A0A077ZEI0_TRITR Loading...

Ribosome biogenesis protein WDR12 homolog

AlphaFold DB , UniProt , Accession A0A077ZEI0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 197 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
1M33.1Very low33.3Very low233 Ų233143.5 Ų143.5100%1.14873%0.729SS**  093.30-165.3166.4-171.600106.8
2A29.6Very low33.4Very low103 Ų103139.3 Ų139.385%0.85172%0.715SS**  trans-84.3112.1178.500000107.9
3M31.2Very low33.4Very low174 Ų174137.4 Ų137.486%0.85770%0.699SS**  trans-89.7119.5165.4-78.8-164.4-87.100107.6
4L30.5Very low33.4Very low159 Ų159137.3 Ų137.383%0.83270%0.701SS**  trans-83.2115.3171.8-74.5161.8000108.1
5F31.2Very low33.6Very low187 Ų187133.8 Ų133.882%0.8268%0.684SS**  trans-120.1141160.3-127.9-96.6000107.1Q7F5-Q7 PolarHBondContact O-N 3.48Å
6E33.2Very low33.5Very low182 Ų182136.1 Ų136.185%0.8569%0.693SS**THydrogen-bonded Turntrans-43.6134-170.9-76.3-168.6122.600114.3S8E6-S8 PolarHBondContact O-N 3.41Å
7Q37.9Very low33.7Very low194 Ų194138.1 Ų138.191%0.90770%0.697SS**THydrogen-bonded Turntrans68.311.3169.5-57.6-166.32.600119.9F5F5-Q7 PolarHBondContact O-N 3.48Å
8S36.2Very low33.6Very low44 Ų44133.7 Ų133.731%0.30869%0.692SS.*  trans-148.1119.4172.3-68.40000112.3E6E6-S8 PolarHBondContact O-N 3.41Å
9V36.9Very low33.4Very low71 Ų71134.2 Ų134.243%0.4370%0.701SS.*  trans-93.2113.7172.2-173.60000108.1F11V9-F11 HydrophobicContact CB-CE2 4.22Å; V9-F11 HydrophobicContact CG1-CD2 3.92Å; V9-F11 HydrophobicContact CG1-CE1 4.4Å; V9-F11 HydrophobicContact CG1-CE2 3.32Å; V9-F11 HydrophobicContact CG1-CZ 3.6Å
10F33.4Very low33.5Very low118 Ų118132.6 Ų132.652%0.51870%0.702SS.*EExtended strand (participates in β ladder)trans-94.3124.8172.9-64.1-87.8000109.2Q32F10-Q32 HydrophobicContact CD1-CG 4.49Å; F10-Q32 HydrophobicContact CE1-CB 4.41Å; F10-Q32 HydrophobicContact CE1-CG 3.8Å; F10-Q32 HydrophobicContact CZ-CG 4.42Å
11F33.6Very low34Very low113 Ų113131.4 Ų131.450%0.49671%0.705SS.*EExtended strand (participates in β ladder)trans-106.2116.5167.2-68-84.1000108.5V9 F13V9-F11 HydrophobicContact CB-CE2 4.22Å; V9-F11 HydrophobicContact CG1-CD2 3.92Å; V9-F11 HydrophobicContact CG1-CE1 4.4Å; V9-F11 HydrophobicContact CG1-CE2 3.32Å; V9-F11 HydrophobicContact CG1-CZ 3.6Å; F11-F13 HydrophobicContact CB-CD2 4.05Å; F11-F13 HydrophobicContact CB-CE2 3.62Å; F11-F13 HydrophobicContact CB-CZ 4.47Å; F11-F13 HydrophobicContact CD1-CE2 4.34Å; F11-F13 HydrophobicContact CD1-CZ 4.44Å; F11-F13 HydrophobicContact CG-CE2 4.23Å
12V34.2Very low34.3Very low93 Ų93125.9 Ų125.956%0.56468%0.68SS**EExtended strand (participates in β ladder)trans-99.6109172.1-178.80000107L28V12-L28 HydrophobicContact CG1-CD1 4.49Å
13F33.7Very low34.8Very low115 Ų115124.7 Ų124.750%0.50468%0.678SS.*EExtended strand (participates in β ladder)trans-104119.2170.9-71-80.2000109F11 L15 F31F11-F13 HydrophobicContact CB-CD2 4.05Å; F11-F13 HydrophobicContact CB-CE2 3.62Å; F11-F13 HydrophobicContact CB-CZ 4.47Å; F11-F13 HydrophobicContact CD1-CE2 4.34Å; F11-F13 HydrophobicContact CD1-CZ 4.44Å; F11-F13 HydrophobicContact CG-CE2 4.23Å; F13-L15 PolarHBondContact O-N 3.2Å; F13-F31 HydrophobicContact CD2-CD2 4.06Å; F13-F31 AromaticContact CD2-CE2 3.94Å; F13-F31 HydrophobicContact CD2-CE2 3.94Å
14N32.8Very low35.1Very low136 Ų136124.2 Ų124.273%0.72768%0.678SS**  trans-77.795.6163.4-90.4-57.3000107.6M16N14-M16 VanDerWaalsContact C-N 3.3Å; N14-M16 PolarHBondContact O-N 3.28Å; N14-M16 VanDerWaalsContact O-N 3.08Å
15L36.8Very low35.7Very low85 Ų85120 Ų12045%0.44566%0.661SS.*  trans-77.587.5167.3-93.7150.7000108.3F13 F17 V29F13-L15 PolarHBondContact O-N 3.2Å; L15-F17 HydrophobicContact CB-CD2 4.36Å; L15-F17 HydrophobicContact CB-CE2 4.07Å; L15-F17 HydrophobicContact CD2-CE1 4.45Å; L15-F17 HydrophobicContact CD2-CE2 3.81Å; L15-F17 HydrophobicContact CD2-CZ 3.78Å; L15-F17 HydrophobicContact CG-CE2 4.4Å; L15-F17 PolarHBondContact O-N 3.08Å; L15-V29 HydrophobicContact CD1-CG2 4.33Å
16M32.5Very low36Very low170 Ų170113.1 Ų113.184%0.83764%0.643SS**  trans-81.693.5168.8-163-172.9-79.600107.6N14 G18N14-M16 VanDerWaalsContact C-N 3.3Å; N14-M16 PolarHBondContact O-N 3.28Å; N14-M16 VanDerWaalsContact O-N 3.08Å; M16-G18 PolarHBondContact O-N 3.19Å
17F35.4Very low36.2Very low171 Ų171110.3 Ų110.375%0.7563%0.626SS**  trans-75.3101.6167.8-73.9-80000108.6L15L15-F17 HydrophobicContact CB-CD2 4.36Å; L15-F17 HydrophobicContact CB-CE2 4.07Å; L15-F17 HydrophobicContact CD2-CE1 4.45Å; L15-F17 HydrophobicContact CD2-CE2 3.81Å; L15-F17 HydrophobicContact CD2-CZ 3.78Å; L15-F17 HydrophobicContact CG-CE2 4.4Å; L15-F17 PolarHBondContact O-N 3.08Å
18G31.8Very low35.9Very low59 Ų59104.5 Ų104.561%0.60860%0.6SS**  trans-88.2148.8157.400000108.9M16M16-G18 PolarHBondContact O-N 3.19Å
19T31.6Very low35.8Very low142 Ų142103.1 Ų103.187%0.87159%0.59SS**  cis-160.9133.92.645.50000106.2
20S35.5Very low35.6Very low102 Ų102101.8 Ų101.871%0.71358%0.582SS**SBendtrans-157100.9147.7-170.40000108.7D22S20-D22 VanDerWaalsContact C-N 3.26Å; S20-D22 PolarHBondContact O-N 3.35Å
21S42.9Very low35.7Very low109 Ų10999.4 Ų99.476%0.76257%0.572SS**SBendtrans45.7-18159.951.80000123.4
22D39Very low35.7Very low117 Ų11796.7 Ų96.763%0.62656%0.561SS**SBendtrans-131.7114.9-170.8-58.1-45.1000111.1S20S20-D22 VanDerWaalsContact C-N 3.26Å; S20-D22 PolarHBondContact O-N 3.35Å
23G39.7Very low35.5Very low78 Ų7895.3 Ų95.380%0.80455%0.549SS*.  trans46.9103159.600000119.1S25G23-S25 PolarHBondContact O-N 3.43Å
24L38.4Very low36Very low164 Ų16493.9 Ų93.986%0.85955%0.546SS*.  trans-64.196.7172.1-73.7161.3000112.3
25S43.3Very low36.4Very low69 Ų6991.6 Ų91.648%0.48354%0.537SS..  trans-88.4103.8156-179.20000108.3G23G23-S25 PolarHBondContact O-N 3.43Å
26G36.6Very low36.5Very low43 Ų4395 Ų9544%0.44356%0.556SS.*  trans-88130.3175.100000110.5
27Y37.6Very low36.7Very low123 Ų12395.5 Ų95.548%0.48255%0.553SS.*EExtended strand (participates in β ladder)trans-98.7132.7171.3-66.2-84.9000110
28L31.1Very low36.6Very low72 Ų7292.3 Ų92.338%0.37754%0.54SS..EExtended strand (participates in β ladder)trans-86.4114.9167.1-167.583.4000107.7V12 V30 V44V12-L28 HydrophobicContact CG1-CD1 4.49Å; L28-V30 HydrophobicContact CD2-CG2 3.73Å; L28-V30 HydrophobicContact CG-CG2 4.13Å; L28-V44 PolarHBondContact N-O 3.13Å; L28-V44 PolarHBondContact O-N 3.22Å
29V34.9Very low36.5Very low16 Ų1694.8 Ų94.810%0.09753%0.532CS..EExtended strand (participates in β ladder)trans-95.6114.7171.7-171.10000108.1L15 F31 V41 L43L15-V29 HydrophobicContact CD1-CG2 4.33Å; V29-F31 HydrophobicContact CB-CE2 4.25Å; V29-F31 HydrophobicContact CG1-CD2 4.09Å; V29-F31 HydrophobicContact CG1-CE1 4.3Å; V29-F31 HydrophobicContact CG1-CE2 3.51Å; V29-F31 HydrophobicContact CG1-CZ 3.63Å; V29-V41 HydrophobicContact CG1-CG1 3.98Å; V29-L43 HydrophobicContact CG2-CD2 3.81Å
30V33.5Very low36.6Very low43 Ų4392.2 Ų92.226%0.26151%0.51SS..EExtended strand (participates in β ladder)trans-104.1115.5174.3-176.60000108.4L28 N42L28-V30 HydrophobicContact CD2-CG2 3.73Å; L28-V30 HydrophobicContact CG-CG2 4.13Å; V30-N42 PolarHBondContact N-O 3.38Å; V30-N42 PolarHBondContact O-N 2.73Å
31F34.1Very low36.4Very low68 Ų6888.3 Ų88.330%0.29848%0.482SS..EExtended strand (participates in β ladder)trans-91121.5170.2-64.1-85.8000109.3F13 V29 V41F13-F31 HydrophobicContact CD2-CD2 4.06Å; F13-F31 AromaticContact CD2-CE2 3.94Å; F13-F31 HydrophobicContact CD2-CE2 3.94Å; V29-F31 HydrophobicContact CB-CE2 4.25Å; V29-F31 HydrophobicContact CG1-CD2 4.09Å; V29-F31 HydrophobicContact CG1-CE1 4.3Å; V29-F31 HydrophobicContact CG1-CE2 3.51Å; V29-F31 HydrophobicContact CG1-CZ 3.63Å; F31-V41 HydrophobicContact CD1-CG2 3.98Å; F31-V41 HydrophobicContact CE1-CG2 3.99Å
32Q34.8Very low35.9Very low56 Ų5686.7 Ų86.726%0.26247%0.465SS..EExtended strand (participates in β ladder)trans-111.3113169.2-166.5175.2-18.600109.4F10 L34 Q40F10-Q32 HydrophobicContact CD1-CG 4.49Å; F10-Q32 HydrophobicContact CE1-CB 4.41Å; F10-Q32 HydrophobicContact CE1-CG 3.8Å; F10-Q32 HydrophobicContact CZ-CG 4.42Å; Q32-L34 HydrophobicContact CG-CG 4.12Å; Q32-L34 PolarHBondContact O-N 3.39Å; Q32-Q40 PolarHBondContact N-O 2.96Å; Q32-Q40 VanDerWaalsContact N-O 3.13Å; Q32-Q40 PolarHBondContact O-N 2.79Å
33M29.4Very low35.6Very low63 Ų6384.3 Ų84.331%0.3145%0.452SS..EExtended strand (participates in β ladder)trans-75.3111167.2-103.3-88.1-85.600108.3Y39M33-Y39 HydrophobicContact CG-CD1 3.96Å; M33-Y39 HydrophobicContact CG-CE1 3.62Å; M33-Y39 HydrophobicContact SD-CD1 4.08Å; M33-Y39 HydrophobicContact SD-CE1 3.42Å; M33-Y39 WeakPolarHBondContact SD-CE1 3.46Å
34L43.6Very low35.5Very low85 Ų8584.6 Ų84.645%0.44544%0.438SS..EExtended strand (participates in β ladder)trans-101-27.6-177.9-83.7154.8000113.1Q32 H38 Q40Q32-L34 HydrophobicContact CG-CG 4.12Å; Q32-L34 PolarHBondContact O-N 3.39Å; L34-H38 PolarHBondContact N-O 3.18Å; L34-Q40 HydrophobicContact CD1-CB 3.93Å; L34-Q40 HydrophobicContact CD1-CG 3.87Å
35T40.9Very low35.2Very low88 Ų8880.5 Ų80.554%0.5442%0.423SS..EExtended strand (participates in β ladder)trans-170.5169.8173.245.20000110.1K37 H38T35-K37 PolarHBondContact O-N 3.49Å; T35-H38 PolarHBondContact O-N 3.34Å
36D39.5Very low34.9Very low158 Ų15880.1 Ų80.185%0.84542%0.424SS*.THydrogen-bonded Turntrans-51.9-6.9-177.7-100.2-9.4000117
37K38Very low34.7Very low180 Ų18085.2 Ų85.278%0.78344%0.441SS*.THydrogen-bonded Turntrans-143.716.2-179.4-62.6-170.2179.7-175.70114.9T35T35-K37 PolarHBondContact O-N 3.49Å
38H31.8Very low34.6Very low104 Ų10490.6 Ų90.648%0.48146%0.46SS..EExtended strand (participates in β ladder)trans-144.4121.5179.3-80.5-73.3000112.6L34 T35L34-H38 PolarHBondContact N-O 3.18Å; T35-H38 PolarHBondContact O-N 3.34Å
39Y31.1Very low34.7Very low111 Ų11192.6 Ų92.644%0.43548%0.48SS..EExtended strand (participates in β ladder)trans-103.7136.7168.6-58-87.6000110.1M33 D72M33-Y39 HydrophobicContact CG-CD1 3.96Å; M33-Y39 HydrophobicContact CG-CE1 3.62Å; M33-Y39 HydrophobicContact SD-CD1 4.08Å; M33-Y39 HydrophobicContact SD-CE1 3.42Å; M33-Y39 WeakPolarHBondContact SD-CE1 3.46Å; Y39-D72 WeakPolarHBondContact CD2-OD2 3.42Å
40Q32.3Very low34.5Very low88 Ų8895 Ų9541%0.41151%0.508SS..EExtended strand (participates in β ladder)trans-104.1131.5159.4-93.1-164-2800109Q32 L34Q32-Q40 PolarHBondContact N-O 2.96Å; Q32-Q40 VanDerWaalsContact N-O 3.13Å; Q32-Q40 PolarHBondContact O-N 2.79Å; L34-Q40 HydrophobicContact CD1-CB 3.93Å; L34-Q40 HydrophobicContact CD1-CG 3.87Å
41V31.8Very low34.6Very low20 Ų20100.4 Ų100.412%0.12154%0.535CS..EExtended strand (participates in β ladder)trans-114.5114.6172.1-176.90000106.9V29 F31V29-V41 HydrophobicContact CG1-CG1 3.98Å; F31-V41 HydrophobicContact CD1-CG2 3.98Å; F31-V41 HydrophobicContact CE1-CG2 3.99Å
42N33Very low34.5Very low74 Ų74103.2 Ų103.240%0.39655%0.553SS.*EExtended strand (participates in β ladder)trans-107.9122.6173.2-69.2-37.8000108.4V30V30-N42 PolarHBondContact N-O 3.38Å; V30-N42 PolarHBondContact O-N 2.73Å
43L32.6Very low34.4Very low68 Ų68107.8 Ų107.836%0.35658%0.58SS.*EExtended strand (participates in β ladder)trans-91.2125.8169.3-77.8173.6000109V29 L63V29-L43 HydrophobicContact CG2-CD2 3.81Å; L43-L63 HydrophobicContact CD1-CB 4.13Å; L43-L63 HydrophobicContact CD1-CD1 3.93Å; L43-L63 HydrophobicContact CD1-CD2 3.61Å; L43-L63 HydrophobicContact CD1-CG 4.09Å; L43-L63 HydrophobicContact CG-CD2 4.09Å
44V36.6Very low34.3Very low84 Ų84116.4 Ų116.451%0.50961%0.608SS.*EExtended strand (participates in β ladder)trans-111.6116.6169.7-1770000107.8L28 A46L28-V44 PolarHBondContact N-O 3.13Å; L28-V44 PolarHBondContact O-N 3.22Å; V44-A46 PolarHBondContact O-N 3.45Å
45S33.4Very low33.9Very low78 Ų78118 Ų11855%0.54562%0.617SS.*EExtended strand (participates in β ladder)trans-70.9123.3173.4-179.50000109.9
46A35.5Very low33.3Very low61 Ų61121.9 Ų121.950%0.50463%0.634SS.*  trans-97.694.1172.300000109.4V44 R48V44-A46 PolarHBondContact O-N 3.45Å; A46-R48 PolarHBondContact O-N 3.42Å
47N32.2Very low32.9Very low149 Ų149119.6 Ų119.680%0.79763%0.629SS**  trans-76.5114.8177-159.1-6.8000110.1
48R37.4Very low32.5Very low236 Ų236116.8 Ų116.889%0.89163%0.632SS**  trans-119.299161.6-96.2-167.9177-167.80.3110A46A46-R48 PolarHBondContact O-N 3.42Å
49S31.8Very low32.7Very low114 Ų114114.4 Ų114.480%0.79764%0.635SS**  trans-9.9125.2148.456.10000116.3
50G30.7Very low33Very low67 Ų67111.8 Ų111.869%0.69164%0.637SS**  trans138.4115.8152.300000114.8
51L35Very low33.4Very low157 Ų157112.1 Ų112.182%0.82265%0.649SS**  trans81112.5156.8-8973.1000119.2
52D33.6Very low34Very low127 Ų127111.5 Ų111.568%0.67965%0.646SS**  trans83.688.1130.2-58.4-15.2000120.1
53N32Very low34.7Very low152 Ų152109.1 Ų109.181%0.81363%0.633SS**  37.991.1120.5-67.6-22.4000117.1
54R27.7Very low35.7Very low243 Ų243105.9 Ų105.992%0.91762%0.616SS**  178.55.3128.3-103.7171.3154.5178.6-7.1119
55I35.8Very low36.4Very low120 Ų120102.2 Ų102.262%0.61559%0.593SS**  trans-113.6106.4177.7-49.2-179.7000109.5C57I55-C57 WeakPolarHBondContact CG2-SG 3.3Å; I55-C57 PolarHBondContact O-N 2.95Å
56N27.2Very low37.1Very low168 Ų16898.5 Ų98.590%0.89857%0.567SS**  trans-67.182.2169.3-78.4-14.3000109.3
57C30.8Very low38.1Very low111 Ų11199.5 Ų99.575%0.7556%0.558SS**  trans-97.880.8163.7-67.90000108.3I55I55-C57 WeakPolarHBondContact CG2-SG 3.3Å; I55-C57 PolarHBondContact O-N 2.95Å
58S29.9Very low39Very low121 Ų12195.7 Ų95.785%0.84654%0.54SS*.  trans-95.791.9162.665.40000107.8
59G35.6Very low40Very low53 Ų5387 Ų8755%0.54651%0.511SS..  trans178.6105.7176.100000109.7S61G59-S61 PolarHBondContact O-N 2.9Å
60A38.4Very low41.6Very low56 Ų5682.2 Ų82.246%0.46348%0.476SS..PPolyproline II helixtrans-54.9132.716900000108.3E79A60-E79 WeakPolarHBondContact CB-OE1 3.49Å; A60-E79 VanDerWaalsContact O-CD 3.23Å; A60-E79 VanDerWaalsContact O-CG 3.29Å; A60-E79 WeakPolarHBondContact O-CG 3.4Å
61S40Very low43.3Very low96 Ų9682.6 Ų82.667%0.67147%0.466SS*.EExtended strand (participates in β ladder)trans-103.3117.8-179-63.80000107.3G59G59-S61 PolarHBondContact O-N 2.9Å
62A45.9Very low44.8Very low6 Ų678.5 Ų78.55%0.0545%0.445CS..EExtended strand (participates in β ladder)trans-88.1134.1177.200000110L77 I135A62-L77 PolarHBondContact N-O 3.19Å; A62-L77 PolarHBondContact O-N 2.85Å; A62-L77 VanDerWaalsContact O-N 3.15Å; A62-I135 HydrophobicContact CB-CD1 4.21Å
63L46.6Very low46.5Very low24 Ų2474 Ų7413%0.12642%0.422CS..EExtended strand (participates in β ladder)trans-85.3129.9169.9-172.176.3000109.2L43 V134 I135L43-L63 HydrophobicContact CD1-CB 4.13Å; L43-L63 HydrophobicContact CD1-CD1 3.93Å; L43-L63 HydrophobicContact CD1-CD2 3.61Å; L43-L63 HydrophobicContact CD1-CG 4.09Å; L43-L63 HydrophobicContact CG-CD2 4.09Å; L63-V134 HydrophobicContact CB-CG1 4.12Å; L63-V134 HydrophobicContact CB-CG2 4.19Å; L63-V134 HydrophobicContact CD2-CB 4.37Å; L63-V134 HydrophobicContact CD2-CG1 3.72Å; L63-V134 HydrophobicContact CD2-CG2 3.74Å; L63-V134 HydrophobicContact CG-CG1 4.04Å; L63-V134 HydrophobicContact CG-CG2 4.49Å; L63-I135 PolarHBondContact O-N 3.5Å
64V53.4Low48.5Very low0 Ų069.6 Ų69.60%040%0.403CS..EExtended strand (participates in β ladder)trans-116.1133.3-179.2163.50000111F66 S74 L75 L77 I120 I135 I137V64-F66 HydrophobicContact CG1-CD2 4.26Å; V64-F66 HydrophobicContact CG1-CE2 3.79Å; V64-F66 HydrophobicContact CG1-CZ 4.12Å; V64-S74 CarbonylContact O-C 3.55Å; V64-S74 VanDerWaalsContact O-CA 3.31Å; V64-S74 WeakPolarHBondContact O-CA 3.48Å; V64-L75 PolarHBondContact N-O 3.23Å; V64-L75 PolarHBondContact O-N 2.7Å; V64-L77 HydrophobicContact CB-CD1 4.03Å; V64-L77 HydrophobicContact CG1-CD1 4.25Å; V64-L77 HydrophobicContact CG2-CD1 3.94Å; V64-L77 HydrophobicContact CG2-CG 4.49Å; V64-I120 HydrophobicContact CG2-CD1 4.37Å; V64-I135 VanDerWaalsContact CA-O 3.24Å; V64-I135 WeakPolarHBondContact CA-O 3.43Å; V64-I137 HydrophobicContact CB-CD1 4.19Å; V64-I137 HydrophobicContact CB-CG1 4.42Å; V64-I137 HydrophobicContact CG1-CB 3.84Å; V64-I137 HydrophobicContact CG1-CD1 3.43Å; V64-I137 VanDerWaalsContact CG1-CD1 3.43Å; V64-I137 HydrophobicContact CG1-CG1 3.53Å; V64-I137 HydrophobicContact CG2-CD1 3.67Å; V64-I137 HydrophobicContact CG2-CG1 4.17Å
65I51.9Low50.8Low8 Ų860.2 Ų60.24%0.04137%0.371CS..EExtended strand (participates in β ladder)trans-113.5124.9175.1-59174.2000110.7R67 V134 I135 I137I65-R67 HydrophobicContact CG2-CG 4Å; I65-V134 HydrophobicContact CD1-CG1 3.55Å; I65-V134 HydrophobicContact CG1-CG1 3.68Å; I65-I135 PolarHBondContact N-O 2.77Å; I65-I135 VanDerWaalsContact N-O 3.08Å; I65-I137 CarbonylContact O-C 3.54Å; I65-I137 PolarHBondContact O-N 3.5Å
66F48.3Very low52.6Low0 Ų059.2 Ų59.20%038%0.375CS..EExtended strand (participates in β ladder)trans-90.4125.1172.8-68.9-86.1000111.8V64 F70 T73 L75 L86 L93 F109 I137 C139V64-F66 HydrophobicContact CG1-CD2 4.26Å; V64-F66 HydrophobicContact CG1-CE2 3.79Å; V64-F66 HydrophobicContact CG1-CZ 4.12Å; F66-F70 HydrophobicContact CB-CD2 4.1Å; F66-T73 PolarHBondContact N-O 2.72Å; F66-L75 HydrophobicContact CD2-CD1 4.38Å; F66-L75 HydrophobicContact CE2-CD1 3.92Å; F66-L75 HydrophobicContact CE2-CG 4.48Å; F66-L86 HydrophobicContact CZ-CD2 4.21Å; F66-L93 HydrophobicContact CD2-CD1 4.21Å; F66-L93 HydrophobicContact CE2-CD1 4.3Å; F66-F109 HydrophobicContact CE1-CD1 4.14Å; F66-F109 AromaticContact CE1-CE1 3.84Å; F66-F109 HydrophobicContact CE1-CE1 3.84Å; F66-I137 WeakPolarHBondContact CA-O 3.31Å; F66-I137 HydrophobicContact CE1-CG2 4.41Å; F66-C139 HydrophobicContact CD1-CB 3.96Å; F66-C139 HydrophobicContact CE1-CB 4.46Å
67R55.5Low55Low82 Ų8252.2 Ų52.231%0.30934%0.338SS..  trans-116-18.3-170.3-73-163.1172.1161.9-3.5118.5I65 V136I65-R67 HydrophobicContact CG2-CG 4Å; R67-V136 VanDerWaalsContact CD-CG1 3.48Å; R67-V136 HydrophobicContact CG-CG1 3.82Å
68T51.9Low57.1Low68 Ų6851.8 Ų51.842%0.41733%0.327SS..SBendtrans-113.6-20.2-160.440.70000115.5E138 C139T68-E138 HydrophobicContact CG2-CB 4.05Å; T68-E138 HydrophobicContact CG2-CG 4.06Å; T68-C139 WeakPolarHBondContact CB-O 3.47Å; T68-C139 PolarHBondContact OG1-N 3.24Å; T68-C139 PolarHBondContact OG1-O 3.33Å
69L58.6Low59.3Low55 Ų5548.9 Ų48.929%0.28830%0.3SS..SBendtrans-127.9-1.8178.9-67172000113F107 C139 D141L69-F107 HydrophobicContact CD1-CD1 3.81Å; L69-F107 HydrophobicContact CD1-CE1 3.7Å; L69-C139 HydrophobicContact CD1-CB 4.48Å; L69-C139 VanDerWaalsContact CD1-O 3.32Å; L69-C139 WeakPolarHBondContact CD1-O 3.43Å; L69-C139 WeakPolarHBondContact CG-O 3.41Å; L69-D141 VanDerWaalsContact CD1-OD1 3.26Å; L69-D141 WeakPolarHBondContact CD1-OD1 3.26Å
70F64.9Low61.3Low13 Ų1355.5 Ų55.56%0.05731%0.308CS..SBendtrans-139.2151.2-172.5-52.5-70.8000108.8F66 L93 Y94 F97 C139F66-F70 HydrophobicContact CB-CD2 4.1Å; F70-L93 HydrophobicContact CD1-CB 4.26Å; F70-L93 HydrophobicContact CE1-CB 4.08Å; F70-L93 HydrophobicContact CZ-CB 4.44Å; F70-Y94 AromaticContact CE1-CD2 3.9Å; F70-Y94 HydrophobicContact CE1-CD2 3.9Å; F70-Y94 HydrophobicContact CE1-CG 4.35Å; F70-Y94 HydrophobicContact CZ-CD2 4.22Å; F70-F97 HydrophobicContact CB-CE2 4.37Å; F70-F97 AromaticContact CD1-CD2 3.71Å; F70-F97 HydrophobicContact CD1-CD2 3.71Å; F70-F97 HydrophobicContact CD1-CE2 4.25Å; F70-F97 HydrophobicContact CE1-CD2 4.5Å; F70-C139 HydrophobicContact CE2-CB 4.14Å
71P66.2Low63.2Low75 Ų7553.3 Ų53.349%0.48729%0.29SS..SBendtrans-56.7147.5164.426.4-32.9000109.3T73 F97P71-T73 VanDerWaalsContact C-N 3.32Å; P71-T73 WeakPolarHBondContact O-CB 3.09Å; P71-T73 PolarHBondContact O-N 2.94Å; P71-T73 PolarHBondContact O-OG1 3.41Å; P71-F97 HydrophobicContact CG-CD1 3.9Å; P71-F97 HydrophobicContact CG-CE1 3.28Å; P71-F97 HydrophobicContact CG-CE2 4.17Å; P71-F97 HydrophobicContact CG-CZ 3.44Å; P71-F97 VanDerWaalsContact CG-CZ 3.44Å
72D66.6Low65.4Low70 Ų7049.2 Ų49.237%0.37426%0.263SS..SBendtrans-51.192.2-175.2-75.7-23.7000111.3Y39Y39-D72 WeakPolarHBondContact CD2-OD2 3.42Å
73T69.2Low67.4Low33 Ų3351 Ų5120%0.20227%0.274CS..EExtended strand (participates in β ladder)trans-110.9120.9-174.2-58.40000107.7F66 P71 L75F66-T73 PolarHBondContact N-O 2.72Å; P71-T73 VanDerWaalsContact C-N 3.32Å; P71-T73 WeakPolarHBondContact O-CB 3.09Å; P71-T73 PolarHBondContact O-N 2.94Å; P71-T73 PolarHBondContact O-OG1 3.41Å; T73-L75 HydrophobicContact CG2-CD2 4.09Å; T73-L75 HydrophobicContact CG2-CG 4.25Å
74S74.5Confident69.4Low59 Ų5957 Ų5741%0.41330%0.302SS..EExtended strand (participates in β ladder)trans-94.8123.2177.762.10000110.5V64V64-S74 CarbonylContact O-C 3.55Å; V64-S74 VanDerWaalsContact O-CA 3.31Å; V64-S74 WeakPolarHBondContact O-CA 3.48Å
75L75.1Confident71Confident47 Ų4761.4 Ų61.425%0.24632%0.322CS..EExtended strand (participates in β ladder)trans-121.8140.6179.3-64.3-175.4000111.2V64 F66 T73 L93V64-L75 PolarHBondContact N-O 3.23Å; V64-L75 PolarHBondContact O-N 2.7Å; F66-L75 HydrophobicContact CD2-CD1 4.38Å; F66-L75 HydrophobicContact CE2-CD1 3.92Å; F66-L75 HydrophobicContact CE2-CG 4.48Å; T73-L75 HydrophobicContact CG2-CD2 4.09Å; T73-L75 HydrophobicContact CG2-CG 4.25Å; L75-L93 HydrophobicContact CD1-CD1 3.79Å; L75-L93 HydrophobicContact CD1-CD2 4.36Å; L75-L93 HydrophobicContact CD1-CG 4.47Å
76S75.1Confident72.6Confident99 Ų9961 Ų6169%0.69232%0.32SS*.EExtended strand (participates in β ladder)trans-87.5118.5172.456.50000109.8
77L75.7Confident74.5Confident21 Ų2162.4 Ų62.411%0.1133%0.328CS..EExtended strand (participates in β ladder)trans-120.1156.2-179-60.3-179.5000111.4A62 V64 L86 L89 I120A62-L77 PolarHBondContact N-O 3.19Å; A62-L77 PolarHBondContact O-N 2.85Å; A62-L77 VanDerWaalsContact O-N 3.15Å; V64-L77 HydrophobicContact CB-CD1 4.03Å; V64-L77 HydrophobicContact CG1-CD1 4.25Å; V64-L77 HydrophobicContact CG2-CD1 3.94Å; V64-L77 HydrophobicContact CG2-CG 4.49Å; L77-L86 HydrophobicContact CD1-CD2 3.31Å; L77-L89 HydrophobicContact CD1-CD1 4.5Å; L77-L89 HydrophobicContact CD2-CD1 3.43Å; L77-L89 VanDerWaalsContact CD2-CD1 3.43Å; L77-I120 HydrophobicContact CD1-CD1 4.14Å
78I75.5Confident76Confident102 Ų10263 Ų6352%0.52334%0.336SS..EExtended strand (participates in β ladder)trans-78.8136.1171.4-50.3174.2000107.7R80 A81I78-R80 HydrophobicContact CB-CG 4.33Å; I78-R80 HydrophobicContact CG2-CB 4.49Å; I78-R80 HydrophobicContact CG2-CG 3.69Å; I78-R80 PolarHBondContact O-N 3.29Å; I78-R80 VanDerWaalsContact O-N 3.1Å; I78-A81 VanDerWaalsContact O-CB 3.23Å; I78-A81 WeakPolarHBondContact O-CB 3.36Å; I78-A81 PolarHBondContact O-N 2.97Å
79E75.8Confident77.7Confident59 Ų5962.3 Ų62.328%0.27633%0.329SS..THydrogen-bonded Turntrans-55.4-29.9-179.2-71.5175.5162.700114A60 A81 I120 G121A60-E79 WeakPolarHBondContact CB-OE1 3.49Å; A60-E79 VanDerWaalsContact O-CD 3.23Å; A60-E79 VanDerWaalsContact O-CG 3.29Å; A60-E79 WeakPolarHBondContact O-CG 3.4Å; E79-A81 PolarHBondContact O-N 3.44Å; E79-I120 PolarHBondContact O-N 3.34Å; E79-G121 PolarHBondContact O-N 2.73Å
80R77.9Confident78.9Confident192 Ų19259.7 Ų59.773%0.72532%0.316SS*.THydrogen-bonded Turntrans-73-3.8177.576.5-169.2176174-2.4114.7I78 G82I78-R80 HydrophobicContact CB-CG 4.33Å; I78-R80 HydrophobicContact CG2-CB 4.49Å; I78-R80 HydrophobicContact CG2-CG 3.69Å; I78-R80 PolarHBondContact O-N 3.29Å; I78-R80 VanDerWaalsContact O-N 3.1Å; R80-G82 PolarHBondContact O-N 3.2Å
81A78.7Confident79.9Confident11 Ų1162 Ų629%0.09133%0.326CS..  trans-66.4126.5179.400000110I78 E79 E85 I120I78-A81 VanDerWaalsContact O-CB 3.23Å; I78-A81 WeakPolarHBondContact O-CB 3.36Å; I78-A81 PolarHBondContact O-N 2.97Å; E79-A81 PolarHBondContact O-N 3.44Å; A81-E85 HydrophobicContact CB-CB 4.4Å; A81-I120 HydrophobicContact CB-CD1 4.27Å; A81-I120 WeakPolarHBondContact O-CG1 3.46Å; A81-I120 PolarHBondContact O-N 3.33Å
82G85.6Confident80.8Confident10 Ų1064.2 Ų64.210%0.10333%0.328CS..  trans-93.2-175.3173.500000112.5R80 E84 E85 L86R80-G82 PolarHBondContact O-N 3.2Å; G82-E84 PolarHBondContact O-N 2.99Å; G82-E85 VanDerWaalsContact CA-OE2 3.23Å; G82-E85 WeakPolarHBondContact CA-OE2 3.24Å; G82-E85 PolarHBondContact N-OE2 3.4Å; G82-E85 PolarHBondContact O-N 3.33Å; G82-L86 WeakPolarHBondContact O-CG 3.3Å; G82-L86 PolarHBondContact O-N 3.26Å
83P87.7Confident81.6Confident43 Ų4361.9 Ų61.928%0.27932%0.315SS..Hα-helixtrans-64.6-26.5177.926.4-34.2000112.6N87 F109P83-N87 VanDerWaalsContact O-CB 3.31Å; P83-N87 WeakPolarHBondContact O-CB 3.32Å; P83-N87 PolarHBondContact O-N 2.9Å; P83-F109 HydrophobicContact CB-CD2 4.24Å; P83-F109 WeakPolarHBondContact O-CE2 3.34Å
84E88.9Confident82.2Confident151 Ų15161.6 Ų61.671%0.70631%0.31SS*.Hα-helixtrans-68.5-46.7179.2-64.2-174.1-176.900112G82 L86 N87 I88G82-E84 PolarHBondContact O-N 2.99Å; E84-L86 VanDerWaalsContact C-N 3.33Å; E84-L86 PolarHBondContact O-N 2.85Å; E84-N87 WeakPolarHBondContact O-CB 3.38Å; E84-N87 PolarHBondContact O-N 3.37Å; E84-I88 WeakPolarHBondContact O-CG1 3.12Å; E84-I88 PolarHBondContact O-N 3.41Å; E84-I88 VanDerWaalsContact O-N 3.1Å
85E86.6Confident82.6Confident91 Ų9160.2 Ų60.243%0.42530%0.301SS..Hα-helixtrans-65.2-40.2176.9-64.284.5176.500111.4A81 G82 N87 I88 L89A81-E85 HydrophobicContact CB-CB 4.4Å; G82-E85 VanDerWaalsContact CA-OE2 3.23Å; G82-E85 WeakPolarHBondContact CA-OE2 3.24Å; G82-E85 PolarHBondContact N-OE2 3.4Å; G82-E85 PolarHBondContact O-N 3.33Å; E85-N87 VanDerWaalsContact C-N 3.3Å; E85-N87 PolarHBondContact O-N 2.93Å; E85-I88 PolarHBondContact O-N 3.15Å; E85-L89 WeakPolarHBondContact O-CG 3.49Å; E85-L89 PolarHBondContact O-N 2.86Å
86L87.1Confident83Confident0 Ų064 Ų640%032%0.322CS..Hα-helixtrans-61.1-39.3173.8-72.5174.4000111.7F66 L77 G82 E84 L89 A90 F109 L116 I120 I137F66-L86 HydrophobicContact CZ-CD2 4.21Å; L77-L86 HydrophobicContact CD1-CD2 3.31Å; G82-L86 WeakPolarHBondContact O-CG 3.3Å; G82-L86 PolarHBondContact O-N 3.26Å; E84-L86 VanDerWaalsContact C-N 3.33Å; E84-L86 PolarHBondContact O-N 2.85Å; L86-L89 PolarHBondContact O-N 2.87Å; L86-A90 VanDerWaalsContact O-CB 3.31Å; L86-A90 WeakPolarHBondContact O-CB 3.25Å; L86-A90 PolarHBondContact O-N 2.86Å; L86-F109 HydrophobicContact CB-CD1 4.26Å; L86-F109 HydrophobicContact CB-CD2 3.78Å; L86-F109 HydrophobicContact CB-CE1 3.89Å; L86-F109 HydrophobicContact CB-CE2 3.37Å; L86-F109 HydrophobicContact CB-CG 4.22Å; L86-F109 HydrophobicContact CB-CZ 3.45Å; L86-F109 VanDerWaalsContact CB-CZ 3.45Å; L86-F109 HydrophobicContact CD1-CB 4.5Å; L86-F109 HydrophobicContact CD1-CD1 4.4Å; L86-F109 HydrophobicContact CD1-CD2 4.06Å; L86-F109 HydrophobicContact CD1-CG 4.02Å; L86-F109 WeakPolarHBondContact O-CZ 3.47Å; L86-L116 HydrophobicContact CD1-CD2 3.51Å; L86-I120 HydrophobicContact CD1-CD1 4.2Å; L86-I120 HydrophobicContact CD1-CG1 4.38Å; L86-I120 HydrophobicContact CD2-CD1 4.34Å; L86-I137 HydrophobicContact CD1-CD1 4.19Å; L86-I137 HydrophobicContact CD2-CD1 4.5Å
87N88.4Confident83.1Confident30 Ų3063.9 Ų63.916%0.1631%0.309CS..Hα-helixtrans-64.6-40.2177.4-168.733.3000111.6P83 E84 E85 L89 A90 K91 F107 F109P83-N87 VanDerWaalsContact O-CB 3.31Å; P83-N87 WeakPolarHBondContact O-CB 3.32Å; P83-N87 PolarHBondContact O-N 2.9Å; E84-N87 WeakPolarHBondContact O-CB 3.38Å; E84-N87 PolarHBondContact O-N 3.37Å; E85-N87 VanDerWaalsContact C-N 3.3Å; E85-N87 PolarHBondContact O-N 2.93Å; N87-L89 VanDerWaalsContact C-N 3.34Å; N87-A90 PolarHBondContact O-N 3.14Å; N87-K91 WeakPolarHBondContact O-CB 3.45Å; N87-K91 VanDerWaalsContact O-CG 3.25Å; N87-K91 WeakPolarHBondContact O-CG 3.39Å; N87-K91 PolarHBondContact O-N 3.5Å; N87-F107 PolarHBondContact OD1-N 3.21Å; N87-F109 HydrophobicContact CB-CE2 4.1Å; N87-F109 HydrophobicContact CB-CZ 4.32Å
88I87.2Confident83.1Confident95 Ų9568 Ų6849%0.48733%0.327SS..Hα-helixtrans-63.3-42.4174.2-64.2166.5000110.7E84 E85 K92E84-I88 WeakPolarHBondContact O-CG1 3.12Å; E84-I88 PolarHBondContact O-N 3.41Å; E84-I88 VanDerWaalsContact O-N 3.1Å; E85-I88 PolarHBondContact O-N 3.15Å; I88-K92 WeakPolarHBondContact O-CG 2.79Å; I88-K92 PolarHBondContact O-N 3.08Å; I88-K92 VanDerWaalsContact O-N 3.16Å
89L85.7Confident83.1Confident52 Ų5266.3 Ų66.327%0.27234%0.335SS..Hα-helixtrans-66.4-45.2177.3-70.8170.7000112L77 E85 L86 N87 K91 K92 L93L77-L89 HydrophobicContact CD1-CD1 4.5Å; L77-L89 HydrophobicContact CD2-CD1 3.43Å; L77-L89 VanDerWaalsContact CD2-CD1 3.43Å; E85-L89 WeakPolarHBondContact O-CG 3.49Å; E85-L89 PolarHBondContact O-N 2.86Å; L86-L89 PolarHBondContact O-N 2.87Å; N87-L89 VanDerWaalsContact C-N 3.34Å; L89-K91 VanDerWaalsContact C-N 3.31Å; L89-K91 PolarHBondContact O-N 3.44Å; L89-K92 WeakPolarHBondContact O-CB 3.15Å; L89-K92 PolarHBondContact O-N 3.37Å; L89-K92 VanDerWaalsContact O-N 3.14Å; L89-L93 WeakPolarHBondContact O-CG 3.04Å; L89-L93 PolarHBondContact O-N 2.88Å
90A85.2Confident83Confident0 Ų067.2 Ų67.20%034%0.344CS..Hα-helixtrans-60.4-40.8177.500000111.6L86 N87 K92 L93 Y94 F107 F109L86-A90 VanDerWaalsContact O-CB 3.31Å; L86-A90 WeakPolarHBondContact O-CB 3.25Å; L86-A90 PolarHBondContact O-N 2.86Å; N87-A90 PolarHBondContact O-N 3.14Å; A90-K92 PolarHBondContact O-N 3.44Å; A90-L93 PolarHBondContact O-N 3.03Å; A90-Y94 VanDerWaalsContact O-CB 3.3Å; A90-Y94 WeakPolarHBondContact O-CB 3.31Å; A90-Y94 PolarHBondContact O-N 3.16Å; A90-F107 HydrophobicContact CB-CB 4.36Å; A90-F107 HydrophobicContact CB-CD2 3.66Å; A90-F107 HydrophobicContact CB-CE2 4.2Å; A90-F107 HydrophobicContact CB-CG 4.12Å; A90-F109 HydrophobicContact CB-CE1 4.09Å; A90-F109 HydrophobicContact CB-CZ 4Å
91K85.7Confident82.6Confident62 Ų6264.6 Ų64.627%0.2734%0.344SS..Hα-helixtrans-59.2-45.1172.6-76.2174.6176.2-165.20112.7N87 L89 Y94 S95 S103 K105 F107N87-K91 WeakPolarHBondContact O-CB 3.45Å; N87-K91 VanDerWaalsContact O-CG 3.25Å; N87-K91 WeakPolarHBondContact O-CG 3.39Å; N87-K91 PolarHBondContact O-N 3.5Å; L89-K91 VanDerWaalsContact C-N 3.31Å; L89-K91 PolarHBondContact O-N 3.44Å; K91-Y94 PolarHBondContact O-N 3.33Å; K91-S95 PolarHBondContact O-N 3.06Å; K91-S95 PolarHBondContact O-OG 3.07Å; K91-S103 PolarHBondContact NZ-O 2.57Å; K91-K105 WeakPolarHBondContact CE-O 3.5Å; K91-K105 PolarHBondContact NZ-O 3.44Å; K91-F107 HydrophobicContact CG-CD2 4.31Å; K91-F107 HydrophobicContact CG-CE2 4.03Å
92K84.4Confident82.1Confident122 Ų12267.8 Ų67.853%0.5336%0.358SS..Hα-helixtrans-63.3-44.9177.2-71.6174.8-179.8-178.90111.8I88 L89 A90 Y94 S95 D96I88-K92 WeakPolarHBondContact O-CG 2.79Å; I88-K92 PolarHBondContact O-N 3.08Å; I88-K92 VanDerWaalsContact O-N 3.16Å; L89-K92 WeakPolarHBondContact O-CB 3.15Å; L89-K92 PolarHBondContact O-N 3.37Å; L89-K92 VanDerWaalsContact O-N 3.14Å; A90-K92 PolarHBondContact O-N 3.44Å; K92-Y94 VanDerWaalsContact C-N 3.27Å; K92-Y94 PolarHBondContact O-N 3.47Å; K92-S95 WeakPolarHBondContact CA-OG 3.37Å; K92-S95 PolarHBondContact O-N 2.79Å; K92-S95 PolarHBondContact O-OG 3.15Å; K92-D96 PolarHBondContact O-N 2.97Å
93L83.7Confident81.3Confident21 Ų2171.6 Ų71.611%0.1138%0.382CS..Hα-helixtrans-60.9-40.9174.6-67.2174.7000111.1F66 F70 L75 L89 A90 D96 F97F66-L93 HydrophobicContact CD2-CD1 4.21Å; F66-L93 HydrophobicContact CE2-CD1 4.3Å; F70-L93 HydrophobicContact CD1-CB 4.26Å; F70-L93 HydrophobicContact CE1-CB 4.08Å; F70-L93 HydrophobicContact CZ-CB 4.44Å; L75-L93 HydrophobicContact CD1-CD1 3.79Å; L75-L93 HydrophobicContact CD1-CD2 4.36Å; L75-L93 HydrophobicContact CD1-CG 4.47Å; L89-L93 WeakPolarHBondContact O-CG 3.04Å; L89-L93 PolarHBondContact O-N 2.88Å; A90-L93 PolarHBondContact O-N 3.03Å; L93-D96 PolarHBondContact O-N 3.16Å; L93-F97 HydrophobicContact CB-CD2 4.4Å; L93-F97 HydrophobicContact CB-CE2 4.42Å; L93-F97 HydrophobicContact CD2-CE2 4.43Å; L93-F97 WeakPolarHBondContact O-CD2 3.5Å; L93-F97 PolarHBondContact O-N 3.5Å
94Y81.7Confident80.7Confident26 Ų2678.1 Ų78.110%0.10241%0.409CS..Hα-helixtrans-63.8-43.3177.9-168.2-93.4000112.8F70 A90 K91 K92 D96 F97 H98 E102 F107F70-Y94 AromaticContact CE1-CD2 3.9Å; F70-Y94 HydrophobicContact CE1-CD2 3.9Å; F70-Y94 HydrophobicContact CE1-CG 4.35Å; F70-Y94 HydrophobicContact CZ-CD2 4.22Å; A90-Y94 VanDerWaalsContact O-CB 3.3Å; A90-Y94 WeakPolarHBondContact O-CB 3.31Å; A90-Y94 PolarHBondContact O-N 3.16Å; K91-Y94 PolarHBondContact O-N 3.33Å; K92-Y94 VanDerWaalsContact C-N 3.27Å; K92-Y94 PolarHBondContact O-N 3.47Å; Y94-D96 VanDerWaalsContact C-N 3.29Å; Y94-D96 PolarHBondContact O-N 3.35Å; Y94-F97 PolarHBondContact O-N 3.25Å; Y94-H98 AromaticContact CD2-CD2 3.56Å; Y94-H98 HydrophobicContact CE1-CB 4.26Å; Y94-H98 AromaticContact CE2-CD2 3.36Å; Y94-H98 WeakPolarHBondContact CE2-CD2 3.23Å; Y94-H98 AromaticContact CE2-NE2 3.79Å; Y94-H98 AromaticContact CZ-CD2 3.87Å; Y94-H98 WeakPolarHBondContact O-CB 3.39Å; Y94-H98 PolarHBondContact O-N 3.01Å; Y94-E102 HydrophobicContact CD1-CB 4.27Å; Y94-E102 HydrophobicContact CE1-CB 3.89Å; Y94-E102 HydrophobicContact CE1-CG 3.77Å; Y94-E102 WeakPolarHBondContact CE1-OE2 3.44Å; Y94-E102 PolarHBondContact OH-OE2 3.12Å; Y94-F107 HydrophobicContact CD2-CZ 4.06Å; Y94-F107 HydrophobicContact CG-CZ 4.12Å
95S83.2Confident80.3Confident30 Ų3072.8 Ų72.821%0.2138%0.384CS..Hα-helixtrans-61.4-39.3172.450.80000111.8K91 K92 G99K91-S95 PolarHBondContact O-N 3.06Å; K91-S95 PolarHBondContact O-OG 3.07Å; K92-S95 WeakPolarHBondContact CA-OG 3.37Å; K92-S95 PolarHBondContact O-N 2.79Å; K92-S95 PolarHBondContact O-OG 3.15Å; S95-G99 VanDerWaalsContact O-CA 3.3Å; S95-G99 WeakPolarHBondContact O-CA 3.26Å; S95-G99 PolarHBondContact O-N 3.46Å
96D82.6Confident80.2Confident128 Ų12874 Ų7468%0.68439%0.39SS*.Hα-helixtrans-67.5-38.4-179.7-67-13.4000112.3K92 L93 Y94K92-D96 PolarHBondContact O-N 2.97Å; L93-D96 PolarHBondContact O-N 3.16Å; Y94-D96 VanDerWaalsContact C-N 3.29Å; Y94-D96 PolarHBondContact O-N 3.35Å
97F78.2Confident80.2Confident96 Ų9674.4 Ų74.442%0.42139%0.391SS..Hα-helixtrans-85.8-38.8-178.3-74.5-65.7000114.2F70 P71 L93 Y94F70-F97 HydrophobicContact CB-CE2 4.37Å; F70-F97 AromaticContact CD1-CD2 3.71Å; F70-F97 HydrophobicContact CD1-CD2 3.71Å; F70-F97 HydrophobicContact CD1-CE2 4.25Å; F70-F97 HydrophobicContact CE1-CD2 4.5Å; P71-F97 HydrophobicContact CG-CD1 3.9Å; P71-F97 HydrophobicContact CG-CE1 3.28Å; P71-F97 HydrophobicContact CG-CE2 4.17Å; P71-F97 HydrophobicContact CG-CZ 3.44Å; P71-F97 VanDerWaalsContact CG-CZ 3.44Å; L93-F97 HydrophobicContact CB-CD2 4.4Å; L93-F97 HydrophobicContact CB-CE2 4.42Å; L93-F97 HydrophobicContact CD2-CE2 4.43Å; L93-F97 WeakPolarHBondContact O-CD2 3.5Å; L93-F97 PolarHBondContact O-N 3.5Å; Y94-F97 PolarHBondContact O-N 3.25Å
98H76.2Confident80.2Confident107 Ų10774.9 Ų74.950%0.49539%0.394SS..Hα-helixtrans-99.5-15.3-174.5-74.7-79.8000113.7Y94 V100Y94-H98 AromaticContact CD2-CD2 3.56Å; Y94-H98 HydrophobicContact CE1-CB 4.26Å; Y94-H98 AromaticContact CE2-CD2 3.36Å; Y94-H98 WeakPolarHBondContact CE2-CD2 3.23Å; Y94-H98 AromaticContact CE2-NE2 3.79Å; Y94-H98 AromaticContact CZ-CD2 3.87Å; Y94-H98 WeakPolarHBondContact O-CB 3.39Å; Y94-H98 PolarHBondContact O-N 3.01Å; H98-V100 PolarHBondContact O-N 2.91Å
99G73.9Confident80.2Confident66 Ų6670.4 Ų70.468%0.6837%0.371SS*.SBendtrans63.916.6-177.100000113.9S95S95-G99 VanDerWaalsContact O-CA 3.3Å; S95-G99 WeakPolarHBondContact O-CA 3.26Å; S95-G99 PolarHBondContact O-N 3.46Å
100V75.1Confident80.3Confident79 Ų7969.3 Ų69.348%0.47937%0.365SS..  trans-121.7121178.3-177.80000108.4H98 E102H98-V100 PolarHBondContact O-N 2.91Å; V100-E102 VanDerWaalsContact C-N 3.33Å; V100-E102 HydrophobicContact CG1-CG 3.97Å; V100-E102 PolarHBondContact O-N 2.93Å
101D69.6Low80.3Confident136 Ų13669.4 Ų69.473%0.72737%0.366SS*.  trans-75.783.5175.7-67.1-35.8000110.3S103D101-S103 PolarHBondContact O-N 2.87Å
102E67.7Low80.2Confident79 Ų7972.7 Ų72.737%0.36938%0.382SS..  trans-83.366.6169.6-68.1-169.7160.200110.4Y94 V100 E104 K105Y94-E102 HydrophobicContact CD1-CB 4.27Å; Y94-E102 HydrophobicContact CE1-CB 3.89Å; Y94-E102 HydrophobicContact CE1-CG 3.77Å; Y94-E102 WeakPolarHBondContact CE1-OE2 3.44Å; Y94-E102 PolarHBondContact OH-OE2 3.12Å; V100-E102 VanDerWaalsContact C-N 3.33Å; V100-E102 HydrophobicContact CG1-CG 3.97Å; V100-E102 PolarHBondContact O-N 2.93Å; E102-E104 PolarHBondContact O-N 2.78Å; E102-E104 VanDerWaalsContact O-N 3.15Å; E102-K105 HydrophobicContact CB-CB 3.89Å; E102-K105 WeakPolarHBondContact O-CB 3.32Å; E102-K105 PolarHBondContact O-N 3.45Å; E102-K105 WeakPolarHBondContact OE2-CD 3.5Å; E102-K105 IonicContact OE2-NZ 2.93Å
103S69.6Low80.2Confident89 Ų8975.2 Ų75.262%0.62239%0.393SS*.THydrogen-bonded Turntrans-58.1-27.518060.60000113.3K91 D101K91-S103 PolarHBondContact NZ-O 2.57Å; D101-S103 PolarHBondContact O-N 2.87Å
104E74.8Confident80.3Confident181 Ų18177.6 Ų77.685%0.84641%0.408SS*.THydrogen-bonded Turntrans-82.1-17.5179.7-62.8-173.917200113.9E102 Q106E102-E104 PolarHBondContact O-N 2.78Å; E102-E104 VanDerWaalsContact O-N 3.15Å; E104-Q106 PolarHBondContact O-N 3.1Å
105K79.2Confident80.7Confident39 Ų3978.6 Ų78.617%0.1742%0.415CS..  trans-71.8129.3-175.9-170.8161.4-177.5-178.90110.2K91 E102 F107 D141K91-K105 WeakPolarHBondContact CE-O 3.5Å; K91-K105 PolarHBondContact NZ-O 3.44Å; E102-K105 HydrophobicContact CB-CB 3.89Å; E102-K105 WeakPolarHBondContact O-CB 3.32Å; E102-K105 PolarHBondContact O-N 3.45Å; E102-K105 WeakPolarHBondContact OE2-CD 3.5Å; E102-K105 IonicContact OE2-NZ 2.93Å; K105-F107 HydrophobicContact CB-CZ 4.44Å; K105-F107 HydrophobicContact CD-CE1 3.9Å; K105-F107 HydrophobicContact CD-CZ 3.76Å; K105-F107 HydrophobicContact CG-CE1 4Å; K105-F107 HydrophobicContact CG-CE2 4.3Å; K105-F107 HydrophobicContact CG-CZ 3.82Å; K105-D141 WeakPolarHBondContact CE-OD1 3.29Å; K105-D141 WeakPolarHBondContact CE-OD2 3.4Å; K105-D141 IonicContact NZ-OD1 2.91Å; K105-D141 PolarHBondContact NZ-OD1 2.91Å; K105-D141 IonicContact NZ-OD2 3.84Å; K105-D141 PolarHBondContact NZ-OD2 2.81Å
106Q85.8Confident80.9Confident117 Ų11777.4 Ų77.455%0.54741%0.406SS..  trans-105.1142.2173.9-67.5-174.88.900108.8E104 C142E104-Q106 PolarHBondContact O-N 3.1Å; Q106-C142 HydrophobicContact CB-CB 3.69Å; Q106-C142 WeakPolarHBondContact O-CB 3.24Å; Q106-C142 PolarHBondContact O-N 2.79Å
107F86.5Confident81.3Confident7 Ų780.2 Ų80.23%0.03141%0.407CS..EExtended strand (participates in β ladder)trans-114.4138.8176.5-60.7-74.2000110.2L69 N87 A90 K91 Y94 K105 F109 C139 I140L69-F107 HydrophobicContact CD1-CD1 3.81Å; L69-F107 HydrophobicContact CD1-CE1 3.7Å; N87-F107 PolarHBondContact OD1-N 3.21Å; A90-F107 HydrophobicContact CB-CB 4.36Å; A90-F107 HydrophobicContact CB-CD2 3.66Å; A90-F107 HydrophobicContact CB-CE2 4.2Å; A90-F107 HydrophobicContact CB-CG 4.12Å; K91-F107 HydrophobicContact CG-CD2 4.31Å; K91-F107 HydrophobicContact CG-CE2 4.03Å; Y94-F107 HydrophobicContact CD2-CZ 4.06Å; Y94-F107 HydrophobicContact CG-CZ 4.12Å; K105-F107 HydrophobicContact CB-CZ 4.44Å; K105-F107 HydrophobicContact CD-CE1 3.9Å; K105-F107 HydrophobicContact CD-CZ 3.76Å; K105-F107 HydrophobicContact CG-CE1 4Å; K105-F107 HydrophobicContact CG-CE2 4.3Å; K105-F107 HydrophobicContact CG-CZ 3.82Å; F107-F109 HydrophobicContact CB-CE1 4.43Å; F107-F109 HydrophobicContact CB-CZ 4.03Å; F107-C139 VanDerWaalsContact CB-SG 3.55Å; F107-C139 WeakPolarHBondContact CD1-SG 3.39Å; F107-I140 CarbonylContact C-O 3.54Å; F107-I140 VanDerWaalsContact CA-O 3.24Å; F107-I140 WeakPolarHBondContact CA-O 3.08Å
108D87.3Confident81.8Confident40 Ų4078.4 Ų78.421%0.21440%0.404CS..EExtended strand (participates in β ladder)trans-102.2153.1166.5-82.5-41.9000109.3L115 I140 C142D108-L115 HydrophobicContact CB-CD1 4.02Å; D108-I140 HydrophobicContact CB-CD1 3.67Å; D108-I140 HydrophobicContact CB-CG1 3.54Å; D108-I140 PolarHBondContact N-O 2.89Å; D108-I140 VanDerWaalsContact O-CG1 3.31Å; D108-I140 WeakPolarHBondContact O-CG1 3.37Å; D108-I140 PolarHBondContact O-N 3.37Å; D108-C142 PolarHBondContact OD2-SG 2.82Å
109F88.8Confident82.3Confident2 Ų274.3 Ų74.31%0.00939%0.388CS..EExtended strand (participates in β ladder)trans-117.9132.6-175-58.7-73.5000110.5F66 P83 L86 N87 A90 F107 L115 L116 I137 E138 C139F66-F109 HydrophobicContact CE1-CD1 4.14Å; F66-F109 AromaticContact CE1-CE1 3.84Å; F66-F109 HydrophobicContact CE1-CE1 3.84Å; P83-F109 HydrophobicContact CB-CD2 4.24Å; P83-F109 WeakPolarHBondContact O-CE2 3.34Å; L86-F109 HydrophobicContact CB-CD1 4.26Å; L86-F109 HydrophobicContact CB-CD2 3.78Å; L86-F109 HydrophobicContact CB-CE1 3.89Å; L86-F109 HydrophobicContact CB-CE2 3.37Å; L86-F109 HydrophobicContact CB-CG 4.22Å; L86-F109 HydrophobicContact CB-CZ 3.45Å; L86-F109 VanDerWaalsContact CB-CZ 3.45Å; L86-F109 HydrophobicContact CD1-CB 4.5Å; L86-F109 HydrophobicContact CD1-CD1 4.4Å; L86-F109 HydrophobicContact CD1-CD2 4.06Å; L86-F109 HydrophobicContact CD1-CG 4.02Å; L86-F109 WeakPolarHBondContact O-CZ 3.47Å; N87-F109 HydrophobicContact CB-CE2 4.1Å; N87-F109 HydrophobicContact CB-CZ 4.32Å; A90-F109 HydrophobicContact CB-CE1 4.09Å; A90-F109 HydrophobicContact CB-CZ 4Å; F107-F109 HydrophobicContact CB-CE1 4.43Å; F107-F109 HydrophobicContact CB-CZ 4.03Å; F109-L115 WeakPolarHBondContact O-CA 3.48Å; F109-L116 HydrophobicContact CB-CB 4.15Å; F109-L116 HydrophobicContact CB-CD2 4.35Å; F109-L116 PolarHBondContact O-N 2.89Å; F109-I137 HydrophobicContact CB-CG2 3.79Å; F109-I137 HydrophobicContact CD1-CG2 3.74Å; F109-I137 HydrophobicContact CG-CG2 4.16Å; F109-E138 CarbonylContact C-O 3.56Å; F109-E138 WeakPolarHBondContact CA-O 3.44Å; F109-C139 HydrophobicContact CD1-CB 4.44Å; F109-C139 HydrophobicContact CE1-CB 4.34Å
110L86.6Confident82.9Confident29 Ų2971.2 Ų71.215%0.15236%0.355CS..EExtended strand (participates in β ladder)trans-116.3134.9171.4-56.695.5000111.3V114 I137 E138 I140L110-V114 CarbonylContact C-O 3.56Å; L110-V114 VanDerWaalsContact CA-O 3.24Å; L110-V114 WeakPolarHBondContact CA-O 3.49Å; L110-I137 CarbonylContact O-C 3.51Å; L110-I137 WeakPolarHBondContact O-CA 3.39Å; L110-E138 HydrophobicContact CB-CB 4.24Å; L110-E138 HydrophobicContact CD1-CB 4.46Å; L110-E138 PolarHBondContact N-O 2.96Å; L110-E138 PolarHBondContact O-N 3.38Å; L110-I140 HydrophobicContact CD1-CB 4.16Å; L110-I140 HydrophobicContact CD1-CD1 3.68Å; L110-I140 HydrophobicContact CD1-CG1 3.6Å; L110-I140 HydrophobicContact CD1-CG2 3.46Å; L110-I140 VanDerWaalsContact CD1-CG2 3.46Å
111I85.2Confident83.3Confident2 Ų268.2 Ų68.21%0.0134%0.34CS..EExtended strand (participates in β ladder)trans-115.9123.4169.6-59.8171.4000107K113 V114 L116 F123 L129 I135 I137I111-K113 PolarHBondContact O-N 3.37Å; I111-K113 VanDerWaalsContact O-N 3.12Å; I111-V114 PolarHBondContact N-O 2.78Å; I111-V114 WeakPolarHBondContact O-CB 3.39Å; I111-V114 PolarHBondContact O-N 3.34Å; I111-L116 HydrophobicContact CD1-CD1 3.93Å; I111-L116 HydrophobicContact CD1-CD2 4.32Å; I111-L116 HydrophobicContact CD1-CG 4.49Å; I111-F123 HydrophobicContact CB-CD1 4.15Å; I111-F123 HydrophobicContact CB-CE1 3.48Å; I111-F123 VanDerWaalsContact CB-CE1 3.48Å; I111-F123 HydrophobicContact CB-CE2 4.49Å; I111-F123 HydrophobicContact CB-CZ 3.67Å; I111-F123 HydrophobicContact CD1-CD1 3.64Å; I111-F123 HydrophobicContact CD1-CE1 3.91Å; I111-F123 HydrophobicContact CD1-CG 4.06Å; I111-F123 HydrophobicContact CD1-CZ 4.49Å; I111-F123 HydrophobicContact CG1-CD1 4.49Å; I111-F123 HydrophobicContact CG1-CE1 4.28Å; I111-F123 HydrophobicContact CG2-CD1 4.03Å; I111-F123 HydrophobicContact CG2-CE1 3.31Å; I111-F123 HydrophobicContact CG2-CZ 3.95Å; I111-L129 HydrophobicContact CG2-CD1 4.35Å; I111-I135 HydrophobicContact CD1-CG2 4Å; I111-I135 HydrophobicContact CG1-CG2 4.1Å; I111-I135 HydrophobicContact CG2-CG2 3.64Å; I111-I137 HydrophobicContact CD1-CD1 4.34Å; I111-I137 HydrophobicContact CD1-CG1 4.36Å; I111-I137 HydrophobicContact CG1-CD1 4.41Å; I111-I137 HydrophobicContact CG1-CG1 3.95Å
112Q83.8Confident84.1Confident131 Ų13165.8 Ų65.861%0.61233%0.327SS*.THydrogen-bonded Turntrans50.937.3-177.4-61.1-179.7-22.400113.3V114 L129Q112-V114 PolarHBondContact O-N 3.12Å; Q112-L129 VanDerWaalsContact NE2-CD2 3.31Å
113K84Confident85Confident175 Ų17562.4 Ų62.476%0.76131%0.311SS*.THydrogen-bonded Turntrans66.911.9-176.1-47.6176.3179.6178.90115.2I111I111-K113 PolarHBondContact O-N 3.37Å; I111-K113 VanDerWaalsContact O-N 3.12Å
114V87.2Confident85.8Confident70 Ų7059 Ų5942%0.42429%0.287SS..EExtended strand (participates in β ladder)trans-103.6133171.2-177.30000108.6L110 I111 Q112 L116 F123L110-V114 CarbonylContact C-O 3.56Å; L110-V114 VanDerWaalsContact CA-O 3.24Å; L110-V114 WeakPolarHBondContact CA-O 3.49Å; I111-V114 PolarHBondContact N-O 2.78Å; I111-V114 WeakPolarHBondContact O-CB 3.39Å; I111-V114 PolarHBondContact O-N 3.34Å; Q112-V114 PolarHBondContact O-N 3.12Å; V114-L116 PolarHBondContact O-N 3.27Å; V114-F123 HydrophobicContact CB-CE2 4.12Å; V114-F123 HydrophobicContact CB-CZ 4.06Å; V114-F123 HydrophobicContact CG1-CE2 3.89Å; V114-F123 HydrophobicContact CG1-CZ 4.31Å
115L88.9Confident86.3Confident48 Ų4855.4 Ų55.425%0.25128%0.277SS..EExtended strand (participates in β ladder)trans-73.4127.6-179.1-164122.2000110.8D108 F109 R117 I140D108-L115 HydrophobicContact CB-CD1 4.02Å; F109-L115 WeakPolarHBondContact O-CA 3.48Å; L115-R117 HydrophobicContact CD2-CG 4.13Å; L115-R117 VanDerWaalsContact CD2-NH2 3.34Å; L115-R117 PolarHBondContact O-N 3.34Å; L115-I140 HydrophobicContact CD1-CD1 4.39Å
116L88.5Confident86.7Confident4 Ų459 Ų592%0.02130%0.298CS..  trans-73.1115.2179.5-178.566.8000109.8L86 F109 I111 V114 T118 I120 F123L86-L116 HydrophobicContact CD1-CD2 3.51Å; F109-L116 HydrophobicContact CB-CB 4.15Å; F109-L116 HydrophobicContact CB-CD2 4.35Å; F109-L116 PolarHBondContact O-N 2.89Å; I111-L116 HydrophobicContact CD1-CD1 3.93Å; I111-L116 HydrophobicContact CD1-CD2 4.32Å; I111-L116 HydrophobicContact CD1-CG 4.49Å; V114-L116 PolarHBondContact O-N 3.27Å; L116-T118 VanDerWaalsContact CD1-O 3.31Å; L116-T118 WeakPolarHBondContact CD1-O 2.79Å; L116-T118 WeakPolarHBondContact CG-O 3.33Å; L116-I120 HydrophobicContact CD2-CG1 4.22Å; L116-F123 HydrophobicContact CD1-CB 3.68Å; L116-F123 HydrophobicContact CD1-CD2 3.87Å; L116-F123 HydrophobicContact CD1-CG 3.86Å
117R90.1Very high86.6Confident188 Ų18856.7 Ų56.771%0.70929%0.289SS*.  trans-110.4-20.7176.5-66.8-63.5-168-163.5-3.8113.4L115L115-R117 HydrophobicContact CD2-CG 4.13Å; L115-R117 VanDerWaalsContact CD2-NH2 3.34Å; L115-R117 PolarHBondContact O-N 3.34Å
118T88.5Confident86.4Confident57 Ų5763.3 Ų63.335%0.3533%0.325SS..SBendtrans-113.7-174.1-176.652.80000110.6L116L116-T118 VanDerWaalsContact CD1-O 3.31Å; L116-T118 WeakPolarHBondContact CD1-O 2.79Å; L116-T118 WeakPolarHBondContact CG-O 3.33Å
119S88.1Confident86Confident22 Ų2262.8 Ų62.815%0.15432%0.322CS..  trans-65.9156.2171.175.70000111.1G121 D122 F123S119-G121 PolarHBondContact O-N 3.05Å; S119-D122 PolarHBondContact O-N 3.35Å; S119-D122 PolarHBondContact OG-N 3.03Å; S119-D122 PolarHBondContact OG-OD2 3.43Å; S119-F123 WeakPolarHBondContact O-CB 3.2Å; S119-F123 PolarHBondContact O-N 3.14Å
120I85.3Confident85.3Confident1 Ų166.2 Ų66.21%0.00534%0.344CS..Hα-helixtrans-57-41.1176.8-64.2168.7000110.5V64 L77 E79 A81 L86 L116 F123 V124 I135 I137V64-I120 HydrophobicContact CG2-CD1 4.37Å; L77-I120 HydrophobicContact CD1-CD1 4.14Å; E79-I120 PolarHBondContact O-N 3.34Å; A81-I120 HydrophobicContact CB-CD1 4.27Å; A81-I120 WeakPolarHBondContact O-CG1 3.46Å; A81-I120 PolarHBondContact O-N 3.33Å; L86-I120 HydrophobicContact CD1-CD1 4.2Å; L86-I120 HydrophobicContact CD1-CG1 4.38Å; L86-I120 HydrophobicContact CD2-CD1 4.34Å; L116-I120 HydrophobicContact CD2-CG1 4.22Å; I120-F123 PolarHBondContact O-N 3.08Å; I120-V124 HydrophobicContact CG2-CG2 4.34Å; I120-V124 VanDerWaalsContact O-CG2 3.24Å; I120-V124 WeakPolarHBondContact O-CG2 3.38Å; I120-V124 PolarHBondContact O-N 3.49Å; I120-I135 HydrophobicContact CG2-CD1 3.79Å; I120-I137 HydrophobicContact CD1-CD1 4.22Å
121G83.7Confident84.3Confident15 Ų1568.4 Ų68.416%0.15536%0.362CS..Hα-helixtrans-60.9-47.9178.300000112.8E79 S119 F123 V124 V125E79-G121 PolarHBondContact O-N 2.73Å; S119-G121 PolarHBondContact O-N 3.05Å; G121-F123 VanDerWaalsContact C-N 3.32Å; G121-F123 PolarHBondContact O-N 3.05Å; G121-V124 PolarHBondContact O-N 3.17Å; G121-V125 WeakPolarHBondContact O-CG2 3.31Å; G121-V125 PolarHBondContact O-N 3.34Å; G121-V125 VanDerWaalsContact O-N 3.09Å
122D86.9Confident83.6Confident85 Ų8577.1 Ų77.146%0.45540%0.403SS..Hα-helixtrans-62.7-42.3176.9-59.3-40.7000110.8S119 V124 V125 D126S119-D122 PolarHBondContact O-N 3.35Å; S119-D122 PolarHBondContact OG-N 3.03Å; S119-D122 PolarHBondContact OG-OD2 3.43Å; D122-V124 VanDerWaalsContact C-N 3.32Å; D122-V124 PolarHBondContact O-N 2.96Å; D122-V125 PolarHBondContact O-N 3.42Å; D122-D126 WeakPolarHBondContact O-CB 3.24Å; D122-D126 VanDerWaalsContact O-CG 3.25Å; D122-D126 PolarHBondContact O-N 3.05Å
123F86.6Confident83Confident8 Ų875.7 Ų75.74%0.03540%0.399CS..Hα-helixtrans-61.5-39.7178-174.3-85.3000112.6I111 V114 L116 S119 I120 G121 N127 L129I111-F123 HydrophobicContact CB-CD1 4.15Å; I111-F123 HydrophobicContact CB-CE1 3.48Å; I111-F123 VanDerWaalsContact CB-CE1 3.48Å; I111-F123 HydrophobicContact CB-CE2 4.49Å; I111-F123 HydrophobicContact CB-CZ 3.67Å; I111-F123 HydrophobicContact CD1-CD1 3.64Å; I111-F123 HydrophobicContact CD1-CE1 3.91Å; I111-F123 HydrophobicContact CD1-CG 4.06Å; I111-F123 HydrophobicContact CD1-CZ 4.49Å; I111-F123 HydrophobicContact CG1-CD1 4.49Å; I111-F123 HydrophobicContact CG1-CE1 4.28Å; I111-F123 HydrophobicContact CG2-CD1 4.03Å; I111-F123 HydrophobicContact CG2-CE1 3.31Å; I111-F123 HydrophobicContact CG2-CZ 3.95Å; V114-F123 HydrophobicContact CB-CE2 4.12Å; V114-F123 HydrophobicContact CB-CZ 4.06Å; V114-F123 HydrophobicContact CG1-CE2 3.89Å; V114-F123 HydrophobicContact CG1-CZ 4.31Å; L116-F123 HydrophobicContact CD1-CB 3.68Å; L116-F123 HydrophobicContact CD1-CD2 3.87Å; L116-F123 HydrophobicContact CD1-CG 3.86Å; S119-F123 WeakPolarHBondContact O-CB 3.2Å; S119-F123 PolarHBondContact O-N 3.14Å; I120-F123 PolarHBondContact O-N 3.08Å; G121-F123 VanDerWaalsContact C-N 3.32Å; G121-F123 PolarHBondContact O-N 3.05Å; F123-N127 WeakPolarHBondContact CD2-ND2 3.31Å; F123-N127 HydrophobicContact CE1-CB 4.37Å; F123-N127 WeakPolarHBondContact CE1-ND2 3.45Å; F123-N127 VanDerWaalsContact CE2-ND2 3.3Å; F123-N127 WeakPolarHBondContact CE2-ND2 3.33Å; F123-N127 VanDerWaalsContact CZ-ND2 3.26Å; F123-N127 WeakPolarHBondContact CZ-ND2 3.23Å; F123-N127 WeakPolarHBondContact O-CB 3.36Å; F123-N127 PolarHBondContact O-N 3.42Å; F123-N127 PolarHBondContact O-ND2 3.1Å; F123-L129 HydrophobicContact CD1-CD1 4.1Å; F123-L129 HydrophobicContact CE1-CD1 3.92Å
124V85Confident82.6Confident19 Ų1969 Ų6912%0.11537%0.373CS..Hα-helixtrans-63.8-43.8176.4165.80000110.9I120 G121 D122 N128 L129 I135I120-V124 HydrophobicContact CG2-CG2 4.34Å; I120-V124 VanDerWaalsContact O-CG2 3.24Å; I120-V124 WeakPolarHBondContact O-CG2 3.38Å; I120-V124 PolarHBondContact O-N 3.49Å; G121-V124 PolarHBondContact O-N 3.17Å; D122-V124 VanDerWaalsContact C-N 3.32Å; D122-V124 PolarHBondContact O-N 2.96Å; V124-N128 PolarHBondContact O-N 3.48Å; V124-N128 VanDerWaalsContact O-N 3.1Å; V124-L129 HydrophobicContact CB-CB 4.41Å; V124-L129 HydrophobicContact CG1-CB 4.07Å; V124-L129 WeakPolarHBondContact CG1-O 3.46Å; V124-L129 HydrophobicContact CG2-CB 4.38Å; V124-L129 HydrophobicContact CG2-CD1 4.38Å; V124-L129 PolarHBondContact O-N 3.29Å; V124-I135 HydrophobicContact CG2-CD1 3.36Å
125V86Confident82.2Confident105 Ų10566.2 Ų66.264%0.63636%0.356SS*.Hα-helixtrans-65.8-48.4177.8173.60000111G121 D122 N127 N128G121-V125 WeakPolarHBondContact O-CG2 3.31Å; G121-V125 PolarHBondContact O-N 3.34Å; G121-V125 VanDerWaalsContact O-N 3.09Å; D122-V125 PolarHBondContact O-N 3.42Å; V125-N127 VanDerWaalsContact C-N 3.32Å; V125-N127 PolarHBondContact O-N 2.83Å; V125-N128 PolarHBondContact O-N 3.4Å
126D87.4Confident81.9Confident114 Ų11465.7 Ų65.761%0.6135%0.354SS*.Hα-helixtrans-63.5-36.3-177.4-72.9-18.7000112.6D122D122-D126 WeakPolarHBondContact O-CB 3.24Å; D122-D126 VanDerWaalsContact O-CG 3.25Å; D122-D126 PolarHBondContact O-N 3.05Å
127N84.5Confident81.7Confident68 Ų6865.5 Ų65.536%0.36435%0.353SS..THydrogen-bonded Turntrans-95.15.7-179.9-65.5-81.7000113.6F123 V125 L129F123-N127 WeakPolarHBondContact CD2-ND2 3.31Å; F123-N127 HydrophobicContact CE1-CB 4.37Å; F123-N127 WeakPolarHBondContact CE1-ND2 3.45Å; F123-N127 VanDerWaalsContact CE2-ND2 3.3Å; F123-N127 WeakPolarHBondContact CE2-ND2 3.33Å; F123-N127 VanDerWaalsContact CZ-ND2 3.26Å; F123-N127 WeakPolarHBondContact CZ-ND2 3.23Å; F123-N127 WeakPolarHBondContact O-CB 3.36Å; F123-N127 PolarHBondContact O-N 3.42Å; F123-N127 PolarHBondContact O-ND2 3.1Å; V125-N127 VanDerWaalsContact C-N 3.32Å; V125-N127 PolarHBondContact O-N 2.83Å; N127-L129 HydrophobicContact CB-CD1 4.47Å; N127-L129 HydrophobicContact CB-CG 4.03Å; N127-L129 PolarHBondContact O-N 3Å
128N81.6Confident81.4Confident147 Ų14759.4 Ų59.479%0.78633%0.333SS*.THydrogen-bonded Turntrans49.642.1-175.9-63.5-75.3000113.2V124 V125V124-N128 PolarHBondContact O-N 3.48Å; V124-N128 VanDerWaalsContact O-N 3.1Å; V125-N128 PolarHBondContact O-N 3.4Å
129L78.8Confident81.2Confident29 Ų2956.7 Ų56.715%0.15232%0.316CS..  trans-75.8138.7176-61.8179.1000109.7I111 Q112 F123 V124 N127 S131I111-L129 HydrophobicContact CG2-CD1 4.35Å; Q112-L129 VanDerWaalsContact NE2-CD2 3.31Å; F123-L129 HydrophobicContact CD1-CD1 4.1Å; F123-L129 HydrophobicContact CE1-CD1 3.92Å; V124-L129 HydrophobicContact CB-CB 4.41Å; V124-L129 HydrophobicContact CG1-CB 4.07Å; V124-L129 WeakPolarHBondContact CG1-O 3.46Å; V124-L129 HydrophobicContact CG2-CB 4.38Å; V124-L129 HydrophobicContact CG2-CD1 4.38Å; V124-L129 PolarHBondContact O-N 3.29Å; N127-L129 HydrophobicContact CB-CD1 4.47Å; N127-L129 HydrophobicContact CB-CG 4.03Å; N127-L129 PolarHBondContact O-N 3Å; L129-S131 PolarHBondContact O-N 2.83Å
130P74.2Confident81.1Confident73 Ų7358.5 Ų58.547%0.47432%0.324SS..  trans-67.2128.7175.925.2-30000109.4E132 N133P130-E132 PolarHBondContact O-N 2.91Å; P130-E132 VanDerWaalsContact O-N 3.16Å; P130-N133 HydrophobicContact CG-CB 3.9Å; P130-N133 VanDerWaalsContact CG-ND2 3.32Å; P130-N133 WeakPolarHBondContact CG-ND2 3.5Å; P130-N133 WeakPolarHBondContact O-CB 3.24Å; P130-N133 PolarHBondContact O-N 3.21Å
131S65.7Low81Confident76 Ų7661.2 Ų61.253%0.53134%0.338SS..THydrogen-bonded Turntrans-62.1-21.6-178.351.40000113.8L129 N133L129-S131 PolarHBondContact O-N 2.83Å; S131-N133 VanDerWaalsContact C-N 3.32Å
132E71Confident81Confident185 Ų18562 Ų6286%0.86434%0.341SS*.THydrogen-bonded Turntrans-83.3-7.1177.6-60.5-174.5167.500113.2P130P130-E132 PolarHBondContact O-N 2.91Å; P130-E132 VanDerWaalsContact O-N 3.16Å
133N71.3Confident80.6Confident100 Ų10064.8 Ų64.854%0.53535%0.351SS..SBendtrans-83148.2-179.9-98.4-4.5000112.9P130 S131 I135P130-N133 HydrophobicContact CG-CB 3.9Å; P130-N133 VanDerWaalsContact CG-ND2 3.32Å; P130-N133 WeakPolarHBondContact CG-ND2 3.5Å; P130-N133 WeakPolarHBondContact O-CB 3.24Å; P130-N133 PolarHBondContact O-N 3.21Å; S131-N133 VanDerWaalsContact C-N 3.32Å; N133-I135 PolarHBondContact O-N 3.26Å
134V74.5Confident80.2Confident35 Ų3569.2 Ų69.221%0.21238%0.381CS..PPolyproline II helixtrans-71.4122.2165.6-176.70000109.1L63 I65L63-V134 HydrophobicContact CB-CG1 4.12Å; L63-V134 HydrophobicContact CB-CG2 4.19Å; L63-V134 HydrophobicContact CD2-CB 4.37Å; L63-V134 HydrophobicContact CD2-CG1 3.72Å; L63-V134 HydrophobicContact CD2-CG2 3.74Å; L63-V134 HydrophobicContact CG-CG1 4.04Å; L63-V134 HydrophobicContact CG-CG2 4.49Å; I65-V134 HydrophobicContact CD1-CG1 3.55Å; I65-V134 HydrophobicContact CG1-CG1 3.68Å
135I80.2Confident80Confident11 Ų1172.1 Ų72.16%0.05641%0.407CS..EExtended strand (participates in β ladder)trans-90.5118.2179.8-57.3173.9000108.2A62 L63 V64 I65 I111 I120 V124 N133 I137A62-I135 HydrophobicContact CB-CD1 4.21Å; L63-I135 PolarHBondContact O-N 3.5Å; V64-I135 VanDerWaalsContact CA-O 3.24Å; V64-I135 WeakPolarHBondContact CA-O 3.43Å; I65-I135 PolarHBondContact N-O 2.77Å; I65-I135 VanDerWaalsContact N-O 3.08Å; I111-I135 HydrophobicContact CD1-CG2 4Å; I111-I135 HydrophobicContact CG1-CG2 4.1Å; I111-I135 HydrophobicContact CG2-CG2 3.64Å; I120-I135 HydrophobicContact CG2-CD1 3.79Å; V124-I135 HydrophobicContact CG2-CD1 3.36Å; N133-I135 PolarHBondContact O-N 3.26Å; I135-I137 HydrophobicContact CG2-CG1 4.11Å; I135-I137 PolarHBondContact O-N 3.34Å
136V82.8Confident79.8Confident37 Ų3773.1 Ų73.122%0.22442%0.416CS..EExtended strand (participates in β ladder)trans-83.8119.6174.1-179.20000108.3R67R67-V136 VanDerWaalsContact CD-CG1 3.48Å; R67-V136 HydrophobicContact CG-CG1 3.82Å
137I82.9Confident79.4Confident0 Ų074 Ų740%042%0.42CS..EExtended strand (participates in β ladder)trans-109.4115.4176.7-56.9-168.4000108.5V64 I65 F66 L86 F109 L110 I111 I120 I135V64-I137 HydrophobicContact CB-CD1 4.19Å; V64-I137 HydrophobicContact CB-CG1 4.42Å; V64-I137 HydrophobicContact CG1-CB 3.84Å; V64-I137 HydrophobicContact CG1-CD1 3.43Å; V64-I137 VanDerWaalsContact CG1-CD1 3.43Å; V64-I137 HydrophobicContact CG1-CG1 3.53Å; V64-I137 HydrophobicContact CG2-CD1 3.67Å; V64-I137 HydrophobicContact CG2-CG1 4.17Å; I65-I137 CarbonylContact O-C 3.54Å; I65-I137 PolarHBondContact O-N 3.5Å; F66-I137 WeakPolarHBondContact CA-O 3.31Å; F66-I137 HydrophobicContact CE1-CG2 4.41Å; L86-I137 HydrophobicContact CD1-CD1 4.19Å; L86-I137 HydrophobicContact CD2-CD1 4.5Å; F109-I137 HydrophobicContact CB-CG2 3.79Å; F109-I137 HydrophobicContact CD1-CG2 3.74Å; F109-I137 HydrophobicContact CG-CG2 4.16Å; L110-I137 CarbonylContact O-C 3.51Å; L110-I137 WeakPolarHBondContact O-CA 3.39Å; I111-I137 HydrophobicContact CD1-CD1 4.34Å; I111-I137 HydrophobicContact CD1-CG1 4.36Å; I111-I137 HydrophobicContact CG1-CD1 4.41Å; I111-I137 HydrophobicContact CG1-CG1 3.95Å; I120-I137 HydrophobicContact CD1-CD1 4.22Å; I135-I137 HydrophobicContact CG2-CG1 4.11Å; I135-I137 PolarHBondContact O-N 3.34Å
138E84.6Confident79.3Confident60 Ų6077 Ų7728%0.2844%0.444SS..EExtended strand (participates in β ladder)trans-82.8133.6170.1-64173.7-166.500108.8T68 F109 L110T68-E138 HydrophobicContact CG2-CB 4.05Å; T68-E138 HydrophobicContact CG2-CG 4.06Å; F109-E138 CarbonylContact C-O 3.56Å; F109-E138 WeakPolarHBondContact CA-O 3.44Å; L110-E138 HydrophobicContact CB-CB 4.24Å; L110-E138 HydrophobicContact CD1-CB 4.46Å; L110-E138 PolarHBondContact N-O 2.96Å; L110-E138 PolarHBondContact O-N 3.38Å
139C84.8Confident78.9Confident0 Ų074.7 Ų74.70%044%0.438CS..EExtended strand (participates in β ladder)trans-107.4123.2178.8-178.60000108.8F66 T68 L69 F70 F107 F109F66-C139 HydrophobicContact CD1-CB 3.96Å; F66-C139 HydrophobicContact CE1-CB 4.46Å; T68-C139 WeakPolarHBondContact CB-O 3.47Å; T68-C139 PolarHBondContact OG1-N 3.24Å; T68-C139 PolarHBondContact OG1-O 3.33Å; L69-C139 HydrophobicContact CD1-CB 4.48Å; L69-C139 VanDerWaalsContact CD1-O 3.32Å; L69-C139 WeakPolarHBondContact CD1-O 3.43Å; L69-C139 WeakPolarHBondContact CG-O 3.41Å; F70-C139 HydrophobicContact CE2-CB 4.14Å; F107-C139 VanDerWaalsContact CB-SG 3.55Å; F107-C139 WeakPolarHBondContact CD1-SG 3.39Å; F109-C139 HydrophobicContact CD1-CB 4.44Å; F109-C139 HydrophobicContact CE1-CB 4.34Å
140I84.5Confident78.9Confident61 Ų6182.7 Ų82.731%0.31347%0.472SS..EExtended strand (participates in β ladder)trans-118.7152.8-179.757.5158000110F107 D108 L110 L115 C142F107-I140 CarbonylContact C-O 3.54Å; F107-I140 VanDerWaalsContact CA-O 3.24Å; F107-I140 WeakPolarHBondContact CA-O 3.08Å; D108-I140 HydrophobicContact CB-CD1 3.67Å; D108-I140 HydrophobicContact CB-CG1 3.54Å; D108-I140 PolarHBondContact N-O 2.89Å; D108-I140 VanDerWaalsContact O-CG1 3.31Å; D108-I140 WeakPolarHBondContact O-CG1 3.37Å; D108-I140 PolarHBondContact O-N 3.37Å; L110-I140 HydrophobicContact CD1-CB 4.16Å; L110-I140 HydrophobicContact CD1-CD1 3.68Å; L110-I140 HydrophobicContact CD1-CG1 3.6Å; L110-I140 HydrophobicContact CD1-CG2 3.46Å; L110-I140 VanDerWaalsContact CD1-CG2 3.46Å; L115-I140 HydrophobicContact CD1-CD1 4.39Å; I140-C142 PolarHBondContact O-N 3.47Å
141D84.4Confident79.2Confident57 Ų5784.5 Ų84.531%0.30549%0.486SS..EExtended strand (participates in β ladder)trans-68.5121.8171.5-71.1-1.3000108.9L69 K105 E143L69-D141 VanDerWaalsContact CD1-OD1 3.26Å; L69-D141 WeakPolarHBondContact CD1-OD1 3.26Å; K105-D141 WeakPolarHBondContact CE-OD1 3.29Å; K105-D141 WeakPolarHBondContact CE-OD2 3.4Å; K105-D141 IonicContact NZ-OD1 2.91Å; K105-D141 PolarHBondContact NZ-OD1 2.91Å; K105-D141 IonicContact NZ-OD2 3.84Å; K105-D141 PolarHBondContact NZ-OD2 2.81Å; D141-E143 PolarHBondContact O-N 3.01Å
142C83.8Confident79.9Confident33 Ų3388.5 Ų88.522%0.22350%0.501CS..PPolyproline II helixtrans-69.7124.4174-170.90000108.7Q106 D108 I140Q106-C142 HydrophobicContact CB-CB 3.69Å; Q106-C142 WeakPolarHBondContact O-CB 3.24Å; Q106-C142 PolarHBondContact O-N 2.79Å; D108-C142 PolarHBondContact OD2-SG 2.82Å; I140-C142 PolarHBondContact O-N 3.47Å
143E77.8Confident80.6Confident142 Ų14285.7 Ų85.766%0.66450%0.498SS*.PPolyproline II helixtrans-89.5132.6172.3-65.4-151.4154.600110D141D141-E143 PolarHBondContact O-N 3.01Å
144P77.6Confident81.2Confident101 Ų10187.3 Ų87.366%0.65650%0.503SS*.PPolyproline II helixtrans-61.8144.3175.728-34.2000109.7
145A81.5Confident81.8Confident80 Ų8096.2 Ų96.266%0.66154%0.538SS*.PPolyproline II helixtrans-56.1138.8174.200000110D147A145-D147 PolarHBondContact O-N 2.84Å
146P82.8Confident82.3Confident126 Ų126101.4 Ų101.482%0.81857%0.566SS**PPolyproline II helixtrans-69.3120.1179.727.5-33.3000110
147D78.2Confident82.7Confident133 Ų133111 Ų11171%0.71160%0.599SS**PPolyproline II helixtrans-78.6137.9173-67.6-50000110.9A145 C149A145-D147 PolarHBondContact O-N 2.84Å; D147-C149 PolarHBondContact O-N 3.47Å; D147-C149 PolarHBondContact O-SG 2.83Å
148P83.4Confident82.6Confident131 Ų131115.4 Ų115.485%0.85163%0.625SS**  trans-68.8100.8173.728.4-32.9000109.7
149C73.1Confident82.7Confident99 Ų99119 Ų11967%0.66966%0.657SS**  trans-79.6-47.9-178.5-57.20000113D147D147-C149 PolarHBondContact O-N 3.47Å; D147-C149 PolarHBondContact O-SG 2.83Å
150F76.9Confident82.6Confident197 Ų197121.7 Ų121.786%0.86469%0.685SS**  trans-146.8149.2-172.5-61.5-79.7000111.2
151S80.8Confident82.3Confident110 Ų110124.6 Ų124.677%0.76971%0.705SS**  trans-120.3130.7168.9-178.30000108.5P153S151-P153 WeakPolarHBondContact O-CD 3.3Å
152L80Confident82.2Confident161 Ų161133.4 Ų133.484%0.84373%0.734SS**  trans-99.4108.1177.5-67.6173.9000108.5H154L152-H154 PolarHBondContact O-N 2.95Å
153P86.4Confident81.6Confident125 Ų125136.4 Ų136.481%0.81275%0.754SS**  trans-69.3130.8-179.727.7-33.2000110.4S151S151-P153 WeakPolarHBondContact O-CD 3.3Å
154H84.4Confident81.7Confident135 Ų135132.8 Ų132.863%0.62575%0.749SS**  trans-128.5144.5174.1-156.6-94.2000109.5L152 D156 V158L152-H154 PolarHBondContact O-N 2.95Å; H154-D156 VanDerWaalsContact C-N 3.29Å; H154-D156 PolarHBondContact ND1-N 3.39Å; H154-D156 PolarHBondContact ND1-O 3.29Å; H154-D156 PolarHBondContact O-N 3.33Å; H154-V158 HydrophobicContact CB-CG2 4.05Å
155K86.9Confident81Confident221 Ų221132.9 Ų132.996%0.96175%0.752SS**SBendtrans-76.6-18.1-176.5-69.1-174.9178.6-179.20113.7
156D91.8Very high79.9Confident120 Ų120136.2 Ų136.264%0.64276%0.758SS**SBendtrans-137.6170.1-176.3-161.3-0000109.4H154H154-D156 VanDerWaalsContact C-N 3.29Å; H154-D156 PolarHBondContact ND1-N 3.39Å; H154-D156 PolarHBondContact ND1-O 3.29Å; H154-D156 PolarHBondContact O-N 3.33Å
157W90.5Very high78.4Confident239 Ų239133.9 Ų133.991%0.90574%0.744SS**  trans-63.1137.3-179.5-65.8-5.7000112.4S159W157-S159 PolarHBondContact O-N 2.99Å
158V81Confident76.7Confident92 Ų92134.9 Ų134.956%0.55874%0.743SS**  trans-85.6112.5175.2-179.10000108.7H154 G160 V161H154-V158 HydrophobicContact CB-CG2 4.05Å; V158-G160 WeakPolarHBondContact CG1-O 3.4Å; V158-V161 HydrophobicContact CG1-CG2 3.99Å
159S86.9Confident74.5Confident136 Ų136134.3 Ų134.395%0.95174%0.739SS**  trans-84.3-11.1-177.257.80000114.4W157W157-S159 PolarHBondContact O-N 2.99Å
160G81.7Confident73.1Confident56 Ų56141.2 Ų141.258%0.57775%0.751SS**  trans-169.8150.117700000112.9V158V158-G160 WeakPolarHBondContact CG1-O 3.4Å
161V79.4Confident71.5Confident122 Ų122139.3 Ų139.374%0.73974%0.738SS**  trans-126.1136.3175.8-177.70000108V158V158-V161 HydrophobicContact CG1-CG2 3.99Å
162R80.9Confident69.5Low242 Ų242146.1 Ų146.191%0.91375%0.747SS**  trans-126.7128.7174.1-71.4-73.3-171.7176.5-1.5108.3
163C72.1Confident67.7Low97 Ų97142.7 Ų142.766%0.65574%0.741SS**  trans-91.8129.8168.7-57.80000108.4
164A79.1Confident65.4Low66 Ų66144 Ų14455%0.54574%0.738SS.*  trans-73.1130.7162.200000107.3D166 C167A164-D166 PolarHBondContact O-N 3.32Å; A164-C167 PolarHBondContact O-N 3.28Å; A164-C167 PolarHBondContact O-SG 3.45Å
165S63.6Low63.5Low103 Ų103142.3 Ų142.372%0.7274%0.738SS**THydrogen-bonded Turntrans-58.8-16.1-175.843.70000114.2
166D57.6Low61Low149 Ų149139 Ų13980%0.79773%0.726SS**THydrogen-bonded Turntrans-98.3-0.5-164.5-50.6-16.5000112.3A164A164-D166 PolarHBondContact O-N 3.32Å
167C51.8Low58.6Low77 Ų77136.7 Ų136.752%0.5272%0.724SS.*SBendtrans-98.8-3.9-175.166.70000116.1A164A164-C167 PolarHBondContact O-N 3.28Å; A164-C167 PolarHBondContact O-SG 3.45Å
168F42.9Very low56.4Low154 Ų154129.7 Ų129.768%0.67571%0.71SS**  trans-117.4104.8177.4-66.6-75.5000111.9R170F168-R170 PolarHBondContact O-N 3.09Å
169P37.5Very low54.7Low120 Ų120129.3 Ų129.378%0.77971%0.708SS**  trans-88.483171.333.2-28000109.1
170R43.7Very low52.7Low244 Ų244128.5 Ų128.592%0.92169%0.693SS**  trans-167132.3159.8-107.1161-160.6-118.35.5114.1F168F168-R170 PolarHBondContact O-N 3.09Å
171R42.8Very low50.9Low156 Ų156127.6 Ų127.659%0.58968%0.683SS**  trans73.3110.5178.4-66.3-162.6-138.9-143.97.5118.9A173R171-A173 VanDerWaalsContact C-N 3.33Å; R171-A173 PolarHBondContact O-N 3.31Å; R171-A173 VanDerWaalsContact O-N 3.12Å
172R39.1Very low49.6Very low254 Ų254130.9 Ų130.996%0.95868%0.682SS**THydrogen-bonded Turntrans-74.316.6-163-138178.9-122.1146.8-2.6116.9
173A40.9Very low48.4Very low88 Ų88127.3 Ų127.373%0.72767%0.669SS**THydrogen-bonded Turntrans-121.3-14.5-167.900000116.1R171R171-A173 VanDerWaalsContact C-N 3.33Å; R171-A173 PolarHBondContact O-N 3.31Å; R171-A173 VanDerWaalsContact O-N 3.12Å
174M38.8Very low47.4Very low152 Ų152128 Ų12875%0.74967%0.666SS**SBendtrans-94.8-14-171.9-147.7154.1176.600114.4E176M174-E176 PolarHBondContact O-N 2.87Å
175T43.8Very low46.3Very low100 Ų100130.8 Ų130.861%0.61367%0.671SS**Hα-helixtrans-73.2-25.1-176.3-220000113.4T179T175-T179 WeakPolarHBondContact O-CG2 3.45Å; T175-T179 PolarHBondContact O-N 3.06Å; T175-T179 PolarHBondContact O-OG1 3.36Å
176E35.6Very low46Very low152 Ų152131.2 Ų131.271%0.7167%0.665SS**Hα-helixtrans-78.6-31.8-179.4-65-173.5170.300112.6M174 T179 L180M174-E176 PolarHBondContact O-N 2.87Å; E176-T179 PolarHBondContact O-OG1 3.2Å; E176-L180 PolarHBondContact O-N 2.86Å
177A40.8Very low46.1Very low72 Ų72132.1 Ų132.160%0.59566%0.657SS**Hα-helixtrans-74.7-37.2177.600000112.9G181A177-G181 PolarHBondContact O-N 3.47Å
178C44.4Very low46.3Very low91 Ų91133.3 Ų133.362%0.61566%0.658SS**Hα-helixtrans-75.5-29178.9-73.40000113.4R182C178-R182 PolarHBondContact O-N 3.26Å
179T44.9Very low47.3Very low85 Ų85128.9 Ų128.952%0.52165%0.649SS.*Hα-helixtrans-75.4-37.9177.145.40000112T175 E176 R182 W183T175-T179 WeakPolarHBondContact O-CG2 3.45Å; T175-T179 PolarHBondContact O-N 3.06Å; T175-T179 PolarHBondContact O-OG1 3.36Å; E176-T179 PolarHBondContact O-OG1 3.2Å; T179-R182 PolarHBondContact O-N 3.22Å; T179-W183 PolarHBondContact O-N 2.64Å
180L45.6Very low48.3Very low119 Ų119127.3 Ų127.362%0.62364%0.641SS**Hα-helixtrans-63.4-41.5173.9-79.1167.6000112.6E176 R182 W183 L184E176-L180 PolarHBondContact O-N 2.86Å; L180-R182 VanDerWaalsContact C-N 3.34Å; L180-R182 PolarHBondContact O-N 3.2Å; L180-W183 PolarHBondContact O-N 2.97Å; L180-L184 PolarHBondContact O-N 3.1Å
181G44.7Very low48.9Very low37 Ų37119.6 Ų119.638%0.38163%0.625SS.*Hα-helixtrans-62.8-37.7176.200000113.4A177 L184 L185A177-G181 PolarHBondContact O-N 3.47Å; G181-L184 PolarHBondContact O-N 3.18Å; G181-L185 PolarHBondContact O-N 2.85Å; G181-L185 VanDerWaalsContact O-N 3.08Å
182R50.5Low49.6Very low190 Ų190121 Ų12172%0.71764%0.635SS**Hα-helixtrans-75.5-31178.9-152.8162.8-157.9-145.10.2112.9C178 T179 L180 N186C178-R182 PolarHBondContact O-N 3.26Å; T179-R182 PolarHBondContact O-N 3.22Å; L180-R182 VanDerWaalsContact C-N 3.34Å; L180-R182 PolarHBondContact O-N 3.2Å; R182-N186 WeakPolarHBondContact O-CB 3.46Å; R182-N186 PolarHBondContact O-N 3.23Å; R182-N186 VanDerWaalsContact O-N 3.14Å
183W56.2Low50.2Low168 Ų168116.4 Ų116.464%0.63663%0.629SS**Hα-helixtrans-67.9-40.8172.4-14288.6000111.4T179 L180 R187T179-W183 PolarHBondContact O-N 2.64Å; L180-W183 PolarHBondContact O-N 2.97Å; W183-R187 WeakPolarHBondContact O-CB 3.38Å; W183-R187 PolarHBondContact O-N 3.25Å
184L50.8Low50.8Low111 Ų111118 Ų11858%0.58163%0.629SS**Hα-helixtrans-69.3-40.6178.7-125.2132.8000112.7L180 G181 R187 L188L180-L184 PolarHBondContact O-N 3.1Å; G181-L184 PolarHBondContact O-N 3.18Å; L184-R187 PolarHBondContact O-N 3.44Å; L184-L188 HydrophobicContact CD2-CD1 3.98Å; L184-L188 WeakPolarHBondContact O-CB 3.38Å; L184-L188 WeakPolarHBondContact O-CG 3.31Å; L184-L188 PolarHBondContact O-N 3.32Å
185L56.5Low51.2Low125 Ų125121.9 Ų121.965%0.65464%0.636SS**Hα-helixtrans-66.6-41.1176-86.8160.6000112.6G181 L188 A189G181-L185 PolarHBondContact O-N 2.85Å; G181-L185 VanDerWaalsContact O-N 3.08Å; L185-L188 PolarHBondContact O-N 3.5Å; L185-A189 WeakPolarHBondContact O-CB 3.41Å; L185-A189 PolarHBondContact O-N 3.42Å
186N57.4Low51.6Low111 Ų111126.5 Ų126.559%0.59465%0.65SS**Hα-helixtrans-70.1-31.7176.8-77.6-17.4000112.5R182 S190R182-N186 WeakPolarHBondContact O-CB 3.46Å; R182-N186 PolarHBondContact O-N 3.23Å; R182-N186 VanDerWaalsContact O-N 3.14Å; N186-S190 WeakPolarHBondContact O-CB 3.46Å; N186-S190 PolarHBondContact O-N 3.43Å
187R58.9Low52.1Low168 Ų168131.3 Ų131.363%0.63468%0.68SS**Hα-helixtrans-72.2-36.5176.3-145.7179-147.1-146.35112.6W183 L184 S191W183-R187 WeakPolarHBondContact O-CB 3.38Å; W183-R187 PolarHBondContact O-N 3.25Å; L184-R187 PolarHBondContact O-N 3.44Å; R187-S191 PolarHBondContact O-N 2.97Å
188L56.6Low52.7Low103 Ų103134.3 Ų134.354%0.53968%0.684SS.*Hα-helixtrans-76.3-30.7175.8-71.8171.6000113.1L184 L185 S191L184-L188 HydrophobicContact CD2-CD1 3.98Å; L184-L188 WeakPolarHBondContact O-CB 3.38Å; L184-L188 WeakPolarHBondContact O-CG 3.31Å; L184-L188 PolarHBondContact O-N 3.32Å; L185-L188 PolarHBondContact O-N 3.5Å; L188-S191 PolarHBondContact O-OG 3.49Å
189A62.7Low53.1Low60 Ų60136.6 Ų136.650%0.49669%0.688SS.*Hα-helixtrans-68.7-3517300000112L185L185-A189 WeakPolarHBondContact O-CB 3.41Å; L185-A189 PolarHBondContact O-N 3.42Å
190S59.2Low53.6Low88 Ų88139.4 Ų139.462%0.61570%0.697SS**Hα-helixtrans-76-26.9179.2-160.30000113.2N186 K192N186-S190 WeakPolarHBondContact O-CB 3.46Å; N186-S190 PolarHBondContact O-N 3.43Å; S190-K192 PolarHBondContact O-N 2.88Å
191S56.7Low54Low81 Ų81140.6 Ų140.657%0.56670%0.701SS**THydrogen-bonded Turntrans-81.3-9.1-178.8760000115.3R187 L188R187-S191 PolarHBondContact O-N 2.97Å; L188-S191 PolarHBondContact O-OG 3.49Å
192K57.4Low54.6Low187 Ų187147.1 Ų147.181%0.81372%0.721SS**THydrogen-bonded Turntrans-98.5-1.1179.8-82.3-169.6176.1-177.60115S190S190-K192 PolarHBondContact O-N 2.88Å
193L51.9Low54.9Low156 Ų156144.3 Ų144.382%0.81772%0.721SS**SBendtrans-100.315.6-178.2-107146.8000114.7
194T52.7Low54.8Low121 Ų121142.6 Ų142.674%0.74273%0.728SS**SBendtrans-118.519.4-177.7-24.30000114.1
195R48.6Very low55.1Low234 Ų234145 Ų14588%0.88374%0.739SS**SBendtrans-131.285.9169.9-78.6-174.6178.2-178.5-0.5108.6
196Q51.3Low55Low198 Ų198146.7 Ų146.793%0.92575%0.746SS**  trans169.383.7147.2-75.5-123.1-35.300106.6
197L46.4Very low54.8Low253 Ų253149.9 Ų149.9100%1.32576%0.76SS**  trans-94.50141.7-87.4168.5000106.4

Retrieved 197 of 197 residues in 167.8 ms (Link to these results)