident78.3Confident70 Ų70113.6 Ų113.649%0.4959%0.59SS.*Hα-helixtrans-64.9-41.4177.8-1580000112.3K2 I3 V4 F9 L10K2-S6 PolarHBondContact O-N 3.08Å; I3-S6 WeakPolarHBondContact O-CB 3.42Å; I3-S6 PolarHBondContact O-N 3.44Å; I3-S6 VanDerWaalsContact O-N 3.13Å; V4-S6 VanDerWaalsContact C-N 3.32Å; V4-S6 PolarHBondContact O-N 3.4Å; S6-F9 PolarHBondContact O-N 3.03Å; S6-L10 WeakPolarHBondContact O-CG 3.34Å; S6-L10 PolarHBondContact O-N 3.16Å
7I86.3Confident76.9Confident106 Ų106110.4 Ų110.454%0.54458%0.584SS.*Hα-helixtrans-66.2-45.6176.9-66.6165.8000110.3I3 V4 F9 L10 F11I3-I7 HydrophobicContact CG2-CD1 3.93Å; I3-I7 WeakPolarHBondContact O-CG1 3.3Å; I3-I7 PolarHBondContact O-N 3.08Å; V4-I7 PolarHBondContact O-N 2.85Å; I7-F9 VanDerWaalsContact C-N 3.31Å; I7-F9 PolarHBondContact O-N 3.12Å; I7-L10 PolarHBondContact O-N 3.34Å; I7-F11 PolarHBondContact O-N 2.77Å
8L83.1Confident75.7Confident108 Ų108109.4 Ų109.457%0.56558%0.578SS**Hα-helixtrans-59.5-39.9174.5-90.3161.2000112.5V4 C5 F11 V12V4-L8 HydrophobicContact CG1-CD1 4.32Å; V4-L8 WeakPolarHBondContact O-CB 3.44Å; V4-L8 PolarHBondContact O-N 2.88Å; C5-L8 PolarHBondContact O-N 3.43Å; L8-F11 PolarHBondContact O-N 2.96Å; L8-V12 WeakPolarHBondContact O-CG2 3.49Å; L8-V12 PolarHBondContact O-N 3.04Å
9F83.9Confident74.4Confident142 Ų142110.2 Ų110.262%0.62358%0.578SS**Hα-helixtrans-67.3-42.1179-157.4-98.3000111.9C5 S6 I7 F11 V12 L13C5-F9 WeakPolarHBondContact O-CB 3.36Å; C5-F9 PolarHBondContact O-N 3.32Å; S6-F9 PolarHBondContact O-N 3.03Å; I7-F9 VanDerWaalsContact C-N 3.31Å; I7-F9 PolarHBondContact O-N 3.12Å; F9-F11 VanDerWaalsContact C-N 3.34Å; F9-F11 PolarHBondContact O-N 3.26Å; F9-V12 PolarHBondContact O-N 3.15Å; F9-L13 HydrophobicContact CD1-CD1 3.71Å; F9-L13 HydrophobicContact CD1-CG 4.18Å; F9-L13 HydrophobicContact CE1-CD1 3.77Å; F9-L13 HydrophobicContact CE1-CG 4.18Å; F9-L13 WeakPolarHBondContact O-CB 3.37Å; F9-L13 WeakPolarHBondContact O-CG 3.48Å; F9-L13 PolarHBondContact O-N 3.4Å
10L83.5Confident73.2Confident111 Ų111110.4 Ų110.458%0.58158%0.584SS**Hα-helixtrans-62.4-39.3172.7-71.8170.3000112.1S6 I7 L13 S14S6-L10 WeakPolarHBondContact O-CG 3.34Å; S6-L10 PolarHBondContact O-N 3.16Å; I7-L10 PolarHBondContact O-N 3.34Å; L10-L13 PolarHBondContact O-N 3.44Å; L10-S14 WeakPolarHBondContact O-CB 3.35Å; L10-S14 PolarHBondContact O-N 3.45Å
11F80.6Confident72Confident148 Ų148110.7 Ų110.765%0.64959%0.59SS**Hα-helixtrans-66.2-42.3176.9-152.3-88.3000111.9I7 L8 F9 S14 V15I7-F11 PolarHBondContact O-N 2.77Å; L8-F11 PolarHBondContact O-N 2.96Å; F9-F11 VanDerWaalsContact C-N 3.34Å; F9-F11 PolarHBondContact O-N 3.26Å; F11-S14 PolarHBondContact O-N 3.03Å; F11-V15 HydrophobicContact CD1-CG2 4.15Å; F11-V15 HydrophobicContact CE1-CG2 4.13Å; F11-V15 WeakPolarHBondContact O-CG2 3.29Å; F11-V15 PolarHBondContact O-N 3.14Å
12V78.8Confident71.1Confident77 Ų77107 Ų10747%0.46757%0.57SS.*Hα-helixtrans-66.4-36.7175.2170.50000112L8 F9 K16L8-V12 WeakPolarHBondContact O-CG2 3.49Å; L8-V12 PolarHBondContact O-N 3.04Å; F9-V12 PolarHBondContact O-N 3.15Å; V12-K16 WeakPolarHBondContact O-CB 3.34Å; V12-K16 WeakPolarHBondContact O-CG 3.44Å; V12-K16 PolarHBondContact O-N 3.44Å
13L76.8Confident69.4Low90 Ų90102 Ų10247%0.47156%0.56SS.*Hα-helixtrans-65.9-42.3172.7-74.2173.4000111.8F9 L10 K16 A17F9-L13 HydrophobicContact CD1-CD1 3.71Å; F9-L13 HydrophobicContact CD1-CG 4.18Å; F9-L13 HydrophobicContact CE1-CD1 3.77Å; F9-L13 HydrophobicContact CE1-CG 4.18Å; F9-L13 WeakPolarHBondContact O-CB 3.37Å; F9-L13 WeakPolarHBondContact O-CG 3.48Å; F9-L13 PolarHBondContact O-N 3.4Å; L10-L13 PolarHBondContact O-N 3.44Å; L13-K16 PolarHBondContact O-N 2.84Å; L13-A17 WeakPolarHBondContact O-CB 3.35Å; L13-A17 PolarHBondContact O-N 3.24Å
14S73.1Confident67.8Low66 Ų66104.2 Ų104.246%0.46257%0.57SS.*Hα-helixtrans-60-49175.8176.80000111.9L10 F11 K16 A17 I18L10-S14 WeakPolarHBondContact O-CB 3.35Å; L10-S14 PolarHBondContact O-N 3.45Å; F11-S14 PolarHBondContact O-N 3.03Å; S14-K16 VanDerWaalsContact C-N 3.33Å; S14-K16 PolarHBondContact O-N 3.03Å; S14-A17 PolarHBondContact O-N 3.39Å; S14-I18 WeakPolarHBondContact O-CG1 3.47Å; S14-I18 PolarHBondContact O-N 2.79Å; S14-I18 VanDerWaalsContact O-N 3.14Å
15V68.7Low65.7Low68 Ų68106.4 Ų106.441%0.41258%0.579SS.*Hα-helixtrans-62.8-38.8177.6173.90000111.6F11 I18 Q19F11-V15 HydrophobicContact CD1-CG2 4.15Å; F11-V15 HydrophobicContact CE1-CG2 4.13Å; F11-V15 WeakPolarHBondContact O-CG2 3.29Å; F11-V15 PolarHBondContact O-N 3.14Å; V15-I18 PolarHBondContact O-N 3.46Å; V15-Q19 WeakPolarHBondContact O-CG 3.24Å; V15-Q19 PolarHBondContact O-N 3.43Å; V15-Q19 VanDerWaalsContact O-N 3.15Å
16K61.8Low63.9Low138 Ų138112.2 Ų112.260%0.659%0.591SS**Hα-helixtrans-71-35.4176.2-77.8-170.4172-168.70113.7V12 L13 S14 I18 Q19 V20V12-K16 WeakPolarHBondContact O-CB 3.34Å; V12-K16 WeakPolarHBondContact O-CG 3.44Å; V12-K16 PolarHBondContact O-N 3.44Å; L13-K16 PolarHBondContact O-N 2.84Å; S14-K16 VanDerWaalsContact C-N 3.33Å; S14-K16 PolarHBondContact O-N 3.03Å; K16-I18 VanDerWaalsContact C-N 3.29Å; K16-I18 PolarHBondContact O-N 2.93Å; K16-Q19 PolarHBondContact O-N 3.26Å; K16-V20 WeakPolarHBondContact O-CB 3.21Å; K16-V20 VanDerWaalsContact O-CG2 3.28Å; K16-V20 WeakPolarHBondContact O-CG2 3.35Å; K16-V20 PolarHBondContact O-N 3.43Å
17A54.6Low61.7Low59 Ų59114.9 Ų114.949%0.48861%0.609SS.*Hα-helixtrans-63.1-38.817500000111.3L13 S14 T21L13-A17 WeakPolarHBondContact O-CB 3.35Å; L13-A17 PolarHBondContact O-N 3.24Å; S14-A17 PolarHBondContact O-N 3.39Å; A17-T21 PolarHBondContact O-N 3.17Å; A17-T21 PolarHBondContact O-OG1 3.32Å
18I54.8Low59.8Low93 Ų93112.8 Ų112.848%0.47760%0.604SS.*Hα-helixtrans-61.1-55.9173.7-66163.3000109.9S14 V15 K16 V20 T21 E22S14-I18 WeakPolarHBondContact O-CG1 3.47Å; S14-I18 PolarHBondContact O-N 2.79Å; S14-I18 VanDerWaalsContact O-N 3.14Å; V15-I18 PolarHBondContact O-N 3.46Å; K16-I18 VanDerWaalsContact C-N 3.29Å; K16-I18 PolarHBondContact O-N 2.93Å; I18-V20 VanDerWaalsContact C-N 3.33Å; I18-V20 PolarHBondContact O-N 3.37Å; I18-T21 WeakPolarHBondContact O-CB 3.39Å; I18-T21 PolarHBondContact O-N 3.38Å; I18-E22 PolarHBondContact O-N 2.91Å
19Q51.5Low58.2Low124 Ų124114.5 Ų114.558%0.57961%0.609SS**Hα-helixtrans-66.7-26.6-176-63.4-138.2-77.100115.1V15 K16 T21 E22V15-Q19 WeakPolarHBondContact O-CG 3.24Å; V15-Q19 PolarHBondContact O-N 3.43Å; V15-Q19 VanDerWaalsContact O-N 3.15Å; K16-Q19 PolarHBondContact O-N 3.26Å; Q19-T21 VanDerWaalsContact C-N 3.25Å; Q19-T21 PolarHBondContact O-N 2.85Å; Q19-E22 PolarHBondContact O-N 2.84Å
20V49.8Very low56.7Low113 Ų113113.1 Ų113.169%0.68562%0.617SS**Hα-helixtrans-74.7-17.7174.1171.20000112K16 I18K16-V20 WeakPolarHBondContact O-CB 3.21Å; K16-V20 VanDerWaalsContact O-CG2 3.28Å; K16-V20 WeakPolarHBondContact O-CG2 3.35Å; K16-V20 PolarHBondContact O-N 3.43Å; I18-V20 VanDerWaalsContact C-N 3.33Å; I18-V20 PolarHBondContact O-N 3.37Å
21T48.6Very low55.4Low118 Ų118112.4 Ų112.472%0.72461%0.614SS**Hα-helixtrans-82.3-21172.3-45.70000111.7A17 I18 Q19A17-T21 PolarHBondContact O-N 3.17Å; A17-T21 PolarHBondContact O-OG1 3.32Å; I18-T21 WeakPolarHBondContact O-CB 3.39Å; I18-T21 PolarHBondContact O-N 3.38Å; Q19-T21 VanDerWaalsContact C-N 3.25Å; Q19-T21 PolarHBondContact O-N 2.85Å
22E49.5Very low54.8Low121 Ų121108.5 Ų108.557%0.56560%0.598SS**SBendtrans-89.7-9.4-178.8-64.6176139.700113.7I18 Q19 M24I18-E22 PolarHBondContact O-N 2.91Å; Q19-E22 PolarHBondContact O-N 2.84Å; E22-M24 PolarHBondContact O-N 3.46Å
23S42.9Very low54.8Low91 Ų91108.6 Ų108.664%0.63660%0.596SS**  trans-99.439.7-171.377.40000114.6
24M47Very low55.3Low178 Ų178104.5 Ų104.588%0.87758%0.575SS**  trans-124.742.4176.6-142.9168.2-173.900112.1E22 Y26E22-M24 PolarHBondContact O-N 3.46Å; M24-Y26 VanDerWaalsContact C-N 3.33Å; M24-Y26 PolarHBondContact O-N 2.86Å
25D39.9Very low56.2Low135 Ų135106 Ų10672%0.72258%0.575SS**  trans-60.487.6171.5-70.8-29.7000111.1
26Y43.4Very low57.3Low201 Ų201103 Ų10379%0.78856%0.556SS**  trans-81113.7164.9-163.4-86.7000108.4M24 S28M24-Y26 VanDerWaalsContact C-N 3.33Å; M24-Y26 PolarHBondContact O-N 2.86Å; Y26-S28 VanDerWaalsContact C-N 3.3Å; Y26-S28 PolarHBondContact O-N 3.19Å
27S38Very low58.7Low125 Ų125100.9 Ų100.987%0.87455%0.549SS*.SBendtrans-69.470.7-167-53.30000115
28S46.5Very low60.3Low62 Ų6298.1 Ų98.143%0.43453%0.526SS..  trans-153.931.6173.866.60000113.1Y26 S30Y26-S28 VanDerWaalsContact C-N 3.3Å; Y26-S28 PolarHBondContact O-N 3.19Å; S28-S30 PolarHBondContact O-N 3.29Å; S28-S30 VanDerWaalsContact O-N 3.08Å
29E48Very low61.7Low144 Ų14498.7 Ų98.767%0.67353%0.525SS*.THydrogen-bonded Turntrans-71.3-1.3-169.5-169.5149.2-112.800115.5K111E29-K111 IonicContact OE1-NZ 2.6Å; E29-K111 PolarHBondContact OE1-NZ 3.13Å
30S52.1Low63.1Low113 Ų113101.4 Ų101.479%0.7954%0.537SS*.THydrogen-bonded Turntrans-91.7-10.1-17256.60000116.7S28S28-S30 PolarHBondContact O-N 3.29Å; S28-S30 VanDerWaalsContact O-N 3.08Å
31D57.2Low64.8Low96 Ų9699 Ų9951%0.51353%0.526SS..SBendtrans-122.4-5.4-157.4-150.342000116.9N33 N44 P105D31-N33 VanDerWaalsContact C-N 3.33Å; D31-N33 PolarHBondContact O-N 3.35Å; D31-N44 PolarHBondContact O-ND2 3.18Å; D31-N44 PolarHBondContact OD1-ND2 3.29Å; D31-P105 WeakPolarHBondContact O-CB 3.44Å
32M67.1Low66.7Low66 Ų6695.6 Ų95.633%0.32550%0.502SS..  trans-87.714.6-178.8-73.2-167.7-76.800114.7L34 K111M32-L34 PolarHBondContact O-N 3.34Å; M32-K111 HydrophobicContact CE-CB 4.04Å; M32-K111 HydrophobicContact CE-CD 3.79Å; M32-K111 HydrophobicContact CE-CG 4.18Å; M32-K111 HydrophobicContact SD-CB 4.5Å
33N80.2Confident68.7Low80 Ų8092.4 Ų92.443%0.42849%0.493SS..  trans-74.9117.1178.9-163.83.3000111.6D31 E35D31-N33 VanDerWaalsContact C-N 3.33Å; D31-N33 PolarHBondContact O-N 3.35Å; N33-E35 VanDerWaalsContact OD1-CB 3.26Å; N33-E35 WeakPolarHBondContact OD1-CB 3.36Å; N33-E35 VanDerWaalsContact OD1-CG 3.27Å; N33-E35 WeakPolarHBondContact OD1-CG 3.44Å; N33-E35 PolarHBondContact OD1-N 2.88Å
34L87.7Confident70.9Confident3 Ų391.3 Ų91.32%0.01648%0.479CS..  trans-84.9-20.4173.6-67.1172.1000113M32 C36 W45 P105 I107 P113M32-L34 PolarHBondContact O-N 3.34Å; L34-C36 PolarHBondContact O-N 2.88Å; L34-W45 HydrophobicContact CD2-CZ2 4.28Å; L34-W45 PolarHBondContact O-NE1 3.45Å; L34-P105 HydrophobicContact CD2-CG 3.95Å; L34-I107 HydrophobicContact CD1-CD1 3.71Å; L34-I107 HydrophobicContact CD1-CG1 3.98Å; L34-I107 HydrophobicContact CD2-CD1 3.86Å; L34-I107 HydrophobicContact CD2-CG1 3.82Å; L34-I107 HydrophobicContact CG-CD1 4.34Å; L34-I107 HydrophobicContact CG-CG1 4.25Å; L34-P113 HydrophobicContact CD1-CG 3.56Å
35E91Very high73.1Confident99 Ų9983.2 Ų83.246%0.46344%0.439SS..  trans-62.1128.1-175.2-60177.415700110.8N33 I241N33-E35 VanDerWaalsContact OD1-CB 3.26Å; N33-E35 WeakPolarHBondContact OD1-CB 3.36Å; N33-E35 VanDerWaalsContact OD1-CG 3.27Å; N33-E35 WeakPolarHBondContact OD1-CG 3.44Å; N33-E35 PolarHBondContact OD1-N 2.88Å; E35-I241 CarbonylContact C-O 3.53Å; E35-I241 VanDerWaalsContact CA-O 3.26Å; E35-I241 WeakPolarHBondContact CA-O 3.32Å
36C92.2Very high75.6Confident3 Ų378.3 Ų78.32%0.0242%0.42CS..BIsolated β-bridgetrans-153.9119.7176.8-161.50000113.2L34 F38 C43 N240 I241L34-C36 PolarHBondContact O-N 2.88Å; C36-F38 HydrophobicContact CB-CE1 4.27Å; C36-F38 HydrophobicContact CB-CE2 4.35Å; C36-F38 HydrophobicContact CB-CZ 4.13Å; C36-F38 VanDerWaalsContact SG-CD1 3.51Å; C36-F38 VanDerWaalsContact SG-CE1 3.54Å; C36-C43 WeakPolarHBondContact CA-SG 3.16Å; C36-C43 HydrophobicContact CB-CB 3.72Å; C36-C43 WeakPolarHBondContact CB-SG 3.42Å; C36-C43 WeakPolarHBondContact SG-CB 3.47Å; C36-C43 CovalentContact SG-SG 2.04Å; C36-C43 PolarHBondContact SG-SG 3.04Å; C36-N240 WeakPolarHBondContact O-CA 3.37Å; C36-N240 PolarHBondContact O-N 3.41Å; C36-I241 PolarHBondContact N-O 3.2Å; C36-I241 PolarHBondContact O-N 2.96Å
37E90.4Very high78Confident95 Ų9570.6 Ų70.644%0.44439%0.393SS..  trans-94.76.9173.6-56.9172.1101.700112.6K39E37-K39 HydrophobicContact CB-CD 4.19Å; E37-K39 HydrophobicContact CB-CG 4.01Å; E37-K39 VanDerWaalsContact CD-CE 3.44Å; E37-K39 PolarHBondContact O-N 2.82Å; E37-K39 VanDerWaalsContact OE1-CE 3.3Å; E37-K39 WeakPolarHBondContact OE1-CE 3.35Å; E37-K39 IonicContact OE1-NZ 2.67Å; E37-K39 PolarHBondContact OE1-NZ 3.31Å; E37-K39 VanDerWaalsContact OE2-CE 3.26Å; E37-K39 WeakPolarHBondContact OE2-CE 3.08Å; E37-K39 IonicContact OE2-NZ 2.65Å; E37-K39 PolarHBondContact OE2-NZ 2.82Å
38F89.3Confident80.5Confident1 Ų165 Ų650%0.00435%0.353CS..  trans47.726.2179-60.9-69.7000116.3C36 E40 L58 I81 L102 V238 I241C36-F38 HydrophobicContact CB-CE1 4.27Å; C36-F38 HydrophobicContact CB-CE2 4.35Å; C36-F38 HydrophobicContact CB-CZ 4.13Å; C36-F38 VanDerWaalsContact SG-CD1 3.51Å; C36-F38 VanDerWaalsContact SG-CE1 3.54Å; F38-E40 PolarHBondContact O-N 3.38Å; F38-L58 HydrophobicContact CB-CD2 3.94Å; F38-L58 HydrophobicContact CD1-CD2 3.89Å; F38-L58 HydrophobicContact CG-CD2 4.35Å; F38-I81 HydrophobicContact CD1-CB 3.73Å; F38-I81 HydrophobicContact CD1-CD1 4.34Å; F38-I81 HydrophobicContact CD1-CG1 4.47Å; F38-I81 HydrophobicContact CD1-CG2 4.02Å; F38-I81 HydrophobicContact CD2-CB 4.22Å; F38-I81 HydrophobicContact CD2-CG2 3.99Å; F38-I81 HydrophobicContact CE1-CB 3.92Å; F38-I81 HydrophobicContact CE1-CD1 4.06Å; F38-I81 HydrophobicContact CE1-CG2 3.75Å; F38-I81 HydrophobicContact CE2-CB 4.38Å; F38-I81 HydrophobicContact CE2-CG2 3.71Å; F38-I81 HydrophobicContact CG-CB 3.89Å; F38-I81 HydrophobicContact CG-CG2 4.13Å; F38-I81 HydrophobicContact CZ-CB 4.25Å; F38-I81 HydrophobicContact CZ-CG2 3.59Å; F38-L102 HydrophobicContact CE1-CD2 4.4Å; F38-L102 HydrophobicContact CZ-CD2 4.26Å; F38-V238 HydrophobicContact CE2-CG1 4.38Å; F38-I241 HydrophobicContact CE2-CD1 3.74Å; F38-I241 HydrophobicContact CE2-CG1 4.01Å; F38-I241 HydrophobicContact CZ-CD1 3.68Å; F38-I241 HydrophobicContact CZ-CG1 4.42Å
39K84Confident82.3Confident105 Ų10566.7 Ų66.746%0.45736%0.363SS..SBendtrans-61.4-47.5-170.7-78.6173.7178.5160.30113.6E37 N79E37-K39 HydrophobicContact CB-CD 4.19Å; E37-K39 HydrophobicContact CB-CG 4.01Å; E37-K39 VanDerWaalsContact CD-CE 3.44Å; E37-K39 PolarHBondContact O-N 2.82Å; E37-K39 VanDerWaalsContact OE1-CE 3.3Å; E37-K39 WeakPolarHBondContact OE1-CE 3.35Å; E37-K39 IonicContact OE1-NZ 2.67Å; E37-K39 PolarHBondContact OE1-NZ 3.31Å; E37-K39 VanDerWaalsContact OE2-CE 3.26Å; E37-K39 WeakPolarHBondContact OE2-CE 3.08Å; E37-K39 IonicContact OE2-NZ 2.65Å; E37-K39 PolarHBondContact OE2-NZ 2.82Å; K39-N79 PolarHBondContact O-ND2 2.83Å
40E79.6Confident84.1Confident180 Ų18065.7 Ų65.784%0.84136%0.362SS*.SBendtrans-137.2-19.8-176.2-62.9-176.8178.600113.1F38F38-E40 PolarHBondContact O-N 3.38Å
41S86.3Confident85.4Confident64 Ų6461.6 Ų61.645%0.44833%0.331SS..SBendtrans-139.8173.1-178.873.50000110.6C43S41-C43 PolarHBondContact O-N 3.28Å; S41-C43 PolarHBondContact OG-N 2.92Å; S41-C43 VanDerWaalsContact OG-N 3.12Å
42M88.5Confident85.8Confident45 Ų4566.9 Ų66.922%0.22234%0.344CS..  trans-82.112.3170.2-59.8-179.8-178.500112.3N44 W45 W56 L58 I81 L102M42-N44 PolarHBondContact O-N 3.47Å; M42-W45 VanDerWaalsContact CB-O 3.23Å; M42-W45 WeakPolarHBondContact CB-O 3.38Å; M42-W45 WeakPolarHBondContact O-CA 3.39Å; M42-W45 VanDerWaalsContact O-CB 3.27Å; M42-W45 WeakPolarHBondContact O-CB 3.44Å; M42-W45 PolarHBondContact O-N 2.89Å; M42-W56 VanDerWaalsContact CE-O 3.32Å; M42-W56 WeakPolarHBondContact CE-O 3.26Å; M42-L58 HydrophobicContact CE-CG 4.01Å; M42-L58 HydrophobicContact CG-CD1 4.06Å; M42-L58 HydrophobicContact CG-CD2 3.86Å; M42-L58 HydrophobicContact CG-CG 3.9Å; M42-I81 HydrophobicContact CE-CD1 3.94Å; M42-I81 HydrophobicContact CE-CG1 4.5Å; M42-I81 HydrophobicContact CG-CD1 3.93Å; M42-I81 HydrophobicContact SD-CD1 3.9Å; M42-L102 HydrophobicContact SD-CD1 4.41Å
43C90.5Very high86.1Confident55 Ų5568.1 Ų68.137%0.37236%0.357SS..THydrogen-bonded Turntrans51.6-132.1-169-440000109.9C36 S41 W45C36-C43 WeakPolarHBondContact CA-SG 3.16Å; C36-C43 HydrophobicContact CB-CB 3.72Å; C36-C43 WeakPolarHBondContact CB-SG 3.42Å; C36-C43 WeakPolarHBondContact SG-CB 3.47Å; C36-C43 CovalentContact SG-SG 2.04Å; C36-C43 PolarHBondContact SG-SG 3.04Å; S41-C43 PolarHBondContact O-N 3.28Å; S41-C43 PolarHBondContact OG-N 2.92Å; S41-C43 VanDerWaalsContact OG-N 3.12Å; C43-W45 VanDerWaalsContact C-N 3.31Å
44N90.3Very high86.1Confident67 Ų6765.4 Ų65.436%0.35834%0.343SS..THydrogen-bonded Turntrans-87.47.4173.4-74.212000113.8D31 M42 P105D31-N44 PolarHBondContact O-ND2 3.18Å; D31-N44 PolarHBondContact OD1-ND2 3.29Å; M42-N44 PolarHBondContact O-N 3.47Å; N44-P105 HydrophobicContact CB-CB 4.04Å; N44-P105 HydrophobicContact CB-CG 3.89Å; N44-P105 WeakPolarHBondContact O-CD 3.47Å
45W93Very high86.2Confident9 Ų967.5 Ų67.53%0.03435%0.354CS..  trans-83.6136.8177.3-64.776.6000111.3L34 M42 C43 L102 F103 L221 L223 I241L34-W45 HydrophobicContact CD2-CZ2 4.28Å; L34-W45 PolarHBondContact O-NE1 3.45Å; M42-W45 VanDerWaalsContact CB-O 3.23Å; M42-W45 WeakPolarHBondContact CB-O 3.38Å; M42-W45 WeakPolarHBondContact O-CA 3.39Å; M42-W45 VanDerWaalsContact O-CB 3.27Å; M42-W45 WeakPolarHBondContact O-CB 3.44Å; M42-W45 PolarHBondContact O-N 2.89Å; C43-W45 VanDerWaalsContact C-N 3.31Å; W45-L102 HydrophobicContact CB-CD1 4.36Å; W45-L102 HydrophobicContact CB-CD2 3.92Å; W45-L102 HydrophobicContact CB-CG 4.03Å; W45-L102 HydrophobicContact CD2-CD2 4.27Å; W45-L102 HydrophobicContact CE3-CD2 3.87Å; W45-L102 HydrophobicContact CE3-CG 4.06Å; W45-L102 HydrophobicContact CG-CD2 4.32Å; W45-F103 CarbonylContact C-O 3.6Å; W45-F103 VanDerWaalsContact CA-O 3.23Å; W45-F103 WeakPolarHBondContact CA-O 3.44Å; W45-F103 VanDerWaalsContact CE3-C 3.47Å; W45-L221 HydrophobicContact CH2-CB 4.23Å; W45-L223 HydrophobicContact CE3-CD1 4.48Å; W45-L223 HydrophobicContact CH2-CD1 4.4Å; W45-L223 HydrophobicContact CZ3-CD1 4.01Å; W45-L223 HydrophobicContact CZ3-CG 4.22Å; W45-I241 HydrophobicContact CD2-CD1 4.29Å; W45-I241 HydrophobicContact CH2-CD1 4.17Å; W45-I241 HydrophobicContact CZ2-CD1 3.75Å; W45-I241 HydrophobicContact CZ2-CG2 3.94Å
46G92.4Very high86.2Confident31 Ų3163 Ų6332%0.3233%0.333SS..EExtended strand (participates in β ladder)trans-125.9139.7-176.500000112.8L102 F103G46-L102 CarbonylContact O-C 3.55Å; G46-L102 WeakPolarHBondContact O-CA 3.37Å; G46-F103 PolarHBondContact N-O 3.44Å; G46-F103 PolarHBondContact O-N 3.14Å
47N92.8Very high86.1Confident40 Ų4068.4 Ų68.421%0.21435%0.353CS..EExtended strand (participates in β ladder)trans-64.2145.7169.9-86.8-81.1000111P49 N55 W56N47-P49 WeakPolarHBondContact O-CD 3.48Å; N47-N55 HydrophobicContact CB-CB 4.41Å; N47-N55 WeakPolarHBondContact OD1-CA 3.44Å; N47-N55 WeakPolarHBondContact OD1-CB 3.26Å; N47-W56 PolarHBondContact ND2-O 3.26Å; N47-W56 WeakPolarHBondContact OD1-CB 3.38Å; N47-W56 PolarHBondContact OD1-N 3.39Å
48D90.7Very high86.1Confident7 Ų766.7 Ų66.74%0.03735%0.347CS..  trans-67.6117.9171.4-171.5-24000110N50 N51 R101 F103D48-N50 PolarHBondContact O-N 3.37Å; D48-N50 VanDerWaalsContact OD1-CB 3.32Å; D48-N50 WeakPolarHBondContact OD1-CB 3.41Å; D48-N50 PolarHBondContact OD1-N 3.45Å; D48-N50 PolarHBondContact OD1-ND2 3.4Å; D48-N51 HydrophobicContact CB-CB 4.38Å; D48-N51 VanDerWaalsContact CB-OD1 3.27Å; D48-N51 WeakPolarHBondContact CB-OD1 3.31Å; D48-N51 PolarHBondContact O-N 2.82Å; D48-N51 VanDerWaalsContact O-N 3.13Å; D48-N51 PolarHBondContact OD2-OD1 3.23Å; D48-R101 HydrophobicContact CB-CB 3.59Å; D48-R101 PolarHBondContact N-O 2.73Å; D48-R101 WeakPolarHBondContact OD2-CD 3.42Å; D48-F103 HydrophobicContact CB-CD2 4.07Å; D48-F103 HydrophobicContact CB-CE2 3.47Å; D48-F103 VanDerWaalsContact CB-CE2 3.47Å; D48-F103 HydrophobicContact CB-CZ 4.25Å; D48-F103 WeakPolarHBondContact OD2-CE2 3.41Å; D48-F103 WeakPolarHBondContact OD2-CZ 3.29Å
49P85.9Confident85.8Confident98 Ų9869.1 Ų69.164%0.63636%0.36SS*.THydrogen-bonded Turntrans-64.3-13-178.327.8-35.9000113.4N47N47-P49 WeakPolarHBondContact O-CD 3.48Å
50N84.9Confident85Confident123 Ų12367 Ų6766%0.65836%0.362SS*.THydrogen-bonded Turntrans-87-13.7178.9-53.6-79.5000113.2D48 W52D48-N50 PolarHBondContact O-N 3.37Å; D48-N50 VanDerWaalsContact OD1-CB 3.32Å; D48-N50 WeakPolarHBondContact OD1-CB 3.41Å; D48-N50 PolarHBondContact OD1-N 3.45Å; D48-N50 PolarHBondContact OD1-ND2 3.4Å; N50-W52 PolarHBondContact O-N 2.94Å
51N79.4Confident84.2Confident26 Ų2661.6 Ų61.614%0.13934%0.337CS..SBendtrans-84.516.4-174.7-77.368000114.4D48 V54 T99 A100D48-N51 HydrophobicContact CB-CB 4.38Å; D48-N51 VanDerWaalsContact CB-OD1 3.27Å; D48-N51 WeakPolarHBondContact CB-OD1 3.31Å; D48-N51 PolarHBondContact O-N 2.82Å; D48-N51 VanDerWaalsContact O-N 3.13Å; D48-N51 PolarHBondContact OD2-OD1 3.23Å; N51-V54 CarbonylContact O-C 3.55Å; N51-V54 PolarHBondContact O-N 2.96Å; N51-T99 PolarHBondContact ND2-O 3.11Å; N51-A100 WeakPolarHBondContact ND2-CA 3.34Å
52W66.1Low82.3Confident208 Ų20862.8 Ų62.879%0.78835%0.345SS*.THydrogen-bonded Turntrans-57.7129.6175.8-175-94.2000111.3N50N50-W52 PolarHBondContact O-N 2.94Å
53P72Confident80.4Confident92 Ų9270.4 Ų70.460%0.59737%0.373SS*.THydrogen-bonded Turncis-97.2416.337.9-36.7000115.9
54V81.5Confident78.1Confident22 Ų2275.7 Ų75.713%0.13339%0.39CS..  trans-108.5105.5-169.2-165.90000112.4N51 L83 I98 A100N51-V54 CarbonylContact O-C 3.55Å; N51-V54 PolarHBondContact O-N 2.96Å; V54-L83 HydrophobicContact CG1-CD1 3.41Å; V54-L83 VanDerWaalsContact CG1-CD1 3.41Å; V54-I98 HydrophobicContact CB-CG2 3.99Å; V54-I98 HydrophobicContact CG1-CG2 3.68Å; V54-I98 HydrophobicContact CG2-CD1 4.28Å; V54-I98 HydrophobicContact CG2-CG1 4.26Å; V54-I98 HydrophobicContact CG2-CG2 3.84Å; V54-A100 HydrophobicContact CG1-CB 4.39Å; V54-A100 WeakPolarHBondContact O-CB 3.34Å
55N89Confident75.6Confident48 Ų4881.4 Ų81.426%0.25741%0.414SS..  trans-110.6149.2175.7-69.9-33.1000111N47N47-N55 HydrophobicContact CB-CB 4.41Å; N47-N55 WeakPolarHBondContact OD1-CA 3.44Å; N47-N55 WeakPolarHBondContact OD1-CB 3.26Å
56W91.8Very high73.2Confident3 Ų389.7 Ų89.71%0.01145%0.454CS..  trans-60.2134.2163.5-69.488.9000110.5M42 N47 I81 L83 A100 L102 L152 I236 V238M42-W56 VanDerWaalsContact CE-O 3.32Å; M42-W56 WeakPolarHBondContact CE-O 3.26Å; N47-W56 PolarHBondContact ND2-O 3.26Å; N47-W56 WeakPolarHBondContact OD1-CB 3.38Å; N47-W56 PolarHBondContact OD1-N 3.39Å; W56-I81 HydrophobicContact CB-CD1 3.66Å; W56-I81 HydrophobicContact CB-CG1 3.95Å; W56-I81 HydrophobicContact CE3-CG1 4.46Å; W56-I81 HydrophobicContact CE3-CG2 4.12Å; W56-L83 HydrophobicContact CD2-CB 4.04Å; W56-L83 HydrophobicContact CE3-CB 3.86Å; W56-L83 HydrophobicContact CH2-CB 4.18Å; W56-L83 HydrophobicContact CZ2-CB 4.36Å; W56-L83 HydrophobicContact CZ2-CD2 4.5Å; W56-L83 HydrophobicContact CZ3-CB 3.93Å; W56-A100 VanDerWaalsContact NE1-C 3.33Å; W56-A100 PolarHBondContact NE1-O 3.13Å; W56-L102 HydrophobicContact CB-CD1 4.22Å; W56-L102 HydrophobicContact CG-CB 4.18Å; W56-L102 HydrophobicContact CG-CD1 4.45Å; W56-L152 HydrophobicContact CH2-CD1 3.87Å; W56-L152 HydrophobicContact CZ2-CD1 4.12Å; W56-I236 HydrophobicContact CH2-CG2 3.97Å; W56-I236 HydrophobicContact CZ3-CG2 4.48Å; W56-I236 WeakPolarHBondContact CZ3-O 3.13Å; W56-V238 HydrophobicContact CH2-CG2 4.07Å; W56-V238 HydrophobicContact CZ3-CG2 4.06Å
57R90.5Very high70.8Confident117 Ų11797.7 Ų97.744%0.44248%0.48SS..EExtended strand (participates in β ladder)trans-122.9142.5-176.6-59.2-178.6-173.1154.15.2111.1N59 I81 C82 Q86R57-N59 PolarHBondContact O-N 2.8Å; R57-I81 CarbonylContact O-C 3.59Å; R57-I81 WeakPolarHBondContact O-CA 3.16Å; R57-I81 WeakPolarHBondContact O-CG1 3.32Å; R57-C82 PolarHBondContact N-O 3.37Å; R57-C82 PolarHBondContact O-N 2.86Å; R57-Q86 PolarHBondContact NH1-O 3.47Å
58L88.8Confident68.3Low60 Ų60103.2 Ų103.231%0.31451%0.509SS..EExtended strand (participates in β ladder)trans-69.7120.6171.4-65.8169.4000109.8F38 M42 A60 I81F38-L58 HydrophobicContact CB-CD2 3.94Å; F38-L58 HydrophobicContact CD1-CD2 3.89Å; F38-L58 HydrophobicContact CG-CD2 4.35Å; M42-L58 HydrophobicContact CE-CG 4.01Å; M42-L58 HydrophobicContact CG-CD1 4.06Å; M42-L58 HydrophobicContact CG-CD2 3.86Å; M42-L58 HydrophobicContact CG-CG 3.9Å; L58-A60 PolarHBondContact O-N 3.27Å; L58-I81 HydrophobicContact CD2-CB 4.4Å; L58-I81 HydrophobicContact CD2-CG1 4.29Å
59N83.7Confident65.9Low52 Ų52111.4 Ų111.428%0.27854%0.544SS..EExtended strand (participates in β ladder)trans-95.375.6168.9-171.574.2000108.4R57 N79 S80 C82R57-N59 PolarHBondContact O-N 2.8Å; N59-N79 WeakPolarHBondContact O-CA 3.39Å; N59-S80 PolarHBondContact N-O 3.47Å; N59-S80 PolarHBondContact O-N 2.83Å; N59-C82 HydrophobicContact CB-CB 4.41Å
60A66.4Low63.7Low60 Ų60114.9 Ų114.950%0.49655%0.551SS.*  trans-78.8124.6177.200000110.3L58 S62L58-A60 PolarHBondContact O-N 3.27Å; A60-S62 PolarHBondContact O-N 3.16Å; A60-S62 VanDerWaalsContact O-N 3.14Å
61M62.7Low61.1Low67 Ų67115.2 Ų115.233%0.3356%0.563SS.*  trans-66.9113.2171.1-178.9174.7-78.100109.1Y63 E77 N79M61-Y63 PolarHBondContact O-N 3.05Å; M61-Y63 VanDerWaalsContact O-N 3.15Å; M61-E77 HydrophobicContact CE-CB 3.77Å; M61-E77 WeakPolarHBondContact CE-O 3.41Å; M61-N79 VanDerWaalsContact CB-OD1 3.29Å; M61-N79 WeakPolarHBondContact CB-OD1 3.36Å; M61-N79 PolarHBondContact N-OD1 2.95Å
62S47.2Very low59Low88 Ų88122.5 Ų122.562%0.61560%0.596SS**  trans-66111.5165165.10000108.3A60 K64A60-S62 PolarHBondContact O-N 3.16Å; A60-S62 VanDerWaalsContact O-N 3.14Å; S62-K64 PolarHBondContact O-N 3.41Å
63Y49Very low57.5Low205 Ų205119.5 Ų119.580%0.80459%0.593SS**  trans-62.418.6178.8-75.5-88.6000115.4M61M61-Y63 PolarHBondContact O-N 3.05Å; M61-Y63 VanDerWaalsContact O-N 3.15Å
64K42Very low55.7Low167 Ų167119.7 Ų119.773%0.72660%0.597SS**SBendtrans-99.699.4177.3-69.1-173.8174.3-176.80111.5S62S62-K64 PolarHBondContact O-N 3.41Å
65E38.1Very low54.1Low187 Ų187120.8 Ų120.887%0.87460%0.604SS**SBendtrans57.158.6139.8-55.8-176.4120.100119
66E41.4Very low52.4Low183 Ų183123.3 Ų123.386%0.85562%0.62SS**  trans-137.218.9157.8-140.2162.1-139.500116.3L68E66-L68 PolarHBondContact O-N 2.88Å
67F42.5Very low51Low199 Ų199127.9 Ų127.987%0.87364%0.642SS**  trans-68.419.1174.9-116.6-84.2000115.2
68L41.3Very low50.1Low156 Ų156126.9 Ų126.982%0.81764%0.638SS**SBendtrans-140.252.7-170.2-73.2177.2000113.9E66E66-L68 PolarHBondContact O-N 2.88Å
69K38.8Very low49.8Very low178 Ų178125.1 Ų125.177%0.77463%0.629SS**SBendtrans-165.4160.1148.9-95131.8-166.7172.20111
70H39.6Very low50.1Low171 Ų171122.7 Ų122.779%0.79262%0.616SS**  trans66.482.4176.9-48.4108.1000115.4E72H70-E72 PolarHBondContact O-N 3.31Å
71S30.7Very low51.3Low131 Ų131119.9 Ų119.992%0.91659%0.592SS**  trans-7667.5165.957.60000111.4
72E36.4Very low52.7Low178 Ų178117 Ų11783%0.83258%0.579SS**SBendtrans-145.398.4175.5-122.9166.8-144.600110.3H70 S74H70-E72 PolarHBondContact O-N 3.31Å; E72-S74 VanDerWaalsContact C-N 3.29Å; E72-S74 PolarHBondContact O-N 2.93Å
73M33.2Very low54.8Low145 Ų145112.8 Ų112.871%0.71455%0.549SS*.  trans31.650.4170.2-158.5151.9-179.200117.1T75 I198M73-T75 PolarHBondContact O-N 2.91Å; M73-T75 VanDerWaalsContact O-N 3.13Å; M73-I198 HydrophobicContact CE-CD1 4.25Å; M73-I198 HydrophobicContact CE-CG2 4.15Å; M73-I198 HydrophobicContact CG-CD1 4.34Å; M73-I198 HydrophobicContact SD-CD1 3.82Å
74S34.8Very low56.5Low97 Ų97103.9 Ų103.968%0.67852%0.517SS*.  trans-56.4118.5175.9177.80000110.7E72 V76E72-S74 VanDerWaalsContact C-N 3.29Å; E72-S74 PolarHBondContact O-N 2.93Å; S74-V76 PolarHBondContact O-N 3.48Å; S74-V76 VanDerWaalsContact O-N 3.13Å
75T48.9Very low58.3Low45 Ų4598 Ų9828%0.27649%0.493SS..  trans-59.6113.4162.747.70000107.3M73 E77M73-T75 PolarHBondContact O-N 2.91Å; M73-T75 VanDerWaalsContact O-N 3.13Å; T75-E77 PolarHBondContact O-N 3.41Å
76V52.1Low59.4Low100 Ų10094.1 Ų94.161%0.60648%0.475SS*.  trans-56.7104.6-179.1179.80000108.7S74 R78 W201S74-V76 PolarHBondContact O-N 3.48Å; S74-V76 VanDerWaalsContact O-N 3.13Å; V76-R78 HydrophobicContact CG1-CG 4.43Å; V76-R78 PolarHBondContact O-N 3.37Å; V76-W201 PolarHBondContact O-NE1 3.44Å
77E63Low60Low99 Ų9987.6 Ų87.646%0.46346%0.457SS..  trans-68.5126.6173.9-69.7-158129.600108M61 T75 R235M61-E77 HydrophobicContact CE-CB 3.77Å; M61-E77 WeakPolarHBondContact CE-O 3.41Å; T75-E77 PolarHBondContact O-N 3.41Å; E77-R235 IonicContact OE1-NH1 3.17Å
78R70.9Confident60.1Low97 Ų9788.1 Ų88.137%0.36646%0.459SS..  trans-114.5153.3179.9-61.3-175.4-179.5-174.5-0.2109.4V76 S80 W201 D239V76-R78 HydrophobicContact CG1-CG 4.43Å; V76-R78 PolarHBondContact O-N 3.37Å; R78-S80 WeakPolarHBondContact O-CB 3.41Å; R78-S80 PolarHBondContact O-N 2.83Å; R78-S80 VanDerWaalsContact O-N 3.11Å; R78-S80 PolarHBondContact O-OG 3.37Å; R78-W201 HydrophobicContact CB-CZ2 4.16Å; R78-W201 HydrophobicContact CG-CZ2 4.35Å; R78-D239 WeakPolarHBondContact CD-OD2 3.47Å; R78-D239 IonicContact CZ-OD2 3.74Å; R78-D239 IonicContact NE-OD2 3.82Å; R78-D239 IonicContact NH1-OD2 2.83Å; R78-D239 PolarHBondContact NH1-OD2 3.34Å
79N83.5Confident60.1Low22 Ų2284.5 Ų84.512%0.11845%0.447CS..SBendtrans-57.6119.7160.7-66.219000106.9K39 N59 M61K39-N79 PolarHBondContact O-ND2 2.83Å; N59-N79 WeakPolarHBondContact O-CA 3.39Å; M61-N79 VanDerWaalsContact CB-OD1 3.29Å; M61-N79 WeakPolarHBondContact CB-OD1 3.36Å; M61-N79 PolarHBondContact N-OD1 2.95Å
80S88.8Confident60.1Low2 Ų282.6 Ų82.61%0.01445%0.445CS..EExtended strand (participates in β ladder)trans-160.7158.4-167.749.40000109.2N59 R78 V238N59-S80 PolarHBondContact N-O 3.47Å; N59-S80 PolarHBondContact O-N 2.83Å; R78-S80 WeakPolarHBondContact O-CB 3.41Å; R78-S80 PolarHBondContact O-N 2.83Å; R78-S80 VanDerWaalsContact O-N 3.11Å; R78-S80 PolarHBondContact O-OG 3.37Å; S80-V238 WeakPolarHBondContact CA-O 3.17Å; S80-V238 WeakPolarHBondContact CB-O 3.44Å
81I92.2Very high60.3Low0 Ų082 Ų820%045%0.448CS..EExtended strand (participates in β ladder)trans-97.2123.5173.4-156.9-180000109.4F38 M42 W56 R57 L58 L102 C237 V238F38-I81 HydrophobicContact CD1-CB 3.73Å; F38-I81 HydrophobicContact CD1-CD1 4.34Å; F38-I81 HydrophobicContact CD1-CG1 4.47Å; F38-I81 HydrophobicContact CD1-CG2 4.02Å; F38-I81 HydrophobicContact CD2-CB 4.22Å; F38-I81 HydrophobicContact CD2-CG2 3.99Å; F38-I81 HydrophobicContact CE1-CB 3.92Å; F38-I81 HydrophobicContact CE1-CD1 4.06Å; F38-I81 HydrophobicContact CE1-CG2 3.75Å; F38-I81 HydrophobicContact CE2-CB 4.38Å; F38-I81 HydrophobicContact CE2-CG2 3.71Å; F38-I81 HydrophobicContact CG-CB 3.89Å; F38-I81 HydrophobicContact CG-CG2 4.13Å; F38-I81 HydrophobicContact CZ-CB 4.25Å; F38-I81 HydrophobicContact CZ-CG2 3.59Å; M42-I81 HydrophobicContact CE-CD1 3.94Å; M42-I81 HydrophobicContact CE-CG1 4.5Å; M42-I81 HydrophobicContact CG-CD1 3.93Å; M42-I81 HydrophobicContact SD-CD1 3.9Å; W56-I81 HydrophobicContact CB-CD1 3.66Å; W56-I81 HydrophobicContact CB-CG1 3.95Å; W56-I81 HydrophobicContact CE3-CG1 4.46Å; W56-I81 HydrophobicContact CE3-CG2 4.12Å; R57-I81 CarbonylContact O-C 3.59Å; R57-I81 WeakPolarHBondContact O-CA 3.16Å; R57-I81 WeakPolarHBondContact O-CG1 3.32Å; L58-I81 HydrophobicContact CD2-CB 4.4Å; L58-I81 HydrophobicContact CD2-CG1 4.29Å; I81-L102 HydrophobicContact CD1-CD1 3.72Å; I81-L102 HydrophobicContact CD1-CD2 3.84Å; I81-L102 HydrophobicContact CD1-CG 4.44Å; I81-L102 HydrophobicContact CG2-CD2 4.3Å; I81-C237 CarbonylContact O-C 3.5Å; I81-C237 VanDerWaalsContact O-CA 3.29Å; I81-C237 WeakPolarHBondContact O-CA 3.49Å; I81-V238 HydrophobicContact CG2-CB 4.08Å; I81-V238 PolarHBondContact N-O 3.04Å; I81-V238 PolarHBondContact O-N 2.75Å
82C92.3Very high61.2Low6 Ų683.1 Ų83.14%0.04144%0.438CS..EExtended strand (participates in β ladder)trans-123.2132.4-173.4-600000112R57 N59 R235 I236 C237R57-C82 PolarHBondContact N-O 3.37Å; R57-C82 PolarHBondContact O-N 2.86Å; N59-C82 HydrophobicContact CB-CB 4.41Å; C82-R235 HydrophobicContact CB-CG 4.16Å; C82-I236 CarbonylContact C-O 3.57Å; C82-I236 WeakPolarHBondContact CA-O 3.11Å; C82-C237 HydrophobicContact CB-CB 4.14Å; C82-C237 WeakPolarHBondContact CB-SG 3.46Å; C82-C237 WeakPolarHBondContact SG-CB 3.44Å; C82-C237 CovalentContact SG-SG 2.05Å; C82-C237 PolarHBondContact SG-SG 3.15Å
83L90.8Very high62Low0 Ų080.9 Ų80.90%043%0.428CS..EExtended strand (participates in β ladder)trans-88.1127.2161.9173.859.8000108.7V54 W56 A100 G225 I227 R235 I236V54-L83 HydrophobicContact CG1-CD1 3.41Å; V54-L83 VanDerWaalsContact CG1-CD1 3.41Å; W56-L83 HydrophobicContact CD2-CB 4.04Å; W56-L83 HydrophobicContact CE3-CB 3.86Å; W56-L83 HydrophobicContact CH2-CB 4.18Å; W56-L83 HydrophobicContact CZ2-CB 4.36Å; W56-L83 HydrophobicContact CZ2-CD2 4.5Å; W56-L83 HydrophobicContact CZ3-CB 3.93Å; L83-A100 HydrophobicContact CD1-CB 3.48Å; L83-A100 VanDerWaalsContact CD1-CB 3.48Å; L83-A100 HydrophobicContact CD2-CB 4Å; L83-A100 HydrophobicContact CG-CB 4.32Å; L83-G225 VanDerWaalsContact CD2-O 3.23Å; L83-G225 WeakPolarHBondContact CD2-O 3.49Å; L83-I227 HydrophobicContact CD2-CD1 4.3Å; L83-I227 HydrophobicContact CD2-CG1 4.36Å; L83-I227 HydrophobicContact CG-CD1 3.99Å; L83-R235 CarbonylContact O-C 3.57Å; L83-R235 WeakPolarHBondContact O-CA 3.49Å; L83-I236 HydrophobicContact CB-CB 4.37Å; L83-I236 PolarHBondContact N-O 2.89Å; L83-I236 PolarHBondContact O-N 2.87Å
84S86Confident63.1Low19 Ų1974.9 Ų74.913%0.13340%0.4CS..EExtended strand (participates in β ladder)trans-157.8157.2170.558.80000110.9Q86S84-Q86 VanDerWaalsContact C-N 3.31Å
85I78.5Confident64.6Low42 Ų4276 Ų7622%0.21540%0.398CS..  trans-80.2-17.2-177.8-54.2177.1000111.3G87 I98 I227I85-G87 PolarHBondContact O-N 2.91Å; I85-I98 HydrophobicContact CD1-CD1 3.79Å; I85-I98 HydrophobicContact CG1-CD1 3.76Å; I85-I98 HydrophobicContact CG2-CD1 4.1Å; I85-I227 HydrophobicContact CD1-CB 4.47Å; I85-I227 HydrophobicContact CD1-CG2 3.77Å; I85-I227 HydrophobicContact CG1-CD1 4.26Å
86Q62.1Low65.8Low107 Ų10780.8 Ų80.850%0.542%0.417SS..  trans-62.3110.6-174-67.2-176.4-8.900112.2R57 S84R57-Q86 PolarHBondContact NH1-O 3.47Å; S84-Q86 VanDerWaalsContact C-N 3.31Å
87G53.7Low67.3Low46 Ų4681.3 Ų81.347%0.47442%0.417SS..SBendtrans-172.560.5-171.700000115I85 S89I85-G87 PolarHBondContact O-N 2.91Å; G87-S89 PolarHBondContact O-N 3.42Å
88K43.8Very low68.4Low210 Ų21077.9 Ų77.991%0.91340%0.401SS*.SBendtrans57.43.1169.8-70.4-176.4174.5177.40118.1N90K88-N90 VanDerWaalsContact C-N 3.34Å; K88-N90 PolarHBondContact O-N 2.92Å
89S41.3Very low69.3Low79 Ų7975.5 Ų75.555%0.55240%0.397SS*.  trans-73.786169.4-169.50000110.4G87 N91G87-S89 PolarHBondContact O-N 3.42Å; S89-N91 PolarHBondContact O-N 2.87Å
90N40.3Very low69.8Low139 Ų13974.5 Ų74.574%0.74339%0.392SS*.THydrogen-bonded Turntrans-67.4124.5166.9-66-9.5000108.1K88K88-N90 VanDerWaalsContact C-N 3.34Å; K88-N90 PolarHBondContact O-N 2.92Å
91N42.4Very low70Confident158 Ų15878 Ų7885%0.84541%0.405SS*.THydrogen-bonded Turntrans82.613.2171-44.6-29.5000119S89S89-N91 PolarHBondContact O-N 2.87Å
92H50.8Low70.1Confident154 Ų15478 Ų7871%0.71341%0.405SS*.  trans-117.298.3163.8-77.6-74.2000112.4
93Q52.5Low70.2Confident132 Ų13279.1 Ų79.162%0.61741%0.409SS*.  trans-55.5133.5153.1178169.5-26.400108.4D95Q93-D95 PolarHBondContact O-N 3.11Å; Q93-D95 VanDerWaalsContact O-N 3.13Å
94S57.3Low70.4Confident18 Ų1879.1 Ų79.113%0.12641%0.409CS..  trans-8194.7-176.454.60000110.6H96 A229S94-H96 PolarHBondContact O-N 2.84Å; S94-H96 VanDerWaalsContact O-N 3.13Å; S94-A229 WeakPolarHBondContact O-CA 3.29Å; S94-A229 WeakPolarHBondContact O-CB 3.3Å
95D64.5Low70.7Confident120 Ų12078.6 Ų78.664%0.64241%0.405SS*.  trans-7311.2173-66.8-23.5000113.2Q93Q93-D95 PolarHBondContact O-N 3.11Å; Q93-D95 VanDerWaalsContact O-N 3.13Å
96H75.6Confident71.2Confident147 Ų14780.8 Ų80.868%0.68142%0.416SS*.SBendtrans-134.8142.1-175.5-54.7-20.8000110S94 I98S94-H96 PolarHBondContact O-N 2.84Å; S94-H96 VanDerWaalsContact O-N 3.13Å; H96-I98 PolarHBondContact O-N 3.43Å
97D83.3Confident72.6Confident111 Ų11175.9 Ų75.959%0.59439%0.394SS*.  trans-66.4131.4174.7-61.8-22.1000110.5P228 A229D97-P228 WeakPolarHBondContact OD1-CA 3.36Å; D97-P228 WeakPolarHBondContact OD1-CB 3.2Å; D97-A229 PolarHBondContact OD1-N 3.4Å
98I86.2Confident74.1Confident27 Ų2774.9 Ų74.914%0.13838%0.379CS..EExtended strand (participates in β ladder)trans-105.6125.9-178.9-80.1169.7000108.7V54 I85 H96 T226 I227V54-I98 HydrophobicContact CB-CG2 3.99Å; V54-I98 HydrophobicContact CG1-CG2 3.68Å; V54-I98 HydrophobicContact CG2-CD1 4.28Å; V54-I98 HydrophobicContact CG2-CG1 4.26Å; V54-I98 HydrophobicContact CG2-CG2 3.84Å; I85-I98 HydrophobicContact CD1-CD1 3.79Å; I85-I98 HydrophobicContact CG1-CD1 3.76Å; I85-I98 HydrophobicContact CG2-CD1 4.1Å; H96-I98 PolarHBondContact O-N 3.43Å; I98-T226 CarbonylContact O-C 3.54Å; I98-T226 VanDerWaalsContact O-CA 3.28Å; I98-T226 WeakPolarHBondContact O-CA 3.43Å; I98-I227 PolarHBondContact N-O 2.93Å; I98-I227 PolarHBondContact O-N 2.9Å
99T90.1Very high76Confident47 Ų4767.5 Ų67.529%0.28835%0.349SS..EExtended strand (participates in β ladder)trans-128.5132.8173.6-63.80000110.3N51 E224 G225 T226N51-T99 PolarHBondContact ND2-O 3.11Å; T99-E224 HydrophobicContact CG2-CG 3.5Å; T99-E224 VanDerWaalsContact CG2-CG 3.5Å; T99-G225 CarbonylContact C-O 3.57Å; T99-G225 VanDerWaalsContact CA-O 3.28Å; T99-G225 WeakPolarHBondContact CA-O 3.03Å; T99-T226 WeakPolarHBondContact OG1-CG2 3.03Å; T99-T226 PolarHBondContact OG1-OG1 3.36Å
100A92.7Very high77.9Confident0 Ų071.4 Ų71.40%036%0.361CS..EExtended strand (participates in β ladder)trans-127.4139.7177.800000111.1N51 V54 W56 L83 G225N51-A100 WeakPolarHBondContact ND2-CA 3.34Å; V54-A100 HydrophobicContact CG1-CB 4.39Å; V54-A100 WeakPolarHBondContact O-CB 3.34Å; W56-A100 VanDerWaalsContact NE1-C 3.33Å; W56-A100 PolarHBondContact NE1-O 3.13Å; L83-A100 HydrophobicContact CD1-CB 3.48Å; L83-A100 VanDerWaalsContact CD1-CB 3.48Å; L83-A100 HydrophobicContact CD2-CB 4Å; L83-A100 HydrophobicContact CG-CB 4.32Å; A100-G225 PolarHBondContact N-O 3.18Å; A100-G225 PolarHBondContact O-N 2.83Å
101R94.1Very high79.9Confident75 Ų7570.6 Ų70.628%0.28335%0.351SS..EExtended strand (participates in β ladder)trans-116.4137.7-177.3-75.1174.7178156.63.8112D48 I222 L223 E224D48-R101 HydrophobicContact CB-CB 3.59Å; D48-R101 PolarHBondContact N-O 2.73Å; D48-R101 WeakPolarHBondContact OD2-CD 3.42Å; R101-I222 HydrophobicContact CB-CG2 3.9Å; R101-I222 HydrophobicContact CG-CG2 3.89Å; R101-L223 CarbonylContact C-O 3.55Å; R101-L223 WeakPolarHBondContact CA-O 3.38Å; R101-E224 HydrophobicContact CG-CB 4.32Å; R101-E224 HydrophobicContact CG-CG 4.16Å; R101-E224 IonicContact CZ-OE2 3.16Å; R101-E224 IonicContact NE-OE2 2.72Å; R101-E224 PolarHBondContact NE-OE2 3.5Å; R101-E224 IonicContact NH2-OE2 2.74Å; R101-E224 PolarHBondContact NH2-OE2 2.98Å
102L94.7Very high81.9Confident0 Ų064.9 Ų64.90%032%0.319CS..EExtended strand (participates in β ladder)trans-122.4117.4171.7-168.680.7000109F38 M42 W45 G46 W56 I81 I222 L223F38-L102 HydrophobicContact CE1-CD2 4.4Å; F38-L102 HydrophobicContact CZ-CD2 4.26Å; M42-L102 HydrophobicContact SD-CD1 4.41Å; W45-L102 HydrophobicContact CB-CD1 4.36Å; W45-L102 HydrophobicContact CB-CD2 3.92Å; W45-L102 HydrophobicContact CB-CG 4.03Å; W45-L102 HydrophobicContact CD2-CD2 4.27Å; W45-L102 HydrophobicContact CE3-CD2 3.87Å; W45-L102 HydrophobicContact CE3-CG 4.06Å; W45-L102 HydrophobicContact CG-CD2 4.32Å; G46-L102 CarbonylContact O-C 3.55Å; G46-L102 WeakPolarHBondContact O-CA 3.37Å; W56-L102 HydrophobicContact CB-CD1 4.22Å; W56-L102 HydrophobicContact CG-CB 4.18Å; W56-L102 HydrophobicContact CG-CD1 4.45Å; I81-L102 HydrophobicContact CD1-CD1 3.72Å; I81-L102 HydrophobicContact CD1-CD2 3.84Å; I81-L102 HydrophobicContact CD1-CG 4.44Å; I81-L102 HydrophobicContact CG2-CD2 4.3Å; L102-I222 WeakPolarHBondContact O-CA 3.49Å; L102-L223 HydrophobicContact CB-CB 4.29Å; L102-L223 HydrophobicContact CD2-CD1 4.37Å; L102-L223 PolarHBondContact N-O 2.85Å; L102-L223 PolarHBondContact O-N 2.84Å
103F94.1Very high83.7Confident30 Ų3058 Ų5813%0.13229%0.288CS..EExtended strand (participates in β ladder)trans-89143.3178.5-69.5-69.2000112W45 G46 D48 K220 I222W45-F103 CarbonylContact C-O 3.6Å; W45-F103 VanDerWaalsContact CA-O 3.23Å; W45-F103 WeakPolarHBondContact CA-O 3.44Å; W45-F103 VanDerWaalsContact CE3-C 3.47Å; G46-F103 PolarHBondContact N-O 3.44Å; G46-F103 PolarHBondContact O-N 3.14Å; D48-F103 HydrophobicContact CB-CD2 4.07Å; D48-F103 HydrophobicContact CB-CE2 3.47Å; D48-F103 VanDerWaalsContact CB-CE2 3.47Å; D48-F103 HydrophobicContact CB-CZ 4.25Å; D48-F103 WeakPolarHBondContact OD2-CE2 3.41Å; D48-F103 WeakPolarHBondContact OD2-CZ 3.29Å; F103-K220 HydrophobicContact CB-CD 4.37Å; F103-K220 HydrophobicContact CD1-CD 4.4Å; F103-I222 HydrophobicContact CD1-CB 4.48Å; F103-I222 HydrophobicContact CD1-CD1 4.23Å; F103-I222 HydrophobicContact CD1-CG1 3.81Å; F103-I222 HydrophobicContact CD1-CG2 4.21Å; F103-I222 HydrophobicContact CE1-CD1 3.65Å; F103-I222 HydrophobicContact CE1-CG1 3.77Å; F103-I222 HydrophobicContact CE1-CG2 4.17Å
104S94Very high85.4Confident1 Ų153.1 Ų53.11%0.00727%0.268CS..PPolyproline II helixtrans-73.3170.8165.970.80000112.6K220 L221S104-K220 WeakPolarHBondContact O-CD 3.39Å; S104-K220 WeakPolarHBondContact O-CE 3.49Å; S104-K220 PolarHBondContact O-NZ 3.34Å; S104-L221 PolarHBondContact N-O 3.4Å; S104-L221 PolarHBondContact OG-N 2.94Å; S104-L221 PolarHBondContact OG-O 2.84Å
105P92.2Very high87Confident8 Ų852.2 Ų52.25%0.05226%0.262CS..PPolyproline II helixtrans-55.9167.1152.325.6-34.8000111.6D31 L34 N44 I107D31-P105 WeakPolarHBondContact O-CB 3.44Å; L34-P105 HydrophobicContact CD2-CG 3.95Å; N44-P105 HydrophobicContact CB-CB 4.04Å; N44-P105 HydrophobicContact CB-CG 3.89Å; N44-P105 WeakPolarHBondContact O-CD 3.47Å; P105-I107 PolarHBondContact O-N 3.11Å
106I90.2Very high88.4Confident87 Ų8746.7 Ų46.745%0.44623%0.232SC..PPolyproline II helixtrans-71.2126173.4-59.7176.4000108.3D218 K220I106-D218 HydrophobicContact CG2-CB 3.91Å; I106-K220 HydrophobicContact CG1-CD 4.46Å; I106-K220 VanDerWaalsContact CG1-CE 3.43Å; I106-K220 HydrophobicContact CG1-CG 4.24Å
107I90.3Very high89.2Confident5 Ų541.8 Ų41.83%0.02621%0.21CC..BIsolated β-bridgetrans-91.9115.3172.4-59.2163.8000106.7L34 P105 Q112 D218 Y219 L221L34-I107 HydrophobicContact CD1-CD1 3.71Å; L34-I107 HydrophobicContact CD1-CG1 3.98Å; L34-I107 HydrophobicContact CD2-CD1 3.86Å; L34-I107 HydrophobicContact CD2-CG1 3.82Å; L34-I107 HydrophobicContact CG-CD1 4.34Å; L34-I107 HydrophobicContact CG-CG1 4.25Å; P105-I107 PolarHBondContact O-N 3.11Å; I107-Q112 HydrophobicContact CG2-CB 3.76Å; I107-D218 WeakPolarHBondContact O-CA 3.46Å; I107-Y219 HydrophobicContact CB-CD2 4.36Å; I107-Y219 HydrophobicContact CB-CE1 4.29Å; I107-Y219 HydrophobicContact CB-CE2 4.14Å; I107-Y219 HydrophobicContact CD1-CD2 3.96Å; I107-Y219 HydrophobicContact CD1-CE2 3.43Å; I107-Y219 VanDerWaalsContact CD1-CE2 3.43Å; I107-Y219 HydrophobicContact CG1-CE2 4.39Å; I107-Y219 HydrophobicContact CG2-CE1 3.95Å; I107-Y219 HydrophobicContact CG2-CE2 4.26Å; I107-Y219 PolarHBondContact N-O 2.93Å; I107-Y219 PolarHBondContact O-N 3.45Å; I107-L221 HydrophobicContact CD1-CD1 3.82Å; I107-L221 HydrophobicContact CD1-CG 3.75Å
108S86.6Confident89.7Confident24 Ų2436.7 Ų36.717%0.16818%0.183CC..  trans-78.8137.4173.4-1750000111.5M110 K111 Q112 D218S108-M110 PolarHBondContact O-N 2.96Å; S108-K111 CarbonylContact O-C 3.5Å; S108-K111 PolarHBondContact O-N 3.42Å; S108-Q112 PolarHBondContact O-N 3.49Å; S108-D218 WeakPolarHBondContact CA-OD1 3.41Å; S108-D218 PolarHBondContact OG-OD1 3.47Å; S108-D218 PolarHBondContact OG-OD2 2.92Å
109I83.8Confident90Very high55 Ų5536.2 Ų36.228%0.28218%0.18SC..G310 helixtrans-49.5-33.7174-172.2176.7000112.3K111 I215 D218I109-K111 VanDerWaalsContact C-N 3.34Å; I109-K111 PolarHBondContact O-N 2.8Å; I109-I215 WeakPolarHBondContact CD1-O 3.38Å; I109-D218 WeakPolarHBondContact CG2-OD1 3.4Å; I109-D218 PolarHBondContact N-OD1 3.06Å
110M79.5Confident90.1Very high162 Ų16234.9 Ų34.980%0.79817%0.17SC*.G310 helixtrans-72.9-19.4-177.7-64.3-60-62.600114.5S108S108-M110 PolarHBondContact O-N 2.96Å
111K82.8Confident89.9Confident121 Ų12135 Ų3553%0.52617%0.171SC..G310 helixtrans-134.726178.7-62.7-164.9-176174.90112.3E29 M32 S108 I109E29-K111 IonicContact OE1-NZ 2.6Å; E29-K111 PolarHBondContact OE1-NZ 3.13Å; M32-K111 HydrophobicContact CE-CB 4.04Å; M32-K111 HydrophobicContact CE-CD 3.79Å; M32-K111 HydrophobicContact CE-CG 4.18Å; M32-K111 HydrophobicContact SD-CB 4.5Å; S108-K111 CarbonylContact O-C 3.5Å; S108-K111 PolarHBondContact O-N 3.42Å; I109-K111 VanDerWaalsContact C-N 3.34Å; I109-K111 PolarHBondContact O-N 2.8Å
112Q84.4Confident89.6Confident39 Ų3933 Ų3318%0.18217%0.165CC..  trans-66.4142.7-176.469.9-175.415.100112.2I107 S108 I209 Y219I107-Q112 HydrophobicContact CG2-CB 3.76Å; S108-Q112 PolarHBondContact O-N 3.49Å; Q112-I209 HydrophobicContact CG-CD1 4.31Å; Q112-Y219 HydrophobicContact CB-CE1 4.31Å
113P88.5Confident89Confident10 Ų1035 Ų357%0.06518%0.175CC..  trans-71.7151.5171.2-0.915.5000110.7L34 L208 Y244L34-P113 HydrophobicContact CD1-CG 3.56Å; P113-L208 HydrophobicContact CB-CD1 4.08Å; P113-L208 HydrophobicContact CG-CD1 3.87Å; P113-Y244 WeakPolarHBondContact CB-O 3.39Å
114S88.1Confident88.2Confident28 Ų2835.2 Ų35.220%0.19618%0.175CC..SBendtrans-81.5-29170.8-60.90000111.8L208 Y244 T245 E246S114-L208 PolarHBondContact O-N 2.82Å; S114-Y244 PolarHBondContact N-O 3.49Å; S114-T245 VanDerWaalsContact CB-O 3.25Å; S114-T245 WeakPolarHBondContact CB-O 3.41Å; S114-T245 PolarHBondContact OG-O 3.32Å; S114-E246 WeakPolarHBondContact CB-O 3.27Å
115C91.5Very high86.9Confident0 Ų039.9 Ų39.90%020%0.203CC..EExtended strand (participates in β ladder)trans-140.1146.1-174.4-167.10000111.8T205 L206 Y244 E246 C248C115-T205 WeakPolarHBondContact SG-CG2 3.21Å; C115-L206 WeakPolarHBondContact CA-O 3.23Å; C115-Y244 PolarHBondContact N-O 3.18Å; C115-Y244 PolarHBondContact O-N 2.99Å; C115-E246 WeakPolarHBondContact CB-O 3.47Å; C115-C248 HydrophobicContact CB-CB 4.12Å; C115-C248 WeakPolarHBondContact CB-SG 3.23Å; C115-C248 WeakPolarHBondContact SG-CA 3.43Å; C115-C248 WeakPolarHBondContact SG-CB 3.48Å; C115-C248 CovalentContact SG-SG 2.04Å; C115-C248 PolarHBondContact SG-SG 3.36Å
116I93.4Very high85.4Confident3 Ų340.8 Ų40.82%0.01521%0.21CC..EExtended strand (participates in β ladder)trans-125.2140.7169.7-167.2170.6000110L154 T205 L206 L208 L221 I241 T242I116-L154 HydrophobicContact CG2-CD2 4.19Å; I116-T205 CarbonylContact O-C 3.57Å; I116-T205 WeakPolarHBondContact O-CA 3.24Å; I116-L206 HydrophobicContact CG2-CB 4Å; I116-L206 PolarHBondContact N-O 2.91Å; I116-L206 PolarHBondContact O-N 2.82Å; I116-L208 HydrophobicContact CB-CD1 4.22Å; I116-L208 HydrophobicContact CB-CD2 4.35Å; I116-L208 HydrophobicContact CB-CG 4.27Å; I116-L208 HydrophobicContact CG2-CD1 4.47Å; I116-L208 HydrophobicContact CG2-CD2 3.71Å; I116-L208 HydrophobicContact CG2-CG 4.06Å; I116-L221 HydrophobicContact CD1-CD1 3.58Å; I116-I241 HydrophobicContact CD1-CG2 3.94Å; I116-I241 HydrophobicContact CG1-CG2 4.22Å; I116-T242 WeakPolarHBondContact CA-O 3.36Å; I116-T242 WeakPolarHBondContact CG1-O 3.34Å
117Q93.7Very high83.6Confident45 Ų4538.5 Ų38.521%0.2121%0.208CC..EExtended strand (participates in β ladder)trans-123.5143.1172.3174.1173102.900109.2T203 I204 T205 I241 T242 Y244Q117-T203 HydrophobicContact CG-CG2 3.72Å; Q117-I204 VanDerWaalsContact CA-O 3.28Å; Q117-I204 WeakPolarHBondContact CA-O 3.4Å; Q117-I204 WeakPolarHBondContact CG-O 3.15Å; Q117-T205 PolarHBondContact NE2-OG1 2.83Å; Q117-I241 WeakPolarHBondContact O-CA 3.39Å; Q117-T242 PolarHBondContact N-O 3.47Å; Q117-T242 PolarHBondContact O-N 2.82Å; Q117-T242 PolarHBondContact O-OG1 3.14Å; Q117-Y244 HydrophobicContact CB-CE2 4Å
118L93.7Very high81.6Confident4 Ų440.7 Ų40.72%0.02122%0.223CC..EExtended strand (participates in β ladder)trans-148.4157.51726486.9000110.7Y120 I204 L223 V238 I241L118-Y120 HydrophobicContact CD1-CD1 4.07Å; L118-I204 HydrophobicContact CD1-CG2 3.62Å; L118-I204 HydrophobicContact CG-CG2 3.78Å; L118-I204 PolarHBondContact N-O 2.82Å; L118-I204 PolarHBondContact O-N 3.25Å; L118-L223 HydrophobicContact CD2-CD2 3.85Å; L118-V238 HydrophobicContact CB-CG1 4.48Å; L118-V238 HydrophobicContact CD1-CG1 4.28Å; L118-I241 HydrophobicContact CB-CG1 3.98Å
119I91.8Very high80Confident17 Ų1740.5 Ų40.59%0.08722%0.22CC..EExtended strand (participates in β ladder)trans-109.4134.7174.4-42.5-178.8000107.8W201 K202 T203 V238 D239 N240I119-W201 HydrophobicContact CG2-CB 3.93Å; I119-W201 HydrophobicContact CG2-CD2 4.45Å; I119-W201 HydrophobicContact CG2-CE3 3.88Å; I119-K202 CarbonylContact C-O 3.58Å; I119-K202 WeakPolarHBondContact CA-O 3.22Å; I119-K202 WeakPolarHBondContact CG2-O 3.43Å; I119-T203 HydrophobicContact CG1-CG2 4.4Å; I119-V238 CarbonylContact O-C 3.58Å; I119-V238 WeakPolarHBondContact O-CA 3.44Å; I119-D239 HydrophobicContact CB-CB 4.48Å; I119-D239 PolarHBondContact N-O 3.47Å; I119-D239 PolarHBondContact O-N 3.05Å; I119-D239 VanDerWaalsContact O-O 3.08Å; I119-N240 HydrophobicContact CD1-CB 3.92Å; I119-N240 HydrophobicContact CG1-CB 4.17Å
120Y92.1Very high78.3Confident19 Ų1945.6 Ų45.68%0.07524%0.236CC..EExtended strand (participates in β ladder)trans-134.1157-18071-82.6000111.5L118 I122 L152 W182 W201 K202 I204 C237L118-Y120 HydrophobicContact CD1-CD1 4.07Å; Y120-I122 HydrophobicContact CD2-CD1 4.09Å; Y120-I122 HydrophobicContact CD2-CG1 4.11Å; Y120-I122 HydrophobicContact CE2-CD1 4.01Å; Y120-I122 HydrophobicContact CE2-CG1 4.42Å; Y120-L152 HydrophobicContact CD2-CD2 4.26Å; Y120-L152 HydrophobicContact CG-CD2 3.97Å; Y120-W182 HydrophobicContact CD1-CH2 4.01Å; Y120-W182 AromaticContact CE1-CH2 3.57Å; Y120-W182 HydrophobicContact CE1-CH2 3.57Å; Y120-W182 AromaticContact CE1-CZ2 3.98Å; Y120-W182 HydrophobicContact CE1-CZ2 3.98Å; Y120-W182 HydrophobicContact CE2-CH2 4.14Å; Y120-W182 HydrophobicContact CG-CH2 4.47Å; Y120-W182 AromaticContact CZ-CH2 3.64Å; Y120-W182 AromaticContact CZ-CZ2 3.92Å; Y120-W201 CarbonylContact O-C 3.43Å; Y120-W201 WeakPolarHBondContact O-CA 3.26Å; Y120-K202 HydrophobicContact CD1-CB 4.22Å; Y120-K202 VanDerWaalsContact CD1-O 3.24Å; Y120-K202 WeakPolarHBondContact CD1-O 3.29Å; Y120-K202 HydrophobicContact CE1-CB 3.67Å; Y120-K202 HydrophobicContact CE2-CB 4.11Å; Y120-K202 HydrophobicContact CE2-CD 4.21Å; Y120-K202 PolarHBondContact N-O 3.46Å; Y120-K202 PolarHBondContact O-N 3.02Å; Y120-K202 WeakPolarHBondContact OH-CD 3.19Å; Y120-I204 HydrophobicContact CD1-CG2 4.07Å; Y120-I204 HydrophobicContact CE1-CB 4.22Å; Y120-I204 HydrophobicContact CE1-CG2 4.06Å; Y120-C237 CarbonylContact C-O 3.58Å; Y120-C237 VanDerWaalsContact CA-O 3.23Å; Y120-C237 WeakPolarHBondContact CA-O 3.35Å
121N88.4Confident76.7Confident3 Ų343.2 Ų43.22%0.01623%0.227CC..EExtended strand (participates in β ladder)trans-139.5130.9173.6-164.2-2.1000109.8Q123 S199 L200 W201 I236 C237N121-Q123 PolarHBondContact ND2-NE2 3.1Å; N121-S199 PolarHBondContact ND2-O 3.37Å; N121-S199 VanDerWaalsContact OD1-C 3.26Å; N121-S199 WeakPolarHBondContact OD1-CB 3.46Å; N121-S199 PolarHBondContact OD1-O 3.32Å; N121-L200 PolarHBondContact OD1-O 2.04Å; N121-W201 HydrophobicContact CB-CD2 3.74Å; N121-W201 HydrophobicContact CB-CE3 3.6Å; N121-W201 HydrophobicContact CB-CG 4.3Å; N121-W201 HydrophobicContact CB-CH2 4.26Å; N121-W201 HydrophobicContact CB-CZ2 4.4Å; N121-W201 HydrophobicContact CB-CZ3 3.87Å; N121-I236 WeakPolarHBondContact O-CA 3.31Å; N121-C237 PolarHBondContact N-O 2.82Å; N121-C237 PolarHBondContact O-N 3.31Å
122I87.4Confident75.1Confident32 Ų3241.7 Ų41.716%0.16422%0.221CC..EExtended strand (participates in β ladder)trans-116.9110.1178.5-64.8171.6000106.9Y120 Y124 P150 L152 I236Y120-I122 HydrophobicContact CD2-CD1 4.09Å; Y120-I122 HydrophobicContact CD2-CG1 4.11Å; Y120-I122 HydrophobicContact CE2-CD1 4.01Å; Y120-I122 HydrophobicContact CE2-CG1 4.42Å; I122-Y124 HydrophobicContact CG2-CD1 4.03Å; I122-Y124 HydrophobicContact CG2-CE1 4.27Å; I122-P150 HydrophobicContact CG2-CB 4.17Å; I122-L152 HydrophobicContact CD1-CB 4.34Å; I122-I236 HydrophobicContact CG1-CG1 4.33Å; I122-I236 HydrophobicContact CG1-CG2 4.22Å
123Q82.2Confident73.5Confident43 Ų4344 Ų4420%0.20123%0.234CC..EExtended strand (participates in β ladder)trans-109131.9-179.5-26.9-168.9-52.600108.3N121 S199 A234 R235N121-Q123 PolarHBondContact ND2-NE2 3.1Å; Q123-S199 VanDerWaalsContact CG-OG 3.24Å; Q123-S199 WeakPolarHBondContact CG-OG 3.27Å; Q123-S199 PolarHBondContact NE2-OG 3.28Å; Q123-A234 CarbonylContact O-C 3.51Å; Q123-A234 VanDerWaalsContact O-CA 3.27Å; Q123-A234 WeakPolarHBondContact O-CA 3.32Å; Q123-R235 HydrophobicContact CB-CB 4.28Å; Q123-R235 HydrophobicContact CG-CB 4.26Å; Q123-R235 PolarHBondContact N-O 3Å; Q123-R235 PolarHBondContact O-N 3.45Å
124Y77.3Confident71.4Confident33 Ų3348.2 Ų48.213%0.12926%0.263CS..  trans-158.9159.7166.961.6-89.8000109.3I122 L149 P150 F188 Y231I122-Y124 HydrophobicContact CG2-CD1 4.03Å; I122-Y124 HydrophobicContact CG2-CE1 4.27Å; Y124-L149 HydrophobicContact CE2-CD2 4.18Å; Y124-P150 HydrophobicContact CD1-CG 4.03Å; Y124-P150 HydrophobicContact CG-CG 4.25Å; Y124-F188 WeakPolarHBondContact OH-CZ 3.43Å; Y124-Y231 HydrophobicContact CD2-CD1 4.06Å; Y124-Y231 AromaticContact CD2-CE1 3.87Å; Y124-Y231 HydrophobicContact CD2-CE1 3.87Å; Y124-Y231 HydrophobicContact CE2-CE1 4.3Å; Y124-Y231 HydrophobicContact CG-CD1 4.31Å; Y124-Y231 HydrophobicContact CG-CE1 4.47Å
125V67.1Low69.4Low99 Ų9954.3 Ų54.360%0.629%0.293SS*.  trans-96.2120.9172.9-1780000108.4G127V125-G127 PolarHBondContact O-N 2.9Å
126S60.2Low67.1Low28 Ų2856.5 Ų56.520%0.19631%0.309CS..THydrogen-bonded Turntrans-67.225.1-179.8-49.80000114.8L194S126-L194 PolarHBondContact OG-O 3.26Å
127G52.8Low64.7Low39 Ų3961 Ų6140%0.40236%0.355SS..THydrogen-bonded Turntrans-64.3-48.6-179.300000112.3V125 L129 R130V125-G127 PolarHBondContact O-N 2.9Å; G127-L129 VanDerWaalsContact C-N 3.32Å; G127-L129 PolarHBondContact O-N 3.37Å; G127-R130 WeakPolarHBondContact O-CB 3.41Å; G127-R130 PolarHBondContact O-N 3.42Å; G127-R130 VanDerWaalsContact O-N 3.13Å
128S49.4Very low62.5Low51 Ų5169 Ų6936%0.35738%0.384SS..THydrogen-bonded Turntrans-61.5-36.1-179.8-179.80000113.1R130 D131S128-R130 PolarHBondContact O-N 3.01Å; S128-D131 PolarHBondContact O-N 2.92Å
129L53Low60.1Low19 Ų1978 Ų7810%0.09943%0.426CS..Hα-helixtrans-60.3-26.6176.6-91.5168.7000113.6G127 D131 I133 V145 L149G127-L129 VanDerWaalsContact C-N 3.32Å; G127-L129 PolarHBondContact O-N 3.37Å; L129-D131 VanDerWaalsContact C-N 3.27Å; L129-D131 PolarHBondContact O-N 3.07Å; L129-I133 HydrophobicContact CB-CD1 4.18Å; L129-I133 HydrophobicContact CD2-CD1 4.33Å; L129-I133 WeakPolarHBondContact O-CB 3.49Å; L129-I133 WeakPolarHBondContact O-CD1 3.39Å; L129-I133 WeakPolarHBondContact O-CG1 3.29Å; L129-I133 PolarHBondContact O-N 3.34Å; L129-I133 VanDerWaalsContact O-N 3.11Å; L129-V145 HydrophobicContact CD2-CG1 4.38Å; L129-L149 HydrophobicContact CD1-CD2 4.26Å
130R48.1Very low58Low162 Ų16281 Ų8161%0.61144%0.441SS*.Hα-helixtrans-65.4-30.8-177.5-69.9-172.3169.7-162.6-3.4112.8G127 S128 S134G127-R130 WeakPolarHBondContact O-CB 3.41Å; G127-R130 PolarHBondContact O-N 3.42Å; G127-R130 VanDerWaalsContact O-N 3.13Å; S128-R130 PolarHBondContact O-N 3.01Å; R130-S134 WeakPolarHBondContact O-CB 3.37Å; R130-S134 PolarHBondContact O-N 3.05Å; R130-S134 VanDerWaalsContact O-N 3.07Å; R130-S134 PolarHBondContact O-OG 2.94Å
131D45.3Very low55.6Low113 Ų11386.1 Ų86.160%0.60447%0.47SS*.Hα-helixtrans-79.7-40.6-177.4-66.9-28.9000112.1S128 L129 S134 L135S128-D131 PolarHBondContact O-N 2.92Å; L129-D131 VanDerWaalsContact C-N 3.27Å; L129-D131 PolarHBondContact O-N 3.07Å; D131-S134 PolarHBondContact O-N 3.39Å; D131-L135 PolarHBondContact O-N 3.38Å; D131-L135 VanDerWaalsContact O-N 3.15Å
132E48.7Very low53.6Low89 Ų8992.9 Ų92.942%0.41650%0.503SS..Hα-helixtrans-68.3-37.3174-67-151.9157.200112.8S134 S136 K148E132-S134 VanDerWaalsContact C-N 3.33Å; E132-S136 PolarHBondContact O-N 2.98Å; E132-S136 PolarHBondContact O-OG 3.32Å; E132-S136 VanDerWaalsContact O-OG 3.13Å; E132-K148 IonicContact OE1-NZ 2.87Å; E132-K148 PolarHBondContact OE1-NZ 2.9Å; E132-K148 IonicContact OE2-NZ 2.64Å; E132-K148 PolarHBondContact OE2-NZ 3.04Å
133I50.3Low51.6Low87 Ų87101.9 Ų101.945%0.44654%0.537SS..Hα-helixtrans-66.9-34.5175-66.9168.4000111.1L129 L140L129-I133 HydrophobicContact CB-CD1 4.18Å; L129-I133 HydrophobicContact CD2-CD1 4.33Å; L129-I133 WeakPolarHBondContact O-CB 3.49Å; L129-I133 WeakPolarHBondContact O-CD1 3.39Å; L129-I133 WeakPolarHBondContact O-CG1 3.29Å; L129-I133 PolarHBondContact O-N 3.34Å; L129-I133 VanDerWaalsContact O-N 3.11Å; I133-L140 HydrophobicContact CG1-CD1 3.81Å
134S44.5Very low49.9Very low98 Ų98104.4 Ų104.469%0.68556%0.559SS**Hα-helixtrans-79.4-24.1-178.5-60.70000114.1R130 D131 E132R130-S134 WeakPolarHBondContact O-CB 3.37Å; R130-S134 PolarHBondContact O-N 3.05Å; R130-S134 VanDerWaalsContact O-N 3.07Å; R130-S134 PolarHBondContact O-OG 2.94Å; D131-S134 PolarHBondContact O-N 3.39Å; E132-S134 VanDerWaalsContact C-N 3.33Å
135L47.3Very low49Very low156 Ų156104 Ų10482%0.81756%0.56SS**Hα-helixtrans-97-13.8-177.1-85157.6000114.6D131D131-L135 PolarHBondContact O-N 3.38Å; D131-L135 VanDerWaalsContact O-N 3.15Å
136S42.7Very low48.6Very low47 Ų47100.1 Ų100.133%0.32954%0.54SS..  trans-122.9100.117365.90000112.1E132 R138E132-S136 PolarHBondContact O-N 2.98Å; E132-S136 PolarHBondContact O-OG 3.32Å; E132-S136 VanDerWaalsContact O-OG 3.13Å; S136-R138 PolarHBondContact O-N 3.34Å
137G42.2Very low48.9Very low96 Ų96104.1 Ų104.199%0.9956%0.559SS**  trans-71.139.1168.200000113.4
138R48.7Very low49.9Very low215 Ų215106.8 Ų106.881%0.81156%0.56SS**SBendtrans-110.2147171.5-81.7-178.2166173.3-4.7107.9S136 L140S136-R138 PolarHBondContact O-N 3.34Å; R138-L140 PolarHBondContact O-N 3.49Å; R138-L140 VanDerWaalsContact O-N 3.07Å
139E43.3Very low51.4Low193 Ų193104.8 Ų104.890%0.90255%0.545SS*.  trans-58.1115.3166.2-64.8169.3125.500108.6N141E139-N141 PolarHBondContact O-N 2.95Å
140L46.7Very low53Low80 Ų80103.9 Ų103.942%0.41954%0.54SS..  trans-67.1102.2171.4-78.2170.9000107.7I133 R138 M142 V145I133-L140 HydrophobicContact CG1-CD1 3.81Å; R138-L140 PolarHBondContact O-N 3.49Å; R138-L140 VanDerWaalsContact O-N 3.07Å; L140-M142 PolarHBondContact O-N 3.39Å; L140-V145 HydrophobicContact CB-CG2 4.11Å; L140-V145 HydrophobicContact CD1-CG2 4.43Å; L140-V145 HydrophobicContact CD2-CG2 4.31Å
141N41.6Very low55Low126 Ų12698.2 Ų98.267%0.67452%0.52SS*.  trans-51.9107.6166.9-98.6-25.1000107.9E139 Y143 S144E139-N141 PolarHBondContact O-N 2.95Å; N141-Y143 PolarHBondContact O-N 2.89Å; N141-S144 WeakPolarHBondContact O-CB 3.4Å; N141-S144 PolarHBondContact O-N 3.4Å
142M47.2Very low57.3Low145 Ų14592.8 Ų92.871%0.71449%0.491SS*.G310 helixtrans-58.7-31.3-165.2-145.1170.680.600112.3L140 S144 V145L140-M142 PolarHBondContact O-N 3.39Å; M142-S144 VanDerWaalsContact C-N 3.25Å; M142-S144 PolarHBondContact O-N 2.92Å; M142-V145 PolarHBondContact O-N 3.45Å; M142-V145 VanDerWaalsContact O-N 3.09Å
143Y45.3Very low59.5Low221 Ų22188.9 Ų88.987%0.86747%0.473SS*.G310 helixtrans-55.2-31.1171.4-65.7-78.6000114.8N141N141-Y143 PolarHBondContact O-N 2.89Å
144S46.5Very low61.6Low95 Ų9584.7 Ų84.766%0.66445%0.452SS*.G310 helixtrans-85.1-7179.1-169.10000113.7N141 M142N141-S144 WeakPolarHBondContact O-CB 3.4Å; N141-S144 PolarHBondContact O-N 3.4Å; M142-S144 VanDerWaalsContact C-N 3.25Å; M142-S144 PolarHBondContact O-N 2.92Å
145V58Low64Low25 Ų2580.6 Ų80.615%0.15242%0.422CS..THydrogen-bonded Turntrans-96-24.1-179.5-172.40000111.4L129 L140 M142 D147 K148 L149L129-V145 HydrophobicContact CD2-CG1 4.38Å; L140-V145 HydrophobicContact CB-CG2 4.11Å; L140-V145 HydrophobicContact CD1-CG2 4.43Å; L140-V145 HydrophobicContact CD2-CG2 4.31Å; M142-V145 PolarHBondContact O-N 3.45Å; M142-V145 VanDerWaalsContact O-N 3.09Å; V145-D147 PolarHBondContact O-N 3.44Å; V145-D147 VanDerWaalsContact O-N 3.16Å; V145-K148 CarbonylContact O-C 3.47Å; V145-K148 WeakPolarHBondContact O-CA 3.33Å; V145-K148 PolarHBondContact O-N 3.08Å; V145-L149 HydrophobicContact CG1-CD1 4.07Å; V145-L149 HydrophobicContact CG1-CG 4.36Å
146G59.6Low66.1Low18 Ų1873.4 Ų73.419%0.18638%0.384CS..G310 helixtrans-60.1-26.6-176.400000115.4Y186G146-Y186 WeakPolarHBondContact O-CE2 3.44Å; G146-Y186 PolarHBondContact O-OH 3.34Å
147D66Low68.3Low111 Ų11175.1 Ų75.159%0.59438%0.384SS*.G310 helixtrans-81.9-17.6173.5-75.5-40.9000113.8V145 K151V145-D147 PolarHBondContact O-N 3.44Å; V145-D147 VanDerWaalsContact O-N 3.16Å; D147-K151 IonicContact OD1-NZ 3.01Å; D147-K151 PolarHBondContact OD1-NZ 2.96Å
148K74.4Confident70.5Confident96 Ų9673 Ų7342%0.41735%0.348SS..G310 helixtrans-95.221.5174.1-64.8-166.9-178-178.50113.3E132 V145 Y231E132-K148 IonicContact OE1-NZ 2.87Å; E132-K148 PolarHBondContact OE1-NZ 2.9Å; E132-K148 IonicContact OE2-NZ 2.64Å; E132-K148 PolarHBondContact OE2-NZ 3.04Å; V145-K148 CarbonylContact O-C 3.47Å; V145-K148 WeakPolarHBondContact O-CA 3.33Å; V145-K148 PolarHBondContact O-N 3.08Å; K148-Y231 WeakPolarHBondContact O-CE2 3.48Å; K148-Y231 VanDerWaalsContact O-CZ 3.29Å; K148-Y231 PolarHBondContact O-OH 2.93Å
149L80.6Confident72.1Confident9 Ų967 Ų675%0.04733%0.33CS..SBendtrans-125.5155.2177.8-76.7167.4000111.1Y124 L129 V145 K151 Y186 P228 Y231Y124-L149 HydrophobicContact CE2-CD2 4.18Å; L129-L149 HydrophobicContact CD1-CD2 4.26Å; V145-L149 HydrophobicContact CG1-CD1 4.07Å; V145-L149 HydrophobicContact CG1-CG 4.36Å; L149-K151 PolarHBondContact O-N 3.39Å; L149-Y186 HydrophobicContact CB-CD1 4.1Å; L149-Y186 HydrophobicContact CB-CD2 4.47Å; L149-Y186 HydrophobicContact CB-CE1 3.47Å; L149-Y186 VanDerWaalsContact CB-CE1 3.47Å; L149-Y186 HydrophobicContact CB-CE2 3.89Å; L149-Y186 VanDerWaalsContact CB-OH 3.26Å; L149-Y186 WeakPolarHBondContact CB-OH 3.48Å; L149-Y186 HydrophobicContact CD1-CD1 3.82Å; L149-Y186 HydrophobicContact CD1-CD2 4.04Å; L149-Y186 HydrophobicContact CD1-CE1 4.09Å; L149-Y186 HydrophobicContact CD1-CE2 4.28Å; L149-Y186 HydrophobicContact CD1-CG 3.76Å; L149-Y186 HydrophobicContact CG-CE1 4.36Å; L149-Y186 PolarHBondContact O-OH 3.42Å; L149-P228 WeakPolarHBondContact O-CD 3.45Å; L149-Y231 HydrophobicContact CD2-CE1 4.47Å
150P87Confident73.7Confident0 Ų061 Ų610%032%0.32CS..  trans-68.9114.6175.8-18.932.6000111.9I122 Y124 Y186 T226 I227 Y231 A234 I236I122-P150 HydrophobicContact CG2-CB 4.17Å; Y124-P150 HydrophobicContact CD1-CG 4.03Å; Y124-P150 HydrophobicContact CG-CG 4.25Å; P150-Y186 WeakPolarHBondContact O-CE1 3.28Å; P150-Y186 PolarHBondContact O-OH 3.27Å; P150-T226 CarbonylContact C-O 3.58Å; P150-T226 VanDerWaalsContact CA-O 3.27Å; P150-T226 WeakPolarHBondContact CA-O 3.45Å; P150-I227 HydrophobicContact CB-CG1 4.42Å; P150-Y231 HydrophobicContact CG-CD1 4.32Å; P150-Y231 HydrophobicContact CG-CG 4.3Å; P150-A234 HydrophobicContact CB-CB 4.32Å; P150-A234 HydrophobicContact CG-CB 3.83Å; P150-I236 HydrophobicContact CB-CD1 4.08Å; P150-I236 HydrophobicContact CB-CG1 4.35Å
151K89.9Confident74.9Confident42 Ų4260 Ų6018%0.18332%0.32CS..EExtended strand (participates in β ladder)trans-112.5141.6-175.838.9-170.3170.4176.80112.3D147 L149 T183 S184 Y186 G225 T226 I236D147-K151 IonicContact OD1-NZ 3.01Å; D147-K151 PolarHBondContact OD1-NZ 2.96Å; L149-K151 PolarHBondContact O-N 3.39Å; K151-T183 HydrophobicContact CB-CG2 3.92Å; K151-T183 HydrophobicContact CD-CG2 4.49Å; K151-S184 WeakPolarHBondContact CA-OG 3.33Å; K151-Y186 WeakPolarHBondContact CA-OH 3.36Å; K151-Y186 WeakPolarHBondContact CB-OH 3.25Å; K151-Y186 PolarHBondContact N-OH 3Å; K151-G225 WeakPolarHBondContact O-CA 3.44Å; K151-T226 PolarHBondContact N-O 3.49Å; K151-T226 PolarHBondContact O-N 3.42Å; K151-I236 WeakPolarHBondContact O-CD1 3.47Å
152L93.8Very high76.7Confident0 Ų055.6 Ų55.60%030%0.299CS..EExtended strand (participates in β ladder)trans-103.8135.7162.6-179.960.2000109W56 Y120 I122 W182 T183 S184 L223 I236 V238W56-L152 HydrophobicContact CH2-CD1 3.87Å; W56-L152 HydrophobicContact CZ2-CD1 4.12Å; Y120-L152 HydrophobicContact CD2-CD2 4.26Å; Y120-L152 HydrophobicContact CG-CD2 3.97Å; I122-L152 HydrophobicContact CD1-CB 4.34Å; L152-W182 HydrophobicContact CB-CZ3 4.43Å; L152-W182 HydrophobicContact CD2-CZ3 4.19Å; L152-W182 HydrophobicContact CG-CZ3 4.1Å; L152-T183 CarbonylContact O-C 3.55Å; L152-T183 VanDerWaalsContact O-CA 3.29Å; L152-T183 WeakPolarHBondContact O-CA 3.43Å; L152-S184 PolarHBondContact N-OG 3.13Å; L152-S184 PolarHBondContact O-N 2.99Å; L152-S184 PolarHBondContact O-OG 3.13Å; L152-L223 HydrophobicContact CD1-CD2 4.23Å; L152-I236 HydrophobicContact CB-CG2 4.07Å; L152-I236 HydrophobicContact CD1-CG2 4.26Å; L152-I236 HydrophobicContact CD2-CG2 4.49Å; L152-V238 HydrophobicContact CD1-CG2 4.36Å; L152-V238 HydrophobicContact CD2-CG2 3.67Å
153S94Very high78.3Confident6 Ų652.5 Ų52.54%0.04229%0.288CS..EExtended strand (participates in β ladder)trans-130.1148.2175-53.20000111.4W182 T183 E224S153-W182 CarbonylContact C-O 3.55Å; S153-W182 WeakPolarHBondContact CA-O 3.24Å; S153-W182 VanDerWaalsContact CB-O 3.3Å; S153-W182 WeakPolarHBondContact CB-O 3.49Å; S153-T183 PolarHBondContact OG-OG1 3.4Å; S153-E224 PolarHBondContact N-O 3.44Å; S153-E224 PolarHBondContact O-N 3.16Å
154L94.8Very high80Confident0 Ų048.8 Ų48.80%028%0.276CS..EExtended strand (participates in β ladder)trans-109.6127.9169.1-172.372.8000108.9I116 L181 W182 L206 L221 I222 L223I116-L154 HydrophobicContact CG2-CD2 4.19Å; L154-L181 HydrophobicContact CD2-CD1 3.99Å; L154-L181 HydrophobicContact CG-CD1 4.3Å; L154-L181 WeakPolarHBondContact O-CB 3.07Å; L154-L181 PolarHBondContact O-N 2.83Å; L154-W182 HydrophobicContact CB-CB 4.47Å; L154-W182 HydrophobicContact CB-CE3 4.48Å; L154-W182 PolarHBondContact N-O 3.48Å; L154-W182 PolarHBondContact O-N 3.49Å; L154-W182 VanDerWaalsContact O-N 3.15Å; L154-L206 HydrophobicContact CB-CD1 4.38Å; L154-L206 HydrophobicContact CD2-CD1 3.64Å; L154-L221 HydrophobicContact CD1-CB 4.3Å; L154-I222 WeakPolarHBondContact CA-O 3.42Å; L154-L223 HydrophobicContact CD1-CD2 3.69Å; L154-L223 HydrophobicContact CD1-CG 4.07Å
155L93.7Very high81.5Confident12 Ų1249.3 Ų49.36%0.06327%0.267CS..EExtended strand (participates in β ladder)trans-121.8153.8178.1-53.8117.9000111.5N178 E179 K180 L221 I222 E224L155-N178 HydrophobicContact CB-CB 4.3Å; L155-N178 HydrophobicContact CD2-CB 3.91Å; L155-E179 CarbonylContact C-O 3.51Å; L155-E179 WeakPolarHBondContact CA-O 3.43Å; L155-E179 VanDerWaalsContact CB-O 3.26Å; L155-E179 WeakPolarHBondContact CB-O 3.01Å; L155-K180 HydrophobicContact CD2-CB 4.18Å; L155-K180 HydrophobicContact CD2-CG 4.35Å; L155-L221 CarbonylContact O-C 3.51Å; L155-L221 WeakPolarHBondContact O-CA 3.47Å; L155-I222 HydrophobicContact CB-CB 4.2Å; L155-I222 HydrophobicContact CB-CD1 4.43Å; L155-I222 HydrophobicContact CB-CG1 4.43Å; L155-I222 HydrophobicContact CD1-CB 4.25Å; L155-I222 PolarHBondContact N-O 3.05Å; L155-I222 PolarHBondContact O-N 3.1Å; L155-E224 HydrophobicContact CD1-CB 3.44Å; L155-E224 VanDerWaalsContact CD1-CB 3.44Å; L155-E224 HydrophobicContact CD1-CG 4.27Å
156R91.6Very high82.5Confident5 Ų552.2 Ų52.22%0.01928%0.284CS..EExtended strand (participates in β ladder)trans-111125.4173.2-175.4166.474.5177.87.5108.6E179 L181 L208 E213 Y219R156-E179 HydrophobicContact CB-CB 4.29Å; R156-E179 IonicContact CZ-OE1 2.77Å; R156-E179 IonicContact CZ-OE2 3.72Å; R156-E179 PolarHBondContact N-O 2.87Å; R156-E179 IonicContact NE-OE1 2.63Å; R156-E179 PolarHBondContact NE-OE1 3.03Å; R156-E179 IonicContact NE-OE2 3.08Å; R156-E179 PolarHBondContact NE-OE2 3.09Å; R156-E179 IonicContact NH2-OE1 2.7Å; R156-E179 PolarHBondContact NH2-OE1 3.06Å; R156-E179 IonicContact NH2-OE2 3.17Å; R156-E179 PolarHBondContact NH2-OE2 3.08Å; R156-E179 WeakPolarHBondContact O-CB 3.28Å; R156-E179 PolarHBondContact O-N 3.17Å; R156-L181 HydrophobicContact CB-CD1 4.05Å; R156-L181 HydrophobicContact CB-CD2 4.09Å; R156-L181 HydrophobicContact CB-CG 3.99Å; R156-L208 PolarHBondContact NH1-O 3.04Å; R156-E213 IonicContact NH2-OE2 2.74Å; R156-E213 PolarHBondContact NH2-OE2 2.96Å; R156-E213 VanDerWaalsContact NH2-OE2 3.17Å; R156-Y219 HydrophobicContact CG-CD2 3.77Å; R156-Y219 HydrophobicContact CG-CE2 4.31Å; R156-Y219 HydrophobicContact CG-CG 4.16Å
157R89.8Confident83.3Confident83 Ų8354.1 Ų54.131%0.31329%0.293SS..EExtended strand (participates in β ladder)trans-117.6105.3174.9-175.2179.2177.9179.8-1.8109.5N178 Y219 K220 I222R157-N178 WeakPolarHBondContact CD-OD1 3.43Å; R157-N178 WeakPolarHBondContact CG-OD1 3.34Å; R157-Y219 VanDerWaalsContact O-CA 3.32Å; R157-Y219 WeakPolarHBondContact O-CA 3.36Å; R157-Y219 WeakPolarHBondContact O-CB 3.29Å; R157-K220 PolarHBondContact N-O 3.3Å; R157-K220 PolarHBondContact O-N 3.48Å; R157-I222 HydrophobicContact CB-CD1 4.05Å
158Q88.3Confident83.8Confident50 Ų5055.4 Ų55.423%0.23430%0.299CS..EExtended strand (participates in β ladder)trans-74.3139179.5-62.1176.59.500111.1E179Q158-E179 PolarHBondContact NE2-OE2 2.92Å
159M83.1Confident83.6Confident89 Ų8954 Ų5444%0.43831%0.312SS..THydrogen-bonded Turntrans-69.1135.8174.2-171.6176.2-17800109.9S161 T217 D218 P917M159-S161 PolarHBondContact O-N 2.98Å; M159-S161 VanDerWaalsContact O-N 3.17Å; M159-T217 WeakPolarHBondContact O-CB 3.47Å; M159-T217 PolarHBondContact O-OG1 3.26Å; M159-D218 WeakPolarHBondContact CB-O 3.09Å; M159-D218 PolarHBondContact N-O 3.22Å; M159-D218 HydrophobicContact SD-CB 4.45Å; M159-P917 HydrophobicContact CE-CB 3.61Å
160G76.7Confident83.2Confident68 Ų6865 Ų6570%0.70135%0.353SS*.THydrogen-bonded Turntrans75.5-11.3179.800000116.1C162G160-C162 PolarHBondContact O-N 3.32Å
161S71.5Confident82.7Confident60 Ų6069.8 Ų69.842%0.4237%0.374SS..  trans-79.455.1-179.1-155.30000112.5M159M159-S161 PolarHBondContact O-N 2.98Å; M159-S161 VanDerWaalsContact O-N 3.17Å
162C80Confident82.1Confident33 Ų3373.9 Ų73.922%0.22339%0.393CS..EExtended strand (participates in β ladder)trans-119.1116.2-178.8-50.70000110.5G160 L174 L175 C176G160-C162 PolarHBondContact O-N 3.32Å; C162-L174 HydrophobicContact CB-CD1 4.14Å; C162-L174 HydrophobicContact CB-CD2 3.81Å; C162-L174 HydrophobicContact CB-CG 3.71Å; C162-L175 CarbonylContact C-O 3.55Å; C162-L175 WeakPolarHBondContact CA-O 3.26Å; C162-C176 HydrophobicContact CB-CB 3.92Å; C162-C176 WeakPolarHBondContact CB-SG 3.4Å; C162-C176 WeakPolarHBondContact SG-CB 3.3Å; C162-C176 CovalentContact SG-SG 2.04Å; C162-C176 PolarHBondContact SG-SG 3.05Å
163T80.7Confident81.2Confident79 Ų7976 Ų7649%0.48541%0.408SS..EExtended strand (participates in β ladder)trans-84.2143.2-175.863.50000111.5K165 L175T163-K165 PolarHBondContact O-N 3.44Å; T163-L175 PolarHBondContact N-O 2.98Å; T163-L175 PolarHBondContact O-N 3.26Å; T163-L175 PolarHBondContact OG1-O 3.42Å
164K79.9Confident80.5Confident143 Ų14380.6 Ų80.662%0.62243%0.432SS*.EExtended strand (participates in β ladder)trans-80.3107.1168.7-77-171.2166.9-156.70109.6E172 S173 L174K164-E172 WeakPolarHBondContact CD-OE2 3.35Å; K164-E172 WeakPolarHBondContact CE-OE2 3.28Å; K164-E172 IonicContact NZ-OE2 2.68Å; K164-E172 PolarHBondContact NZ-OE2 3.29Å; K164-S173 CarbonylContact C-O 3.59Å; K164-S173 WeakPolarHBondContact CA-O 3.47Å; K164-L174 HydrophobicContact CG-CD1 4.1Å
165K79.2Confident79.8Confident107 Ų10782.9 Ų82.947%0.46544%0.444SS..EExtended strand (participates in β ladder)trans-106.4111.6177.2-170.5172-173.5171.70109.4T163 V167 S173 L175T163-K165 PolarHBondContact O-N 3.44Å; K165-V167 PolarHBondContact O-N 3.41Å; K165-S173 PolarHBondContact N-O 3.14Å; K165-S173 PolarHBondContact O-N 3.29Å; K165-S173 PolarHBondContact O-OG 3.35Å; K165-L175 HydrophobicContact CB-CB 4.44Å; K165-L175 HydrophobicContact CD-CD2 3.73Å
166T79.1Confident79.2Confident85 Ų8583.9 Ų83.952%0.52145%0.451SS..EExtended strand (participates in β ladder)trans-74.4111.7178.2-47.80000110.2K171T166-K171 CarbonylContact C-O 3.52Å; T166-K171 WeakPolarHBondContact CA-O 3.35Å
167V75Confident78.7Confident59 Ų5989.9 Ų89.936%0.35848%0.48SS..EExtended strand (participates in β ladder)trans-89131.8172.5-176.30000108.4K165 G169 R170 K171K165-V167 PolarHBondContact O-N 3.41Å; V167-G169 PolarHBondContact O-N 3.04Å; V167-R170 PolarHBondContact O-N 3.34Å; V167-K171 PolarHBondContact N-O 2.86Å; V167-K171 PolarHBondContact O-N 2.92Å
168D76.3Confident78.7Confident138 Ų13888.2 Ų88.274%0.73848%0.477SS*.THydrogen-bonded Turntrans50.228.2177.7-52.3-32000115.9R170D168-R170 PolarHBondContact O-N 3.15Å
169G71.9Confident78.7Confident66 Ų6688.7 Ų88.768%0.6848%0.479SS*.THydrogen-bonded Turntrans64.49.617700000115.4V167V167-G169 PolarHBondContact O-N 3.04Å
170R70.5Confident79.1Confident239 Ų23990.8 Ų90.890%0.90249%0.486SS*.THydrogen-bonded Turntrans-139-22.8-177.4-78.6-173.4172.9177.5-1.3115.5V167 D168V167-R170 PolarHBondContact O-N 3.34Å; D168-R170 PolarHBondContact O-N 3.15Å
171K76.1Confident79.8Confident101 Ų10189.7 Ų89.744%0.43946%0.464SS..EExtended strand (participates in β ladder)trans-107.7119.5176.7-67173.6-179.5167.70108.7T166 V167 E844T166-K171 CarbonylContact C-O 3.52Å; T166-K171 WeakPolarHBondContact CA-O 3.35Å; V167-K171 PolarHBondContact N-O 2.86Å; V167-K171 PolarHBondContact O-N 2.92Å; K171-E844 IonicContact NZ-OE1 3.01Å; K171-E844 PolarHBondContact NZ-OE1 3.24Å; K171-E844 IonicContact NZ-OE2 2.59Å; K171-E844 PolarHBondContact NZ-OE2 3.35Å
172E77.5Confident80.8Confident128 Ų12888.2 Ų88.260%0.59845%0.449SS*.EExtended strand (participates in β ladder)trans-78.1120.3162.6-69.9-172.9175.100108.5K164K164-E172 WeakPolarHBondContact CD-OE2 3.35Å; K164-E172 WeakPolarHBondContact CE-OE2 3.28Å; K164-E172 IonicContact NZ-OE2 2.68Å; K164-E172 PolarHBondContact NZ-OE2 3.29Å
173S76.2Confident81.3Confident45 Ų4588 Ų8832%0.31545%0.447SS..EExtended strand (participates in β ladder)trans-102.4145.716869.70000109.7K164 K165K164-S173 CarbonylContact C-O 3.59Å; K164-S173 WeakPolarHBondContact CA-O 3.47Å; K165-S173 PolarHBondContact N-O 3.14Å; K165-S173 PolarHBondContact O-N 3.29Å; K165-S173 PolarHBondContact O-OG 3.35Å
174L77.7Confident81.7Confident103 Ų10384.4 Ų84.454%0.53943%0.425SS..EExtended strand (participates in β ladder)trans-100.4102.4175.5-164.683.1000109.1C162 K164C162-L174 HydrophobicContact CB-CD1 4.14Å; C162-L174 HydrophobicContact CB-CD2 3.81Å; C162-L174 HydrophobicContact CB-CG 3.71Å; K164-L174 HydrophobicContact CG-CD1 4.1Å
175L80.6Confident81.5Confident47 Ų4782.7 Ų82.725%0.24642%0.422CS..EExtended strand (participates in β ladder)trans-94.897.2-178.3-177.460.7000110C162 T163 K165 E177C162-L175 CarbonylContact C-O 3.55Å; C162-L175 WeakPolarHBondContact CA-O 3.26Å; T163-L175 PolarHBondContact N-O 2.98Å; T163-L175 PolarHBondContact O-N 3.26Å; T163-L175 PolarHBondContact OG1-O 3.42Å; K165-L175 HydrophobicContact CB-CB 4.44Å; K165-L175 HydrophobicContact CD-CD2 3.73Å; L175-E177 HydrophobicContact CD1-CG 4.46Å; L175-E177 HydrophobicContact CD2-CG 4.12Å; L175-E177 VanDerWaalsContact CD2-OE1 3.32Å; L175-E177 WeakPolarHBondContact CD2-OE1 3.45Å; L175-E177 HydrophobicContact CG-CG 3.83Å; L175-E177 PolarHBondContact O-N 3.39Å
176C81Confident80.8Confident33 Ų3379.6 Ų79.622%0.22341%0.408CS..EExtended strand (participates in β ladder)trans-80107165.3-54.30000108.6C162C162-C176 HydrophobicContact CB-CB 3.92Å; C162-C176 WeakPolarHBondContact CB-SG 3.4Å; C162-C176 WeakPolarHBondContact SG-CB 3.3Å; C162-C176 CovalentContact SG-SG 2.04Å; C162-C176 PolarHBondContact SG-SG 3.05Å
177E82.7Confident79.3Confident132 Ų13278.2 Ų78.262%0.61740%0.402SS*.PPolyproline II helixtrans-82141.6176.6-60.7-169.2161.900110.2L175L175-E177 HydrophobicContact CD1-CG 4.46Å; L175-E177 HydrophobicContact CD2-CG 4.12Å; L175-E177 VanDerWaalsContact CD2-OE1 3.32Å; L175-E177 WeakPolarHBondContact CD2-OE1 3.45Å; L175-E177 HydrophobicContact CG-CG 3.83Å; L175-E177 PolarHBondContact O-N 3.39Å
178N88.9Confident78.1Confident48 Ų4879.1 Ų79.126%0.25740%0.401SS..PPolyproline II helixtrans-98.1122.5173.5-67.1-27.9000108L155 R157L155-N178 HydrophobicContact CB-CB 4.3Å; L155-N178 HydrophobicContact CD2-CB 3.91Å; R157-N178 WeakPolarHBondContact CD-OD1 3.43Å; R157-N178 WeakPolarHBondContact CG-OD1 3.34Å
179E89.2Confident76.6Confident59 Ų5980.2 Ų80.228%0.27640%0.402SS..EExtended strand (participates in β ladder)trans-77139.1176.1-174-157.4126.900109.8L155 R156 Q158 L181L155-E179 CarbonylContact C-O 3.51Å; L155-E179 WeakPolarHBondContact CA-O 3.43Å; L155-E179 VanDerWaalsContact CB-O 3.26Å; L155-E179 WeakPolarHBondContact CB-O 3.01Å; R156-E179 HydrophobicContact CB-CB 4.29Å; R156-E179 IonicContact CZ-OE1 2.77Å; R156-E179 IonicContact CZ-OE2 3.72Å; R156-E179 PolarHBondContact N-O 2.87Å; R156-E179 IonicContact NE-OE1 2.63Å; R156-E179 PolarHBondContact NE-OE1 3.03Å; R156-E179 IonicContact NE-OE2 3.08Å; R156-E179 PolarHBondContact NE-OE2 3.09Å; R156-E179 IonicContact NH2-OE1 2.7Å; R156-E179 PolarHBondContact NH2-OE1 3.06Å; R156-E179 IonicContact NH2-OE2 3.17Å; R156-E179 PolarHBondContact NH2-OE2 3.08Å; R156-E179 WeakPolarHBondContact O-CB 3.28Å; R156-E179 PolarHBondContact O-N 3.17Å; Q158-E179 PolarHBondContact NE2-OE2 2.92Å; E179-L181 VanDerWaalsContact OE1-CD2 3.28Å; E179-L181 WeakPolarHBondContact OE1-CD2 3.42Å
180K90.7Very high75.4Confident134 Ų13480.5 Ų80.558%0.58339%0.39SS*.EExtended strand (participates in β ladder)trans-103.4102.6-171.7-172.3-172.3179.1-173.10111.1L155 T183L155-K180 HydrophobicContact CD2-CB 4.18Å; L155-K180 HydrophobicContact CD2-CG 4.35Å; K180-T183 WeakPolarHBondContact CE-OG1 3.32Å; K180-T183 PolarHBondContact NZ-OG1 2.92Å
181L91Very high74.3Confident45 Ų4576.9 Ų76.924%0.23638%0.383CS..EExtended strand (participates in β ladder)trans-74.8-38.4179.5-59.2-178.4000112.5L154 R156 E179 L208 L221L154-L181 HydrophobicContact CD2-CD1 3.99Å; L154-L181 HydrophobicContact CG-CD1 4.3Å; L154-L181 WeakPolarHBondContact O-CB 3.07Å; L154-L181 PolarHBondContact O-N 2.83Å; R156-L181 HydrophobicContact CB-CD1 4.05Å; R156-L181 HydrophobicContact CB-CD2 4.09Å; R156-L181 HydrophobicContact CB-CG 3.99Å; E179-L181 VanDerWaalsContact OE1-CD2 3.28Å; E179-L181 WeakPolarHBondContact OE1-CD2 3.42Å; L181-L208 HydrophobicContact CD1-CD2 3.98Å; L181-L221 HydrophobicContact CD1-CD2 3.82Å
182W92.7Very high72.8Confident29 Ų2977.9 Ų77.911%0.1139%0.394CS..EExtended strand (participates in β ladder)trans-162.1158.6-174.6175.572.4000114.2Y120 L152 S153 L154 I204 L206Y120-W182 HydrophobicContact CD1-CH2 4.01Å; Y120-W182 AromaticContact CE1-CH2 3.57Å; Y120-W182 HydrophobicContact CE1-CH2 3.57Å; Y120-W182 AromaticContact CE1-CZ2 3.98Å; Y120-W182 HydrophobicContact CE1-CZ2 3.98Å; Y120-W182 HydrophobicContact CE2-CH2 4.14Å; Y120-W182 HydrophobicContact CG-CH2 4.47Å; Y120-W182 AromaticContact CZ-CH2 3.64Å; Y120-W182 AromaticContact CZ-CZ2 3.92Å; L152-W182 HydrophobicContact CB-CZ3 4.43Å; L152-W182 HydrophobicContact CD2-CZ3 4.19Å; L152-W182 HydrophobicContact CG-CZ3 4.1Å; S153-W182 CarbonylContact C-O 3.55Å; S153-W182 WeakPolarHBondContact CA-O 3.24Å; S153-W182 VanDerWaalsContact CB-O 3.3Å; S153-W182 WeakPolarHBondContact CB-O 3.49Å; L154-W182 HydrophobicContact CB-CB 4.47Å; L154-W182 HydrophobicContact CB-CE3 4.48Å; L154-W182 PolarHBondContact N-O 3.48Å; L154-W182 PolarHBondContact O-N 3.49Å; L154-W182 VanDerWaalsContact O-N 3.15Å; W182-I204 HydrophobicContact CD2-CD1 3.39Å; W182-I204 HydrophobicContact CE3-CD1 4.08Å; W182-I204 HydrophobicContact CG-CD1 3.64Å; W182-I204 HydrophobicContact CH2-CD1 4.15Å; W182-I204 HydrophobicContact CH2-CG2 4.27Å; W182-I204 HydrophobicContact CZ2-CD1 3.47Å; W182-I204 VanDerWaalsContact CZ2-CD1 3.47Å; W182-I204 HydrophobicContact CZ3-CD1 4.43Å; W182-I204 HydrophobicContact CZ3-CG2 4.41Å; W182-L206 HydrophobicContact CB-CD1 3.63Å; W182-L206 HydrophobicContact CB-CD2 3.99Å; W182-L206 HydrophobicContact CB-CG 4.48Å; W182-L206 HydrophobicContact CD2-CD1 4.43Å; W182-L206 HydrophobicContact CG-CD1 4.03Å; W182-L206 HydrophobicContact CG-CD2 4.26Å
183T91.3Very high71.5Confident28 Ų2875.5 Ų75.517%0.17238%0.382CS..EExtended strand (participates in β ladder)trans-139.3144.8162-69.40000110.8K151 L152 S153 K180 D185K151-T183 HydrophobicContact CB-CG2 3.92Å; K151-T183 HydrophobicContact CD-CG2 4.49Å; L152-T183 CarbonylContact O-C 3.55Å; L152-T183 VanDerWaalsContact O-CA 3.29Å; L152-T183 WeakPolarHBondContact O-CA 3.43Å; S153-T183 PolarHBondContact OG-OG1 3.4Å; K180-T183 WeakPolarHBondContact CE-OG1 3.32Å; K180-T183 PolarHBondContact NZ-OG1 2.92Å; T183-D185 PolarHBondContact O-N 2.83Å
184S88.2Confident70.2Confident3 Ų375.8 Ų75.82%0.02138%0.38CS..  trans-53.9114.5173.258.80000114.1K151 L152K151-S184 WeakPolarHBondContact CA-OG 3.33Å; L152-S184 PolarHBondContact N-OG 3.13Å; L152-S184 PolarHBondContact O-N 2.99Å; L152-S184 PolarHBondContact O-OG 3.13Å
185D74.8Confident68.7Low108 Ų10876.2 Ų76.258%0.57838%0.382SS*.  trans-71.7135.3174.1-64.8-67.8000112.8T183 S187T183-D185 PolarHBondContact O-N 2.83Å; D185-S187 PolarHBondContact O-N 3.42Å
186Y64.5Low67Low42 Ų4276.2 Ų76.217%0.16539%0.387CS..  trans-88.138.4176.8-57.7-66.9000112.9G146 L149 P150 K151 F188G146-Y186 WeakPolarHBondContact O-CE2 3.44Å; G146-Y186 PolarHBondContact O-OH 3.34Å; L149-Y186 HydrophobicContact CB-CD1 4.1Å; L149-Y186 HydrophobicContact CB-CD2 4.47Å; L149-Y186 HydrophobicContact CB-CE1 3.47Å; L149-Y186 VanDerWaalsContact CB-CE1 3.47Å; L149-Y186 HydrophobicContact CB-CE2 3.89Å; L149-Y186 VanDerWaalsContact CB-OH 3.26Å; L149-Y186 WeakPolarHBondContact CB-OH 3.48Å; L149-Y186 HydrophobicContact CD1-CD1 3.82Å; L149-Y186 HydrophobicContact CD1-CD2 4.04Å; L149-Y186 HydrophobicContact CD1-CE1 4.09Å; L149-Y186 HydrophobicContact CD1-CE2 4.28Å; L149-Y186 HydrophobicContact CD1-CG 3.76Å; L149-Y186 HydrophobicContact CG-CE1 4.36Å; L149-Y186 PolarHBondContact O-OH 3.42Å; P150-Y186 WeakPolarHBondContact O-CE1 3.28Å; P150-Y186 PolarHBondContact O-OH 3.27Å; K151-Y186 WeakPolarHBondContact CA-OH 3.36Å; K151-Y186 WeakPolarHBondContact CB-OH 3.25Å; K151-Y186 PolarHBondContact N-OH 3Å; Y186-F188 VanDerWaalsContact C-N 3.33Å; Y186-F188 WeakPolarHBondContact O-CD2 3.41Å; Y186-F188 PolarHBondContact O-N 2.67Å
187S48.7Very low65.4Low56 Ų5679.7 Ų79.739%0.39241%0.411SS..  trans-72.187.117341.50000110.5D185D185-S187 PolarHBondContact O-N 3.42Å
188F50.7Low64Low77 Ų7776.3 Ų76.334%0.33840%0.397SS..  trans-79.6114.2160.1-54.2-76.1000107.4Y124 Y186 T190 E193 L194Y124-F188 WeakPolarHBondContact OH-CZ 3.43Å; Y186-F188 VanDerWaalsContact C-N 3.33Å; Y186-F188 WeakPolarHBondContact O-CD2 3.41Å; Y186-F188 PolarHBondContact O-N 2.67Å; F188-T190 VanDerWaalsContact C-N 3.25Å; F188-T190 PolarHBondContact O-N 2.84Å; F188-E193 HydrophobicContact CD1-CB 4.29Å; F188-L194 HydrophobicContact CD1-CD1 4.17Å; F188-L194 HydrophobicContact CD2-CD1 3.57Å; F188-L194 HydrophobicContact CE1-CD1 4.27Å; F188-L194 HydrophobicContact CE2-CD1 3.66Å; F188-L194 HydrophobicContact CG-CD1 3.86Å; F188-L194 HydrophobicContact CZ-CD1 4.06Å
189H43.2Very low62.8Low162 Ų16274.9 Ų74.975%0.7539%0.39SS*.SBendtrans-73.3-20.2177.2-76.4-71.8000112.1E193H189-E193 WeakPolarHBondContact CA-OE2 3.44Å; H189-E193 WeakPolarHBondContact CB-OE2 3.41Å; H189-E193 PolarHBondContact N-OE2 2.65Å
190T46.6Very low62.1Low72 Ų7277.3 Ų77.344%0.44241%0.405SS..SBendtrans-140.4156172.868.10000113.5F188 N192 E193F188-T190 VanDerWaalsContact C-N 3.25Å; F188-T190 PolarHBondContact O-N 2.84Å; T190-N192 PolarHBondContact O-N 3.02Å; T190-N192 PolarHBondContact OG1-N 3.25Å; T190-E193 PolarHBondContact N-OE2 3.24Å; T190-E193 PolarHBondContact O-N 3.08Å; T190-E193 VanDerWaalsContact O-N 3.15Å; T190-E193 PolarHBondContact OG1-N 2.98Å; T190-E193 VanDerWaalsContact OG1-N 3.13Å
191Q48.1Very low61.9Low162 Ų16273.5 Ų73.576%0.75739%0.387SS*.Hα-helixtrans-60.4-24.8166.3-73.5-177.8-22.200112.6L194 L195Q191-L194 PolarHBondContact O-N 3.15Å; Q191-L195 WeakPolarHBondContact O-CG 3.26Å; Q191-L195 PolarHBondContact O-N 3.49Å
192N44.2Very low61.7Low123 Ų12375.3 Ų75.366%0.65839%0.393SS*.Hα-helixtrans-68.2-33.7175.4-74.60.9000111.9T190 L195 S196T190-N192 PolarHBondContact O-N 3.02Å; T190-N192 PolarHBondContact OG1-N 3.25Å; N192-L195 CarbonylContact O-C 3.56Å; N192-L195 PolarHBondContact O-N 3.47Å; N192-S196 VanDerWaalsContact O-CB 3.28Å; N192-S196 WeakPolarHBondContact O-CB 3.44Å; N192-S196 PolarHBondContact O-N 3.33Å; N192-S196 PolarHBondContact O-OG 2.77Å
193E51.5Low61.6Low77 Ų7777.8 Ų77.836%0.3641%0.411SS..Hα-helixtrans-67.6-37.9173.3-71.9171.113400111.9F188 H189 T190 L195 S196F188-E193 HydrophobicContact CD1-CB 4.29Å; H189-E193 WeakPolarHBondContact CA-OE2 3.44Å; H189-E193 WeakPolarHBondContact CB-OE2 3.41Å; H189-E193 PolarHBondContact N-OE2 2.65Å; T190-E193 PolarHBondContact N-OE2 3.24Å; T190-E193 PolarHBondContact O-N 3.08Å; T190-E193 VanDerWaalsContact O-N 3.15Å; T190-E193 PolarHBondContact OG1-N 2.98Å; T190-E193 VanDerWaalsContact OG1-N 3.13Å; E193-L195 PolarHBondContact O-N 2.99Å; E193-S196 WeakPolarHBondContact CA-OG 2.99Å; E193-S196 PolarHBondContact O-N 2.72Å; E193-S196 PolarHBondContact O-OG 3.3Å
194L49Very low61.5Low51 Ų5177.6 Ų77.627%0.26741%0.409SS..Hα-helixtrans-66.5-22.8175.3-16281.8000113S126 F188 Q191S126-L194 PolarHBondContact OG-O 3.26Å; F188-L194 HydrophobicContact CD1-CD1 4.17Å; F188-L194 HydrophobicContact CD2-CD1 3.57Å; F188-L194 HydrophobicContact CE1-CD1 4.27Å; F188-L194 HydrophobicContact CE2-CD1 3.66Å; F188-L194 HydrophobicContact CG-CD1 3.86Å; F188-L194 HydrophobicContact CZ-CD1 4.06Å; Q191-L194 PolarHBondContact O-N 3.15Å
195L45Very low61.7Low112 Ų11279.9 Ų79.959%0.58642%0.423SS*.Hα-helixtrans-100.6-20.9179.7-72.6168.7000113.3Q191 N192 E193Q191-L195 WeakPolarHBondContact O-CG 3.26Å; Q191-L195 PolarHBondContact O-N 3.49Å; N192-L195 CarbonylContact O-C 3.56Å; N192-L195 PolarHBondContact O-N 3.47Å; E193-L195 PolarHBondContact O-N 2.99Å
196S45.5Very low62.5Low48 Ų4876.3 Ų76.334%0.33640%0.403SS..  trans-81.1126.6175.468.20000110.4N192 E193 I198N192-S196 VanDerWaalsContact O-CB 3.28Å; N192-S196 WeakPolarHBondContact O-CB 3.44Å; N192-S196 PolarHBondContact O-N 3.33Å; N192-S196 PolarHBondContact O-OG 2.77Å; E193-S196 WeakPolarHBondContact CA-OG 2.99Å; E193-S196 PolarHBondContact O-N 2.72Å; E193-S196 PolarHBondContact O-OG 3.3Å; S196-I198 PolarHBondContact O-N 3.13Å
197S47.7Very low63.7Low105 Ų10577.9 Ų77.973%0.73442%0.42SS*.  trans-69.48.4168.950.60000113.8S199S197-S199 VanDerWaalsContact C-N 3.29Å; S197-S199 PolarHBondContact O-N 2.8Å
198I52.6Low65.6Low62 Ų6275.2 Ų75.232%0.31840%0.402SS..  trans-84.177.3-173.7-52.8175000108.6M73 S196 L200M73-I198 HydrophobicContact CE-CD1 4.25Å; M73-I198 HydrophobicContact CE-CG2 4.15Å; M73-I198 HydrophobicContact CG-CD1 4.34Å; M73-I198 HydrophobicContact SD-CD1 3.82Å; S196-I198 PolarHBondContact O-N 3.13Å; I198-L200 HydrophobicContact CG2-CD2 4Å; I198-L200 HydrophobicContact CG2-CG 4.34Å; I198-L200 PolarHBondContact O-N 3.28Å
199S63.9Low67.1Low17 Ų1774.6 Ų74.612%0.11940%0.402CS..  trans-67.797.7175.4600000110.4N121 Q123 S197N121-S199 PolarHBondContact ND2-O 3.37Å; N121-S199 VanDerWaalsContact OD1-C 3.26Å; N121-S199 WeakPolarHBondContact OD1-CB 3.46Å; N121-S199 PolarHBondContact OD1-O 3.32Å; Q123-S199 VanDerWaalsContact CG-OG 3.24Å; Q123-S199 WeakPolarHBondContact CG-OG 3.27Å; Q123-S199 PolarHBondContact NE2-OG 3.28Å; S197-S199 VanDerWaalsContact C-N 3.29Å; S197-S199 PolarHBondContact O-N 2.8Å
200L74.8Confident68.3Low111 Ų11170.4 Ų70.458%0.58139%0.385SS*.PPolyproline II helixtrans-80.2133.7179.6-67177000111N121 I198 K202N121-L200 PolarHBondContact OD1-O 2.04Å; I198-L200 HydrophobicContact CG2-CD2 4Å; I198-L200 HydrophobicContact CG2-CG 4.34Å; I198-L200 PolarHBondContact O-N 3.28Å; L200-K202 PolarHBondContact O-N 3.15Å
201W85.3Confident69.1Low54 Ų5472.4 Ų72.421%0.20540%0.402CS..PPolyproline II helixtrans-59.5119.4168.9-71100000110.3V76 R78 I119 Y120 N121 C237 D239V76-W201 PolarHBondContact O-NE1 3.44Å; R78-W201 HydrophobicContact CB-CZ2 4.16Å; R78-W201 HydrophobicContact CG-CZ2 4.35Å; I119-W201 HydrophobicContact CG2-CB 3.93Å; I119-W201 HydrophobicContact CG2-CD2 4.45Å; I119-W201 HydrophobicContact CG2-CE3 3.88Å; Y120-W201 CarbonylContact O-C 3.43Å; Y120-W201 WeakPolarHBondContact O-CA 3.26Å; N121-W201 HydrophobicContact CB-CD2 3.74Å; N121-W201 HydrophobicContact CB-CE3 3.6Å; N121-W201 HydrophobicContact CB-CG 4.3Å; N121-W201 HydrophobicContact CB-CH2 4.26Å; N121-W201 HydrophobicContact CB-CZ2 4.4Å; N121-W201 HydrophobicContact CB-CZ3 3.87Å; W201-C237 HydrophobicContact CH2-CB 3.73Å; W201-C237 HydrophobicContact CZ3-CB 4.14Å; W201-D239 HydrophobicContact CE3-CB 4.34Å; W201-D239 HydrophobicContact CH2-CB 3.96Å; W201-D239 HydrophobicContact CZ3-CB 3.65Å
202K88Confident69.6Low82 Ų8271.5 Ų71.536%0.35740%0.402SS..EExtended strand (participates in β ladder)trans-102.8136.5175.1-67.2-174.9177.4-172.10109.4I119 Y120 L200I119-K202 CarbonylContact C-O 3.58Å; I119-K202 WeakPolarHBondContact CA-O 3.22Å; I119-K202 WeakPolarHBondContact CG2-O 3.43Å; Y120-K202 HydrophobicContact CD1-CB 4.22Å; Y120-K202 VanDerWaalsContact CD1-O 3.24Å; Y120-K202 WeakPolarHBondContact CD1-O 3.29Å; Y120-K202 HydrophobicContact CE1-CB 3.67Å; Y120-K202 HydrophobicContact CE2-CB 4.11Å; Y120-K202 HydrophobicContact CE2-CD 4.21Å; Y120-K202 PolarHBondContact N-O 3.46Å; Y120-K202 PolarHBondContact O-N 3.02Å; Y120-K202 WeakPolarHBondContact OH-CD 3.19Å; L200-K202 PolarHBondContact O-N 3.15Å
203T89.3Confident70.6Confident81 Ų8170.6 Ų70.650%0.49739%0.394SS..EExtended strand (participates in β ladder)trans-96.5141.6171.1-55.20000109.7Q117 I119Q117-T203 HydrophobicContact CG-CG2 3.72Å; I119-T203 HydrophobicContact CG1-CG2 4.4Å
204I90.9Very high71.1Confident25 Ų2575.2 Ų75.213%0.12842%0.415CS..EExtended strand (participates in β ladder)trans-127.3151.7168.1-177.1165.9000110.9Q117 L118 Y120 W182 L206Q117-I204 VanDerWaalsContact CA-O 3.28Å; Q117-I204 WeakPolarHBondContact CA-O 3.4Å; Q117-I204 WeakPolarHBondContact CG-O 3.15Å; L118-I204 HydrophobicContact CD1-CG2 3.62Å; L118-I204 HydrophobicContact CG-CG2 3.78Å; L118-I204 PolarHBondContact N-O 2.82Å; L118-I204 PolarHBondContact O-N 3.25Å; Y120-I204 HydrophobicContact CD1-CG2 4.07Å; Y120-I204 HydrophobicContact CE1-CB 4.22Å; Y120-I204 HydrophobicContact CE1-CG2 4.06Å; W182-I204 HydrophobicContact CD2-CD1 3.39Å; W182-I204 HydrophobicContact CE3-CD1 4.08Å; W182-I204 HydrophobicContact CG-CD1 3.64Å; W182-I204 HydrophobicContact CH2-CD1 4.15Å; W182-I204 HydrophobicContact CH2-CG2 4.27Å; W182-I204 HydrophobicContact CZ2-CD1 3.47Å; W182-I204 VanDerWaalsContact CZ2-CD1 3.47Å; W182-I204 HydrophobicContact CZ3-CD1 4.43Å; W182-I204 HydrophobicContact CZ3-CG2 4.41Å; I204-L206 HydrophobicContact CD1-CD1 4Å; I204-L206 HydrophobicContact CD1-CD2 4.03Å; I204-L206 HydrophobicContact CD1-CG 3.92Å; I204-L206 HydrophobicContact CG1-CD1 4.38Å; I204-L206 HydrophobicContact CG1-CD2 4.46Å; I204-L206 HydrophobicContact CG1-CG 4.01Å
205T91.8Very high72.1Confident51 Ų5173.2 Ų73.231%0.31341%0.405SS..EExtended strand (participates in β ladder)trans-134.8128.7176.5-60.50000108.4C115 I116 Q117 C248 L251C115-T205 WeakPolarHBondContact SG-CG2 3.21Å; I116-T205 CarbonylContact O-C 3.57Å; I116-T205 WeakPolarHBondContact O-CA 3.24Å; Q117-T205 PolarHBondContact NE2-OG1 2.83Å; T205-C248 HydrophobicContact CG2-CB 3.93Å; T205-L251 HydrophobicContact CG2-CD2 4Å
206L91.3Very high73.4Confident32 Ų3274.3 Ų74.317%0.16841%0.41CS..EExtended strand (participates in β ladder)trans-134.4134.5-170.3-73.1166.5000111.3C115 I116 L154 W182 I204 C248C115-L206 WeakPolarHBondContact CA-O 3.23Å; I116-L206 HydrophobicContact CG2-CB 4Å; I116-L206 PolarHBondContact N-O 2.91Å; I116-L206 PolarHBondContact O-N 2.82Å; L154-L206 HydrophobicContact CB-CD1 4.38Å; L154-L206 HydrophobicContact CD2-CD1 3.64Å; W182-L206 HydrophobicContact CB-CD1 3.63Å; W182-L206 HydrophobicContact CB-CD2 3.99Å; W182-L206 HydrophobicContact CB-CG 4.48Å; W182-L206 HydrophobicContact CD2-CD1 4.43Å; W182-L206 HydrophobicContact CG-CD1 4.03Å; W182-L206 HydrophobicContact CG-CD2 4.26Å; I204-L206 HydrophobicContact CD1-CD1 4Å; I204-L206 HydrophobicContact CD1-CD2 4.03Å; I204-L206 HydrophobicContact CD1-CG 3.92Å; I204-L206 HydrophobicContact CG1-CD1 4.38Å; I204-L206 HydrophobicContact CG1-CD2 4.46Å; I204-L206 HydrophobicContact CG1-CG 4.01Å; L206-C248 PolarHBondContact O-SG 3.24Å
207S90.8Very high75.2Confident75 Ų7574.4 Ų74.452%0.52441%0.408SS..EExtended strand (participates in β ladder)trans-75.7124172.447.30000110.1C248S207-C248 VanDerWaalsContact CA-SG 3.58Å; S207-C248 PolarHBondContact N-SG 2.97Å
208L87.6Confident77.2Confident1 Ų171.6 Ų71.61%0.00539%0.385CS..SBendtrans-83.6-20.8177.5-66.2-176.6000112.9P113 S114 I116 R156 L181 L221P113-L208 HydrophobicContact CB-CD1 4.08Å; P113-L208 HydrophobicContact CG-CD1 3.87Å; S114-L208 PolarHBondContact O-N 2.82Å; I116-L208 HydrophobicContact CB-CD1 4.22Å; I116-L208 HydrophobicContact CB-CD2 4.35Å; I116-L208 HydrophobicContact CB-CG 4.27Å; I116-L208 HydrophobicContact CG2-CD1 4.47Å; I116-L208 HydrophobicContact CG2-CD2 3.71Å; I116-L208 HydrophobicContact CG2-CG 4.06Å; R156-L208 PolarHBondContact NH1-O 3.04Å; L181-L208 HydrophobicContact CD1-CD2 3.98Å; L208-L221 HydrophobicContact CD1-CD1 4.22Å; L208-L221 HydrophobicContact CD2-CD1 4.01Å; L208-L221 HydrophobicContact CD2-CD2 3.94Å
209I82.8Confident79Confident64 Ų6468.8 Ų68.833%0.32837%0.371SS..SBendtrans-107.9120.5178.5-51.2176.7000107.6Q112Q112-I209 HydrophobicContact CG-CD1 4.31Å
210D68.5Low80.3Confident74 Ų7471.3 Ų71.340%0.39638%0.379SS..  trans-80.7138.9165-168.8-37.3000108.6N212 E213D210-N212 PolarHBondContact O-N 3.07Å; D210-N212 VanDerWaalsContact O-N 3.14Å; D210-N212 PolarHBondContact OD1-N 2.84Å; D210-N212 PolarHBondContact OD1-ND2 2.9Å; D210-E213 HydrophobicContact CB-CB 4.15Å; D210-E213 HydrophobicContact CB-CG 4.5Å; D210-E213 PolarHBondContact O-N 2.89Å
211S61.6Low81.3Confident114 Ų11466 Ų6680%0.79735%0.352SS*.SBendtrans-46.2-29.8165.752.10000115.9
212N60.2Low81.7Confident142 Ų14263.5 Ų63.576%0.75934%0.342SS*.SBendtrans-110-19-173.1-58.8-65.2000114.2D210D210-N212 PolarHBondContact O-N 3.07Å; D210-N212 VanDerWaalsContact O-N 3.14Å; D210-N212 PolarHBondContact OD1-N 2.84Å; D210-N212 PolarHBondContact OD1-ND2 2.9Å
213E64.2Low82.1Confident105 Ų10559.6 Ų59.649%0.49133%0.325SS..  trans-106.2108.7-179.9-65.7-159.5150.700112R156 D210 I215R156-E213 IonicContact NH2-OE2 2.74Å; R156-E213 PolarHBondContact NH2-OE2 2.96Å; R156-E213 VanDerWaalsContact NH2-OE2 3.17Å; D210-E213 HydrophobicContact CB-CB 4.15Å; D210-E213 HydrophobicContact CB-CG 4.5Å; D210-E213 PolarHBondContact O-N 2.89Å; E213-I215 PolarHBondContact O-N 2.7Å; E213-I215 VanDerWaalsContact O-N 3.12Å
214Q62.3Low82.3Confident174 Ų17457.2 Ų57.281%0.81331%0.309SS*.  trans-72.7103.6167.3-173.1169.52200109.5I216Q214-I216 WeakPolarHBondContact O-CG1 3.48Å; Q214-I216 PolarHBondContact O-N 2.84Å
215I69.1Low82.4Confident8 Ų856 Ų564%0.04130%0.302CS..  trans-54.9130.1163.4-53.9173.3000107.6I109 E213 T217 Y219I109-I215 WeakPolarHBondContact CD1-O 3.38Å; E213-I215 PolarHBondContact O-N 2.7Å; E213-I215 VanDerWaalsContact O-N 3.12Å; I215-T217 WeakPolarHBondContact CG2-O 3.11Å; I215-Y219 HydrophobicContact CD1-CE1 3.94Å; I215-Y219 HydrophobicContact CG2-CD1 3.97Å; I215-Y219 HydrophobicContact CG2-CE1 4.17Å
216I72.5Confident82.4Confident136 Ų13654.5 Ų54.570%0.69729%0.293SS*.  trans-112.3-20.8-174.3-41.3-175.6000112.2Q214Q214-I216 WeakPolarHBondContact O-CG1 3.48Å; Q214-I216 PolarHBondContact O-N 2.84Å
217T84.1Confident82.3Confident50 Ų5053 Ų5331%0.30729%0.285SS..SBendtrans-130.5155.8-178.359.70000112.1M159 I215M159-T217 WeakPolarHBondContact O-CB 3.47Å; M159-T217 PolarHBondContact O-OG1 3.26Å; I215-T217 WeakPolarHBondContact CG2-O 3.11Å
218D88.7Confident82Confident46 Ų4649.7 Ų49.725%0.24626%0.262CS..  trans-54.1149.1170-65.4-6.6000110.7I106 I107 S108 I109 M159I106-D218 HydrophobicContact CG2-CB 3.91Å; I107-D218 WeakPolarHBondContact O-CA 3.46Å; S108-D218 WeakPolarHBondContact CA-OD1 3.41Å; S108-D218 PolarHBondContact OG-OD1 3.47Å; S108-D218 PolarHBondContact OG-OD2 2.92Å; I109-D218 WeakPolarHBondContact CG2-OD1 3.4Å; I109-D218 PolarHBondContact N-OD1 3.06Å; M159-D218 WeakPolarHBondContact CB-O 3.09Å; M159-D218 PolarHBondContact N-O 3.22Å; M159-D218 HydrophobicContact SD-CB 4.45Å
219Y90.9Very high81.6Confident3 Ų351.4 Ų51.41%0.01228%0.276CS..EExtended strand (participates in β ladder)trans-143166.1-173.363-86.8000113.1I107 Q112 R156 R157 I215 L221I107-Y219 HydrophobicContact CB-CD2 4.36Å; I107-Y219 HydrophobicContact CB-CE1 4.29Å; I107-Y219 HydrophobicContact CB-CE2 4.14Å; I107-Y219 HydrophobicContact CD1-CD2 3.96Å; I107-Y219 HydrophobicContact CD1-CE2 3.43Å; I107-Y219 VanDerWaalsContact CD1-CE2 3.43Å; I107-Y219 HydrophobicContact CG1-CE2 4.39Å; I107-Y219 HydrophobicContact CG2-CE1 3.95Å; I107-Y219 HydrophobicContact CG2-CE2 4.26Å; I107-Y219 PolarHBondContact N-O 2.93Å; I107-Y219 PolarHBondContact O-N 3.45Å; Q112-Y219 HydrophobicContact CB-CE1 4.31Å; R156-Y219 HydrophobicContact CG-CD2 3.77Å; R156-Y219 HydrophobicContact CG-CE2 4.31Å; R156-Y219 HydrophobicContact CG-CG 4.16Å; R157-Y219 VanDerWaalsContact O-CA 3.32Å; R157-Y219 WeakPolarHBondContact O-CA 3.36Å; R157-Y219 WeakPolarHBondContact O-CB 3.29Å; I215-Y219 HydrophobicContact CD1-CE1 3.94Å; I215-Y219 HydrophobicContact CG2-CD1 3.97Å; I215-Y219 HydrophobicContact CG2-CE1 4.17Å; Y219-L221 HydrophobicContact CD2-CD2 4.37Å; Y219-L221 HydrophobicContact CE2-CD2 4.08Å; Y219-L221 HydrophobicContact CE2-CG 4.28Å
220K92.5Very high81.3Confident70 Ų7049.4 Ų49.430%0.30427%0.271SS..EExtended strand (participates in β ladder)trans-114.9147.6165.5-71.9-164.6168.1-141.60110.7F103 S104 I106 R157F103-K220 HydrophobicContact CB-CD 4.37Å; F103-K220 HydrophobicContact CD1-CD 4.4Å; S104-K220 WeakPolarHBondContact O-CD 3.39Å; S104-K220 WeakPolarHBondContact O-CE 3.49Å; S104-K220 PolarHBondContact O-NZ 3.34Å; I106-K220 HydrophobicContact CG1-CD 4.46Å; I106-K220 VanDerWaalsContact CG1-CE 3.43Å; I106-K220 HydrophobicContact CG1-CG 4.24Å; R157-K220 PolarHBondContact N-O 3.3Å; R157-K220 PolarHBondContact O-N 3.48Å
221L94.1Very high81.8Confident0 Ų046.5 Ų46.50%026%0.255CS..EExtended strand (participates in β ladder)trans-89.3147.8162.8-63.7175000109.6W45 S104 I107 I116 L154 L155 L181 L208 Y219W45-L221 HydrophobicContact CH2-CB 4.23Å; S104-L221 PolarHBondContact N-O 3.4Å; S104-L221 PolarHBondContact OG-N 2.94Å; S104-L221 PolarHBondContact OG-O 2.84Å; I107-L221 HydrophobicContact CD1-CD1 3.82Å; I107-L221 HydrophobicContact CD1-CG 3.75Å; I116-L221 HydrophobicContact CD1-CD1 3.58Å; L154-L221 HydrophobicContact CD1-CB 4.3Å; L155-L221 CarbonylContact O-C 3.51Å; L155-L221 WeakPolarHBondContact O-CA 3.47Å; L181-L221 HydrophobicContact CD1-CD2 3.82Å; L208-L221 HydrophobicContact CD1-CD1 4.22Å; L208-L221 HydrophobicContact CD2-CD1 4.01Å; L208-L221 HydrophobicContact CD2-CD2 3.94Å; Y219-L221 HydrophobicContact CD2-CD2 4.37Å; Y219-L221 HydrophobicContact CE2-CD2 4.08Å; Y219-L221 HydrophobicContact CE2-CG 4.28Å
222I94.8Very high82.4Confident0 Ų043.5 Ų43.50%023%0.233CC..EExtended strand (participates in β ladder)trans-129.2121.9177.4-37.7177.8000108.4R101 L102 F103 L154 L155 R157R101-I222 HydrophobicContact CB-CG2 3.9Å; R101-I222 HydrophobicContact CG-CG2 3.89Å; L102-I222 WeakPolarHBondContact O-CA 3.49Å; F103-I222 HydrophobicContact CD1-CB 4.48Å; F103-I222 HydrophobicContact CD1-CD1 4.23Å; F103-I222 HydrophobicContact CD1-CG1 3.81Å; F103-I222 HydrophobicContact CD1-CG2 4.21Å; F103-I222 HydrophobicContact CE1-CD1 3.65Å; F103-I222 HydrophobicContact CE1-CG1 3.77Å; F103-I222 HydrophobicContact CE1-CG2 4.17Å; L154-I222 WeakPolarHBondContact CA-O 3.42Å; L155-I222 HydrophobicContact CB-CB 4.2Å; L155-I222 HydrophobicContact CB-CD1 4.43Å; L155-I222 HydrophobicContact CB-CG1 4.43Å; L155-I222 HydrophobicContact CD1-CB 4.25Å; L155-I222 PolarHBondContact N-O 3.05Å; L155-I222 PolarHBondContact O-N 3.1Å; R157-I222 HydrophobicContact CB-CD1 4.05Å
223L95.7Very high83.2Confident0 Ų041.3 Ų41.30%022%0.221CC..EExtended strand (participates in β ladder)trans-88113.3163.3-72.2166000108.2W45 R101 L102 L118 L152 L154 V238 I241W45-L223 HydrophobicContact CE3-CD1 4.48Å; W45-L223 HydrophobicContact CH2-CD1 4.4Å; W45-L223 HydrophobicContact CZ3-CD1 4.01Å; W45-L223 HydrophobicContact CZ3-CG 4.22Å; R101-L223 CarbonylContact C-O 3.55Å; R101-L223 WeakPolarHBondContact CA-O 3.38Å; L102-L223 HydrophobicContact CB-CB 4.29Å; L102-L223 HydrophobicContact CD2-CD1 4.37Å; L102-L223 PolarHBondContact N-O 2.85Å; L102-L223 PolarHBondContact O-N 2.84Å; L118-L223 HydrophobicContact CD2-CD2 3.85Å; L152-L223 HydrophobicContact CD1-CD2 4.23Å; L154-L223 HydrophobicContact CD1-CD2 3.69Å; L154-L223 HydrophobicContact CD1-CG 4.07Å; L223-V238 HydrophobicContact CD1-CG1 4.13Å; L223-I241 HydrophobicContact CD1-CD1 3.78Å
224E94.7Very high84.1Confident32 Ų3236.4 Ų36.415%0.1520%0.198CC..EExtended strand (participates in β ladder)trans-110.1110.6179.2-175.6172.476.700109.1T99 R101 S153 L155T99-E224 HydrophobicContact CG2-CG 3.5Å; T99-E224 VanDerWaalsContact CG2-CG 3.5Å; R101-E224 HydrophobicContact CG-CB 4.32Å; R101-E224 HydrophobicContact CG-CG 4.16Å; R101-E224 IonicContact CZ-OE2 3.16Å; R101-E224 IonicContact NE-OE2 2.72Å; R101-E224 PolarHBondContact NE-OE2 3.5Å; R101-E224 IonicContact NH2-OE2 2.74Å; R101-E224 PolarHBondContact NH2-OE2 2.98Å; S153-E224 PolarHBondContact N-O 3.44Å; S153-E224 PolarHBondContact O-N 3.16Å; L155-E224 HydrophobicContact CD1-CB 3.44Å; L155-E224 VanDerWaalsContact CD1-CB 3.44Å; L155-E224 HydrophobicContact CD1-CG 4.27Å
225G93Very high85.3Confident0 Ų030.5 Ų30.50%017%0.169CC..EExtended strand (participates in β ladder)trans-101.3125.6174.200000109.7L83 T99 A100 K151L83-G225 VanDerWaalsContact CD2-O 3.23Å; L83-G225 WeakPolarHBondContact CD2-O 3.49Å; T99-G225 CarbonylContact C-O 3.57Å; T99-G225 VanDerWaalsContact CA-O 3.28Å; T99-G225 WeakPolarHBondContact CA-O 3.03Å; A100-G225 PolarHBondContact N-O 3.18Å; A100-G225 PolarHBondContact O-N 2.83Å; K151-G225 WeakPolarHBondContact O-CA 3.44Å
226T90.9Very high86.3Confident18 Ų1830.1 Ų30.111%0.1117%0.167CC..EExtended strand (participates in β ladder)trans-115.9125.4174.5-59.90000109.7I98 T99 P150 K151I98-T226 CarbonylContact O-C 3.54Å; I98-T226 VanDerWaalsContact O-CA 3.28Å; I98-T226 WeakPolarHBondContact O-CA 3.43Å; T99-T226 WeakPolarHBondContact OG1-CG2 3.03Å; T99-T226 PolarHBondContact OG1-OG1 3.36Å; P150-T226 CarbonylContact C-O 3.58Å; P150-T226 VanDerWaalsContact CA-O 3.27Å; P150-T226 WeakPolarHBondContact CA-O 3.45Å; K151-T226 PolarHBondContact N-O 3.49Å; K151-T226 PolarHBondContact O-N 3.42Å
227I88.3Confident87.3Confident0 Ų023.8 Ų23.80%014%0.135CC..EExtended strand (participates in β ladder)trans-110.9110.9168.5-61.2172.1000106.8L83 I85 I98 P150 A234 I236L83-I227 HydrophobicContact CD2-CD1 4.3Å; L83-I227 HydrophobicContact CD2-CG1 4.36Å; L83-I227 HydrophobicContact CG-CD1 3.99Å; I85-I227 HydrophobicContact CD1-CB 4.47Å; I85-I227 HydrophobicContact CD1-CG2 3.77Å; I85-I227 HydrophobicContact CG1-CD1 4.26Å; I98-I227 PolarHBondContact N-O 2.93Å; I98-I227 PolarHBondContact O-N 2.9Å; P150-I227 HydrophobicContact CB-CG1 4.42Å; I227-A234 HydrophobicContact CD1-CB 4.13Å; I227-A234 HydrophobicContact CG1-CB 4.21Å; I227-A234 HydrophobicContact CG2-CB 3.66Å; I227-I236 HydrophobicContact CG1-CD1 4.08Å; I227-I236 HydrophobicContact CG1-CG1 4.35Å
228P85.4Confident87.7Confident6 Ų621.4 Ų21.44%0.03912%0.12CC..  trans-72.3162.917927.8-31.3000112.3D97 L149 Y231D97-P228 WeakPolarHBondContact OD1-CA 3.36Å; D97-P228 WeakPolarHBondContact OD1-CB 3.2Å; L149-P228 WeakPolarHBondContact O-CD 3.45Å; P228-Y231 HydrophobicContact CG-CD2 3.94Å; P228-Y231 HydrophobicContact CG-CE2 4.08Å
229A80.2Confident87.9Confident37 Ų3719.8 Ų19.831%0.30611%0.111SC..THydrogen-bonded Turntrans-53.5145.7175.900000111.9S94 D97S94-A229 WeakPolarHBondContact O-CA 3.29Å; S94-A229 WeakPolarHBondContact O-CB 3.3Å; D97-A229 PolarHBondContact OD1-N 3.4Å
230G76.1Confident87.9Confident22 Ų2221.9 Ų21.923%0.22712%0.123CC..THydrogen-bonded Turntrans89.1-2.8-178.300000116.3P232G230-P232 WeakPolarHBondContact O-CD 3.2Å
231Y77.5Confident88Confident13 Ų1318.6 Ų18.65%0.05111%0.108CC..  trans-114.764.7176.9-64.2-95.3000113.3Y124 K148 L149 P150 P228 D233 A234Y124-Y231 HydrophobicContact CD2-CD1 4.06Å; Y124-Y231 AromaticContact CD2-CE1 3.87Å; Y124-Y231 HydrophobicContact CD2-CE1 3.87Å; Y124-Y231 HydrophobicContact CE2-CE1 4.3Å; Y124-Y231 HydrophobicContact CG-CD1 4.31Å; Y124-Y231 HydrophobicContact CG-CE1 4.47Å; K148-Y231 WeakPolarHBondContact O-CE2 3.48Å; K148-Y231 VanDerWaalsContact O-CZ 3.29Å; K148-Y231 PolarHBondContact O-OH 2.93Å; L149-Y231 HydrophobicContact CD2-CE1 4.47Å; P150-Y231 HydrophobicContact CG-CD1 4.32Å; P150-Y231 HydrophobicContact CG-CG 4.3Å; P228-Y231 HydrophobicContact CG-CD2 3.94Å; P228-Y231 HydrophobicContact CG-CE2 4.08Å; Y231-D233 VanDerWaalsContact C-N 3.26Å; Y231-D233 PolarHBondContact O-N 2.77Å; Y231-A234 WeakPolarHBondContact O-CB 3.28Å; Y231-A234 PolarHBondContact O-N 3.11Å; Y231-A234 VanDerWaalsContact O-N 3.13Å
232P75Confident87.9Confident51 Ų5119.5 Ų19.533%0.33111%0.114SC..THydrogen-bonded Turntrans-62.1-30.7-175.927-35.7000113.8G230G230-P232 WeakPolarHBondContact O-CD 3.2Å
233D77.7Confident87.8Confident96 Ų9620.8 Ų20.851%0.51312%0.123SC..THydrogen-bonded Turntrans-917.3-179.9-62.4-53.8000113.7Y231Y231-D233 VanDerWaalsContact C-N 3.26Å; Y231-D233 PolarHBondContact O-N 2.77Å
234A82.8Confident87.5Confident2 Ų224.6 Ų24.62%0.01714%0.138CC..  trans-71.1140.5177.400000112.4Q123 P150 I227 Y231Q123-A234 CarbonylContact O-C 3.51Å; Q123-A234 VanDerWaalsContact O-CA 3.27Å; Q123-A234 WeakPolarHBondContact O-CA 3.32Å; P150-A234 HydrophobicContact CB-CB 4.32Å; P150-A234 HydrophobicContact CG-CB 3.83Å; I227-A234 HydrophobicContact CD1-CB 4.13Å; I227-A234 HydrophobicContact CG1-CB 4.21Å; I227-A234 HydrophobicContact CG2-CB 3.66Å; Y231-A234 WeakPolarHBondContact O-CB 3.28Å; Y231-A234 PolarHBondContact O-N 3.11Å; Y231-A234 VanDerWaalsContact O-N 3.13Å
235R87Confident87.2Confident50 Ų5028.9 Ų28.919%0.18917%0.166CC..EExtended strand (participates in β ladder)trans-135.9127176.1-173.5-174.5-65.7-174.9-3.4109.1E77 C82 L83 Q123 C237E77-R235 IonicContact OE1-NH1 3.17Å; C82-R235 HydrophobicContact CB-CG 4.16Å; L83-R235 CarbonylContact O-C 3.57Å; L83-R235 WeakPolarHBondContact O-CA 3.49Å; Q123-R235 HydrophobicContact CB-CB 4.28Å; Q123-R235 HydrophobicContact CG-CB 4.26Å; Q123-R235 PolarHBondContact N-O 3Å; Q123-R235 PolarHBondContact O-N 3.45Å; R235-C237 WeakPolarHBondContact CD-SG 3.27Å
236I90.6Very high86.9Confident0 Ų034.4 Ų34.40%019%0.192CC..EExtended strand (participates in β ladder)trans-113.3115.1172.4-57.2179.6000106.9W56 C82 L83 N121 I122 P150 K151 L152 I227W56-I236 HydrophobicContact CH2-CG2 3.97Å; W56-I236 HydrophobicContact CZ3-CG2 4.48Å; W56-I236 WeakPolarHBondContact CZ3-O 3.13Å; C82-I236 CarbonylContact C-O 3.57Å; C82-I236 WeakPolarHBondContact CA-O 3.11Å; L83-I236 HydrophobicContact CB-CB 4.37Å; L83-I236 PolarHBondContact N-O 2.89Å; L83-I236 PolarHBondContact O-N 2.87Å; N121-I236 WeakPolarHBondContact O-CA 3.31Å; I122-I236 HydrophobicContact CG1-CG1 4.33Å; I122-I236 HydrophobicContact CG1-CG2 4.22Å; P150-I236 HydrophobicContact CB-CD1 4.08Å; P150-I236 HydrophobicContact CB-CG1 4.35Å; K151-I236 WeakPolarHBondContact O-CD1 3.47Å; L152-I236 HydrophobicContact CB-CG2 4.07Å; L152-I236 HydrophobicContact CD1-CG2 4.26Å; L152-I236 HydrophobicContact CD2-CG2 4.49Å; I227-I236 HydrophobicContact CG1-CD1 4.08Å; I227-I236 HydrophobicContact CG1-CG1 4.35Å
237C92.4Very high86.7Confident4 Ų437.3 Ų37.33%0.02721%0.211CC..EExtended strand (participates in β ladder)trans-112.8149178-61.80000111.7I81 C82 Y120 N121 W201 R235I81-C237 CarbonylContact O-C 3.5Å; I81-C237 VanDerWaalsContact O-CA 3.29Å; I81-C237 WeakPolarHBondContact O-CA 3.49Å; C82-C237 HydrophobicContact CB-CB 4.14Å; C82-C237 WeakPolarHBondContact CB-SG 3.46Å; C82-C237 WeakPolarHBondContact SG-CB 3.44Å; C82-C237 CovalentContact SG-SG 2.05Å; C82-C237 PolarHBondContact SG-SG 3.15Å; Y120-C237 CarbonylContact C-O 3.58Å; Y120-C237 VanDerWaalsContact CA-O 3.23Å; Y120-C237 WeakPolarHBondContact CA-O 3.35Å; N121-C237 PolarHBondContact N-O 2.82Å; N121-C237 PolarHBondContact O-N 3.31Å; W201-C237 HydrophobicContact CH2-CB 3.73Å; W201-C237 HydrophobicContact CZ3-CB 4.14Å; R235-C237 WeakPolarHBondContact CD-SG 3.27Å
238V93.4Very high86.7Confident0 Ų038.5 Ų38.50%022%0.219CC..EExtended strand (participates in β ladder)trans-130140.8173.5-179.20000109.3F38 W56 S80 I81 L118 I119 L152 L223 I241F38-V238 HydrophobicContact CE2-CG1 4.38Å; W56-V238 HydrophobicContact CH2-CG2 4.07Å; W56-V238 HydrophobicContact CZ3-CG2 4.06Å; S80-V238 WeakPolarHBondContact CA-O 3.17Å; S80-V238 WeakPolarHBondContact CB-O 3.44Å; I81-V238 HydrophobicContact CG2-CB 4.08Å; I81-V238 PolarHBondContact N-O 3.04Å; I81-V238 PolarHBondContact O-N 2.75Å; L118-V238 HydrophobicContact CB-CG1 4.48Å; L118-V238 HydrophobicContact CD1-CG1 4.28Å; I119-V238 CarbonylContact O-C 3.58Å; I119-V238 WeakPolarHBondContact O-CA 3.44Å; L152-V238 HydrophobicContact CD1-CG2 4.36Å; L152-V238 HydrophobicContact CD2-CG2 3.67Å; L223-V238 HydrophobicContact CD1-CG1 4.13Å; V238-I241 HydrophobicContact CG1-CD1 4.18Å; V238-I241 HydrophobicContact CG1-CG1 4.05Å
239D92.4Very high86.7Confident12 Ų1242.3 Ų42.36%0.06425%0.246CC..EExtended strand (participates in β ladder)trans-143155.4-176.7176.531.7000109.8R78 I119 W201 I241R78-D239 WeakPolarHBondContact CD-OD2 3.47Å; R78-D239 IonicContact CZ-OD2 3.74Å; R78-D239 IonicContact NE-OD2 3.82Å; R78-D239 IonicContact NH1-OD2 2.83Å; R78-D239 PolarHBondContact NH1-OD2 3.34Å; I119-D239 HydrophobicContact CB-CB 4.48Å; I119-D239 PolarHBondContact N-O 3.47Å; I119-D239 PolarHBondContact O-N 3.05Å; I119-D239 VanDerWaalsContact O-O 3.08Å; W201-D239 HydrophobicContact CE3-CB 4.34Å; W201-D239 HydrophobicContact CH2-CB 3.96Å; W201-D239 HydrophobicContact CZ3-CB 3.65Å; D239-I241 PolarHBondContact O-N 3.3Å
240N91.5Very high86.7Confident46 Ų4641.9 Ų41.925%0.24624%0.243CC..EExtended strand (participates in β ladder)trans44.861.1170.2-169.642.6000114.4C36 I119C36-N240 WeakPolarHBondContact O-CA 3.37Å; C36-N240 PolarHBondContact O-N 3.41Å; I119-N240 HydrophobicContact CD1-CB 3.92Å; I119-N240 HydrophobicContact CG1-CB 4.17Å
241I94.1Very high86.7Confident1 Ų142.4 Ų42.41%0.00524%0.24CC..EExtended strand (participates in β ladder)trans-71.1129.3168.6-56.6175000107.8E35 C36 F38 W45 I116 Q117 L118 L223 V238 D239E35-I241 CarbonylContact C-O 3.53Å; E35-I241 VanDerWaalsContact CA-O 3.26Å; E35-I241 WeakPolarHBondContact CA-O 3.32Å; C36-I241 PolarHBondContact N-O 3.2Å; C36-I241 PolarHBondContact O-N 2.96Å; F38-I241 HydrophobicContact CE2-CD1 3.74Å; F38-I241 HydrophobicContact CE2-CG1 4.01Å; F38-I241 HydrophobicContact CZ-CD1 3.68Å; F38-I241 HydrophobicContact CZ-CG1 4.42Å; W45-I241 HydrophobicContact CD2-CD1 4.29Å; W45-I241 HydrophobicContact CH2-CD1 4.17Å; W45-I241 HydrophobicContact CZ2-CD1 3.75Å; W45-I241 HydrophobicContact CZ2-CG2 3.94Å; I116-I241 HydrophobicContact CD1-CG2 3.94Å; I116-I241 HydrophobicContact CG1-CG2 4.22Å; Q117-I241 WeakPolarHBondContact O-CA 3.39Å; L118-I241 HydrophobicContact CB-CG1 3.98Å; L223-I241 HydrophobicContact CD1-CD1 3.78Å; V238-I241 HydrophobicContact CG1-CD1 4.18Å; V238-I241 HydrophobicContact CG1-CG1 4.05Å; D239-I241 PolarHBondContact O-N 3.3Å
242T93Very high86.1Confident19 Ų1948.7 Ų48.712%0.11727%0.27CS..EExtended strand (participates in β ladder)trans-139.6145.6-178.644.50000110.3I116 Q117I116-T242 WeakPolarHBondContact CA-O 3.36Å; I116-T242 WeakPolarHBondContact CG1-O 3.34Å; Q117-T242 PolarHBondContact N-O 3.47Å; Q117-T242 PolarHBondContact O-N 2.82Å; Q117-T242 PolarHBondContact O-OG1 3.14Å
243S91.2Very high85.2Confident27 Ų2753.7 Ų53.719%0.18929%0.286CS..EExtended strand (participates in β ladder)trans-131.4134.4-174.659.10000111.9
244Y89.9Confident84Confident81 Ų8153 Ų5332%0.31829%0.294SS..EExtended strand (participates in β ladder)trans-122.4138.1-171.9-55.7-99.7000110.8P113 S114 C115 Q117 E246 L251P113-Y244 WeakPolarHBondContact CB-O 3.39Å; S114-Y244 PolarHBondContact N-O 3.49Å; C115-Y244 PolarHBondContact N-O 3.18Å; C115-Y244 PolarHBondContact O-N 2.99Å; Q117-Y244 HydrophobicContact CB-CE2 4Å; Y244-E246 VanDerWaalsContact C-N 3.3Å; Y244-L251 HydrophobicContact CD1-CD1 4.2Å; Y244-L251 HydrophobicContact CD1-CD2 4.33Å; Y244-L251 HydrophobicContact CD1-CG 4.47Å; Y244-L251 HydrophobicContact CD2-CD1 4.45Å; Y244-L251 HydrophobicContact CD2-CD2 3.74Å; Y244-L251 HydrophobicContact CE1-CD2 4.26Å; Y244-L251 HydrophobicContact CE2-CD2 3.68Å; Y244-L251 HydrophobicContact CG-CD1 4.02Å; Y244-L251 HydrophobicContact CG-CD2 4.08Å; Y244-L251 HydrophobicContact CG-CG 4.49Å
245T88.6Confident82.4Confident121 Ų12157.6 Ų57.674%0.74233%0.326SS*.SBendtrans-73.6-24.417249.40000112.2S114S114-T245 VanDerWaalsContact CB-O 3.25Å; S114-T245 WeakPolarHBondContact CB-O 3.41Å; S114-T245 PolarHBondContact OG-O 3.32Å
246E86.6Confident80.5Confident116 Ų11657.4 Ų57.454%0.54234%0.336SS..SBendtrans-77.5147.1173.3-63.2-170.4176.400112.2S114 C115 Y244 A250S114-E246 WeakPolarHBondContact CB-O 3.27Å; C115-E246 WeakPolarHBondContact CB-O 3.47Å; Y244-E246 VanDerWaalsContact C-N 3.3Å; E246-A250 HydrophobicContact CB-CB 4.06Å; E246-A250 WeakPolarHBondContact OE2-CB 3.48Å
247P87Confident78.1Confident79 Ų7963.5 Ų63.551%0.51338%0.375SS..  trans-66.4150.8175.729.6-36000111.1S249 A250P247-S249 PolarHBondContact O-N 3Å; P247-A250 VanDerWaalsContact O-CB 3.29Å; P247-A250 WeakPolarHBondContact O-CB 3.46Å; P247-A250 PolarHBondContact O-N 3.02Å
248C88.4Confident76Confident25 Ų2568.5 Ų68.517%0.16940%0.401CS..Hα-helixtrans-57.3-28.1-173.3-57.20000114.9C115 T205 L206 S207 A250 L251 E252C115-C248 HydrophobicContact CB-CB 4.12Å; C115-C248 WeakPolarHBondContact CB-SG 3.23Å; C115-C248 WeakPolarHBondContact SG-CA 3.43Å; C115-C248 WeakPolarHBondContact SG-CB 3.48Å; C115-C248 CovalentContact SG-SG 2.04Å; C115-C248 PolarHBondContact SG-SG 3.36Å; T205-C248 HydrophobicContact CG2-CB 3.93Å; L206-C248 PolarHBondContact O-SG 3.24Å; S207-C248 VanDerWaalsContact CA-SG 3.58Å; S207-C248 PolarHBondContact N-SG 2.97Å; C248-A250 PolarHBondContact O-N 3.42Å; C248-A250 VanDerWaalsContact O-N 3.17Å; C248-L251 WeakPolarHBondContact O-CB 3.48Å; C248-L251 PolarHBondContact O-N 2.85Å; C248-E252 PolarHBondContact O-N 2.91Å
249S85.5Confident73.7Confident86 Ų8674.9 Ų74.960%0.60144%0.442SS*.Hα-helixtrans-62.9-16.2174.3-44.70000113.9P247P247-S249 PolarHBondContact O-N 3Å
250A81.3Confident71.8Confident29 Ų2978.4 Ų78.424%0.2447%0.468CS..Hα-helixtrans-77.2-41.5170.600000111.7E246 P247 C248 E252 K253 A254E246-A250 HydrophobicContact CB-CB 4.06Å; E246-A250 WeakPolarHBondContact OE2-CB 3.48Å; P247-A250 VanDerWaalsContact O-CB 3.29Å; P247-A250 WeakPolarHBondContact O-CB 3.46Å; P247-A250 PolarHBondContact O-N 3.02Å; C248-A250 PolarHBondContact O-N 3.42Å; C248-A250 VanDerWaalsContact O-N 3.17Å; A250-E252 PolarHBondContact O-N 2.83Å; A250-K253 WeakPolarHBondContact O-CA 3.22Å; A250-K253 WeakPolarHBondContact O-CB 3.35Å; A250-K253 PolarHBondContact O-N 2.86Å; A250-K253 VanDerWaalsContact O-N 3.08Å; A250-A254 PolarHBondContact O-N 2.82Å; A250-A254 VanDerWaalsContact O-N 3.1Å
251L74.6Confident70Confident32 Ų3285 Ų8517%0.16850%0.497CS..Hα-helixtrans-62.6-42.1176.8-77.970.7000111.5T205 Y244 C248 K253 A254 S255T205-L251 HydrophobicContact CG2-CD2 4Å; Y244-L251 HydrophobicContact CD1-CD1 4.2Å; Y244-L251 HydrophobicContact CD1-CD2 4.33Å; Y244-L251 HydrophobicContact CD1-CG 4.47Å; Y244-L251 HydrophobicContact CD2-CD1 4.45Å; Y244-L251 HydrophobicContact CD2-CD2 3.74Å; Y244-L251 HydrophobicContact CE1-CD2 4.26Å; Y244-L251 HydrophobicContact CE2-CD2 3.68Å; Y244-L251 HydrophobicContact CG-CD1 4.02Å; Y244-L251 HydrophobicContact CG-CD2 4.08Å; Y244-L251 HydrophobicContact CG-CG 4.49Å; C248-L251 WeakPolarHBondContact O-CB 3.48Å; C248-L251 PolarHBondContact O-N 2.85Å; L251-K253 PolarHBondContact O-N 2.84Å; L251-A254 PolarHBondContact O-N 3Å; L251-A254 VanDerWaalsContact O-N 3.09Å; L251-S255 PolarHBondContact O-N 3Å
252E66.4Low68.5Low146 Ų14691.6 Ų91.668%0.68252%0.522SS*.Hα-helixtrans-59.7-33.2174.1-171.1-178.8-175.200112C248 A250 S255C248-E252 PolarHBondContact O-N 2.91Å; A250-E252 PolarHBondContact O-N 2.83Å; E252-S255 PolarHBondContact O-OG 3.05Å; E252-S255 VanDerWaalsContact O-OG 3.05Å
253K54.5Low67.7Low155 Ų15593.3 Ų93.367%0.67454%0.535SS*.Hα-helixtrans-78.1-19.7176.9-127.9169.8-172.8169.70113.9A250 L251A250-K253 WeakPolarHBondContact O-CA 3.22Å; A250-K253 WeakPolarHBondContact O-CB 3.35Å; A250-K253 PolarHBondContact O-N 2.86Å; A250-K253 VanDerWaalsContact O-N 3.08Å; L251-K253 PolarHBondContact O-N 2.84Å
254A53Low66.9Low82 Ų82100.8 Ų100.868%0.67856%0.559SS**Hα-helixtrans-86.2-23177.900000113.3A250 L251A250-A254 PolarHBondContact O-N 2.82Å; A250-A254 VanDerWaalsContact O-N 3.1Å; L251-A254 PolarHBondContact O-N 3Å; L251-A254 VanDerWaalsContact O-N 3.09Å
255S50Low66.3Low98 Ų9899.1 Ų99.169%0.68556%0.562SS**Hα-helixtrans-79.8-19.617864.10000113.6L251 E252 P257L251-S255 PolarHBondContact O-N 3Å; E252-S255 PolarHBondContact O-OG 3.05Å; E252-S255 VanDerWaalsContact O-OG 3.05Å; S255-P257 WeakPolarHBondContact O-CD 3.18Å
256A45.5Very low65.6Low47 Ų4797.7 Ų97.739%0.38855%0.547SS..SBendtrans-82.2118167.300000110.4L258A256-L258 PolarHBondContact O-N 2.83Å
257P40.7Very low65.3Low127 Ų12798.8 Ų98.883%0.82555%0.547SS*.  trans-75.973.4-179.831.7-35.9000111.5S255 P259S255-P257 WeakPolarHBondContact O-CD 3.18Å; P257-P259 VanDerWaalsContact O-CD 3.32Å; P257-P259 WeakPolarHBondContact O-CD 3.46Å
258L47.9Very low65Low109 Ų109101 Ų10157%0.57155%0.549SS*.  trans-70.9114.3173.3-72.2169.8000109.9A256 S260A256-L258 PolarHBondContact O-N 2.83Å; L258-S260 PolarHBondContact O-N 2.05Å
259P45.3Very low64.9Low134 Ų134101.4 Ų101.487%0.8756%0.557SS**THydrogen-bonded Turntrans-82.152-17335.6-36.9000112P257P257-P259 VanDerWaalsContact O-CD 3.32Å; P257-P259 WeakPolarHBondContact O-CD 3.46Å
260S53.9Low64.9Low86 Ų86102 Ų10260%0.60155%0.553SS**THydrogen-bonded Turntrans-14714.4-176.671.30000115.5L258 W262L258-S260 PolarHBondContact O-N 2.05Å; S260-W262 PolarHBondContact O-N 2.89Å; S260-W262 VanDerWaalsContact O-N 3.11Å
261Q54Low65.2Low184 Ų184104.8 Ų104.886%0.8657%0.568SS**  trans-72.3102.516463.9170.9-1.400109.8S263Q261-S263 PolarHBondContact O-N 3.01Å
262W62.4Low65.8Low140 Ų140109.9 Ų109.953%0.5359%0.589SS.*  trans-66.3127.1166.8-7272.1000107.7S260 Q266 Y267 L270S260-W262 PolarHBondContact O-N 2.89Å; S260-W262 VanDerWaalsContact O-N 3.11Å; W262-Q266 VanDerWaalsContact CA-OE1 3.27Å; W262-Q266 HydrophobicContact CE3-CB 3.87Å; W262-Q266 HydrophobicContact CE3-CG 4.45Å; W262-Y267 HydrophobicContact CB-CD2 4.11Å; W262-Y267 HydrophobicContact CB-CE2 3.61Å; W262-Y267 WeakPolarHBondContact O-CE2 3.43Å; W262-L270 HydrophobicContact CE3-CD1 3.87Å; W262-L270 HydrophobicContact CH2-CD1 4.42Å; W262-L270 HydrophobicContact CZ3-CD1 3.69Å
263S74.8Confident67Low55 Ų55106.5 Ų106.539%0.38558%0.578SS.*  trans-66.3152.9-178.376.90000110.4Q261 A265 Q266 Y267Q261-S263 PolarHBondContact O-N 3.01Å; S263-A265 PolarHBondContact O-N 2.6Å; S263-A265 VanDerWaalsContact O-N 3.11Å; S263-Q266 WeakPolarHBondContact O-CA 3.26Å; S263-Q266 WeakPolarHBondContact O-CB 3.2Å; S263-Q266 PolarHBondContact O-N 2.86Å; S263-Q266 PolarHBondContact OG-N 3.28Å; S263-Y267 PolarHBondContact O-N 3.47Å; S263-Y267 VanDerWaalsContact O-N 3.13Å
264W75.2Confident68.6Low184 Ų184100.5 Ų100.570%0.69756%0.56SS**Hα-helixtrans-51.3-39.1176.564-95000111.3Q266 Y267 F268W264-Q266 VanDerWaalsContact C-N 3.3Å; W264-Q266 PolarHBondContact O-N 3.41Å; W264-Y267 WeakPolarHBondContact O-CB 2.79Å; W264-Y267 PolarHBondContact O-N 2.04Å; W264-Y267 VanDerWaalsContact O-N 3.11Å; W264-F268 AromaticContact CE3-CD2 3.83Å; W264-F268 HydrophobicContact CE3-CD2 3.83Å; W264-F268 HydrophobicContact CE3-CE2 4.21Å; W264-F268 HydrophobicContact CZ3-CD2 4.43Å; W264-F268 WeakPolarHBondContact O-CD2 3.07Å; W264-F268 PolarHBondContact O-N 3.4Å
265A75.9Confident70.4Confident47 Ų4799.6 Ų99.639%0.38855%0.552SS.*Hα-helixtrans-62.6-32176.700000113.2S263 G269S263-A265 PolarHBondContact O-N 2.6Å; S263-A265 VanDerWaalsContact O-N 3.11Å; A265-G269 PolarHBondContact O-N 3.08Å
266Q75.5Confident72.3Confident90 Ų9099.3 Ų99.342%0.42154%0.543SS..Hα-helixtrans-74.3-35.1172.8-65.4171.2-39.700112.3W262 S263 W264 G269 L270W262-Q266 VanDerWaalsContact CA-OE1 3.27Å; W262-Q266 HydrophobicContact CE3-CB 3.87Å; W262-Q266 HydrophobicContact CE3-CG 4.45Å; S263-Q266 WeakPolarHBondContact O-CA 3.26Å; S263-Q266 WeakPolarHBondContact O-CB 3.2Å; S263-Q266 PolarHBondContact O-N 2.86Å; S263-Q266 PolarHBondContact OG-N 3.28Å; W264-Q266 VanDerWaalsContact C-N 3.3Å; W264-Q266 PolarHBondContact O-N 3.41Å; Q266-G269 PolarHBondContact O-N 2.79Å; Q266-L270 WeakPolarHBondContact O-CB 3.38Å; Q266-L270 PolarHBondContact O-N 3.4Å
267Y79.7Confident74.5Confident140 Ų140101.6 Ų101.655%0.54955%0.547SS..Hα-helixtrans-63.3-44.6170.6-78.9-78.4000111.6W262 S263 W264 L270 T271W262-Y267 HydrophobicContact CB-CD2 4.11Å; W262-Y267 HydrophobicContact CB-CE2 3.61Å; W262-Y267 WeakPolarHBondContact O-CE2 3.43Å; S263-Y267 PolarHBondContact O-N 3.47Å; S263-Y267 VanDerWaalsContact O-N 3.13Å; W264-Y267 WeakPolarHBondContact O-CB 2.79Å; W264-Y267 PolarHBondContact O-N 2.04Å; W264-Y267 VanDerWaalsContact O-N 3.11Å; Y267-L270 PolarHBondContact O-N 3.47Å; Y267-T271 WeakPolarHBondContact O-CB 3.26Å; Y267-T271 WeakPolarHBondContact O-CG2 3.12Å; Y267-T271 PolarHBondContact O-N 3.17Å; Y267-T271 PolarHBondContact O-OG1 3.12Å
268F81.1Confident76.8Confident125 Ų125100.5 Ų100.555%0.54853%0.534SS..Hα-helixtrans-63.3-39.3172.6-83.6-82.3000112.2W264 T271 F272W264-F268 AromaticContact CE3-CD2 3.83Å; W264-F268 HydrophobicContact CE3-CD2 3.83Å; W264-F268 HydrophobicContact CE3-CE2 4.21Å; W264-F268 HydrophobicContact CZ3-CD2 4.43Å; W264-F268 WeakPolarHBondContact O-CD2 3.07Å; W264-F268 PolarHBondContact O-N 3.4Å; F268-T271 WeakPolarHBondContact CA-OG1 3.27Å; F268-T271 PolarHBondContact O-OG1 3.12Å; F268-F272 WeakPolarHBondContact O-CB 3.41Å; F268-F272 PolarHBondContact O-N 3.37Å
269G85.8Confident78.7Confident33 Ų3397.6 Ų97.634%0.3453%0.53SS..Hα-helixtrans-61-50.7173.400000113.3A265 Q266 F272 V273A265-G269 PolarHBondContact O-N 3.08Å; Q266-G269 PolarHBondContact O-N 2.79Å; G269-F272 PolarHBondContact O-N 2.77Å; G269-V273 WeakPolarHBondContact O-CB 3.28Å; G269-V273 VanDerWaalsContact O-CG2 3.31Å; G269-V273 WeakPolarHBondContact O-CG2 3.48Å; G269-V273 PolarHBondContact O-N 3.14Å
270L86.3Confident80.9Confident99 Ų9996.9 Ų96.952%0.51852%0.519SS..Hα-helixtrans-63.6-42.7179-82.6168000112.4W262 Q266 Y267 G274W262-L270 HydrophobicContact CE3-CD1 3.87Å; W262-L270 HydrophobicContact CH2-CD1 4.42Å; W262-L270 HydrophobicContact CZ3-CD1 3.69Å; Q266-L270 WeakPolarHBondContact O-CB 3.38Å; Q266-L270 PolarHBondContact O-N 3.4Å; Y267-L270 PolarHBondContact O-N 3.47Å; L270-G274 PolarHBondContact O-N 2.9Å
271T86.4Confident82.6Confident88 Ų8897 Ų9754%0.5451%0.512SS..Hα-helixtrans-68.7-39.1177.250.30000112.2Y267 F268 G274 A275Y267-T271 WeakPolarHBondContact O-CB 3.26Å; Y267-T271 WeakPolarHBondContact O-CG2 3.12Å; Y267-T271 PolarHBondContact O-N 3.17Å; Y267-T271 PolarHBondContact O-OG1 3.12Å; F268-T271 WeakPolarHBondContact CA-OG1 3.27Å; F268-T271 PolarHBondContact O-OG1 3.12Å; T271-G274 PolarHBondContact O-N 2.99Å; T271-A275 VanDerWaalsContact O-CB 3.26Å; T271-A275 WeakPolarHBondContact O-CB 3.44Å; T271-A275 PolarHBondContact O-N 2.95Å
272F87.9Confident84.3Confident139 Ų13993.6 Ų93.661%0.6150%0.498SS*.Hα-helixtrans-65.3-44.8174.4-176.5-103.2000112.3F268 G269 A275 L276F268-F272 WeakPolarHBondContact O-CB 3.41Å; F268-F272 PolarHBondContact O-N 3.37Å; G269-F272 PolarHBondContact O-N 2.77Å; F272-A275 PolarHBondContact O-N 2.87Å; F272-L276 HydrophobicContact CD1-CD1 3.92Å; F272-L276 HydrophobicContact CE1-CD1 3.45Å; F272-L276 VanDerWaalsContact CE1-CD1 3.45Å; F272-L276 HydrophobicContact CE1-CG 4.33Å; F272-L276 HydrophobicContact CZ-CD1 3.9Å; F272-L276 HydrophobicContact CZ-CG 4.43Å; F272-L276 PolarHBondContact O-N 3.01Å
273V90.9Very high85.6Confident75 Ų7590.2 Ų90.246%0.45549%0.494SS..Hα-helixtrans-64.9-42.7175.2170.50000111G269 A275 L276 I277G269-V273 WeakPolarHBondContact O-CB 3.28Å; G269-V273 VanDerWaalsContact O-CG2 3.31Å; G269-V273 WeakPolarHBondContact O-CG2 3.48Å; G269-V273 PolarHBondContact O-N 3.14Å; V273-A275 PolarHBondContact O-N 2.82Å; V273-L276 PolarHBondContact O-N 2.74Å; V273-I277 HydrophobicContact CG1-CD1 3.78Å; V273-I277 HydrophobicContact CG1-CG1 4.42Å; V273-I277 WeakPolarHBondContact O-CB 3.42Å; V273-I277 VanDerWaalsContact O-CG1 3.29Å; V273-I277 WeakPolarHBondContact O-CG1 3.33Å; V273-I277 PolarHBondContact O-N 2.77Å
274G89.1Confident86.4Confident29 Ų2991.8 Ų91.830%0.29950%0.501SS..Hα-helixtrans-61.2-41.5174.500000112.9L270 T271 I277 L278L270-G274 PolarHBondContact O-N 2.9Å; T271-G274 PolarHBondContact O-N 2.99Å; G274-I277 PolarHBondContact O-N 3.37Å; G274-L278 WeakPolarHBondContact O-CB 3.38Å; G274-L278 WeakPolarHBondContact O-CG 3.32Å; G274-L278 PolarHBondContact O-N 3.15Å
275A89.8Confident87.1Confident62 Ų6287.3 Ų87.351%0.51249%0.491SS..Hα-helixtrans-66-40.3175.300000112.5T271 F272 V273 G279T271-A275 VanDerWaalsContact O-CB 3.26Å; T271-A275 WeakPolarHBondContact O-CB 3.44Å; T271-A275 PolarHBondContact O-N 2.95Å; F272-A275 PolarHBondContact O-N 2.87Å; V273-A275 PolarHBondContact O-N 2.82Å; A275-G279 PolarHBondContact O-N 2.78Å
276L89.5Confident87.8Confident93 Ų9391.5 Ų91.549%0.48750%0.5SS..Hα-helixtrans-64.3-43.9173-82.5173000112.2F272 V273 G279 L280F272-L276 HydrophobicContact CD1-CD1 3.92Å; F272-L276 HydrophobicContact CE1-CD1 3.45Å; F272-L276 VanDerWaalsContact CE1-CD1 3.45Å; F272-L276 HydrophobicContact CE1-CG 4.33Å; F272-L276 HydrophobicContact CZ-CD1 3.9Å; F272-L276 HydrophobicContact CZ-CG 4.43Å; F272-L276 PolarHBondContact O-N 3.01Å; V273-L276 PolarHBondContact O-N 2.74Å; L276-G279 PolarHBondContact O-N 3.01Å; L276-L280 WeakPolarHBondContact O-CG 3.35Å; L276-L280 PolarHBondContact O-N 2.9Å
277I91.7Very high88.5Confident94 Ų9492 Ų9248%0.48251%0.506SS..Hα-helixtrans-60.6-52.6176.7-71.4168.1000109.7V273 G274 G279 L280 L281V273-I277 HydrophobicContact CG1-CD1 3.78Å; V273-I277 HydrophobicContact CG1-CG1 4.42Å; V273-I277 WeakPolarHBondContact O-CB 3.42Å; V273-I277 VanDerWaalsContact O-CG1 3.29Å; V273-I277 WeakPolarHBondContact O-CG1 3.33Å; V273-I277 PolarHBondContact O-N 2.77Å; G274-I277 PolarHBondContact O-N 3.37Å; I277-G279 VanDerWaalsContact C-N 3.33Å; I277-G279 PolarHBondContact O-N 3.38Å; I277-L280 PolarHBondContact O-N 2.81Å; I277-L280 VanDerWaalsContact O-N 3.16Å; I277-L281 HydrophobicContact CG2-CD1 4.28Å; I277-L281 WeakPolarHBondContact O-CB 3.41Å; I277-L281 PolarHBondContact O-N 2.92Å
278L89.4Confident89Confident104 Ų10489.4 Ų89.455%0.54550%0.504SS..Hα-helixtrans-61-40.6177.5-72.8170.2000112.4G274 L280 L281 I282G274-L278 WeakPolarHBondContact O-CB 3.38Å; G274-L278 WeakPolarHBondContact O-CG 3.32Å; G274-L278 PolarHBondContact O-N 3.15Å; L278-L280 PolarHBondContact O-N 2.84Å; L278-L281 PolarHBondContact O-N 2.89Å; L278-I282 HydrophobicContact CB-CD1 4.48Å; L278-I282 WeakPolarHBondContact O-CB 3.23Å; L278-I282 VanDerWaalsContact O-CG1 3.26Å; L278-I282 WeakPolarHBondContact O-CG1 3.37Å; L278-I282 PolarHBondContact O-N 3.45Å
279G88.7Confident89.5Confident48 Ų4888 Ų8850%0.49550%0.501SS..Hα-helixtrans-61.9-24.9176.500000114.2A275 L276 I277 P283A275-G279 PolarHBondContact O-N 2.78Å; L276-G279 PolarHBondContact O-N 3.01Å; I277-G279 VanDerWaalsContact C-N 3.33Å; I277-G279 PolarHBondContact O-N 3.38Å; G279-P283 WeakPolarHBondContact O-CD 3.4Å; G279-P283 WeakPolarHBondContact O-CG 3.39Å
280L90Very high89.6Confident120 Ų12090.4 Ų90.463%0.62851%0.506SS*.Hα-helixtrans-92.6-38.4171.2-69.9170.4000112.6L276 I277 L278 P283 V284L276-L280 WeakPolarHBondContact O-CG 3.35Å; L276-L280 PolarHBondContact O-N 2.9Å; I277-L280 PolarHBondContact O-N 2.81Å; I277-L280 VanDerWaalsContact O-N 3.16Å; L278-L280 PolarHBondContact O-N 2.84Å; L280-P283 WeakPolarHBondContact O-CD 3.4Å; L280-P283 WeakPolarHBondContact O-CG 3.04Å; L280-V284 WeakPolarHBondContact O-CB 3.38Å; L280-V284 VanDerWaalsContact O-CG2 3.24Å; L280-V284 WeakPolarHBondContact O-CG2 3.49Å; L280-V284 PolarHBondContact O-N 3.43Å
281L91.4Very high89.7Confident88 Ų8890.1 Ų90.146%0.46150%0.504SS..Hα-helixtrans-67.2-41.4-176.9-128.5169.2000111.8I277 L278 V284 L285I277-L281 HydrophobicContact CG2-CD1 4.28Å; I277-L281 WeakPolarHBondContact O-CB 3.41Å; I277-L281 PolarHBondContact O-N 2.92Å; L278-L281 PolarHBondContact O-N 2.89Å; L281-V284 PolarHBondContact O-N 2.89Å; L281-L285 HydrophobicContact CD2-CD1 3.77Å; L281-L285 HydrophobicContact CD2-CG 4.07Å; L281-L285 WeakPolarHBondContact O-CB 3.33Å; L281-L285 PolarHBondContact O-N 2.96Å
282I89.4Confident89.8Confident112 Ų11293.2 Ų93.257%0.57451%0.506SS*.Hα-helixtrans-59.8-54.7179.9-68.7166.3000112.3L278 V284 L285 F286L278-I282 HydrophobicContact CB-CD1 4.48Å; L278-I282 WeakPolarHBondContact O-CB 3.23Å; L278-I282 VanDerWaalsContact O-CG1 3.26Å; L278-I282 WeakPolarHBondContact O-CG1 3.37Å; L278-I282 PolarHBondContact O-N 3.45Å; I282-V284 VanDerWaalsContact C-N 3.34Å; I282-V284 PolarHBondContact O-N 3.01Å; I282-L285 PolarHBondContact O-N 2.8Å; I282-F286 WeakPolarHBondContact O-CB 3.28Å; I282-F286 PolarHBondContact O-N 2.83Å
283P89.9Confident89.6Confident69 Ų6988.5 Ų88.545%0.44849%0.492SS..Hα-helixtrans-66-33.8177.924.2-32.9000112.7G279 L280 F286 L287G279-P283 WeakPolarHBondContact O-CD 3.4Å; G279-P283 WeakPolarHBondContact O-CG 3.39Å; L280-P283 WeakPolarHBondContact O-CD 3.4Å; L280-P283 WeakPolarHBondContact O-CG 3.04Å; P283-F286 PolarHBondContact O-N 3.39Å; P283-L287 WeakPolarHBondContact O-CB 3.32Å; P283-L287 PolarHBondContact O-N 2.77Å
284V90.7Very high89.3Confident88 Ų8888.3 Ų88.353%0.53349%0.494SS..Hα-helixtrans-65.4-45174.6170.90000111.3L280 L281 I282 F286 L287 V288L280-V284 WeakPolarHBondContact O-CB 3.38Å; L280-V284 VanDerWaalsContact O-CG2 3.24Å; L280-V284 WeakPolarHBondContact O-CG2 3.49Å; L280-V284 PolarHBondContact O-N 3.43Å; L281-V284 PolarHBondContact O-N 2.89Å; I282-V284 VanDerWaalsContact C-N 3.34Å; I282-V284 PolarHBondContact O-N 3.01Å; V284-F286 VanDerWaalsContact C-N 3.34Å; V284-F286 PolarHBondContact O-N 2.96Å; V284-L287 PolarHBondContact O-N 3.48Å; V284-V288 WeakPolarHBondContact O-CG2 3.19Å; V284-V288 PolarHBondContact O-N 2.79Å
285L91.1Very high88.9Confident91 Ų9194.5 Ų94.548%0.47651%0.508SS..Hα-helixtrans-59.6-44.6173.4-100.8167.2000111.5L281 I282 L287 V288 I289L281-L285 HydrophobicContact CD2-CD1 3.77Å; L281-L285 HydrophobicContact CD2-CG 4.07Å; L281-L285 WeakPolarHBondContact O-CB 3.33Å; L281-L285 PolarHBondContact O-N 2.96Å; I282-L285 PolarHBondContact O-N 2.8Å; L285-L287 VanDerWaalsContact C-N 3.33Å; L285-L287 PolarHBondContact O-N 3.34Å; L285-V288 PolarHBondContact O-N 2.91Å; L285-I289 HydrophobicContact CD2-CD1 4.46Å; L285-I289 WeakPolarHBondContact O-CB 3.41Å; L285-I289 WeakPolarHBondContact O-CD1 3.2Å; L285-I289 WeakPolarHBondContact O-CG1 3.47Å; L285-I289 PolarHBondContact O-N 2.96Å
286F90.2Very high88.5Confident134 Ų13499.2 Ų99.259%0.58851%0.513SS*.Hα-helixtrans-61.3-41.8177.5-170.8-106.3000111.8I282 P283 V284 I289 L290I282-F286 WeakPolarHBondContact O-CB 3.28Å; I282-F286 PolarHBondContact O-N 2.83Å; P283-F286 PolarHBondContact O-N 3.39Å; V284-F286 VanDerWaalsContact C-N 3.34Å; V284-F286 PolarHBondContact O-N 2.96Å; F286-I289 PolarHBondContact O-N 3.4Å; F286-L290 HydrophobicContact CD1-CD1 3.85Å; F286-L290 HydrophobicContact CD1-CG 4.42Å; F286-L290 HydrophobicContact CE1-CD1 3.58Å; F286-L290 HydrophobicContact CE1-CG 4.22Å; F286-L290 HydrophobicContact CZ-CD1 4.25Å; F286-L290 HydrophobicContact CZ-CG 4.5Å; F286-L290 WeakPolarHBondContact O-CB 3.39Å; F286-L290 WeakPolarHBondContact O-CG 3.23Å; F286-L290 PolarHBondContact O-N 2.83Å
287L89.5Confident87.7Confident102 Ų102104.3 Ų104.353%0.53453%0.525SS..Hα-helixtrans-66.2-41.7176.3-145.9171.5000111.5P283 V284 L285 L290 I291P283-L287 WeakPolarHBondContact O-CB 3.32Å; P283-L287 PolarHBondContact O-N 2.77Å; V284-L287 PolarHBondContact O-N 3.48Å; L285-L287 VanDerWaalsContact C-N 3.33Å; L285-L287 PolarHBondContact O-N 3.34Å; L287-L290 PolarHBondContact O-N 2.99Å; L287-I291 HydrophobicContact CD2-CD1 3.46Å; L287-I291 VanDerWaalsContact CD2-CD1 3.46Å; L287-I291 HydrophobicContact CD2-CG1 3.95Å; L287-I291 WeakPolarHBondContact O-CG1 3.41Å; L287-I291 PolarHBondContact O-N 3.07Å
288V91.2Very high86.3Confident84 Ų84104.9 Ų104.951%0.50953%0.526SS..Hα-helixtrans-63.4-41.9173.8169.90000111.6V284 L285 I291 W292V284-V288 WeakPolarHBondContact O-CG2 3.19Å; V284-V288 PolarHBondContact O-N 2.79Å; L285-V288 PolarHBondContact O-N 2.91Å; V288-I291 PolarHBondContact O-N 2.81Å; V288-W292 WeakPolarHBondContact O-CB 3.34Å; V288-W292 PolarHBondContact O-N 3.26Å
289I89.9Confident84.8Confident95 Ų95105.7 Ų105.749%0.48753%0.526SS..Hα-helixtrans-64.9-40.7176-70.5164000110.8L285 F286 W292 A293L285-I289 HydrophobicContact CD2-CD1 4.46Å; L285-I289 WeakPolarHBondContact O-CB 3.41Å; L285-I289 WeakPolarHBondContact O-CD1 3.2Å; L285-I289 WeakPolarHBondContact O-CG1 3.47Å; L285-I289 PolarHBondContact O-N 2.96Å; F286-I289 PolarHBondContact O-N 3.4Å; I289-W292 PolarHBondContact O-N 3.05Å; I289-A293 VanDerWaalsContact O-CB 3.29Å; I289-A293 WeakPolarHBondContact O-CB 3.39Å; I289-A293 PolarHBondContact O-N 3.07Å
290L88.2Confident83.2Confident85 Ų85107.1 Ų107.145%0.44553%0.534SS..Hα-helixtrans-63.1-46.2173.1-75.6175.2000111.9F286 L287 W292 A293 C294F286-L290 HydrophobicContact CD1-CD1 3.85Å; F286-L290 HydrophobicContact CD1-CG 4.42Å; F286-L290 HydrophobicContact CE1-CD1 3.58Å; F286-L290 HydrophobicContact CE1-CG 4.22Å; F286-L290 HydrophobicContact CZ-CD1 4.25Å; F286-L290 HydrophobicContact CZ-CG 4.5Å; F286-L290 WeakPolarHBondContact O-CB 3.39Å; F286-L290 WeakPolarHBondContact O-CG 3.23Å; F286-L290 PolarHBondContact O-N 2.83Å; L287-L290 PolarHBondContact O-N 2.99Å; L290-W292 VanDerWaalsContact C-N 3.32Å; L290-W292 PolarHBondContact O-N 2.64Å; L290-A293 PolarHBondContact O-N 3.11Å; L290-C294 WeakPolarHBondContact O-CB 3.41Å; L290-C294 PolarHBondContact O-N 2.9Å; L290-C294 PolarHBondContact O-SG 3.35Å; L290-C294 VanDerWaalsContact O-SG 3.32Å
291I88.5Confident81.4Confident93 Ų93108.5 Ų108.548%0.47754%0.539SS..Hα-helixtrans-59.7-43.4175.3-72.1168.3000110.7L287 V288 C294 R295L287-I291 HydrophobicContact CD2-CD1 3.46Å; L287-I291 VanDerWaalsContact CD2-CD1 3.46Å; L287-I291 HydrophobicContact CD2-CG1 3.95Å; L287-I291 WeakPolarHBondContact O-CG1 3.41Å; L287-I291 PolarHBondContact O-N 3.07Å; V288-I291 PolarHBondContact O-N 2.81Å; I291-C294 PolarHBondContact O-N 3.09Å; I291-R295 WeakPolarHBondContact O-CB 3.4Å; I291-R295 WeakPolarHBondContact O-CG 3.39Å; I291-R295 PolarHBondContact O-N 3.32Å
292W88.5Confident79.1Confident152 Ų152112.8 Ų112.858%0.57656%0.556SS**Hα-helixtrans-65.6-42.7177.518087.6000112.2V288 I289 L290 R295 R296V288-W292 WeakPolarHBondContact O-CB 3.34Å; V288-W292 PolarHBondContact O-N 3.26Å; I289-W292 PolarHBondContact O-N 3.05Å; L290-W292 VanDerWaalsContact C-N 3.32Å; L290-W292 PolarHBondContact O-N 2.64Å; W292-R295 PolarHBondContact O-N 3.34Å; W292-R296 VanDerWaalsContact O-CB 3.3Å; W292-R296 WeakPolarHBondContact O-CB 3.33Å; W292-R296 PolarHBondContact O-N 3.35Å
293A84.5Confident77Confident40 Ų40110.8 Ų110.833%0.33155%0.552SS.*Hα-helixtrans-64.2-42.1175.800000111.9I289 L290 R296 R297I289-A293 VanDerWaalsContact O-CB 3.29Å; I289-A293 WeakPolarHBondContact O-CB 3.39Å; I289-A293 PolarHBondContact O-N 3.07Å; L290-A293 PolarHBondContact O-N 3.11Å; A293-R296 PolarHBondContact O-N 2.88Å; A293-R297 WeakPolarHBondContact O-CG 3.48Å; A293-R297 PolarHBondContact O-N 3.16Å
294C83.9Confident74.8Confident71 Ų71115 Ų11548%0.4857%0.571SS.*Hα-helixtrans-62.3-48.2173.1-73.50000111.5L290 I291 R296 R297 H298L290-C294 WeakPolarHBondContact O-CB 3.41Å; L290-C294 PolarHBondContact O-N 2.9Å; L290-C294 PolarHBondContact O-SG 3.35Å; L290-C294 VanDerWaalsContact O-SG 3.32Å; I291-C294 PolarHBondContact O-N 3.09Å; C294-R296 VanDerWaalsContact C-N 3.35Å; C294-R296 PolarHBondContact O-N 3.45Å; C294-R297 PolarHBondContact O-N 2.88Å; C294-H298 PolarHBondContact O-CD2 3.25Å; C294-H298 VanDerWaalsContact O-CD2 3.24Å; C294-H298 PolarHBondContact O-N 3.17Å
295R81.8Confident72.5Confident159 Ų159121 Ų12160%0.659%0.585SS**Hα-helixtrans-59.9-42.7174.5-76-169.868.1163.30.2111.9I291 W292 R297 H298 H299I291-R295 WeakPolarHBondContact O-CB 3.4Å; I291-R295 WeakPolarHBondContact O-CG 3.39Å; I291-R295 PolarHBondContact O-N 3.32Å; W292-R295 PolarHBondContact O-N 3.34Å; R295-R297 VanDerWaalsContact C-N 3.35Å; R295-R297 PolarHBondContact O-N 3.13Å; R295-H298 CarbonylContact O-C 3.59Å; R295-H298 PolarHBondContact O-N 3.18Å; R295-H299 PolarHBondContact O-CD2 2.89Å; R295-H299 PolarHBondContact O-N 2.83Å
296R80.5Confident70.3Confident162 Ų162121.5 Ų121.561%0.61159%0.592SS**Hα-helixtrans-64.4-37.2178.1-169.2170.8-179170.5-0.5112.1W292 A293 C294 H299 A300W292-R296 VanDerWaalsContact O-CB 3.3Å; W292-R296 WeakPolarHBondContact O-CB 3.33Å; W292-R296 PolarHBondContact O-N 3.35Å; A293-R296 PolarHBondContact O-N 2.88Å; C294-R296 VanDerWaalsContact C-N 3.35Å; C294-R296 PolarHBondContact O-N 3.45Å; R296-H299 PolarHBondContact O-N 2.78Å; R296-A300 PolarHBondContact O-N 3.42Å
297R71.9Confident68.1Low200 Ų200122.3 Ų122.376%0.75560%0.603SS**Hα-helixtrans-65.7-41.6170.3-76.1-176.5173.1-168.7-2112.4A293 C294 R295 H299 A300 M301A293-R297 WeakPolarHBondContact O-CG 3.48Å; A293-R297 PolarHBondContact O-N 3.16Å; C294-R297 PolarHBondContact O-N 2.88Å; R295-R297 VanDerWaalsContact C-N 3.35Å; R295-R297 PolarHBondContact O-N 3.13Å; R297-H299 VanDerWaalsContact C-N 3.32Å; R297-H299 PolarHBondContact O-N 2.79Å; R297-A300 PolarHBondContact O-N 3.28Å; R297-M301 PolarHBondContact O-N 2.91Å; R297-M301 VanDerWaalsContact O-N 3.15Å
298H62.1Low65.8Low105 Ų105122 Ų12249%0.48661%0.609SS.*Hα-helixtrans-66.2-29.3174-81.4-69.8000113.7C294 R295C294-H298 PolarHBondContact O-CD2 3.25Å; C294-H298 VanDerWaalsContact O-CD2 3.24Å; C294-H298 PolarHBondContact O-N 3.17Å; R295-H298 CarbonylContact O-C 3.59Å; R295-H298 PolarHBondContact O-N 3.18Å
299H58.6Low63.4Low121 Ų121125.6 Ų125.656%0.5662%0.618SS**Hα-helixtrans-80.1-23.2173.5-71.5-60.1000113.4R295 R296 R297R295-H299 PolarHBondContact O-CD2 2.89Å; R295-H299 PolarHBondContact O-N 2.83Å; R296-H299 PolarHBondContact O-N 2.78Å; R297-H299 VanDerWaalsContact C-N 3.32Å; R297-H299 PolarHBondContact O-N 2.79Å
300A56.3Low61.6Low79 Ų79127.5 Ų127.565%0.65363%0.628SS**Hα-helixtrans-77.1-27.5171.600000112.9R296 R297 H302R296-A300 PolarHBondContact O-N 3.42Å; R297-A300 PolarHBondContact O-N 3.28Å; A300-H302 PolarHBondContact O-N 2.87Å; A300-H302 VanDerWaalsContact O-N 3.14Å
301M51.4Low59.5Low148 Ų148132.3 Ų132.373%0.72965%0.646SS**SBendtrans-80.485.3173.3-71.7-72.8-179.300110.5R297 S303R297-M301 PolarHBondContact O-N 2.91Å; R297-M301 VanDerWaalsContact O-N 3.15Å; M301-S303 PolarHBondContact O-N 2.88Å
302H43.9Very low57.5Low179 Ų179131.9 Ų131.983%0.82965%0.651SS**  trans-59.595177.3-98.7-95.7000112.2A300A300-H302 PolarHBondContact O-N 2.87Å; A300-H302 VanDerWaalsContact O-N 3.14Å
303S44.7Very low55.7Low69 Ų69128 Ų12848%0.48364%0.644SS.*  trans-137.9122.7171.41780000109.4M301 Y305M301-S303 PolarHBondContact O-N 2.88Å; S303-Y305 PolarHBondContact O-N 2.84Å
304N43.1Very low54.1Low157 Ų157130.8 Ų130.884%0.8465%0.654SS**THydrogen-bonded Turntrans-73.624.5-171.3-73.5-24.7000114.7
305Y43.7Very low52.3Low216 Ų216132.9 Ų132.985%0.84766%0.66SS**THydrogen-bonded Turntrans-109.21.5-176.9-99.2-82.7000114.8S303 N307S303-Y305 PolarHBondContact O-N 2.84Å; Y305-N307 PolarHBondContact O-N 2.94Å
306T44.6Very low50.6Low100 Ų100135.6 Ų135.661%0.61367%0.67SS**  trans-93.416.3-172.252.80000114.9S308T306-S308 PolarHBondContact O-N 2.87Å; T306-S308 VanDerWaalsContact O-N 3.12Å
307N44.1Very low49Very low152 Ų152136.3 Ų136.381%0.81367%0.674SS**  trans-77.696.1174.1-95.1-43.6000112.3Y305Y305-N307 PolarHBondContact O-N 2.94Å
308S40.8Very low47.6Very low96 Ų96136.7 Ų136.767%0.67168%0.677SS**SBendtrans78.9155.9161.681.50000119.8T306 L310T306-S308 PolarHBondContact O-N 2.87Å; T306-S308 VanDerWaalsContact O-N 3.12Å; S308-L310 PolarHBondContact O-N 2.82Å; S308-L310 VanDerWaalsContact O-N 3.08Å
309K41.6Very low47.3Very low158 Ų158138 Ų13869%0.68769%0.686SS**SBendtrans70.1-41.6168.7-60.6-174.3177.7-177.10120.3F311 S312 T313K309-F311 VanDerWaalsContact C-N 3.3Å; K309-F311 PolarHBondContact O-N 3.13Å; K309-S312 PolarHBondContact O-N 3.24Å; K309-T313 PolarHBondContact O-OG1 2.79Å
310L50.2Low46.8Very low135 Ų135134.3 Ų134.371%0.70768%0.681SS**THydrogen-bonded Turntrans-67.1-12.2-162.9-75.2175.4000118.3S308S308-L310 PolarHBondContact O-N 2.82Å; S308-L310 VanDerWaalsContact O-N 3.08Å
311F44.7Very low45.8Very low187 Ų187134.1 Ų134.182%0.8269%0.686SS**THydrogen-bonded Turntrans-118.50.1-179.1-82.3-78.7000115.8K309K309-F311 VanDerWaalsContact C-N 3.3Å; K309-F311 PolarHBondContact O-N 3.13Å
312S46.5Very low45.4Very low83 Ų83135.3 Ų135.358%0.5869%0.687SS**THydrogen-bonded Turntrans-113.5-21.7-178.456.10000115.1K309K309-S312 PolarHBondContact O-N 3.24Å
313T50.3Low45.3Very low71 Ų71134.5 Ų134.544%0.43668%0.684SS.*SBendtrans-96-33.1-175.456.20000114.2K309K309-T313 PolarHBondContact O-OG1 2.79Å
314N50.8Low45.2Very low98 Ų98137.5 Ų137.552%0.52469%0.693SS.*Hα-helixtrans-77.5-25.4-174.7-78.9-4.5000114.3Y317 Y318N314-Y317 PolarHBondContact O-N 2.98Å; N314-Y318 PolarHBondContact O-N 3Å
315L47.8Very low45.2Very low116 Ų116134.9 Ų134.961%0.60769%0.686SS**Hα-helixtrans-70.8-36.8178.4-165.270.9000111.6Y317 Y318 I319L315-Y317 VanDerWaalsContact C-N 3.3Å; L315-Y317 PolarHBondContact O-N 2.9Å; L315-Y318 PolarHBondContact O-N 2.89Å; L315-Y318 VanDerWaalsContact O-N 3.16Å; L315-I319 HydrophobicContact CD1-CD1 4.11Å; L315-I319 HydrophobicContact CD2-CD1 4.24Å; L315-I319 HydrophobicContact CG-CD1 3.82Å; L315-I319 HydrophobicContact CG-CG1 4.46Å; L315-I319 PolarHBondContact O-N 2.95Å
316W46.1Very low45Very low216 Ų216132.4 Ų132.482%0.81869%0.688SS**Hα-helixtrans-63.6-34.4172.8-89.989000112.6Y318 G320W316-Y318 VanDerWaalsContact C-N 3.28Å; W316-Y318 PolarHBondContact O-N 2.91Å; W316-G320 WeakPolarHBondContact O-CA 3.27Å; W316-G320 PolarHBondContact O-N 2.77Å
317Y45.7Very low44.8Very low176 Ų176133.5 Ų133.569%0.6969%0.69SS**Hα-helixtrans-71.1-17.3174.3-101.4-85.3000114.6N314 L315N314-Y317 PolarHBondContact O-N 2.98Å; L315-Y317 VanDerWaalsContact C-N 3.3Å; L315-Y317 PolarHBondContact O-N 2.9Å
318Y42.7Very low44.8Very low209 Ų209131.7 Ų131.782%0.8269%0.686SS**Hα-helixtrans-104.2-17.2178.4-96.4-83.2000114.4N314 L315 W316N314-Y318 PolarHBondContact O-N 3Å; L315-Y318 PolarHBondContact O-N 2.89Å; L315-Y318 VanDerWaalsContact O-N 3.16Å; W316-Y318 VanDerWaalsContact C-N 3.28Å; W316-Y318 PolarHBondContact O-N 2.91Å
319I56.1Low44.8Very low132 Ų132133.2 Ų133.268%0.67769%0.686SS**Hα-helixtrans-103.2-32.5176.1-61.4179000111.1L315 G321L315-I319 HydrophobicContact CD1-CD1 4.11Å; L315-I319 HydrophobicContact CD2-CD1 4.24Å; L315-I319 HydrophobicContact CG-CD1 3.82Å; L315-I319 HydrophobicContact CG-CG1 4.46Å; L315-I319 PolarHBondContact O-N 2.95Å; I319-G321 VanDerWaalsContact C-N 3.26Å; I319-G321 PolarHBondContact O-N 2.78Å
320G46.9Very low44.5Very low44 Ų44129.1 Ų129.145%0.45469%0.689SS.*SBendtrans-75.975.9168.700000111W316 K322W316-G320 WeakPolarHBondContact O-CA 3.27Å; W316-G320 PolarHBondContact O-N 2.77Å; G320-K322 PolarHBondContact O-N 2.97Å
321G35.8Very low43.9Very low74 Ų74130.2 Ų130.276%0.76369%0.689SS**  trans-67.968.4178.500000113.1I319I319-G321 VanDerWaalsContact C-N 3.26Å; I319-G321 PolarHBondContact O-N 2.78Å
322K42.6Very low43.6Very low173 Ų173130.4 Ų130.475%0.75268%0.684SS**  trans-106.6107.8168.6-178.7176.1-177.21780107.7G320 I324G320-K322 PolarHBondContact O-N 2.97Å; K322-I324 PolarHBondContact O-N 2.82Å; K322-I324 VanDerWaalsContact O-N 3.08Å
323E42.5Very low42.9Very low162 Ų162130.1 Ų130.176%0.75769%0.694SS**  trans-59.1115.3170.346.1-89.696.200110.1
324I42.4Very low42.1Very low132 Ų132132.6 Ų132.668%0.67771%0.714SS**  trans-90.2110.3164.5-61177.2000105.7K322K322-I324 PolarHBondContact O-N 2.82Å; K322-I324 VanDerWaalsContact O-N 3.08Å
325C44.5Very low41.3Very low102 Ų102131.9 Ų131.969%0.68972%0.717SS**  trans-56.5153.2179.8-50.20000111.6D327C325-D327 PolarHBondContact O-N 2.91Å
326D39.5Very low40.6Very low165 Ų165131.9 Ų131.988%0.88273%0.727SS**  trans-56.6107.5177.8-56-93.6000111.7P328D326-P328 VanDerWaalsContact O-CD 3.28Å; D326-P328 WeakPolarHBondContact O-CD 3.42Å
327D39.7Very low40.1Very low123 Ų123129.4 Ų129.466%0.65873%0.726SS**  trans-106.891.7170.3-170.5-10.7000109.4C325 N329C325-D327 PolarHBondContact O-N 2.91Å; D327-N329 PolarHBondContact O-N 2.88Å
328P43.5Very low39.6Very low113 Ų113128.8 Ų128.873%0.73473%0.734SS**THydrogen-bonded Turntrans-72.53.9-16829-36.4000114.8D326D326-P328 VanDerWaalsContact O-CD 3.28Å; D326-P328 WeakPolarHBondContact O-CD 3.42Å
329N41.2Very low39Very low128 Ų128130 Ų13068%0.68474%0.737SS**THydrogen-bonded Turntrans-125.617.2-176.2-74.7-63.7000115.2D327 F331D327-N329 PolarHBondContact O-N 2.88Å; N329-F331 VanDerWaalsContact C-N 3.26Å; N329-F331 PolarHBondContact O-N 2.97Å
330G34.8Very low37.7Very low72 Ų72128.2 Ų128.274%0.74274%0.736SS**  trans-66.468.2175.700000115.1
331F37.1Very low37.2Very low159 Ų159134.5 Ų134.570%0.69775%0.751SS**  trans-89.8134.8-166.2-126.4-102.2000114.8N329N329-F331 VanDerWaalsContact C-N 3.26Å; N329-F331 PolarHBondContact O-N 2.97Å
332R38.9Very low37.1Very low191 Ų191137.2 Ų137.272%0.72174%0.744SS**  trans63.9103.9162.6-72.8165-173.6-93-1.5119.4
333G32.4Very low36.7Very low77 Ų77137.2 Ų137.279%0.79474%0.744SS**SBendtrans-174.591.9149.800000113
334S33.6Very low36.3Very low122 Ų122136.6 Ų136.685%0.85375%0.746SS**  cis-143.3128-2.4-71.80000109.9
335S33.4Very low35.8Very low84 Ų84135.7 Ų135.759%0.58775%0.751SS**  trans-72.5144.1178-47.40000112.1M337S335-M337 PolarHBondContact O-N 3.32Å
336S33.1Very low35.5Very low116 Ų116136.2 Ų136.281%0.81175%0.754SS**  trans-10.3109.3157.754.70000117.4
337M35.4Very low35.4Very low163 Ų163134.2 Ų134.280%0.80375%0.752SS**  trans-130.4111.9156.9-66.3-164-17100108S335S335-M337 PolarHBondContact O-N 3.32Å
338L34.9Very low35.3Very low163 Ų163132.6 Ų132.685%0.85376%0.756SS**  72.172.582.3-68173.4000114.6
339R30.3Very low34.9Very low235 Ų235133.7 Ų133.789%0.88776%0.761SS**  trans22.1104.5137-157.8-176.4-165.1-177.95.5118.4
340S30.1Very low34.7Very low95 Ų95130.3 Ų130.366%0.66476%0.756SS**  trans57.9125.5147.667.80000121.1
341K36Very low34.6Very low175 Ų175132.7 Ų132.776%0.76176%0.757SS**  -179.7131.2102.4-98.8178.7175.3-173.10115
342Q33.7Very low34.6Very low131 Ų131131.9 Ų131.961%0.61276%0.759SS**  trans58.9139.3138.8-67.6173.3-98.600123.6
343F32.8Very low34.5Very low173 Ų173129.8 Ų129.876%0.75976%0.761SS**  trans69.5141.2159.4-58.4-52.9000117.5
344N35.5Very low34.5Very low149 Ų149134 Ų13480%0.79777%0.765SS**  cis-138.5161.24.5-100.7-29000112.6
345S31.4Very low34.6Very low113 Ų113131.7 Ų131.779%0.7976%0.761SS**  trans-91.1177.3175.5-40.70000111.9
346P38.7Very low34.4Very low114 Ų114131.9 Ų131.974%0.7478%0.776SS**  -147.5173.566.740.5-21.2000117.5
347S36.5Very low34.3Very low122 Ų122130.2 Ų130.285%0.85378%0.777SS**  trans69.2137.6162.4-64.20000118.5
348A38.4Very low34.1Very low89 Ų89126.6 Ų126.674%0.73678%0.782SS**  cis-148.4157.6-2.800000113.7
349T35.1Very low33.9Very low137 Ų137121.8 Ų121.884%0.8477%0.772SS**  trans2.6136.8153.9-34.40000119.2
350G35.9Very low34.1Very low56 Ų56119.7 Ų119.758%0.57777%0.772SS**  cis-169163.85.100000112.8
351T34.6Very low34.2Very low123 Ų123122.5 Ų122.576%0.75577%0.774SS**  74.3133.693.461.30000115
352L36Very low34.3Very low142 Ų142121.9 Ų121.974%0.74378%0.778SS**  cis-170.1161.9-1.4-116.1173000110.4
353L37.2Very low34.3Very low147 Ų147123.2 Ų123.277%0.7779%0.787SS**  trans63.8132.9161.3-57.9160.6000117.2
354N32.6Very low34.4Very low164 Ų164123.5 Ų123.588%0.87780%0.795SS**  cis80.6117.616.2-158.828.5000117.5
355G35.1Very low34.2Very low75 Ų75121 Ų12177%0.77379%0.789SS**  trans139.3138.2176.900000111.8
356G30.2Very low34.2Very low87 Ų87122 Ų12290%0.89779%0.786SS**  cis139.494.2-11.700000114.6
357G30.3Very low33.9Very low81 Ų81121 Ų12184%0.83579%0.787SS**  trans122.1133.5160.800000117
358G30.5Very low33.9Very low88 Ų88121.3 Ų121.391%0.90778%0.779SS**  trans77145.8170.900000115.6
359G30.7Very low33.8Very low62 Ų62123.5 Ų123.564%0.63978%0.783SS**  cis172.9163.6-6.600000111.3
360H34.9Very low33.9Very low190 Ų190124.8 Ų124.888%0.8878%0.781SS**  trans64.6113.2176.8-49.6-87.9000115.2
361H32Very low34Very low154 Ų154129 Ų12971%0.71379%0.791SS**  71.697.859.1-175.4-76.1000114.5
362L38.4Very low34.1Very low162 Ų162129.1 Ų129.185%0.84879%0.786SS**  trans-155.7143.1131.5-109167.5000109.5
363M33.2Very low34.3Very low160 Ų160128 Ų12879%0.78879%0.787SS**  trans-90.4152.6176.8-62172.312500110.4
364L36.3Very low34.1Very low178 Ų178127.2 Ų127.293%0.93278%0.784SS**  trans-163.1126.2134.7-108.6154.8000110.7
365S29.5Very low34.5Very low97 Ų97125.8 Ų125.868%0.67878%0.781SS**  trans-98140.4173.251.60000110.3
366N32.8Very low34.7Very low134 Ų134128 Ų12872%0.71778%0.779SS**  trans-170.5137.3142.8-88.3-6.8000105.7
367A32.5Very low35.3Very low92 Ų92129.8 Ų129.876%0.7677%0.772SS**  cis72.558.717.300000115.3
368D36Very low35.8Very low130 Ų130131.7 Ų131.770%0.69577%0.77SS**  trans-118.499.9160.3-77.6-64000109.6
369V35.1Very low36.2Very low134 Ų134131.3 Ų131.381%0.81277%0.766SS**  trans-92.5120.6161.3176.10000105.9
370M38.7Very low36.3Very low164 Ų164131.9 Ų131.981%0.80877%0.771SS**  trans-122.5125.5179-69.4-66.7-85.400109.9
371D38.2Very low36.2Very low146 Ų146134.2 Ų134.278%0.78177%0.773SS**  trans-75.8154.7-173.4-83.3-57000114.3
372L36Very low36.5Very low125 Ų125133.8 Ų133.865%0.65478%0.78SS**  trans19.5148.3141.3-114.671.2000121.2D374L372-D374 WeakPolarHBondContact CD2-OD2 3.32Å
373P40.9Very low36.5Very low118 Ų118130.5 Ų130.577%0.76677%0.767SS**  -135.1156.580.237.9-26.8000115.7
374D32.9Very low36.7Very low131 Ų131127.2 Ų127.270%0.70177%0.765SS**  trans-63.9140.8173.4-72.8-59.4000112.8L372L372-D374 WeakPolarHBondContact CD2-OD2 3.32Å
375V40.4Very low36.6Very low133 Ų133126.3 Ų126.381%0.80675%0.754SS**  trans-119.2101.4163.5-178.90000108.5
376V38.8Very low36.9Very low122 Ų122128.3 Ų128.374%0.73976%0.757SS**  trans-68.2131.8-175.3177.40000111.3
377V43.5Very low36.8Very low125 Ų125132.2 Ų132.276%0.75876%0.763SS**  trans-101.3112167.7-179.50000109.6
378P40.1Very low37.1Very low121 Ų121132.2 Ų132.279%0.78676%0.758SS**SBendtrans-72.7133.5173.6-14.930.4000111.3
379G38Very low37.1Very low79 Ų79129.6 Ų129.681%0.81476%0.761SS**SBendtrans110.25917700000114.1
380G34.1Very low37Very low74 Ų74131 Ų13176%0.76376%0.764SS**  trans-75.4126.9-170.100000116
381R33.1Very low37Very low240 Ų240129.3 Ų129.391%0.90676%0.763SS**  trans-144101.6137.8-94.9-165178.4-154.9-0.1109.5
382V38.2Very low37.1Very low144 Ų144130.9 Ų130.987%0.87377%0.771SS**  trans-89.1117.9170-176.20000108.1
383V37.7Very low37Very low94 Ų94129 Ų12957%0.5778%0.782SS**  trans-103.4104.8171.9-175.30000107.9F385V383-F385 HydrophobicContact CB-CD2 4.46Å; V383-F385 HydrophobicContact CB-CE2 3.92Å; V383-F385 HydrophobicContact CB-CZ 4.37Å; V383-F385 HydrophobicContact CG1-CD2 4.13Å; V383-F385 HydrophobicContact CG1-CE1 4.19Å; V383-F385 HydrophobicContact CG1-CE2 3.6Å; V383-F385 HydrophobicContact CG1-CZ 3.64Å; V383-F385 WeakPolarHBondContact O-CD2 3.32Å; V383-F385 PolarHBondContact O-N 3.13Å
384A37.4Very low36.7Very low90 Ų90127.1 Ų127.174%0.74478%0.783SS**  trans-77.699.2179.100000110.5N386A384-N386 PolarHBondContact O-N 3.15Å
385F35.3Very low36.9Very low160 Ų160127.9 Ų127.970%0.70279%0.787SS**  trans-7886.3173.7-71.5-78.2000110.8V383 Y387V383-F385 HydrophobicContact CB-CD2 4.46Å; V383-F385 HydrophobicContact CB-CE2 3.92Å; V383-F385 HydrophobicContact CB-CZ 4.37Å; V383-F385 HydrophobicContact CG1-CD2 4.13Å; V383-F385 HydrophobicContact CG1-CE1 4.19Å; V383-F385 HydrophobicContact CG1-CE2 3.6Å; V383-F385 HydrophobicContact CG1-CZ 3.64Å; V383-F385 WeakPolarHBondContact O-CD2 3.32Å; V383-F385 PolarHBondContact O-N 3.13Å; F385-Y387 HydrophobicContact CB-CE2 4.24Å; F385-Y387 PolarHBondContact O-N 2.7Å
386N34.4Very low36.6Very low139 Ų139127 Ų12774%0.74378%0.783SS**  trans-72.6107.2172.8-175.612.9000110.6A384 S388A384-N386 PolarHBondContact O-N 3.15Å; N386-S388 PolarHBondContact O-N 2.63Å
387Y32.2Very low36.4Very low216 Ų216128 Ų12885%0.84778%0.783SS**  trans-85.675.8175.1-83.8-88.9000111.4F385F385-Y387 HydrophobicContact CB-CE2 4.24Å; F385-Y387 PolarHBondContact O-N 2.7Å
388S37.8Very low35.9Very low92 Ų92131.8 Ų131.864%0.64378%0.784SS**PPolyproline II helixtrans-83.3119.5167.5570000110.9N386N386-S388 PolarHBondContact O-N 2.63Å
389G35.5Very low35.5Very low74 Ų74133.6 Ų133.676%0.76378%0.781SS**PPolyproline II helixtrans-68149.2171.800000112.7T391G389-T391 PolarHBondContact O-N 2.64Å
390N33.4Very low35.1Very low164 Ų164136 Ų13688%0.87778%0.775SS**PPolyproline II helixtrans-64.8125.5-179.6-80.4-25.9000113.3
391T39.3Very low35.2Very low129 Ų129138.9 Ų138.979%0.79177%0.769SS**  trans-159.1110.4131.139.20000112.3G389G389-T391 PolarHBondContact O-N 2.64Å
392L39.5Very low35.3Very low179 Ų179134 Ų13494%0.93776%0.761SS**  trans42.5111.7137.2-67.4158.8000121.2
393G35.1Very low35Very low86 Ų86134.7 Ų134.789%0.88776%0.759SS**  trans106.8151.5141.900000117.5
394G34.8Very low34.8Very low78 Ų78134.4 Ų134.480%0.80477%0.767SS**  trans12539.5163.500000119.5
395N36.2Very low34.6Very low146 Ų146133.4 Ų133.478%0.78177%0.765SS**  trans18.2116.6155.6-71.14.9000121.5
396T33.3Very low34.6Very low115 Ų115135.9 Ų135.971%0.70677%0.771SS**  68122.1128.761.70000123.1
397L35.5Very low34.6Very low143 Ų143134.9 Ų134.975%0.74977%0.77SS**  trans77.1110.2131.1-64.6169000121.5
398R32.7Very low34.7Very low204 Ų204131.5 Ų131.577%0.7777%0.767SS**  82.3118.8125.8-73.9-176165.2-165.5-3.9121.5
399H31.2Very low34.6Very low160 Ų160131.9 Ų131.974%0.74177%0.766SS**  trans63.6101.3132.2-65.7-59.1000121.2
400N31.2Very low34.5Very low129 Ų129134.2 Ų134.269%0.6976%0.761SS**  93.8145.1110.6-158.733.1000119.2
401H35.7Very low34.6Very low134 Ų134136.6 Ų136.662%0.6276%0.759SS**  trans58.5111.1167.8-77.8-32000121.6
402N35.5Very low34.2Very low138 Ų138138.3 Ų138.374%0.73876%0.763SS**  63108.4118.1-56.610.5000119.8
403N31.9Very low34.1Very low158 Ų158133.9 Ų133.985%0.84575%0.746SS**  126.7140.2111.9-154.217.5000116.4
404A33.5Very low34Very low89 Ų89137.3 Ų137.374%0.73675%0.745SS**  trans21.2132.5161.200000122.3
405G32.5Very low34Very low68 Ų68137.5 Ų137.570%0.70174%0.738SS**  trans159.881.8150.100000119.6
406Y35.2Very low34.1Very low212 Ų212139.6 Ų139.683%0.83174%0.743SS**  trans25.6123144.1-65.5-82.9000123.1
407T34.2Very low34.2Very low118 Ų118140.3 Ų140.372%0.72474%0.743SS**  trans47.7142.5133.964.60000120.9
408N34.4Very low34.3Very low146 Ų146138.9 Ų138.978%0.78174%0.736SS**  cis-167.6-168.845.2-146.9-26.3000113.8
409T35.3Very low34.5Very low100 Ų100136.6 Ų136.661%0.61373%0.734SS**  trans-90.2156.6-163.648.90000118.5
410N35.1Very low34.7Very low123 Ų123134 Ų13466%0.65873%0.729SS**  154.4141.2115.4-83.5-45.1000121.8
411Y34.8Very low34.9Very low213 Ų213135.3 Ų135.384%0.83573%0.733SS**  trans69.1176.2147.2-62.1-55.4000126.2
412L31.4Very low34.8Very low166 Ų166135.7 Ų135.787%0.86974%0.739SS**  trans-154-178.2-144.5-132.668.8000113
413S36.4Very low34.7Very low85 Ų85134.8 Ų134.859%0.59474%0.738SS**  cis-171.4176.78.961.50000114.3
414N34.2Very low34.9Very low159 Ų159134.2 Ų134.285%0.8574%0.735SS**  trans69.9158.5156.6-72.3-22.4000121.9
415A34.3Very low35.1Very low81 Ų81135.8 Ų135.867%0.66974%0.735SS**  cis-174.9170.6-24.400000114.4
416Q37.6Very low35.2Very low191 Ų191140.5 Ų140.589%0.89375%0.745SS**  trans95.2162.3166.9-60.7-170.8105.800120.4
417N36.3Very low35.4Very low129 Ų129133.8 Ų133.869%0.6974%0.74SS**  cis-177171.4-29.3-178.639.5000113.7
418N36.4Very low35.4Very low113 Ų113134.8 Ų134.860%0.60475%0.746SS**  trans77.2166.8160.1-95.318.5000121.8
419Q37.7Very low35.5Very low157 Ų157134.8 Ų134.873%0.73475%0.751SS**  cis-179.9167.9-31.2-104.5-175.2-5.900110.5
420V35.9Very low35.4Very low105 Ų105135 Ų13564%0.63676%0.756SS**  cis-172.1158.1-2080.20000114.3
421M34.7Very low35.5Very low157 Ų157136.9 Ų136.977%0.77377%0.766SS**  trans65.4166.9161.3-66.3-164.2-66.300120.7
422L32.9Very low35.6Very low141 Ų141133.5 Ų133.574%0.73876%0.762SS**  cis-160.4-162.6-23.2-101.8175.2000109.2
423T34.4Very low35.7Very low119 Ų119132.4 Ų132.473%0.7376%0.757SS**  cis-169.716015.7-21.80000114.7
424N35.1Very low35.5Very low146 Ų146134 Ų13478%0.78177%0.767SS**  trans72.3170.3152.9-133.311.4000119.6
425V39.1Very low35.5Very low122 Ų122129.8 Ų129.874%0.73976%0.761SS**  cis-142.1-1458.6-151.20000114.1
426N34.6Very low35.4Very low167 Ų167132.4 Ų132.489%0.89377%0.769SS**  trans-139.3161.4-163.8-84.4-14.7000117.8
427G38.7Very low35Very low71 Ų71130.4 Ų130.473%0.73277%0.765SS**  trans-171.7162.4167.100000114.7
428T34.9Very low34.7Very low140 Ų140129.9 Ų129.986%0.85977%0.765SS**  trans-148.6160.8-169.357.90000116.6
429V36.2Very low34.3Very low145 Ų145130.3 Ų130.388%0.87977%0.773SS**  trans151.6159143163.50000112.6
430S33.3Very low34Very low104 Ų104128.7 Ų128.773%0.72777%0.773SS**  trans-130.2166.8-163.4570000115.4
431L36.2Very low34Very low163 Ų163129.6 Ų129.685%0.85378%0.779SS**  trans-160.6168.2155.7-111.8162.7000113.2
432N36.9Very low33.9Very low143 Ų143126.4 Ų126.477%0.76578%0.777SS**  trans-92.9177.3-162.6-59.9-31.3000112.8
433N33.8Very low33.9Very low143 Ų143130.3 Ų130.377%0.76578%0.782SS**  cis-164.616334.2-16519.7000114.8
434C31.8Very low34.1Very low119 Ų119131.2 Ų131.280%0.80479%0.788SS**  trans5.6149.2167.8-68.90000122.5
435G34.2Very low34.1Very low70 Ų70127.5 Ų127.572%0.72278%0.784SS**  cis176.5171.43.400000113.1
436T32.9Very low33.9Very low135 Ų135130.3 Ų130.383%0.82879%0.789SS**  trans-137.4152-16347.10000115.6
437N29.5Very low33.8Very low150 Ų150129.1 Ų129.180%0.80278%0.783SS**  trans42.1130.6144-74.6-5.6000123.8
438V30.4Very low33.6Very low117 Ų117132 Ų13271%0.70979%0.786SS**  trans85.3109.5130.5169.40000120.7
439T28Very low33.2Very low123 Ų123133.7 Ų133.776%0.75579%0.786SS**  trans57.3138.3154.656.80000120.1
440T31.4Very low33.3Very low122 Ų122131.6 Ų131.675%0.74878%0.776SS**  171.8165.272.6-46.20000110.7
441V34.4Very low33.2Very low125 Ų125133.9 Ų133.976%0.75878%0.779SS**  trans95.8107.9153.5-1700000121.4
442A33.7Very low32.9Very low89 Ų89132.3 Ų132.374%0.73678%0.776SS**  trans64.4159142.800000121.1
443R33.7Very low32.6Very low224 Ų224131 Ų13185%0.84578%0.778SS**  cis-154160.63.4-144.2174.7-161.9175.45.6111.7
444T37.4Very low32.5Very low138 Ų138131 Ų13185%0.84778%0.778SS**  trans60.1129163.640.80000119.3
445G34.6Very low32.5Very low68 Ų68133.3 Ų133.370%0.70178%0.777SS**  cis175.5167.9-6.700000115.5
446Q35.5Very low32.3Very low180 Ų180136.5 Ų136.584%0.84178%0.777SS**  trans67.9108.1175.6-64.1177.9-14.900115.1
447N32.9Very low32.2Very low142 Ų142136.7 Ų136.776%0.75977%0.771SS**  77.7128.272.3-66.22.6000111.6
448T34.8Very low32.4Very low132 Ų132136.7 Ų136.781%0.8177%0.767SS**  cis-158.9159.13.92.30000110.7
449M26.1Very low32.5Very low175 Ų175138.3 Ų138.386%0.86277%0.767SS**  trans-80.8-178.9168-56.1-144.3-53.700111
450P37.2Very low32.8Very low102 Ų102141 Ų14166%0.66277%0.77SS**  cis-145.8-166.68.244-22.8000117.4
451L31.7Very low33Very low152 Ų152139.7 Ų139.780%0.79677%0.766SS**  trans76117.7150.3-104.865.1000121.5
452V30.3Very low33.1Very low129 Ų129142.7 Ų142.778%0.78277%0.772SS**  trans48.8112.3130.1179.30000119.4
453S31.2Very low33Very low116 Ų116143 Ų14381%0.81177%0.769SS**  -174.3170.5122.6-810000112.1
454N30.4Very low33.1Very low144 Ų144139.7 Ų139.777%0.7776%0.763SS**  trans-80.9164.5-179.9-95.73.5000114.3
455E31.4Very low33.1Very low166 Ų166140.3 Ų140.378%0.77676%0.757SS**  trans78.4145.5144-83173.3125.300123.3
456L30.3Very low33.1Very low137 Ų137144.5 Ų144.572%0.71776%0.758SS**  trans71.5104.9151.5-109.360.9000122.2
457I31.6Very low33Very low139 Ų139142 Ų14271%0.71375%0.75SS**  42.3114.9123.8-55.3174.9000117.9
458Q32.7Very low33.1Very low151 Ų151143.2 Ų143.271%0.70675%0.751SS**  171.7157.5100.4-134.7161.36500113.5
459Q33.2Very low32.8Very low151 Ų151141.2 Ų141.271%0.70675%0.748SS**  trans57.3135.9162-72.7150.130.100118.9
460Q34.5Very low33.1Very low178 Ų178144 Ų14483%0.83275%0.751SS**  cis91.6107.926.9-172.1-164.418.600115.1
461S35.8Very low32.6Very low95 Ų95145.3 Ų145.366%0.66475%0.752SS**  trans-171124.3148.3570000114.5
462Q35Very low32.7Very low188 Ų188147.8 Ų147.888%0.87975%0.752SS**  60.9148.5128.9-62.3175.719.500119.8
463S33.3Very low32.8Very low97 Ų97148.5 Ų148.568%0.67875%0.747SS**  cis-157.6-179.44.646.90000108.6
464Q35.5Very low32.9Very low153 Ų153148.5 Ų148.572%0.71574%0.742SS**  cis-154.6151.126.1-60.8177.24.800112.4
465Q36.5Very low33Very low152 Ų152148.9 Ų148.971%0.7174%0.744SS**  trans59.1151.7145.9-65.817540.100119.4
466Q34.7Very low33.2Very low155 Ų155146.2 Ų146.272%0.72474%0.741SS**  cis-150.1161.98.6-138.3168.260.200110.5
467N33Very low33.4Very low127 Ų127146.3 Ų146.368%0.67975%0.747SS**  trans8.4151.2164.3-66.427000121.7
468E36Very low33.4Very low169 Ų169149.5 Ų149.579%0.7976%0.756SS**  cis-157165.618.8-138.6149.6-112.200111.5
469A28.4Very low33.4Very low89 Ų89145.3 Ų145.374%0.73675%0.754SS**  trans-152.4145-179.700000114.1
470Y32.7Very low33.4Very low235 Ų235147.1 Ų147.192%0.92276%0.762SS**  trans-141.9166.7164.7-97.3-81.2000111.2
471N26.6Very low33.2Very low128 Ų128143.8 Ų143.868%0.68476%0.759SS**  trans-137.3-168.9-151.2-161.1-3.7000112.7
472Y33.5Very low33.1Very low204 Ų204145.9 Ų145.980%0.877%0.767SS**  trans87136.7-179.7-54.7-71.6000115.8
473Q32.2Very low32.8Very low145 Ų145142.1 Ų142.168%0.67876%0.762SS**  cis153.2141.3-42.4-174.3-170.5-21.800109.4
474T33.7Very low32.7Very low115 Ų115145.3 Ų145.371%0.70677%0.768SS**  trans71.7145.8178.3770000116.4
475N31.8Very low32.4Very low152 Ų152142.7 Ų142.781%0.81377%0.773SS**  cis-152.4162.5-19-119.712.8000110.6
476P37Very low32.2Very low110 Ų110141.9 Ų141.971%0.71478%0.777SS**  trans-109171-162.941-36.2000116.6
477V34.1Very low32Very low139 Ų139143 Ų14384%0.84279%0.785SS**  trans-134.7148.6158.7-179.80000109.7
478F32.4Very low32.1Very low206 Ų206143.8 Ų143.890%0.90479%0.794SS**  trans-54.2155.8-176.3-65.9-108.1000115.3
479G32.5Very low31.8Very low64 Ų64140.8 Ų140.866%0.6680%0.799SS**  cis171.7172.1-3.300000113.7
480E33.1Very low32.1Very low188 Ų188141.6 Ų141.688%0.87980%0.799SS**  trans49.5108.9161.2-60.5178.5175.100118.4
481S30.3Very low32.3Very low108 Ų108139.3 Ų139.376%0.75580%0.797SS**  cis76.998.17.4920000119.8
482V32.6Very low32.4Very low139 Ų139138.9 Ų138.984%0.84280%0.804SS**  trans-141136134.5-179.10000108.8
483S28.6Very low32.6Very low109 Ų109135.1 Ų135.176%0.76280%0.804SS**  trans-130.1156.3171.9-51.10000109.2
484M31.7Very low32.4Very low164 Ų164135.2 Ų135.281%0.80881%0.807SS**  trans-149.6111.4156.6-116.7-178.2-66.700111.9
485A30Very low32.5Very low99 Ų99138.4 Ų138.482%0.81882%0.818SS**  trans-129.8133.1162.300000107
486V32Very low32.5Very low134 Ų134137.7 Ų137.781%0.81281%0.812SS**  trans-118.8126.7-179.5177.60000108.8
487M29.6Very low32.5Very low178 Ų178139.5 Ų139.588%0.87782%0.821SS**  trans-95.6137-179.5-61.3177.7-73.800111.4
488T34.5Very low32.4Very low144 Ų144140.7 Ų140.788%0.88382%0.817SS**  trans-140.7132.1150.548.50000108.7
489A31Very low32.5Very low106 Ų106136.7 Ų136.788%0.87682%0.815SS**  trans-117.3142-170.700000112.7
490S34.9Very low32.5Very low107 Ų107141.5 Ų141.575%0.74882%0.823SS**  trans-153.299.3168.960.40000113.4
491Q36.9Very low32.5Very low187 Ų187137.2 Ų137.287%0.87482%0.819SS**  trans51.3104.4139.8-54.5179.523.200119.8
492S28.5Very low33.1Very low118 Ų118137.4 Ų137.483%0.82582%0.818SS**  28.6146.3116.8-55.90000120.8
493P37.1Very low33.1Very low126 Ų126138.6 Ų138.682%0.81882%0.819SS**  cis-14417441.841.2-21.9000119.3
494M28.3Very low33.4Very low147 Ų147143.5 Ų143.572%0.72482%0.823SS**  trans-46.9153.1178.9-67.3147.532.900118.3M496M494-M496 HydrophobicContact CE-CE 3.81Å; M494-M496 HydrophobicContact CE-CG 4.47Å
495L35.8Very low33.5Very low181 Ų181139.1 Ų139.195%0.94882%0.82SS**  trans-131.8132.4137.9-112.3157.5000108.4
496M31Very low33.4Very low137 Ų137140.5 Ų140.568%0.67582%0.823SS**  trans-99.1136.4-179.4-69.1180174.200111.3M494M494-M496 HydrophobicContact CE-CE 3.81Å; M494-M496 HydrophobicContact CE-CG 4.47Å
497T37.3Very low33.6Very low149 Ų149143.5 Ų143.591%0.91483%0.828SS**  trans-129.8137.915245.20000109
498Q32Very low33.8Very low163 Ų163138.5 Ų138.576%0.76282%0.815SS**  trans-103.1137.2-172.6-59.4171.639.500110.7
499S34.4Very low33.8Very low123 Ų123138.3 Ų138.386%0.8681%0.809SS**  trans-146.6147.4155.554.90000108.9
500M32.4Very low33.9Very low165 Ų165141.5 Ų141.581%0.81381%0.805SS**  trans-112.6138.7-158.5-56.5176.8-169.900112
501A34.4Very low34Very low97 Ų97142.8 Ų142.880%0.80281%0.808SS**  trans-89.9128.1168.600000110.4N503A501-N503 PolarHBondContact O-N 2.8Å
502P42Very low34Very low112 Ų112137.6 Ų137.673%0.72780%0.797SS**  trans-82.9112.117631.7-31.8000111Y504P502-Y504 HydrophobicContact CB-CD2 4.38Å
503N32.1Very low34.1Very low164 Ų164141.1 Ų141.188%0.87780%0.801SS**  trans-91.4118166.8-173.211.5000108.7A501A501-N503 PolarHBondContact O-N 2.8Å
504Y34.6Very low34.1Very low213 Ų213140.8 Ų140.884%0.83580%0.801SS**  trans-104.7135.3-174.2-109.7-81.4000112.6P502P502-Y504 HydrophobicContact CB-CD2 4.38Å
505G33.6Very low34.2Very low72 Ų72140.7 Ų140.774%0.74280%0.804SS**  trans-70.1164.3-159.900000116.9
506S29.2Very low34.2Very low127 Ų127142.2 Ų142.289%0.88880%0.803SS**  trans-92.2122165.1-65.80000110.4
507E35Very low34.2Very low197 Ų197140.9 Ų140.992%0.92181%0.807SS**  trans-173.9149.9165.6-105.2171-158.900107.2
508A34.2Very low33.9Very low73 Ų73140.9 Ų140.960%0.60380%0.801SS**  cis-165.6168.2-29.300000109.3
509N35.5Very low34Very low140 Ų140139.1 Ų139.175%0.74980%0.802SS**  trans77.8116.9162-53.3-53.9000121.1
510H33.8Very low33.9Very low174 Ų174139.7 Ų139.781%0.80680%0.795SS**  trans33.5142.2133.7-54.3-73.8000121.4
511V36.4Very low34Very low133 Ų133137.1 Ų137.181%0.80679%0.789SS**  -163154.961.3161.30000112.1
512A36.3Very low34Very low78 Ų78140.5 Ų140.565%0.64579%0.789SS**  trans64.5113.8167.300000117.9
513Q31.8Very low33.8Very low193 Ų193144 Ų14490%0.90280%0.795SS**  63.6121.880.4-67.5-178.3-400113.4
514S36Very low33.9Very low119 Ų119142.6 Ų142.683%0.83279%0.786SS**  cis-150.2165.650480000114.8
515N29.9Very low33.9Very low144 Ų144138.7 Ų138.777%0.7778%0.78SS**  trans-91.7159.7-179.3-55.9-48000112.4
516F35.6Very low34Very low214 Ų214142.2 Ų142.294%0.93978%0.777SS**  -156.9165.5122-106.8-69.2000111
517S32.6Very low34.2Very low108 Ų108143.1 Ų143.176%0.75577%0.771SS**  trans-140.4167.2-161.7-52.40000113.8
518N29.4Very low34.1Very low149 Ų149139.9 Ų139.980%0.79776%0.76SS**  trans-46.7150.7177.9-59.1-31.8000114.9
519T34.5Very low34.1Very low127 Ų127141.7 Ų141.778%0.77977%0.766SS**  175.1152.4114.529.80000116.4
520N33.4Very low34Very low134 Ų134140.7 Ų140.772%0.71777%0.77SS**  trans73.499141.8-65.1-4.1000125.1
521T34.9Very low33.9Very low112 Ų112135.7 Ų135.769%0.68777%0.766SS**  47.8128.8116.253.10000125.4
522Q33.3Very low33.9Very low168 Ų168139.1 Ų139.179%0.78577%0.773SS**  trans72.3111.6137.4-68.3-176.226.400122.6
523Q37.4Very low33.6Very low184 Ų184139.6 Ų139.686%0.8678%0.777SS**  172.7116.6126.7-93.516913.200107.3
524I34.8Very low33.5Very low135 Ų135140.4 Ų140.469%0.69277%0.773SS**  82.1131.361.2-68.6177.5000113.6
525N35Very low33.4Very low131 Ų131141.2 Ų141.270%0.70177%0.768SS**  trans81.1141.8-179.4-58.4-35.1000117
526Q35.2Very low33.6Very low146 Ų146142.9 Ų142.968%0.68277%0.768SS**  cis-164.5152.9-14.7-115.8169.951.700109.5
527L33.4Very low33.7Very low147 Ų147138.5 Ų138.577%0.7776%0.761SS**  trans40.2141.9140.9-63.9167.9000120.3
528N32.6Very low33.5Very low128 Ų128138.6 Ų138.668%0.68476%0.757SS**  cis-167.1149.815.9-173.142.9000110.3
529P35.4Very low33.8Very low112 Ų112137.3 Ų137.373%0.72776%0.755SS**  trans-95.3124.3171.433.9-31.7000114.2
530S32.9Very low33.8Very low118 Ų118138.7 Ų138.783%0.82575%0.752SS**  trans-170.8146.1162.2-73.60000107.3
531G32Very low33.9Very low70 Ų70139.2 Ų139.272%0.72275%0.75SS**  cis124.3897.900000111
532Q35.3Very low34Very low205 Ų205141.4 Ų141.496%0.95875%0.753SS**  trans-167.8166160.3-112.6170.335.100111.5
533A29.6Very low34.2Very low88 Ų88139.3 Ų139.373%0.72774%0.743SS**  trans-122.6-169.7-170.200000112.6
534Y30.9Very low34.3Very low210 Ų210138.1 Ų138.182%0.82474%0.737SS**  trans93.2131.8165.3-81.9-70.5000121.5
535N34.3Very low34.4Very low136 Ų136139.8 Ų139.873%0.72774%0.742SS**  trans65.9110.1144.5-69.1-23000122
536K32.7Very low34.8Very low178 Ų178138.7 Ų138.777%0.77474%0.742SS**  trans-46.6137.5144.7169.3-171.1178.7-177.90112.7
537P38Very low34.7Very low122 Ų122142.4 Ų142.479%0.79275%0.75SS**  trans-122.1135.8147.735-23.9000112.4
538T29Very low34.9Very low110 Ų110139.5 Ų139.568%0.67575%0.747SS**  trans-104.3136.1161.3370000109.1
539V35.6Very low35.1Very low122 Ų122141.4 Ų141.474%0.73975%0.752SS**  trans-172.1128.3150.9133.10000111.4
540Q33Very low35.2Very low157 Ų157140.5 Ų140.573%0.73475%0.748SS**  trans27.1152.9138.2-39.5169.3-3.200120.6
541Q37.4Very low35.4Very low144 Ų144142.8 Ų142.867%0.67375%0.746SS**  cis-162.614844.5-69.5-179.5-1200114.4
542Q36Very low35.5Very low158 Ų158149.1 Ų149.174%0.73875%0.75SS**  trans60.8156.4135.1-67.8178.5-6.200121.4
543H37Very low35.5Very low124 Ų124148.7 Ų148.757%0.57475%0.745SS**  cis-157.4164.84.4-140.7-75.3000113.6
544H39.1Very low36Very low159 Ų159149.8 Ų149.874%0.73674%0.744SS**  trans82.1154.5166.8-46.9108.5000119.8
545Q38.9Very low36.5Very low170 Ų170146 Ų14679%0.79475%0.745SS**  -162.3175.1-53.3-115.2-160.1-35.500110.7
546P41.6Very low36.3Very low109 Ų109145.8 Ų145.871%0.70875%0.749SS**  -141.6-178.3-129.345-25.1000120.7
547R33.4Very low36.5Very low223 Ų223146.4 Ų146.484%0.84276%0.755SS**  trans92114.1136.1-171.5-176.4-176.5135.81.5123.3
548A37.6Very low36.3Very low87 Ų87148.6 Ų148.672%0.71976%0.755SS**  trans-168.7124.7137.200000108.9
549Q38.3Very low36.4Very low167 Ų167148.1 Ų148.178%0.7876%0.756SS**  64.7128.183.1-85-179.4-26.500114.8
550S37.2Very low36.3Very low93 Ų93150.5 Ų150.565%0.6576%0.759SS**  cis-160.5152.211-68.30000114.1
551Q36.5Very low36.1Very low166 Ų166148.4 Ų148.478%0.77676%0.757SS**  trans43.5156.7144.4-59176.8-21.600121.6
552Y34.1Very low35.7Very low204 Ų204148.1 Ų148.180%0.876%0.76SS**  cis-145.5-176.925.8-128.3-83.6000112.9
553F35Very low35.3Very low196 Ų196147.6 Ų147.686%0.8676%0.761SS**  trans-105.5159.8-170.1-99.3-111000116.5
554P41.2Very low35.2Very low110 Ų110149.1 Ų149.171%0.71477%0.772SS**  trans-112.9165.4175.141.8-34.9000115.8
555P40.6Very low35Very low130 Ų130149.7 Ų149.784%0.84478%0.775SS**  trans-132178.5154.639.2-25.9000115
556T30.7Very low34.7Very low133 Ų133147.3 Ų147.382%0.81677%0.774SS**  trans-111.8156.3-175.150.80000114.5
557Q37.1Very low34.2Very low190 Ų190150.3 Ų150.389%0.88878%0.779SS**  trans-163.9-173.9140.2-119.1176.3101.500115
558Q33Very low34.4Very low169 Ų169144.5 Ų144.579%0.7977%0.77SS**  trans-112.3167-151.2-55.7171.3-51.700116.5
559S31.1Very low34.2Very low99 Ų99150 Ų15069%0.69278%0.781SS**  trans90.9133.1136.3-80.40000123.4
560Q33Very low33.8Very low172 Ų172149.8 Ų149.880%0.80478%0.784SS**  trans77.999.1145.6-68.7-178.911.300122.2
561T29.7Very low33.6Very low114 Ų114149.7 Ų149.770%0.69979%0.788SS**  52.4105.8115.7-34.40000119.7
562N29.7Very low33.4Very low137 Ų137150.4 Ų150.473%0.73379%0.792SS**  -173.9153.7103.3-104.3-67.1000115.7
563L26.5Very low33.5Very low147 Ų147146.5 Ų146.577%0.7779%0.794SS**  trans4.8125.4149.5-103.868000119.9
564I34Very low33.1Very low156 Ų156146.5 Ų146.580%0.879%0.794SS**  170.7135.6113.4-88.7153000110.9
565Q35.1Very low32.9Very low172 Ų172150.8 Ų150.880%0.80481%0.805SS**  trans-90.6141.4171.2-173.1-172.531.100110.1
566P32.4Very low32.7Very low119 Ų119152.2 Ų152.277%0.77380%0.8SS**  -138.2168.6128.633.6-19.5000114.4
567Q31.8Very low33.1Very low173 Ų173151.7 Ų151.781%0.80880%0.799SS**  trans-102.2-161.3-172.3-155.4-165.2-3.900110.9
568P37.7Very low33Very low101 Ų101146.2 Ų146.266%0.65678%0.782SS**  -97.2170.7-111.439.8-27.6000115.5
569Q34.4Very low32.8Very low201 Ų201145 Ų14594%0.93978%0.781SS**  trans-139.9161.6151.6-80.8-152.4-24.100113.5
570I28.9Very low32.9Very low164 Ų164150.4 Ų150.484%0.84179%0.792SS**  trans-110.8141.1-162.7-64.8154.8000110.5
571A32.4Very low32.7Very low91 Ų91149.7 Ų149.775%0.75279%0.789SS**  trans-168111.8146.800000114.7
572Q33Very low32.9Very low181 Ų181153.9 Ų153.985%0.84680%0.798SS**  36.1133.8129.4-57.2174.42.600119.9
573S35.6Very low32.9Very low122 Ų122154.1 Ų154.185%0.85379%0.794SS**  -171.1177.773.839.90000114.5
574F27.8Very low33.2Very low195 Ų195154.3 Ų154.386%0.85580%0.796SS**  trans-92.1158-162.8-81-120.3000115.8
575Q37.2Very low33.1Very low201 Ų201155.3 Ų155.394%0.93980%0.797SS**  -171.3169.6110.7-101.1175.2-1.300114.5
576Q34.6Very low33.1Very low159 Ų159151.8 Ų151.874%0.74379%0.789SS**  trans-139.1168-162.8-158.9-169.91000110.6
577P40.7Very low33.1Very low122 Ų122155.1 Ų155.179%0.79280%0.795SS**  -151.4121.1112.634.7-15.5000118.1
578S33.6Very low32.9Very low75 Ų75155.3 Ų155.352%0.52480%0.796SS.*  31.1122.8128.7-49.10000125.5
579N30.3Very low32.6Very low144 Ų144159.5 Ų159.577%0.7781%0.806SS**  65.7129.8122.5-64.4-16.6000124.3
580F31.8Very low32.3Very low213 Ų213157.9 Ų157.993%0.93480%0.799SS**  -141144.2118.3-112.9-82.9000110.1
581Q30.3Very low32.4Very low156 Ų156157.7 Ų157.773%0.72979%0.794SS**  trans-150.5149.4-179.6-168-166.531.200109.4
582F33.6Very low32.2Very low202 Ų202160.3 Ų160.389%0.88680%0.795SS**  trans-147.8164.8153.7-113-77.9000111.7
583Q29.7Very low32.4Very low143 Ų143158.3 Ų158.367%0.66880%0.795SS**  trans-146.3143.9-155.4169.1-173.17.600109.7
584N33.3Very low32.3Very low151 Ų151155.8 Ų155.881%0.80778%0.781SS**  trans179.2156.5131.1-99.3-56.3000115.8
585Q30.9Very low32.5Very low176 Ų176153.6 Ų153.682%0.82278%0.779SS**  trans-107-168.6167.2-113.3-174.820.300107.9
586P35.6Very low32.5Very low98 Ų98151.8 Ų151.864%0.63677%0.77SS**  cis-136.3-161.1-3.922.35.5000113.9
587Q31.6Very low32.7Very low189 Ų189150.3 Ų150.388%0.88377%0.772SS**  trans101.1162150.3-59.8-157.8-300120.3
588Q27.6Very low32.6Very low178 Ų178150.1 Ų150.183%0.83277%0.771SS**  trans-105.7149.9-163.5-50.1165.71.800111
589Q30.9Very low32.8Very low188 Ų188151.4 Ų151.488%0.87979%0.786SS**  -176.5179.9114.8-103.3-1787.600113.2
590Q29.3Very low32.9Very low168 Ų168149.2 Ų149.279%0.78578%0.782SS**  trans-73.4177.2176.1-60157.8300109.5
591Q30.8Very low33Very low159 Ų159145.5 Ų145.574%0.74377%0.772SS**  cis-168.2156.231.2-158.9165.619.600112.7
592L28.5Very low33Very low146 Ų146146.3 Ų146.376%0.76478%0.776SS**  trans20.8133.7160.6-89.365.8000122.3
593V36.1Very low33Very low139 Ų139145.9 Ų145.984%0.84277%0.774SS**  169.7136.8113.8153.40000108.2
594A34.3Very low33.2Very low69 Ų69147.7 Ų147.757%0.5778%0.782SS**  cis136.6101.4-15.100000111.4
595N32.7Very low33.5Very low150 Ų150146 Ų14680%0.80278%0.779SS**  trans-165.6119.3150.4-96.1-21.9000106.2
596Q36.8Very low33.4Very low162 Ų162146.1 Ų146.176%0.75778%0.78SS**  71137.161-62.1-167.152.700112.4
597T38.3Very low33.4Very low128 Ų128149.6 Ų149.679%0.78579%0.788SS**  cis-147.7162.929-19.50000113
598P39.6Very low33.5Very low119 Ų119148.8 Ų148.877%0.77378%0.784SS**  trans-129.1-179.5-167.243.9-29.9000116.7
599A36.4Very low33.8Very low101 Ų101149 Ų14984%0.83578%0.784SS**  trans-174.8155.7149.900000112.5
600S32.8Very low33.7Very low98 Ų98145.5 Ų145.569%0.68578%0.781SS**  cis-167.3157.3-38.4-153.70000111.5
601N34.5Very low33.9Very low136 Ų136143.2 Ų143.273%0.72778%0.778SS**  trans67.6120.9163.5-48-14.5000117.1
602Q30.2Very low33.9Very low173 Ų173142.9 Ų142.981%0.80878%0.777SS**  cis75119.146.2-69-165.3-17.900116.8
603F32.6Very low34.1Very low192 Ų192143.8 Ų143.884%0.84278%0.777SS**  -168.3149.9115.4-112.4-76.1000112.5
604H35.2Very low33.7Very low181 Ų181141.3 Ų141.384%0.83877%0.766SS**  trans-161.3140.5170.9-103.570.1000108.8
605P38.5Very low33.6Very low115 Ų115147.3 Ų147.375%0.74778%0.782SS**  -141.2153.6114.931.2-14.6000111.9
606Q29.8Very low33.5Very low180 Ų180149.1 Ų149.184%0.84179%0.786SS**  cis84.597.742-163.1-158.969.200115.3
607Q35.3Very low33.3Very low171 Ų171150.8 Ų150.880%0.79979%0.793SS**  trans173.2155.1153.5-102179.92800108.4
608Q34Very low32.9Very low171 Ų171152.9 Ų152.980%0.79980%0.795SS**  cis-153.4-178.5-21.6-139.1168.415.500108.9
609Q32.2Very low32.6Very low182 Ų182156.9 Ų156.985%0.8580%0.8SS**  trans-105.7177.4-168.7-68176.3-39.500115.1
610S30.2Very low32.6Very low115 Ų115157 Ų15780%0.80480%0.795SS**  trans93.9148159.986.10000117.5
611V33.6Very low32.9Very low121 Ų121159.9 Ų159.973%0.73380%0.801SS**  cis-159.8149.9-141190000111.3
612Q31.1Very low33.8Very low151 Ų151158.9 Ų158.971%0.70680%0.802SS**  trans36.8136.7157.9-68.5179.1-31.900124.4
613Q31.9Very low34.8Very low165 Ų165156.1 Ų156.177%0.77180%0.8SS**  trans65.6151.6138.5-69.2178.220.300119.8
614S28Very low35.5Very low87 Ų87152.4 Ų152.461%0.60880%0.795SS**  cis-166.5143.7-2152.70000110.5
615Q32.5Very low36.4Very low196 Ų196149.5 Ų149.592%0.91679%0.792SS**  trans178.4159.5134.8-102.6160.3100.500112.8
616Q29.2Very low36.7Very low187 Ų187149.8 Ų149.887%0.87479%0.794SS**  trans-89.6146.2177.7-60.6158-34.900110.4
617Q33.7Very low36.8Very low197 Ų197147.6 Ų147.692%0.92179%0.793SS**  trans-151149135.6-117.3167.244.400110.8
618Q30Very low36.6Very low173 Ų173145.8 Ų145.881%0.80880%0.798SS**  trans-120.5128.3-158.7172.2-178.1-21.800109
619F33.8Very low36.7Very low203 Ų203146.2 Ų146.289%0.8980%0.8SS**  trans-112.7134.4170.5-97.2-86000110.6
620S36.2Very low36.6Very low103 Ų103145.2 Ų145.272%0.7280%0.8SS**PPolyproline II helixtrans-85.5147.2-165-49.40000113.3
621L37.5Very low36.8Very low158 Ų158148.7 Ų148.783%0.82780%0.802SS**PPolyproline II helixtrans-71.1150.2163.8-7380.1000110.3
622P54.9Low36.7Very low115 Ų115151.6 Ų151.675%0.74781%0.808SS**PPolyproline II helixtrans-71.7151.6168.331.8-34.8000111.4
623P51.5Low36.9Very low116 Ų116153.3 Ų153.375%0.75382%0.819SS**PPolyproline II helixtrans-78.6155.2177.633-35.5000112.7
624P45.5Very low36.8Very low114 Ų114151.7 Ų151.774%0.7482%0.815SS**PPolyproline II helixtrans-72.4156.317231.9-35.6000112.1
625P54.9Low37.1Very low119 Ų119155.6 Ų155.677%0.77383%0.828SS**PPolyproline II helixtrans-70.1146.1175.130.1-34.8000111.8
626P44Very low37.1Very low122 Ų122153.6 Ų153.679%0.79282%0.819SS**PPolyproline II helixtrans-77.6146-178.631.5-35.2000112.9
627T33.6Very low37.4Very low133 Ų133153.7 Ų153.782%0.81682%0.819SS**PPolyproline II helixtrans-74.6125172.235.10000111.8Q629T627-Q629 PolarHBondContact O-N 2.85Å
628C30.5Very low37.5Very low134 Ų134148.3 Ų148.391%0.90581%0.808SS**  trans-85.7101.2167.1-75.30000110.2
629Q35.7Very low37.7Very low179 Ų179145.8 Ų145.884%0.83681%0.805SS**  trans-75.1148.7165.9-77.4-172.6-29.200111.6T627T627-Q629 PolarHBondContact O-N 2.85Å
630L29.3Very low37.9Very low162 Ų162142.5 Ų142.585%0.84880%0.797SS**  trans-49.6133.1172.4-167.685000111.7
631H34.9Very low38Very low187 Ų187145 Ų14587%0.86680%0.801SS**  trans-145.3135.4155.9-109.668.7000111.2
632Q31.6Very low38.1Very low182 Ų182142.6 Ų142.685%0.8580%0.795SS**  trans-109.9118.6-172.8176-170.689.500109.6
633M35.6Very low37.2Very low188 Ų188141.6 Ų141.693%0.92679%0.791SS**  trans-156.1151.9159.9-119.7-168.5-66.200111.3
634N30.4Very low36.6Very low131 Ų131144.4 Ų144.470%0.70179%0.794SS**  trans-147.8123.9-170.11714.1000109.3
635L33.9Very low36Very low169 Ų169143.8 Ų143.889%0.88579%0.788SS**  trans-161177141.4-131.267.7000111.6
636Q32.5Very low35.1Very low154 Ų154145.4 Ų145.472%0.7279%0.785SS**  trans-121.8-175.8-149.2-58.9175.1-1700114.7
637Q34.3Very low34.8Very low188 Ų188146.3 Ų146.388%0.87978%0.779SS**  trans91.6140.5164.7-52.3-177.59.400115.5
638A36.4Very low34.8Very low84 Ų84147.1 Ų147.169%0.69477%0.773SS**  cis-129.5-169.34.500000110.4
639T35.5Very low35.1Very low120 Ų120146.8 Ų146.874%0.73676%0.763SS**  cis-161-175.316.7-26.70000110.4
640N36.4Very low35Very low134 Ų134146.6 Ų146.672%0.71776%0.762SS**  trans8468.1150.8-64.9-15.1000121.8
641L38.5Very low35.6Very low156 Ų156143.1 Ų143.182%0.81775%0.749SS**  73.9157.6113.7-100.370.6000120.9
642P41.2Very low35.6Very low107 Ų107140.8 Ų140.870%0.69575%0.747SS**  -140.8-179.2-105.344.7-27.3000116.3
643S35.9Very low35.7Very low94 Ų94136 Ų13666%0.65774%0.735SS**  178.7125.6123.9-82.90000114.8
644Q37.4Very low35.6Very low176 Ų176136.1 Ų136.182%0.82273%0.73SS**  trans58.2137.4140.7-55.5-172.952.400120.5
645T34.4Very low35.8Very low100 Ų100136.3 Ų136.361%0.61373%0.731SS**  cis-167.4143.5-7.614.10000112
646Q35.7Very low35.7Very low154 Ų154136.3 Ų136.372%0.7273%0.726SS**  trans66.4148.5149.8-61.6-179.155.600118.9
647Q37.8Very low35.9Very low140 Ų140138.4 Ų138.465%0.65474%0.737SS**  cis-160.6142.6-6.3-119.317616.100111.8
648Q33.7Very low35.8Very low150 Ų150134.7 Ų134.770%0.70173%0.731SS**  trans50.4147.3137.7-69.9-174.90.900122.6
649N35.9Very low35.8Very low128 Ų128137.6 Ų137.668%0.68474%0.74SS**  cis-153.8120.75.3-96.9-26.4000114.1
650Q34.2Very low35.5Very low175 Ų175138.6 Ų138.682%0.81874%0.741SS**  14.5173.1116.5-83.8-155.8-15.800123.7
651P41.1Very low35.5Very low88 Ų88140.5 Ų140.557%0.57175%0.745SS**  cis-155.8177.1-36.944.4-25.6000119.6
652V35.6Very low35.2Very low138 Ų138141.2 Ų141.284%0.83674%0.744SS**  trans52.3165.9149.8-69.20000122.7
653S33.4Very low34.9Very low83 Ų83146.5 Ų146.558%0.5875%0.752SS**  cis-154.7-170.92-132.90000109.8
654F32.8Very low35.2Very low189 Ų189147 Ų14783%0.82975%0.753SS**  cis-159.4-166.30.3-120.3-36.9000107
655N35.2Very low34.9Very low136 Ų136147.2 Ų147.273%0.72775%0.751SS**  cis-151.8-149.36.3-154.3-10.6000111.2
656Q32.1Very low34.8Very low168 Ų168150.5 Ų150.579%0.78576%0.76SS**  trans-145166.6179.9-53.5175.20.800114.4
657Q36.2Very low34.7Very low199 Ų199149 Ų14993%0.9377%0.767SS**  -172.1162.6128.9-108.6175.5-3.700114.7
658S32.4Very low34.5Very low110 Ų110151.2 Ų151.277%0.76978%0.777SS**  trans-156.8152.5-172.857.90000113.8
659V36.6Very low34.7Very low145 Ų145149.1 Ų149.188%0.87978%0.776SS**  trans-147.7151.5173.9-1710000111.2
660N29.8Very low34.6Very low140 Ų140148 Ų14875%0.74978%0.778SS**  trans-120.6175.2-176.5-172.9-1.3000110.7
661H36.6Very low34.3Very low175 Ų175147.5 Ų147.581%0.8178%0.776SS**  trans179.6124.1150.2-10284.5000116.8
662Q30.9Very low33.9Very low171 Ų171150.4 Ų150.480%0.79979%0.791SS**  trans17150.7151.8-123.477.6-11.800128.4
663Y34.4Very low33.6Very low218 Ų218150.2 Ų150.286%0.85578%0.781SS**  trans-71.1-175.9167.7-84-84.1000115.8
664P42.5Very low33.6Very low104 Ų104153.9 Ų153.968%0.67579%0.79SS**  cis-160.5-177.232.547.5-24.1000124
665F32.7Very low33.7Very low180 Ų180150.4 Ų150.479%0.78979%0.786SS**  trans84.9121.6142.2-90.3-60.7000127.4
666Q31.5Very low33.4Very low169 Ų169150.8 Ų150.879%0.7979%0.786SS**  trans64.2120.5135.3-108.5176.29.700125.6
667S34.4Very low33.5Very low124 Ų124149 Ų14987%0.86779%0.789SS**  174165.8109.945.50000114.6
668Q31.9Very low33.1Very low186 Ų186145.2 Ų145.287%0.86978%0.78SS**  trans-136.9-178.9179.8-120.1-165.9-1.700107.9
669P39.2Very low33.3Very low106 Ų106147.4 Ų147.469%0.68878%0.783SS**  cis-141.8-162.415.335.5-10.2000116.3
670S32.2Very low32.9Very low103 Ų103149.2 Ų149.272%0.7278%0.782SS**  trans118.989.2141.5-62.30000121.3
671Q29.3Very low32.9Very low166 Ų166153.7 Ų153.778%0.77679%0.788SS**  16120.7128.6-65.6-79.3-1.900120.8
672V32.9Very low32.6Very low148 Ų148156.3 Ų156.390%0.89779%0.791SS**  trans-143.3156.5142.9-175.50000108.2
673Q28.9Very low32.8Very low134 Ų134156.8 Ų156.863%0.62679%0.793SS**  trans-136.4140.1-152.4173.974.70.200113.9
674Q33.9Very low32.5Very low161 Ų161155.2 Ų155.275%0.75279%0.794SS**  trans68.1167.8160.1-84172.22.700119.3
675P33.5Very low31.9Very low116 Ų116156.5 Ų156.575%0.75380%0.8SS**  cis-121.1172.33.633.6-15.2000117
676I28.9Very low32Very low143 Ų143155.1 Ų155.173%0.73381%0.806SS**  trans-102.2129.5175.7-62.5162.7000109.1T678I676-T678 PolarHBondContact O-N 2.72Å
677P34.2Very low31.9Very low130 Ų130154.8 Ų154.884%0.84481%0.809SS**  trans-71119.7165-11.927.9000109.7
678T29.4Very low31.6Very low121 Ų121151.8 Ų151.874%0.74280%0.797SS**  trans-119.9107.4173.2-54.30000108.7I676I676-T678 PolarHBondContact O-N 2.72Å
679D34.8Very low31.4Very low155 Ų155152.1 Ų152.183%0.82980%0.799SS**  trans-139.594.2170.5-145.1-30000112.1
680Q29.5Very low31Very low183 Ų183152.9 Ų152.986%0.85580%0.802SS**  trans-117.6100.3162.4-82.6-167-6.200108.5
681R29.1Very low30.8Very low234 Ų234156.7 Ų156.788%0.88381%0.808SS**  trans-179.8105.7142.5-104.7169.7-178.7-151.92.6113.3
682R30.3Very low30.9Very low231 Ų231155.4 Ų155.487%0.87281%0.812SS**  -173.2160.9124.5-109168.2-178.9-120.2-1.6113.6
683Q34.4Very low30.6Very low180 Ų180153.3 Ų153.384%0.84180%0.803SS**  trans68.483.3163.1-69.1170.3108.200117.1
684Q28.8Very low30.6Very low185 Ų185153.7 Ų153.786%0.86481%0.808SS**  trans-67.7171.4144.4-59.6168.5-78.200110.5
685V29.7Very low30.5Very low132 Ų132149.5 Ų149.580%0.880%0.802SS**  trans77.685.6163.8-163.50000116.7
686V34.4Very low30.3Very low151 Ų151150.4 Ų150.492%0.91581%0.805SS**  -133.3149.3106.8179.30000107.1
687N29.2Very low30.4Very low162 Ų162149.7 Ų149.787%0.86681%0.806SS**  trans-138.2132.1-179.4-175.315000109.3
688G29.8Very low30.2Very low60 Ų60149 Ų14962%0.61980%0.8SS**  trans163.5100.1175.300000115.9
689Q27.9Very low30.2Very low193 Ų193147.4 Ų147.490%0.90280%0.799SS**  trans56.2140.5145.8-48.8-173.8-77.100118.4
690V30.7Very low30Very low123 Ų123147.5 Ų147.575%0.74580%0.799SS**  cis-134.5146.920.2174.40000110T692V690-T692 HydrophobicContact CG1-CG2 4.19Å
691Q27.4Very low30.1Very low183 Ų183145.4 Ų145.486%0.85580%0.799SS**  trans-98.6130.8165.2-70.7178.5-57.700110.4
692T31.5Very low30.2Very low139 Ų139138.6 Ų138.685%0.85379%0.792SS**  trans-13594.9165.147.30000109.8V690V690-T692 HydrophobicContact CG1-CG2 4.19Å
693S25.9Very low30.5Very low103 Ų103133.6 Ų133.672%0.7279%0.79SS**  trans-125122.1169.549.70000109.3
694I30.2Very low30.4Very low142 Ų142131.5 Ų131.573%0.72879%0.79SS**  trans-179140.9173.2-98.3145.7000106.2
695A30.4Very low30.8Very low74 Ų74128.2 Ų128.261%0.61278%0.784SS**  cis-161.6131.4-26.100000108.3V697A695-V697 PolarHBondContact O-N 2.74Å
696V29.5Very low30.8Very low135 Ų135130.7 Ų130.782%0.81879%0.792SS**  trans-80.4116.3172179.10000109.2T698V696-T698 PolarHBondContact O-N 2.81Å
697V31.1Very low30.8Very low127 Ų127126.5 Ų126.577%0.7778%0.78SS**  trans-9284.3180-177.10000110.3A695 A699A695-V697 PolarHBondContact O-N 2.74Å; V697-A699 PolarHBondContact O-N 3.17Å
698T30.3Very low30.8Very low117 Ų117125.4 Ų125.472%0.71878%0.779SS**  trans-7782176.6-46.10000111.5V696 L700V696-T698 PolarHBondContact O-N 2.81Å; T698-L700 PolarHBondContact O-N 2.84Å; T698-L700 VanDerWaalsContact O-N 3.16Å
699A30.2Very low30.8Very low87 Ų87128.6 Ų128.672%0.71979%0.792SS**  trans-86.666.4-18000000113.1V697V697-A699 PolarHBondContact O-N 3.17Å
700L30.3Very low30.8Very low156 Ų156128 Ų12882%0.81779%0.789SS**  trans-12397.8171.4-83.1172.8000111.6T698T698-L700 PolarHBondContact O-N 2.84Å; T698-L700 VanDerWaalsContact O-N 3.16Å
701T32.2Very low30.9Very low139 Ų139131.2 Ų131.285%0.85380%0.796SS**  trans-133.580.7168.121.40000110.5
702A30Very low30.8Very low91 Ų91129.4 Ų129.475%0.75279%0.792SS**PPolyproline II helixtrans-77.6128.2167.700000110.3
703P37.1Very low30.7Very low126 Ų126129 Ų12982%0.81879%0.793SS**PPolyproline II helixtrans-83.6120.1168.431.6-30.2000110.4
704T32.8Very low30.9Very low137 Ų137132.6 Ų132.684%0.8480%0.799SS**PPolyproline II helixtrans-75.5159.7176.426.40000113
705P35.4Very low31Very low116 Ų116131.5 Ų131.575%0.75380%0.801SS**  trans-104.7175.1-146.540.3-38.9000115.8
706L31.7Very low31Very low183 Ų183135.7 Ų135.796%0.95881%0.812SS**  trans-142.6146.7166.1-131.884.4000110.4
707G32.8Very low31.1Very low64 Ų64137.7 Ų137.766%0.6681%0.813SS**  trans106.864.8154.200000120.3
708T29.7Very low31.2Very low138 Ų138140.7 Ų140.785%0.84782%0.818SS**  trans32.3123.2133.156.70000121.8
709S30.8Very low31.3Very low127 Ų127144.1 Ų144.189%0.88883%0.826SS**  177.5170.7106.846.30000112.6
710Q27.8Very low31.6Very low181 Ų181144.6 Ų144.685%0.84682%0.822SS**  trans-115.6142.6-171.2-62.2174.6-15.100112.8
711Q31.5Very low31.7Very low191 Ų191143.7 Ų143.789%0.89382%0.818SS**  trans167.9109.3143-93.4158.127.200107
712N26.7Very low31.8Very low145 Ų145142.4 Ų142.478%0.77581%0.81SS**  66.598.959-169.926.9000114.4
713C27.6Very low31.9Very low129 Ų129144.2 Ų144.287%0.87281%0.807SS**  trans-157.8145.7149-107.40000110.4
714Q30.4Very low31.6Very low179 Ų179143.5 Ų143.584%0.83680%0.8SS**  trans-106.2163.5177.6-95-178.6-32.700111.6
715P32.4Very low31.7Very low120 Ų120143.1 Ų143.178%0.77980%0.798SS**  trans-78.1159.8-171.932.4-37.1000113.7
716L31.5Very low31.4Very low162 Ų162144.5 Ų144.585%0.84880%0.799SS**  trans-133.9147.2171.5-132.685.2000111.8
717Q29.8Very low31.7Very low177 Ų177141.2 Ų141.283%0.82779%0.789SS**  trans-87149.4175.1-58.1167.1-9.900110.8
718Q33.6Very low31.6Very low189 Ų189141.9 Ų141.988%0.88380%0.795SS**  -162.6147.1127.6-112.1146.310700116.1
719Q32.7Very low31.8Very low189 Ų189141.8 Ų141.888%0.88379%0.79SS**  trans-77.1-178.4-170.6-102.4-169.3-30.100115
720P36.2Very low32Very low97 Ų97141.4 Ų141.463%0.6378%0.778SS**  trans-107.5-169.8-152.644.2-39.1000114
721N33.1Very low32.4Very low137 Ų137138.9 Ų138.973%0.73377%0.77SS**  -179.7137126.3-98.4-32.1000115.6
722T33.1Very low32.6Very low113 Ų113136.9 Ų136.969%0.69377%0.766SS**  trans62.7158.2140.1650000120.1
723N32.7Very low32.9Very low129 Ų129136.4 Ų136.469%0.6976%0.763SS**  cis-158.7156.3-2.2-125-2.8000111.6
724T31.9Very low33.2Very low110 Ų110137.2 Ų137.268%0.67576%0.758SS**  trans37.1145.1144.562.40000121.5
725T35Very low33.3Very low130 Ų130135 Ų13580%0.79875%0.752SS**  cis-164.3154.340.7-31.20000114.3
726N29Very low33.2Very low145 Ų145134.5 Ų134.578%0.77575%0.751SS**  trans-59.1-174162.7-118-16.9000114.5
727P37Very low33.1Very low114 Ų114130.1 Ų130.174%0.7475%0.746SS**  cis-142.6173.9-13.336.5-16.9000117.5
728G31.9Very low33.1Very low77 Ų77129.2 Ų129.279%0.79475%0.746SS**  trans85.9167.9144.200000118.4
729N32.7Very low32.9Very low136 Ų136125.8 Ų125.873%0.72775%0.75SS**  cis-161.2169.8-8-171.220.1000110
730N35.2Very low32.6Very low120 Ų120123.6 Ų123.664%0.64274%0.744SS**  trans77.9145.4170.8-44.2-61.2000116.4
731N36.1Very low32.3Very low128 Ų128126.7 Ų126.768%0.68475%0.753SS**  cis-163.6171.7-19-107.1-22.7000110.3
732N35.5Very low32.1Very low149 Ų149126 Ų12680%0.79775%0.748SS**  trans73.395.8170.7-53.3-22.6000114.8
733N33.4Very low31.7Very low135 Ų135125.8 Ų125.872%0.72276%0.758SS**  cis78.596.945.5-166.621.9000114.2
734L33.6Very low31.5Very low146 Ų146123.8 Ų123.876%0.76475%0.754SS**  -166.6144113.2-124.380.4000112.7
735N31.8Very low31.2Very low133 Ų133126.5 Ų126.571%0.71177%0.765SS**  trans6.7116.3150.3-71.52.9000118.5
736S31.2Very low30.9Very low108 Ų108127.6 Ų127.676%0.75577%0.766SS**  92.4123.159.873.40000114
737G29.3Very low30.7Very low71 Ų71131.8 Ų131.873%0.73277%0.771SS**  trans108.2112.4169.800000113.9
738N29.7Very low30.3Very low158 Ų158132.2 Ų132.285%0.84578%0.775SS**  trans60.2121.9167.8-56.1-7.7000117.2L740N738-L740 PolarHBondContact O-N 3.5Å
739A30.4Very low30.2Very low116 Ų116136.3 Ų136.396%0.95978%0.778SS**  trans-72.598.4173.100000110.8
740L25.6Very low29.8Very low143 Ų143134.8 Ų134.875%0.74978%0.778SS**  trans-125.897.7175.4-179150.4000108.4N738N738-L740 PolarHBondContact O-N 3.5Å
741I29.2Very low29.4Very low162 Ų162137.7 Ų137.783%0.83179%0.79SS**  trans-149.3130179.6-60.2-175.3000108.4
742I29.9Very low28.8Very low122 Ų122136.6 Ų136.663%0.62679%0.792SS**  cis-159.6145.7-32.3-119155.3000106.3
743A24.4Very low28.6Very low110 Ų110135.2 Ų135.291%0.90979%0.791SS**  trans-84.1113.5168.900000109.7
744S28.8Very low28.4Very low87 Ų87134.8 Ų134.861%0.60879%0.794SS**  trans-139.3107.1175.259.70000111.9N746S744-N746 PolarHBondContact O-N 2.8Å
745N25.6Very low28.3Very low166 Ų166132.5 Ų132.589%0.88879%0.79SS**  trans-57.6131.3169.5-66.4-62.7000110.7
746N28.6Very low28.2Very low154 Ų154134.8 Ų134.882%0.82480%0.8SS**  trans-130115.2161.4-93.9-33.6000110S744S744-N746 PolarHBondContact O-N 2.8Å
747R24.8Very low28.2Very low233 Ų233133.3 Ų133.388%0.87980%0.802SS**  trans-84.6117.1171.2-74179.2170.7-170.5-2.6109.8
748C28.1Very low28.3Very low123 Ų123136.4 Ų136.483%0.83181%0.807SS**  trans-130.592151.9-71.30000106.2
749L29.8Very low28.6Very low162 Ų162137.1 Ų137.185%0.84881%0.811SS**  59.8102.388.3-69.7176.7000113
750S24.5Very low29.1Very low104 Ų104136.5 Ų136.573%0.72780%0.799SS**  trans-34.3137.9164.7174.40000115.4
751M27.9Very low29.8Very low182 Ų182136.5 Ų136.590%0.89780%0.799SS**  -143.7132.2117.2-68.4-152.782.200110.3
752S22.2Very low31.4Very low104 Ų104132.7 Ų132.773%0.72778%0.784SS**  trans-96.3142.2168.8-47.90000110.5
753P32.5Very low32.6Very low120 Ų120134.1 Ų134.178%0.77979%0.788SS**  trans-123.1100.4159.933.9-20.9000112S755P753-S755 PolarHBondContact O-N 3.27Å
754T27.7Very low34.4Very low127 Ų127131.8 Ų131.878%0.77977%0.768SS**  trans-85.591.5166.9480000110.7
755S32.8Very low36.1Very low98 Ų98131.4 Ų131.469%0.68576%0.759SS**  trans-162.7115.2161.658.80000113.8P753P753-S755 PolarHBondContact O-N 3.27Å
756I29.9Very low37.9Very low181 Ų181130.3 Ų130.393%0.92875%0.749SS**  trans30.8106.8136.1-50.1170.9000116.4
757G31.3Very low39.8Very low77 Ų77129.2 Ų129.279%0.79474%0.739SS**  trans-172109.816500000111.2
758T31.3Very low41.8Very low136 Ų136121 Ų12183%0.83472%0.721SS**  trans-88.5122.8169.649.20000109.4
759D35.4Very low43.4Very low173 Ų173118.3 Ų118.393%0.92571%0.708SS**  trans-148148.8157.7-101-44.3000110.9
760S40Very low45.2Very low103 Ų103117.1 Ų117.172%0.7270%0.699SS**PPolyproline II helixtrans-86.9124-175.5-173.70000110.6
761L41.7Very low47Very low143 Ų143115.1 Ų115.175%0.74969%0.689SS**PPolyproline II helixtrans-55.7140.5159.3-77.8165.7000109D765L761-D765 HydrophobicContact CD2-CB 4.16Å
762T63.4Low48.5Very low81 Ų81112.9 Ų112.950%0.49768%0.68SS.*PPolyproline II helixtrans-96.3159.5-175.263.30000111.2A764 D765T762-A764 PolarHBondContact O-N 2.86Å; T762-A764 VanDerWaalsContact O-N 3.07Å; T762-D765 PolarHBondContact N-OD2 2.87Å; T762-D765 WeakPolarHBondContact O-CB 3.48Å; T762-D765 PolarHBondContact O-N 3.13Å; T762-D765 PolarHBondContact OG1-OD2 3.06Å
763E54.1Low50.2Low152 Ų152113.7 Ų113.771%0.7168%0.676SS**Hα-helixtrans-55-28179-166.9173.3-179.600112.7Q766 Q767E763-Q766 PolarHBondContact O-N 3.09Å; E763-Q767 PolarHBondContact O-N 2.75Å
764A61.6Low51.1Low61 Ų61110.1 Ų110.150%0.50466%0.657SS.*Hα-helixtrans-63.8-36.7173.700000113.5T762 Q767 A768T762-A764 PolarHBondContact O-N 2.86Å; T762-A764 VanDerWaalsContact O-N 3.07Å; A764-Q767 PolarHBondContact O-N 2.95Å; A764-A768 WeakPolarHBondContact O-CB 3.41Å; A764-A768 PolarHBondContact O-N 3.05Å
765D65.4Low52.3Low79 Ų79107.5 Ų107.542%0.42265%0.648SS.*Hα-helixtrans-70.9-36.1179-58.6-63.1000111.1L761 T762 A768 A769L761-D765 HydrophobicContact CD2-CB 4.16Å; T762-D765 PolarHBondContact N-OD2 2.87Å; T762-D765 WeakPolarHBondContact O-CB 3.48Å; T762-D765 PolarHBondContact O-N 3.13Å; T762-D765 PolarHBondContact OG1-OD2 3.06Å; D765-A768 PolarHBondContact O-N 3.47Å; D765-A769 PolarHBondContact O-N 3.39Å
766Q62.2Low53.1Low144 Ų144106.3 Ų106.367%0.67364%0.644SS**Hα-helixtrans-67.2-40.5171.6-79.8-170.2-38.300112.1E763 A769 M770E763-Q766 PolarHBondContact O-N 3.09Å; Q766-A769 PolarHBondContact O-N 2.86Å; Q766-M770 WeakPolarHBondContact O-CB 3.04Å; Q766-M770 PolarHBondContact O-N 2.04Å
767Q69.5Low54Low130 Ų130102.6 Ų102.661%0.60763%0.63SS**Hα-helixtrans-64.5-39.1173.7-74.7-174.2-9.100112.3E763 A764 M770 A771E763-Q767 PolarHBondContact O-N 2.75Å; A764-Q767 PolarHBondContact O-N 2.95Å; Q767-M770 PolarHBondContact O-N 3.04Å; Q767-A771 VanDerWaalsContact O-CB 3.31Å; Q767-A771 WeakPolarHBondContact O-CB 3.06Å; Q767-A771 PolarHBondContact O-N 3.35Å
768A67.5Low54.5Low62 Ų62107.3 Ų107.351%0.51263%0.631SS.*Hα-helixtrans-63-44.7175.400000112.2A764 D765 L772A764-A768 WeakPolarHBondContact O-CB 3.41Å; A764-A768 PolarHBondContact O-N 3.05Å; D765-A768 PolarHBondContact O-N 3.47Å; A768-L772 WeakPolarHBondContact O-CB 3.25Å; A768-L772 PolarHBondContact O-N 3.43Å; A768-L772 VanDerWaalsContact O-N 3.08Å
769A62.1Low54.8Low66 Ų66104.1 Ų104.155%0.54563%0.625SS.*Hα-helixtrans-63.3-42.3175.500000112.4D765 Q766 L772 L773D765-A769 PolarHBondContact O-N 3.39Å; Q766-A769 PolarHBondContact O-N 2.86Å; A769-L772 PolarHBondContact O-N 3.13Å; A769-L773 PolarHBondContact O-N 3.23Å
770M65.7Low54.8Low136 Ų136104.4 Ų104.467%0.6762%0.623SS**Hα-helixtrans-69.5-37.7-179.6-162.8174.9-65.600112.4Q766 Q767 L773 A774Q766-M770 WeakPolarHBondContact O-CB 3.04Å; Q766-M770 PolarHBondContact O-N 2.04Å; Q767-M770 PolarHBondContact O-N 3.04Å; M770-L773 PolarHBondContact O-N 3.42Å; M770-A774 PolarHBondContact O-N 3Å
771A63.2Low54.4Low62 Ų62107.1 Ų107.151%0.51263%0.629SS.*Hα-helixtrans-65.5-37173.200000112.5Q767 A774 A775Q767-A771 VanDerWaalsContact O-CB 3.31Å; Q767-A771 WeakPolarHBondContact O-CB 3.06Å; Q767-A771 PolarHBondContact O-N 3.35Å; A771-A774 PolarHBondContact O-N 2.86Å; A771-A775 WeakPolarHBondContact O-CB 3.45Å; A771-A775 PolarHBondContact O-N 3.41Å
772L59.4Low53.9Low135 Ų135106.4 Ų106.471%0.70763%0.631SS**Hα-helixtrans-72.3-30.3177.8-159.4140.4000112.2A768 A769 A776A768-L772 WeakPolarHBondContact O-CB 3.25Å; A768-L772 PolarHBondContact O-N 3.43Å; A768-L772 VanDerWaalsContact O-N 3.08Å; A769-L772 PolarHBondContact O-N 3.13Å; L772-A776 PolarHBondContact O-N 3.13Å
773L57.3Low52.4Low121 Ų121112.9 Ų112.963%0.63465%0.653SS**Hα-helixtrans-70.6-42.7170.4-166.769.1000111.8A769 M770 A775 A776 T777A769-L773 PolarHBondContact O-N 3.23Å; M770-L773 PolarHBondContact O-N 3.42Å; L773-A775 PolarHBondContact O-N 3.32Å; L773-A776 WeakPolarHBondContact O-CB 3.38Å; L773-A776 PolarHBondContact O-N 3.37Å; L773-A776 VanDerWaalsContact O-N 3.08Å; L773-T777 PolarHBondContact O-N 3.49Å
774A51.3Low51.3Low46 Ų46115.1 Ų115.138%0.3866%0.655SS.*Hα-helixtrans-60.5-43.4175.100000112M770 A771 A776 T777 E778M770-A774 PolarHBondContact O-N 3Å; A771-A774 PolarHBondContact O-N 2.86Å; A774-A776 PolarHBondContact O-N 3.3Å; A774-T777 WeakPolarHBondContact CA-OG1 3.29Å; A774-T777 PolarHBondContact O-N 2.93Å; A774-T777 PolarHBondContact O-OG1 2.91Å; A774-E778 PolarHBondContact O-N 3.5Å
775A53.8Low49.9Very low72 Ų72118.7 Ų118.760%0.59566%0.661SS**Hα-helixtrans-63.4-23.3174.800000113.7A771 L773A771-A775 WeakPolarHBondContact O-CB 3.45Å; A771-A775 PolarHBondContact O-N 3.41Å; L773-A775 PolarHBondContact O-N 3.32Å
776A48.5Very low48.3Very low72 Ų72121.5 Ų121.560%0.59568%0.676SS**Hα-helixtrans-79.6-25172.700000112.9L772 L773 A774L772-A776 PolarHBondContact O-N 3.13Å; L773-A776 WeakPolarHBondContact O-CB 3.38Å; L773-A776 PolarHBondContact O-N 3.37Å; L773-A776 VanDerWaalsContact O-N 3.08Å; A774-A776 PolarHBondContact O-N 3.3Å
777T48.8Very low46.9Very low104 Ų104121.8 Ų121.864%0.63868%0.678SS**Hα-helixtrans-85.1-22.3-179.646.50000114.9L773 A774 G779L773-T777 PolarHBondContact O-N 3.49Å; A774-T777 WeakPolarHBondContact CA-OG1 3.29Å; A774-T777 PolarHBondContact O-N 2.93Å; A774-T777 PolarHBondContact O-OG1 2.91Å; T777-G779 VanDerWaalsContact C-N 3.25Å; T777-G779 PolarHBondContact O-N 2.98Å
778E43.4Very low45.2Very low176 Ų176121.9 Ų121.982%0.82269%0.687SS**THydrogen-bonded Turntrans-80.23.4-179.1-66.5-173.2164.800114.5A774A774-E778 PolarHBondContact O-N 3.5Å
779G37.4Very low43.3Very low69 Ų69125.2 Ų125.271%0.71170%0.701SS**THydrogen-bonded Turntrans-99.31-170.700000117.7T777T777-G779 VanDerWaalsContact C-N 3.25Å; T777-G779 PolarHBondContact O-N 2.98Å
780M35Very low42Very low178 Ų178128.1 Ų128.188%0.87772%0.715SS**  trans-116.47.4-158.7-153.176.7166.700115.8
781D31Very low40.1Very low160 Ų160127 Ų12786%0.85672%0.72SS**  trans-116.475.8-176.2-107-42000113.2
782T32Very low38.6Very low129 Ų129129 Ų12979%0.79173%0.73SS**  trans-176.2111.3152.311.30000111.7
783F32.1Very low37.3Very low217 Ų217129.4 Ų129.495%0.95273%0.733SS**  trans175.4109.1136-103.3-68.2000110
784R31.2Very low36Very low199 Ų199131.5 Ų131.575%0.75174%0.739SS**  trans-126.6142.3172.5-151-174.689.3148.76.7109.6
785E31.8Very low34.9Very low135 Ų135134.3 Ų134.363%0.63176%0.756SS**  trans55.7109.4171.2-70.6156.2135.200117.9
786N31.9Very low34Very low138 Ų138136 Ų13674%0.73876%0.761SS**  -166.2153.5105.7-110.1-79.5000115.2
787Q32.6Very low33.2Very low151 Ų151139.9 Ų139.971%0.70677%0.77SS**  trans66.594.5147.5-76.915956.200122.3
788T33.4Very low32.3Very low132 Ų132140.4 Ų140.481%0.8178%0.775SS**  56.3124.7118.554.40000122.1
789T27.6Very low31.7Very low131 Ų131140 Ų14080%0.80478%0.777SS**  trans-75.8166162.250.80000112.8
790P33.6Very low31.4Very low128 Ų128142.1 Ų142.183%0.83178%0.776SS**  -142.2170.6102.139.2-25.9000115.8
791S27.8Very low31.2Very low111 Ų111141.4 Ų141.478%0.77678%0.775SS**  trans-76.8159.6-170.3-37.20000116.3
792S30.5Very low31.1Very low104 Ų104139.9 Ų139.973%0.72777%0.767SS**  149.6164.1111.162.30000116.3
793L31.7Very low31.2Very low145 Ų145140.9 Ų140.976%0.75977%0.768SS**  trans81.7121.3159.8-71.1149.2000121.4
794Q31.6Very low31.3Very low164 Ų164137.5 Ų137.577%0.76676%0.758SS**  trans66114.6143.1-109.459.2-1.100123.4
795S27.8Very low31.4Very low105 Ų105133.3 Ų133.373%0.73476%0.759SS**  trans-83.8160.514557.90000110.5
796P34Very low31.4Very low107 Ų107137.4 Ų137.470%0.69577%0.769SS**  -155.2155.3102.838.2-20000117.9
797I32Very low31.4Very low155 Ų155139.4 Ų139.480%0.79578%0.778SS**  trans65.6129.7146.3-64.8163.6000119.6
798P29.3Very low31.3Very low114 Ų114138.1 Ų138.174%0.7478%0.777SS**  trans-91.7165.7176.338-36.4000114.3
799I31.8Very low31.3Very low167 Ų167137.2 Ų137.286%0.85678%0.776SS**  trans-122.8129.4168.1-63.6177.8000109.2
800V30.8Very low31.4Very low115 Ų115137 Ų13770%0.69778%0.778SS**  trans-89.4146.2176.9178.90000109.9
801N31.5Very low31.2Very low162 Ų162138.8 Ų138.887%0.86678%0.78SS**  trans-138120.2165.8-138.6-1.1000110.9
802N28.7Very low31.4Very low128 Ų128140.4 Ų140.468%0.68478%0.78SS**  trans-96.6147.8-177.5-83.1-35.1000111.6
803N33.5Very low31.4Very low151 Ų151140.8 Ų140.881%0.80778%0.778SS**  trans-163.387.1150.2-90.3-42.2000108.4
804I34.6Very low31.4Very low146 Ų146140.1 Ų140.175%0.74978%0.78SS**  69.5108.195.5-64.7167.4000113.7
805S33.8Very low31.4Very low110 Ų110137.6 Ų137.677%0.76978%0.776SS**  -174.1101.1117.953.30000114.5
806R31.3Very low31.7Very low222 Ų222139 Ų13984%0.83878%0.775SS**  trans42120.5145.6-70.8177.6164.4150.1-1.8121.5
807L32.7Very low31.7Very low179 Ų179139.4 Ų139.494%0.93778%0.776SS**  -137.7146.7110.2-137.974.1000108.7
808D29.7Very low31.9Very low125 Ų125137.1 Ų137.167%0.66877%0.769SS**  trans-120.5166.5-166.1-92.5-63.2000113
809S32.2Very low32.1Very low113 Ų113138.4 Ų138.479%0.7977%0.77SS**  trans75.8145.1173.980.50000116.5
810C30.1Very low32.3Very low125 Ų125136.7 Ų136.785%0.84577%0.767SS**  cis-124.5149.37.8-72.80000112.9
811L30.2Very low32.4Very low166 Ų166136.6 Ų136.687%0.86977%0.767SS**  trans-143.5125.4169.7-159.8104.6000111
812N32.1Very low32.7Very low146 Ų146135.7 Ų135.778%0.78176%0.762SS**  trans-171.6121.8158.5-101.3-43.1000108.6
813T30Very low33Very low111 Ų111135.2 Ų135.268%0.68176%0.76SS**  72.811484.6-52.70000111.2
814T32.6Very low33.1Very low132 Ų132134 Ų13481%0.8175%0.753SS**  -158159.681-56.70000113.1
815T31.2Very low33.1Very low111 Ų111133.4 Ų133.468%0.68175%0.752SS**  trans-86.1160.7-173.354.30000115.8
816N33.8Very low33.2Very low135 Ų135134.4 Ų134.472%0.72275%0.748SS**  171.3117.2121.9-86.2-2.3000110.6
817T34.4Very low33.3Very low114 Ų114130 Ų13070%0.69974%0.742SS**  64.6140.786.853.60000114.8
818T35.1Very low33.2Very low107 Ų107129.1 Ų129.166%0.65674%0.738SS**  cis-161161.316.1-9.20000113.1
819N34.9Very low33.4Very low142 Ų142128.3 Ų128.376%0.75975%0.748SS**  trans70152.1152-60.2-21.7000119
820T35.1Very low33.5Very low131 Ų131131.8 Ų131.880%0.80475%0.752SS**  cis-141.3153.39-27.20000113
821T33.6Very low33.5Very low113 Ų113131.3 Ų131.369%0.69375%0.745SS**  trans-81.6150.117948.90000115.3
822N36.5Very low33.7Very low142 Ų142129.2 Ų129.276%0.75974%0.741SS**  trans156.3152.3131.3-86.6-35.9000110.4
823N35.9Very low33.6Very low119 Ų119127.3 Ų127.364%0.63673%0.734SS**  cis177.3130-26.3-130.6-35.6000104.8
824N36.6Very low33.8Very low124 Ų124129.3 Ų129.366%0.66374%0.741SS**  trans58.7114.4146.9-61.7-11.2000123
825N33.6Very low33.6Very low135 Ų135130.7 Ų130.772%0.72274%0.738SS**  94.9140.9120.8-64.3-1.4000122.5
826N35.2Very low33.7Very low130 Ų130133.2 Ų133.270%0.69575%0.748SS**  trans82.1104.9149-67.60.2000121.5
827N34.5Very low33.9Very low131 Ų131133.1 Ų133.170%0.70175%0.747SS**  83131.1124.8-56.4-9.8000121
828N30Very low34.5Very low160 Ų160133 Ų13386%0.85675%0.749SS**  trans5792.6147-60.53.3000119.1
829A34.8Very low35Very low107 Ų107133.6 Ų133.688%0.88475%0.754SS**  trans-136.9153.7145.300000109.2
830Q33.5Very low34.9Very low187 Ų187133.3 Ų133.387%0.87476%0.76SS**  trans-103.6141.4-169-68.3165.1-105.200113.2
831V30.6Very low34.8Very low115 Ų115130.2 Ų130.270%0.69775%0.754SS**  trans4.2125.6140.5-173.80000115.8V833V831-V833 HydrophobicContact CG1-CG2 3.51Å
832P33Very low34.7Very low122 Ų122135.9 Ų135.979%0.79276%0.764SS**  -98.8157.7108.3-22.936.2000114.3
833V30.8Very low34.6Very low105 Ų105135.7 Ų135.764%0.63676%0.763SS**  trans-106.2136.2167.3-176.30000106.8V831 E835V831-V833 HydrophobicContact CG1-CG2 3.51Å; V833-E835 HydrophobicContact CG1-CG 3.96Å
834D33.5Very low34.4Very low154 Ų154136.7 Ų136.782%0.82476%0.764SS**  trans-110.7120.3162.2-80.1-53.3000108.7
835E28.4Very low34.2Very low161 Ų161135.8 Ų135.875%0.75277%0.774SS**  trans-101.878.5179.3-67.8-175.1121.500110.9V833 N837V833-E835 HydrophobicContact CG1-CG 3.96Å; E835-N837 PolarHBondContact O-N 3.03Å; E835-N837 PolarHBondContact O-ND2 3.14Å
836D34.7Very low34.3Very low164 Ų164136.9 Ų136.988%0.87778%0.778SS**  trans-74.694.4171.7-92.3-39.2000111
837N38.2Very low34.2Very low132 Ų132133.5 Ų133.571%0.70677%0.774SS**PPolyproline II helixtrans-79.2130.4174-76.1-92.8000110.7E835E835-N837 PolarHBondContact O-N 3.03Å; E835-N837 PolarHBondContact O-ND2 3.14Å
838P45.9Very low34Very low113 Ų113134.6 Ų134.673%0.73478%0.779SS**PPolyproline II helixtrans-66.7146169.328.9-33.9000111
839P45.2Very low34.3Very low118 Ų118134.5 Ų134.577%0.76678%0.777SS**PPolyproline II helixtrans-71.6144.6-175.828.7-35.1000112.8
840P34.4Very low34Very low136 Ų136137 Ų13788%0.88377%0.77SS**PPolyproline II helixtrans-88.1147.9-176.134-35.7000114.5
841G31.8Very low33.9Very low66 Ų66135.3 Ų135.368%0.6877%0.767SS**  trans114138.2175.300000112.2
842Y31.7Very low33.8Very low232 Ų232136 Ų13691%0.9177%0.767SS**  cis-138.5167.512.1-103.5-93.9000112.6
843D33.6Very low33.7Very low139 Ų139139.8 Ų139.874%0.74377%0.771SS**  trans-82.7153.7-161.4-64.4-61.6000118
844E32.3Very low33.8Very low140 Ų140143.8 Ų143.865%0.65479%0.785SS**  trans48.9109.8145.7-69.2179.7-168.200121.4K171K171-E844 IonicContact NZ-OE1 3.01Å; K171-E844 PolarHBondContact NZ-OE1 3.24Å; K171-E844 IonicContact NZ-OE2 2.59Å; K171-E844 PolarHBondContact NZ-OE2 3.35Å
845A32Very low33.7Very low104 Ų104143.7 Ų143.786%0.8679%0.785SS**  -168.841.4128.400000114.3
846I36.2Very low33.8Very low159 Ų159142.9 Ų142.982%0.81579%0.786SS**  trans-84.5118.7177.6-63.8-179.7000111L848I846-L848 PolarHBondContact O-N 2.74Å
847G32.5Very low33.8Very low59 Ų59142.4 Ų142.461%0.60879%0.788SS**  trans-73110.7168.900000111.5I849G847-I849 PolarHBondContact O-N 3.34Å
848L31.6Very low33.4Very low153 Ų153143 Ų14380%0.80179%0.791SS**  trans-66118.4178.1-71.5165.4000112.1I846I846-L848 PolarHBondContact O-N 2.74Å
849I34.9Very low32.7Very low158 Ų158146 Ų14681%0.8180%0.797SS**  trans-94115.8157-61.4-179.9000107.6G847 N851G847-I849 PolarHBondContact O-N 3.34Å; I849-N851 PolarHBondContact O-N 3.08Å
850Q28.8Very low32Very low159 Ų159144.5 Ų144.574%0.74380%0.795SS**  trans-91.291-170.5-176.4-178.4-1.600111.4
851N32.2Very low31.7Very low152 Ų152147.2 Ų147.281%0.81380%0.798SS**  trans-86118.1173.8-104.7-18.4000111.8I849 F853I849-N851 PolarHBondContact O-N 3.08Å; N851-F853 PolarHBondContact O-N 3.19Å
852N28.4Very low31.8Very low129 Ų129153.2 Ų153.269%0.6981%0.811SS**  trans-8291.2-173.2-73.3-57.5000112.9
853F29.9Very low31.7Very low203 Ų203150.3 Ų150.389%0.8981%0.808SS**  trans-144.786.7166.1-99.2-77.2000113.5N851N851-F853 PolarHBondContact O-N 3.19Å
854M32.8Very low31.7Very low188 Ų188151.7 Ų151.793%0.92682%0.815SS**  -175.8121.6126-101.2-172.9-168.500111.4
855N32Very low31.6Very low153 Ų153151 Ų15182%0.81882%0.821SS**  trans-92.6148.9161.9-88.9-54.2000109.7
856N30.8Very low31.7Very low144 Ų144155.3 Ų155.377%0.7783%0.826SS**  trans59.986.8165.3-64.4-41.5000118.4
857V34.8Very low31.4Very low153 Ų153154.4 Ų154.493%0.92783%0.827SS**  -130.7129117.9-175.60000107.8
858N30.4Very low31.4Very low144 Ų144161.1 Ų161.177%0.7784%0.839SS**  trans-126.1111.1-175.1-170.53000108.7
859M30.1Very low31.6Very low176 Ų176159.1 Ų159.187%0.86784%0.836SS**  trans-159.3138.3165.2-146.861.7-171.600114.4
860A31.4Very low31.3Very low87 Ų87156.4 Ų156.472%0.71984%0.837SS**  trans53.389.615700000119
861M26.8Very low31.8Very low193 Ų193155.2 Ų155.295%0.95184%0.84SS**  trans-62.2136.7142.3-70.4-178.2-76.400109.9
862M33.8Very low31.8Very low192 Ų192153.6 Ų153.695%0.94684%0.838SS**  trans-144.3147.5145.9-128.4178.9-172.900111
863M30.5Very low31.9Very low172 Ų172154.8 Ų154.885%0.84784%0.843SS**  trans-81.6148.9-166.9-55.9171.6-174.800111.9
864N34.1Very low32.2Very low168 Ų168149.9 Ų149.990%0.89883%0.832SS**  -156.4108.5129.6-103.7-38.3000111.9
865T29.3Very low32Very low125 Ų125148.7 Ų148.777%0.76783%0.829SS**  trans-81.6132.6171.949.80000110.8
866M34.4Very low32.1Very low195 Ų195147.5 Ų147.596%0.96183%0.827SS**  trans-142.1122.7149.5-104.6-170-74.800110.8
867V30.6Very low32.1Very low139 Ų139146.8 Ų146.884%0.84283%0.828SS**  trans-89.3141.9-178.51750000109.8
868K32.5Very low31.7Very low200 Ų200145.6 Ų145.687%0.8783%0.825SS**  trans-127.1135161.9-159165.5-176178.30108.8
869P35Very low32Very low111 Ų111144.7 Ų144.772%0.72183%0.825SS**  trans-81.9155.4-156.931.2-37000114.4
870A29.1Very low32.4Very low102 Ų102141.9 Ų141.984%0.84382%0.82SS**  trans-69.8149.717200000112.3
871V38.4Very low33.3Very low134 Ų134143.3 Ų143.381%0.81282%0.822SS**  trans-107.8144.8173.8177.20000108.7
872P33.5Very low33.9Very low118 Ų118140.1 Ų140.177%0.76682%0.816SS**PPolyproline II helixtrans-72.5149.7-166.3-19.533.7000115.2
873I30.3Very low34Very low153 Ų153135.8 Ų135.879%0.78581%0.81SS**PPolyproline II helixtrans-75.3128.2170-58.7167.6000109.3
874P35.2Very low34.4Very low101 Ų101135.4 Ų135.466%0.65681%0.811SS**PPolyproline II helixtrans-77.9126.8167.1-9.626.9000110.6T876P874-T876 PolarHBondContact O-N 3.32Å
875N29.2Very low34.6Very low162 Ų162132.5 Ų132.587%0.86680%0.801SS**  trans-71.5113.7166.9-79.2-13.5000109.6
876T33.5Very low34.9Very low128 Ų128132.5 Ų132.579%0.78580%0.804SS**  trans-125.5104.8169.153.70000112P874P874-T876 PolarHBondContact O-N 3.32Å
877T30.4Very low35Very low130 Ų130135 Ų13580%0.79880%0.802SS**  trans-41.7143.5173.5-49.70000113.7T879T877-T879 PolarHBondContact O-N 3.34Å
878C28.1Very low35.3Very low127 Ų127139 Ų13986%0.85880%0.802SS**  trans-58.5126.4172.4-64.70000111.6
879T35.9Very low35.3Very low126 Ų126137.5 Ų137.577%0.77380%0.802SS**  trans-114.9133.9164.444.40000109.3T877T877-T879 PolarHBondContact O-N 3.34Å
880P39.1Very low35.5Very low116 Ų116137.9 Ų137.975%0.75380%0.797SS**PPolyproline II helixtrans-71.5153.3177.130.3-34.7000111.1
881P48.8Very low35.8Very low118 Ų118140.4 Ų140.477%0.76680%0.796SS**PPolyproline II helixtrans-62.5148.2174.926.9-34.4000111.2
882P39.1Very low35.4Very low126 Ų126137.8 Ų137.882%0.81880%0.796SS**PPolyproline II helixtrans-69.3135.3-173.127.9-35000112.3L884P882-L884 PolarHBondContact O-N 3.36Å
883A36Very low35.6Very low101 Ų101139 Ų13984%0.83580%0.801SS**PPolyproline II helixtrans-66.6130.7178.100000111.9
884L39.9Very low35.6Very low163 Ų163134.6 Ų134.685%0.85379%0.794SS**PPolyproline II helixtrans-69.7144.1172.9-73.7167.5000111P882P882-L884 PolarHBondContact O-N 3.36Å
885P38.2Very low35.7Very low108 Ų108137.8 Ų137.870%0.70181%0.805SS**PPolyproline II helixtrans-71.7143.5-177.229.2-35.1000111.9R887P885-R887 PolarHBondContact O-N 2.84Å
886P35Very low35.9Very low125 Ų125137.3 Ų137.381%0.81280%0.797SS**PPolyproline II helixtrans-68.7121.4-179.727.8-34.1000111R888P886-R888 PolarHBondContact O-N 2.81Å
887R37.3Very low35.9Very low246 Ų246138.4 Ų138.493%0.92880%0.798SS**PPolyproline II helixtrans-65.1119.9168.3-80.3-168173.1-150.10.3109.2P885 I889P885-R887 PolarHBondContact O-N 2.84Å; R887-I889 PolarHBondContact O-N 2.71Å
888R37Very low36.3Very low223 Ų223140.2 Ų140.284%0.84280%0.801SS**PPolyproline II helixtrans-59.5128.8171-79.9-174.2169.6-165.3-2.9110.2P886 I890P886-R888 PolarHBondContact O-N 2.81Å; R888-I890 HydrophobicContact CB-CG1 4.28Å
889I31.9Very low36.5Very low169 Ų169143.4 Ų143.487%0.86780%0.803SS**PPolyproline II helixtrans-74.8128.8156.2-55.2171.9000106.9R887R887-I889 PolarHBondContact O-N 2.71Å
890I39.4Very low36.3Very low119 Ų119144.6 Ų144.661%0.6181%0.805SS**  trans-132.8115.6166.8-62.4-177.1000107.7R888R888-I890 HydrophobicContact CB-CG1 4.28Å
891N35.7Very low35.9Very low155 Ų155144.6 Ų144.683%0.82981%0.805SS**  trans23.7107.3159.7-56.72.4000117.1
892G30.6Very low35.1Very low80 Ų80147.6 Ų147.683%0.82581%0.809SS**  trans-75.3158.6-17800000115.3
893V37.1Very low34.7Very low142 Ų142146.6 Ų146.686%0.86181%0.805SS**  trans-127.2135.1152178.50000105
894G29.9Very low34.3Very low62 Ų62150.9 Ų150.964%0.63981%0.81SS**  trans-75.7146.9176.300000111.6
895L36.7Very low33.9Very low168 Ų168149.2 Ų149.288%0.8881%0.807SS**  trans-140.1117.9152-103.6110.3000107.5
896E34.7Very low33.8Very low152 Ų152149 Ų14971%0.7181%0.808SS**  trans-75.5163.6170.643.2-90.786.900112.9
897D32.3Very low33.6Very low151 Ų151149.2 Ų149.281%0.80781%0.811SS**  trans5289.1157.3-54.2-15.5000119.4
898I39.5Very low33.9Very low167 Ų167143.3 Ų143.386%0.85680%0.796SS**  trans-132.2108.7143.6-57.7-178.7000108.6
899E31.6Very low34.1Very low194 Ų194135.1 Ų135.191%0.90777%0.774SS**  trans-84.9129.4167.4-61.1180115.700110
900D32.3Very low35Very low151 Ų151133.2 Ų133.281%0.80776%0.764SS**  trans-155.2125.6159.8-150.70.5000109.6
901P31.4Very low35.5Very low117 Ų117127.9 Ų127.976%0.7674%0.738SS**  trans-98.3107.5-163.734.8-32.3000114
902Q32.1Very low36.3Very low181 Ų181126.5 Ų126.585%0.84673%0.727SS**  trans-131111163.2-68.8-162.1-0.100113.3
903S29.3Very low37.2Very low105 Ų105130.8 Ų130.873%0.73472%0.718SS**  trans17.6100.8158.5580000118T905S903-T905 PolarHBondContact O-N 2.79Å
904M29Very low38.1Very low191 Ų191131.3 Ų131.394%0.94171%0.705SS**  trans-68.199.3161.5-70.7-173.4179.700110.5S906M904-S906 PolarHBondContact O-N 3.26Å; M904-S906 VanDerWaalsContact O-N 3.09Å
905T30.5Very low39Very low128 Ų128131 Ų13179%0.78570%0.702SS**  trans-70.596.1158.548.70000108.4S903S903-T905 PolarHBondContact O-N 2.79Å
906S35.9Very low39.7Very low102 Ų102127.6 Ų127.671%0.71369%0.685SS**  trans-63.8134.3173.743.90000110.6M904 I908M904-S906 PolarHBondContact O-N 3.26Å; M904-S906 VanDerWaalsContact O-N 3.09Å; S906-I908 PolarHBondContact O-N 2.92Å; S906-I908 VanDerWaalsContact O-N 3.08Å
907C31.9Very low40.2Very low130 Ų130123.7 Ų123.788%0.87867%0.673SS**  trans-74.199.9176.3-650000109.7S909C907-S909 PolarHBondContact O-N 2.68Å
908I43.2Very low41Very low122 Ų122121.8 Ų121.863%0.62667%0.666SS**  trans-51.3128.9172.1-62.1174.8000109.5S906 E912S906-I908 PolarHBondContact O-N 2.92Å; S906-I908 VanDerWaalsContact O-N 3.08Å; I908-E912 HydrophobicContact CG2-CB 3.65Å
909S42.2Very low41.1Very low52 Ų52117.9 Ų117.936%0.36466%0.659SS.*  trans-63150.5-180179.90000111.6C907 A911 E912 R913C907-S909 PolarHBondContact O-N 2.68Å; S909-A911 PolarHBondContact O-N 3Å; S909-A911 PolarHBondContact OG-N 3.06Å; S909-E912 VanDerWaalsContact CB-OE2 3.25Å; S909-E912 WeakPolarHBondContact CB-OE2 3.42Å; S909-E912 PolarHBondContact N-OE2 3.05Å; S909-E912 PolarHBondContact O-N 3.29Å; S909-E912 VanDerWaalsContact O-N 3.14Å; S909-R913 PolarHBondContact O-N 2.59Å
910L49.8Very low41.4Very low129 Ų129117.8 Ų117.868%0.67566%0.658SS**Hα-helixtrans-60.3-31.1174-156.775.4000111.4Y914L910-Y914 HydrophobicContact CD1-CD2 4.49Å; L910-Y914 HydrophobicContact CD1-CE2 3.97Å; L910-Y914 HydrophobicContact CG-CD2 4.14Å; L910-Y914 HydrophobicContact CG-CE2 4.05Å; L910-Y914 VanDerWaalsContact O-CD2 3.29Å; L910-Y914 WeakPolarHBondContact O-CD2 3.35Å; L910-Y914 PolarHBondContact O-N 3.01Å
911A49.9Very low41.8Very low7 Ų7120.3 Ų120.36%0.05867%0.67CS.*Hα-helixtrans-67.7-42.2175.500000112.3S909 Y914 G915 L916 V918S909-A911 PolarHBondContact O-N 3Å; S909-A911 PolarHBondContact OG-N 3.06Å; A911-Y914 PolarHBondContact O-N 3.29Å; A911-G915 PolarHBondContact O-N 3.25Å; A911-L916 HydrophobicContact CB-CB 4.38Å; A911-L916 PolarHBondContact O-N 3.02Å; A911-V918 HydrophobicContact CB-CG2 4.12Å
912E53.3Low42.3Very low126 Ų126120.5 Ų120.559%0.58967%0.665SS**Hα-helixtrans-65.7-39.4176.6-67171.9121.700111.5I908 S909 Y914 G915I908-E912 HydrophobicContact CG2-CB 3.65Å; S909-E912 VanDerWaalsContact CB-OE2 3.25Å; S909-E912 WeakPolarHBondContact CB-OE2 3.42Å; S909-E912 PolarHBondContact N-OE2 3.05Å; S909-E912 PolarHBondContact O-N 3.29Å; S909-E912 VanDerWaalsContact O-N 3.14Å; E912-Y914 PolarHBondContact O-N 3.37Å; E912-G915 PolarHBondContact O-N 3.23Å
913R48.5Very low42.9Very low169 Ų169117.3 Ų117.364%0.63866%0.656SS**Hα-helixtrans-63.4-26.5177.1178.4174.8-84.1-123-0.3113.6S909S909-R913 PolarHBondContact O-N 2.59Å
914Y57.4Low43.6Very low153 Ų153118 Ų11860%0.665%0.651SS**Hα-helixtrans-114.94-178.9-66.2-63.7000114.5L910 A911 E912 L916L910-Y914 HydrophobicContact CD1-CD2 4.49Å; L910-Y914 HydrophobicContact CD1-CE2 3.97Å; L910-Y914 HydrophobicContact CG-CD2 4.14Å; L910-Y914 HydrophobicContact CG-CE2 4.05Å; L910-Y914 VanDerWaalsContact O-CD2 3.29Å; L910-Y914 WeakPolarHBondContact O-CD2 3.35Å; L910-Y914 PolarHBondContact O-N 3.01Å; A911-Y914 PolarHBondContact O-N 3.29Å; E912-Y914 PolarHBondContact O-N 3.37Å; Y914-L916 VanDerWaalsContact C-N 3.31Å; Y914-L916 PolarHBondContact O-N 3.48Å
915G47.3Very low44.5Very low56 Ų56113.7 Ų113.758%0.57763%0.634SS**THydrogen-bonded Turntrans64.831179.700000114.3A911 E912A911-G915 PolarHBondContact O-N 3.25Å; E912-G915 PolarHBondContact O-N 3.23Å
916L52Low45.4Very low96 Ų96112.8 Ų112.850%0.50363%0.625SS.*  trans-87141.5179.4-73.3165.1000111.3A911 Y914 V918A911-L916 HydrophobicContact CB-CB 4.38Å; A911-L916 PolarHBondContact O-N 3.02Å; Y914-L916 VanDerWaalsContact C-N 3.31Å; Y914-L916 PolarHBondContact O-N 3.48Å; L916-V918 PolarHBondContact O-N 3.32Å
917P46Very low46Very low71 Ų71113.5 Ų113.546%0.46162%0.619SS.*  trans-68.4131.2177.729.4-34.8000111.2M159 A919M159-P917 HydrophobicContact CE-CB 3.61Å; P917-A919 PolarHBondContact O-N 3.33Å
918V47.3Very low47Very low111 Ų111112.4 Ų112.467%0.67360%0.601SS**THydrogen-bonded Turntrans-80.933.9-173-164.20000112.2A911 L916A911-V918 HydrophobicContact CB-CG2 4.12Å; L916-V918 PolarHBondContact O-N 3.32Å
919A41.7Very low47.3Very low85 Ų85111.6 Ų111.670%0.70260%0.599SS**THydrogen-bonded Turntrans-106.5-5.3-169.200000115.1P917P917-A919 PolarHBondContact O-N 3.33Å
920E38.3Very low47.8Very low192 Ų192116.6 Ų116.690%0.89762%0.618SS**  trans-136.647.5-176.9-66.5-168.6126.300112.8
921I41.7Very low47.6Very low204 Ų204115.5 Ų115.5100%1.04661%0.613SS**  trans-124.90172.9-53.2-179.2000109.9

Retrieved 921 of 921 residues in 587.5 ms (Link to these results)

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