A0A087X1Y7_HUMAN Loading...

Family with sequence similarity 72 member B

AlphaFold DB , UniProt , Accession A0A087X1Y7, Species HUMAN (Homo sapiens, Human), Gene FAM72B, Length 149 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M37.8Very low36Very low234 Ų234151.2 Ų151.2100%1.15383%0.829SS**  0119.70-66.1-162.3169.500108.4
2P39.8Very low35.6Very low122 Ų122146.3 Ų146.379%0.79282%0.823SS**  trans-96.9118.3170.829.8-17.8000109.8T4P2-T4 PolarHBondContact O-N 3.32Å
3T38.3Very low35.4Very low130 Ų130142.2 Ų142.280%0.79882%0.819SS**  trans-76103.8167.4-60.30000108T5T3-T5 PolarHBondContact O-N 3.06Å
4T34.6Very low35.1Very low126 Ų126148.8 Ų148.877%0.77382%0.824SS**  trans-86.1100.5170.8-64.20000108.9P2 A6P2-T4 PolarHBondContact O-N 3.32Å; T4-A6 PolarHBondContact O-N 2.9Å
5T36.8Very low34.9Very low121 Ų121147.7 Ų147.774%0.74282%0.822SS**  trans-66.1113.9169.6-52.60000109.3T3T3-T5 PolarHBondContact O-N 3.06Å
6A32.4Very low34.5Very low88 Ų88151.9 Ų151.973%0.72782%0.822SS**  trans-66.1134175.300000110.8T4 R8T4-A6 PolarHBondContact O-N 2.9Å; A6-R8 PolarHBondContact O-N 3.08Å
7L36.9Very low34.6Very low163 Ų163156.9 Ų156.985%0.85383%0.826SS**  trans-65120.1-179.8-140.488.9000110.2W9L7-W9 PolarHBondContact O-N 3.2Å
8R31.7Very low34.4Very low212 Ų212158.7 Ų158.780%0.883%0.826SS**  trans-72112.7-179-155.9-179.6173.3-169.8-1.1109A6 T10A6-R8 PolarHBondContact O-N 3.08Å; R8-T10 HydrophobicContact CG-CG2 4.19Å; R8-T10 PolarHBondContact O-N 3.09Å
9W34.3Very low34.1Very low256 Ų256154.1 Ų154.197%0.9782%0.821SS**  trans-68.696.9169.5-69.877.9000108.3L7L7-W9 PolarHBondContact O-N 3.2Å
10T38.5Very low34.2Very low111 Ų111159.5 Ų159.568%0.68183%0.829SS**  trans-116.192.1169.342.80000108.5R8R8-T10 HydrophobicContact CG-CG2 4.19Å; R8-T10 PolarHBondContact O-N 3.09Å
11A34.7Very low34.1Very low100 Ų100155.6 Ų155.683%0.82683%0.829SS**  trans-13284.2154.900000106.9A13A11-A13 PolarHBondContact O-N 2.95Å
12A31.4Very low33.5Very low92 Ų92147.8 Ų147.876%0.7681%0.808SS**  trans-66.5111.9165.900000107.5R14A12-R14 VanDerWaalsContact C-N 3.33Å; A12-R14 PolarHBondContact O-N 3.25Å
13A33.6Very low33Very low94 Ų94154.9 Ų154.978%0.77782%0.819SS**  trans-64.197.9166.700000107.9A11 V15A11-A13 PolarHBondContact O-N 2.95Å; A13-V15 PolarHBondContact O-N 3.35Å; A13-V15 VanDerWaalsContact O-N 3.08Å
14R30.6Very low32.5Very low234 Ų234155.1 Ų155.188%0.88382%0.82SS**  trans-66.2107.1171.6-73.7-175.6-175.9-173.41.6108.2A12 R16A12-R14 VanDerWaalsContact C-N 3.33Å; A12-R14 PolarHBondContact O-N 3.25Å; R14-R16 PolarHBondContact O-N 3.39Å
15V32.4Very low32.4Very low132 Ų132156.8 Ų156.880%0.882%0.823SS**  trans-71.397.7165.6177.50000107.8A13A13-V15 PolarHBondContact O-N 3.35Å; A13-V15 VanDerWaalsContact O-N 3.08Å
16R28Very low32Very low215 Ų215155.6 Ų155.681%0.81183%0.826SS**  trans-88.6107.1169.2-168.8174.4171.7-173.2-1.5108R14 K18R14-R16 PolarHBondContact O-N 3.39Å; R16-K18 PolarHBondContact O-N 3.29Å
17R37.3Very low31.8Very low238 Ų238155.5 Ų155.590%0.89883%0.825SS**  trans-66.2119.6167.8-66.6-173.8-141.2163.75.7108.9
18K30Very low31.7Very low188 Ų188155.7 Ų155.782%0.81783%0.826SS**  trans-136.5133.5155.6-142.3-179.3-177.4-172.20107.5R16R16-K18 PolarHBondContact O-N 3.29Å
19G29.1Very low31.4Very low72 Ų72156.5 Ų156.574%0.74283%0.829SS**  trans-72.4168.5-15800000116.5
20R36.9Very low31.3Very low261 Ų261150 Ų15099%0.98582%0.823SS**  trans54.5107.2163.6-65.1-176.6-171-1160.8116.1
21G30.3Very low31Very low79 Ų79151 Ų15181%0.81483%0.828SS**  trans137.1109.4154.500000114.3
22G25.7Very low30.9Very low70 Ų70150.9 Ų150.972%0.72282%0.822SS**  trans65.9115.4149.600000118.5V24G22-V24 PolarHBondContact O-N 3.19Å; G22-V24 VanDerWaalsContact O-N 3.09Å
23W30.1Very low31.4Very low271 Ų271155.1 Ų155.1100%1.02783%0.826SS**  trans-67.5103.3159-60.592.9000108.4
24V27.7Very low31.2Very low134 Ų134157.7 Ų157.781%0.81283%0.826SS**  trans-92.2115.2169179.80000107.8G22 A26G22-V24 PolarHBondContact O-N 3.19Å; G22-V24 VanDerWaalsContact O-N 3.09Å; V24-A26 PolarHBondContact O-N 3.27Å
25L32.6Very low31.5Very low161 Ų161150.1 Ų150.184%0.84382%0.821SS**  trans-56.4114.6170-159.277.7000108.2A27L25-A27 VanDerWaalsContact C-N 3.35Å; L25-A27 PolarHBondContact O-N 3Å
26A28.6Very low31.6Very low96 Ų96150.3 Ų150.379%0.79382%0.822SS**  trans-68.999.3170.600000107.5V24 L28V24-A26 PolarHBondContact O-N 3.27Å; A26-L28 PolarHBondContact O-N 2.87Å
27A27.5Very low32.1Very low87 Ų87146.2 Ų146.272%0.71982%0.824SS**  trans-52.7112.9175.600000109.5L25 R29L25-A27 VanDerWaalsContact C-N 3.35Å; L25-A27 PolarHBondContact O-N 3Å; A27-R29 PolarHBondContact O-N 3.33Å; A27-R29 VanDerWaalsContact O-N 3.12Å
28L34.3Very low32.1Very low166 Ų166138.2 Ų138.287%0.86982%0.816SS**  trans-59.6113.7165.7-145.889000106A26 S30A26-L28 PolarHBondContact O-N 2.87Å; L28-S30 PolarHBondContact O-N 3.38Å
29R27Very low32.6Very low230 Ų230134.7 Ų134.787%0.86881%0.813SS**  trans-61.7105.8170-80.7-174172-154.9-1.9107.3A27 V31A27-R29 PolarHBondContact O-N 3.33Å; A27-R29 VanDerWaalsContact O-N 3.12Å; R29-V31 PolarHBondContact O-N 3.49Å
30S31.7Very low32.9Very low119 Ų119137.3 Ų137.383%0.83282%0.815SS**  trans-59.9104.1164.730.90000108.1L28L28-S30 PolarHBondContact O-N 3.38Å
31V31.8Very low33.3Very low131 Ų131129.2 Ų129.279%0.79479%0.794SS**  trans-83.6123.8166177.50000107.1R29R29-V31 PolarHBondContact O-N 3.49Å
32S32.1Very low33.5Very low99 Ų99133.9 Ų133.969%0.69280%0.797SS**  trans-44.7137.3-177.4-168.60000113D34S32-D34 PolarHBondContact O-N 2.83Å
33Q42.9Very low34Very low180 Ų180133.3 Ų133.384%0.84179%0.791SS**  trans-79.498.2174.6-66.2178.6-1600109.1
34D29.9Very low34.5Very low148 Ų148123.3 Ų123.379%0.79177%0.773SS**  trans-95.5114.8155-72.2-37.8000108.1S32S32-D34 PolarHBondContact O-N 2.83Å
35G36.2Very low35.4Very low75 Ų75124 Ų12477%0.77377%0.767SS**  trans-66.8131-171.400000112.8
36V34.6Very low36.3Very low136 Ų136119.9 Ų119.982%0.82475%0.749SS**  trans-109.5116.6158.1-179.60000106.6
37P38.4Very low37.5Very low129 Ų129123 Ų12384%0.83874%0.74SS**SBendtrans-74.3132.3-179.526.7-25.9000109.5
38G36.8Very low38.9Very low71 Ų71119.4 Ų119.473%0.73271%0.709SS**  trans12539.2168.300000116.9
39C40.3Very low39.9Very low114 Ų114115.5 Ų115.577%0.7769%0.694SS**  trans-126.749165.3-73.60000111.2V41C39-V41 VanDerWaalsContact C-N 3.29Å; C39-V41 PolarHBondContact O-N 2.97Å
40T36.6Very low41.7Very low127 Ų127113.2 Ų113.278%0.77969%0.693SS**  trans-69.797.1156.4-55.20000106.4M42T40-M42 PolarHBondContact O-N 3.13Å; T40-M42 VanDerWaalsContact O-N 3.16Å
41V44.6Very low43.8Very low90 Ų90112.6 Ų112.655%0.54568%0.681SS.*  trans-68.9107.8165.1178.60000104.8C39 G43C39-V41 VanDerWaalsContact C-N 3.29Å; C39-V41 PolarHBondContact O-N 2.97Å; V41-G43 PolarHBondContact O-N 3.49Å
42M33.5Very low46.6Very low177 Ų177108.5 Ų108.587%0.87266%0.661SS**  trans-63.491160.1-70.8-62.4-139.300105.6T40 G44T40-M42 PolarHBondContact O-N 3.13Å; T40-M42 VanDerWaalsContact O-N 3.16Å; M42-G44 VanDerWaalsContact C-N 3.29Å; M42-G44 PolarHBondContact O-N 2.89Å
43G37.8Very low49.5Very low58 Ų58104.5 Ų104.560%0.59863%0.632SS**  trans-69.591.3176.800000107.9V41 E45V41-G43 PolarHBondContact O-N 3.49Å; G43-E45 PolarHBondContact O-N 3.23Å
44G40.3Very low51.9Low62 Ų62100 Ų10064%0.63961%0.614SS**  trans-54.9122.5147.500000105.6M42 T46M42-G44 VanDerWaalsContact C-N 3.29Å; M42-G44 PolarHBondContact O-N 2.89Å; G44-T46 PolarHBondContact O-N 3.49Å
45E46.6Very low54.9Low148 Ų14896 Ų9669%0.69259%0.589SS**  trans-65.874.9-176.7-74.2-176.4117.500110.3G43 R47G43-E45 PolarHBondContact O-N 3.23Å; E45-R47 HydrophobicContact CB-CG 4.25Å; E45-R47 PolarHBondContact O-N 3.29Å; E45-R47 IonicContact OE1-CZ 3.39Å; E45-R47 IonicContact OE1-NE 3.18Å; E45-R47 PolarHBondContact OE1-NE 2.95Å; E45-R47 IonicContact OE1-NH2 2.73Å; E45-R47 PolarHBondContact OE1-NH2 2.54Å
46T50.6Low57.7Low75 Ų7595.1 Ų95.146%0.4657%0.569SS.*  trans-75.171.4159.6-37.20000106.2G44 S48 W102G44-T46 PolarHBondContact O-N 3.49Å; T46-S48 PolarHBondContact O-N 3.3Å; T46-W102 HydrophobicContact CG2-CZ2 4.29Å; T46-W102 WeakPolarHBondContact O-CZ2 3.39Å
47R54.2Low60.5Low161 Ų16191.5 Ų91.561%0.60856%0.559SS**PPolyproline II helixtrans-59.3130.4173.8-69.9-177.3-178.3-157.82.1107.1E45E45-R47 HydrophobicContact CB-CG 4.25Å; E45-R47 PolarHBondContact O-N 3.29Å; E45-R47 IonicContact OE1-CZ 3.39Å; E45-R47 IonicContact OE1-NE 3.18Å; E45-R47 PolarHBondContact OE1-NE 2.95Å; E45-R47 IonicContact OE1-NH2 2.73Å; E45-R47 PolarHBondContact OE1-NH2 2.54Å
48S56.6Low63.1Low11 Ų1195.5 Ų95.58%0.07756%0.557CS.*PPolyproline II helixtrans-51.6141.3167.9170.60000108.4T46 E50 N51 V53T46-S48 PolarHBondContact O-N 3.3Å; S48-E50 PolarHBondContact O-N 3.34Å; S48-N51 PolarHBondContact O-N 3.12Å; S48-V53 WeakPolarHBondContact CB-O 3.49Å; S48-V53 WeakPolarHBondContact OG-CG2 3.49Å
49P54.8Low65.9Low84 Ų8494.1 Ų94.155%0.54554%0.536SS..G310 helixtrans-49.6125.9165.821-29.5000107.7N51P49-N51 PolarHBondContact O-N 2.93Å
50E65.6Low68.6Low182 Ų18292.8 Ų92.885%0.8552%0.515SS*.G310 helixtrans73.89.2170.6-46.4175.1-155.100118.2S48 A52S48-E50 PolarHBondContact O-N 3.34Å; E50-A52 PolarHBondContact O-N 3.04Å; E50-A52 VanDerWaalsContact O-N 3.14Å
51N76.7Confident71.3Confident107 Ų10793.2 Ų93.257%0.57251%0.506SS*.G310 helixtrans52.232.7-176.4-57.9-44.4000113.2S48 P49 L75S48-N51 PolarHBondContact O-N 3.12Å; P49-N51 PolarHBondContact O-N 2.93Å; N51-L75 VanDerWaalsContact O-CD1 3.26Å; N51-L75 WeakPolarHBondContact O-CD1 3.34Å
52A89Confident73.6Confident45 Ų4590.5 Ų90.537%0.37249%0.49SS..  trans-88.5-24.9-178.100000113.1E50 L75E50-A52 PolarHBondContact O-N 3.04Å; E50-A52 VanDerWaalsContact O-N 3.14Å; A52-L75 PolarHBondContact O-N 3.14Å
53V92.8Very high76.4Confident15 Ų1592 Ų929%0.09149%0.492CS..EExtended strand (participates in β ladder)trans-133.9155.1-179.7-59.30000110.2S48 I72 A73 V81 W102 F104S48-V53 WeakPolarHBondContact CB-O 3.49Å; S48-V53 WeakPolarHBondContact OG-CG2 3.49Å; V53-I72 HydrophobicContact CG2-CD1 4.31Å; V53-A73 WeakPolarHBondContact CA-O 3.21Å; V53-A73 WeakPolarHBondContact CB-O 3.32Å; V53-V81 HydrophobicContact CB-CG2 4.5Å; V53-V81 HydrophobicContact CG1-CG2 3.66Å; V53-W102 HydrophobicContact CG2-CE3 4.33Å; V53-W102 HydrophobicContact CG2-CZ3 3.81Å; V53-F104 HydrophobicContact CG1-CE1 4.3Å; V53-F104 HydrophobicContact CG2-CE1 4.48Å
54D93.6Very high78.8Confident86 Ų8697.4 Ų97.446%0.4651%0.505SS..EExtended strand (participates in β ladder)trans-142.4163.7173.7-163.53.1000110.5I72 A73 L75D54-I72 CarbonylContact O-C 3.47Å; D54-I72 VanDerWaalsContact O-CA 3.31Å; D54-I72 WeakPolarHBondContact O-CA 3.41Å; D54-A73 PolarHBondContact N-O 3.03Å; D54-A73 PolarHBondContact O-N 3.43Å; D54-L75 HydrophobicContact CB-CD1 4.22Å; D54-L75 HydrophobicContact CB-CD2 3.77Å; D54-L75 HydrophobicContact CB-CG 4.11Å
55F94.4Very high81.1Confident63 Ų6396.1 Ų96.128%0.27649%0.486SS..EExtended strand (participates in β ladder)trans-63.5140.1176.8-62.7-67.9000111.9K70 D71 I72 H84 I86 W102F55-K70 HydrophobicContact CB-CD 3.83Å; F55-K70 HydrophobicContact CB-CG 4.4Å; F55-K70 HydrophobicContact CD1-CB 4.18Å; F55-K70 HydrophobicContact CD1-CD 3.71Å; F55-K70 HydrophobicContact CD1-CG 4.04Å; F55-K70 HydrophobicContact CG-CD 3.9Å; F55-D71 WeakPolarHBondContact CA-O 3.31Å; F55-I72 HydrophobicContact CD1-CG2 3.93Å; F55-I72 HydrophobicContact CE1-CG2 4.24Å; F55-H84 HydrophobicContact CD1-CB 4.4Å; F55-H84 HydrophobicContact CE1-CB 3.57Å; F55-H84 AromaticContact CE1-CG 3.8Å; F55-H84 AromaticContact CE1-ND1 3.94Å; F55-H84 HydrophobicContact CZ-CB 4.44Å; F55-I86 HydrophobicContact CE1-CD1 4.25Å; F55-W102 HydrophobicContact CE1-CH2 4.16Å; F55-W102 HydrophobicContact CE1-CZ2 4.38Å; F55-W102 HydrophobicContact CE2-CH2 4.42Å; F55-W102 AromaticContact CZ-CH2 3.95Å; F55-W102 HydrophobicContact CZ-CH2 3.95Å; F55-W102 AromaticContact CZ-CZ2 3.93Å; F55-W102 HydrophobicContact CZ-CZ2 3.93Å
56T94.6Very high83.2Confident57 Ų5797 Ų9735%0.3549%0.488SS..EExtended strand (participates in β ladder)trans-131.8153.2173.5-171.50000111.1D71 A73 I80T56-D71 HydrophobicContact CG2-CB 3.78Å; T56-D71 PolarHBondContact N-O 2.97Å; T56-A73 HydrophobicContact CG2-CB 3.78Å; T56-I80 HydrophobicContact CG2-CG1 4.18Å
57G93.3Very high85.2Confident59 Ų5993.8 Ų93.861%0.60847%0.468SS*.EExtended strand (participates in β ladder)trans64.8-160.817700000115K70G57-K70 WeakPolarHBondContact O-CE 3.34Å
58R93.6Very high87.1Confident214 Ų21489 Ų8981%0.80845%0.451SS*.EExtended strand (participates in β ladder)trans-98.6155.2-178.9-63.6-175.8-175.3-172.31.4110.4
59C95.5Very high88.9Confident41 Ų4189 Ų8928%0.27745%0.451SS..EExtended strand (participates in β ladder)trans-65.8146.8169.7-54.10000110.7K68 L69C59-K68 HydrophobicContact CB-CD 4.35Å; C59-K68 VanDerWaalsContact CB-CE 3.43Å; C59-K68 HydrophobicContact CB-CG 4.06Å; C59-L69 CarbonylContact C-O 3.53Å; C59-L69 WeakPolarHBondContact CA-O 3.43Å; C59-L69 WeakPolarHBondContact CB-O 3.21Å
60Y95.6Very high90.9Very high86 Ų8686.9 Ų86.934%0.33743%0.433SS..EExtended strand (participates in β ladder)trans-140.6164.8176.759.3-90.3000110.8K68 L69 D71Y60-K68 CarbonylContact O-C 3.53Å; Y60-K68 WeakPolarHBondContact O-CA 3.22Å; Y60-L69 HydrophobicContact CD2-CB 4.35Å; Y60-L69 HydrophobicContact CE1-CB 4.39Å; Y60-L69 HydrophobicContact CE2-CB 3.87Å; Y60-L69 HydrophobicContact CE2-CD1 3.97Å; Y60-L69 HydrophobicContact CE2-CG 4.34Å; Y60-L69 PolarHBondContact N-O 3.22Å; Y60-L69 PolarHBondContact O-N 2.82Å; Y60-D71 WeakPolarHBondContact CE1-OD1 3.45Å; Y60-D71 VanDerWaalsContact CZ-OD1 3.31Å; Y60-D71 PolarHBondContact OH-OD1 3.22Å
61F94.3Very high92.4Very high136 Ų13679.9 Ų79.960%0.59640%0.401SS*.EExtended strand (participates in β ladder)trans-106.1139.7179.2-67.9-86.4000111.1K66 C67 K68F61-K66 WeakPolarHBondContact CD1-O 3.43Å; F61-C67 CarbonylContact C-O 3.53Å; F61-C67 VanDerWaalsContact CA-O 3.28Å; F61-C67 WeakPolarHBondContact CA-O 3.3Å; F61-K68 HydrophobicContact CD1-CB 3.96Å; F61-K68 HydrophobicContact CD1-CG 4.42Å; F61-K68 HydrophobicContact CE1-CB 3.62Å; F61-K68 HydrophobicContact CE1-CD 4.29Å; F61-K68 HydrophobicContact CE1-CG 3.96Å; F61-K68 HydrophobicContact CZ-CB 4.21Å; F61-K68 HydrophobicContact CZ-CD 4.07Å; F61-K68 HydrophobicContact CZ-CG 4.05Å
62T92.7Very high93.3Very high33 Ų3374.8 Ų74.820%0.20237%0.374CS..  trans-69.8141.4171.868.30000110.3I64 C65 K66 C67 L69T62-I64 VanDerWaalsContact C-N 3.28Å; T62-I64 PolarHBondContact O-N 3.45Å; T62-C65 PolarHBondContact OG1-N 3.36Å; T62-C65 PolarHBondContact OG1-SG 2.96Å; T62-K66 VanDerWaalsContact O-CA 3.26Å; T62-K66 WeakPolarHBondContact O-CA 3.29Å; T62-K66 PolarHBondContact O-N 2.84Å; T62-K66 VanDerWaalsContact O-N 3.09Å; T62-K66 PolarHBondContact OG1-N 3.16Å; T62-C67 HydrophobicContact CG2-CB 4.27Å; T62-C67 PolarHBondContact N-O 2.96Å; T62-C67 PolarHBondContact OG1-N 3Å; T62-C67 VanDerWaalsContact OG1-N 3.16Å; T62-L69 HydrophobicContact CG2-CD1 3.34Å; T62-L69 HydrophobicContact CG2-CD2 4.42Å; T62-L69 HydrophobicContact CG2-CG 3.75Å
63K91.3Very high93.6Very high210 Ų21073.3 Ų73.391%0.91336%0.362SS*.THydrogen-bonded Turntrans-71.3-25.2177.7-64.3-177.4-179.41790113
64I89Confident93.6Very high170 Ų17073.8 Ų73.887%0.87237%0.366SS*.THydrogen-bonded Turntrans-87.9-52.1-171.6-58.2170.5000110.9T62T62-I64 VanDerWaalsContact C-N 3.28Å; T62-I64 PolarHBondContact O-N 3.45Å
65C88.4Confident93.6Very high36 Ų3674.8 Ų74.824%0.24337%0.37CS..THydrogen-bonded Turntrans-116.41.5-17458.80000113.9T62 C67 C89T62-C65 PolarHBondContact OG1-N 3.36Å; T62-C65 PolarHBondContact OG1-SG 2.96Å; C65-C67 PolarHBondContact O-N 3.26Å; C65-C67 VanDerWaalsContact O-N 3.13Å; C65-C67 PolarHBondContact SG-SG 3.18Å; C65-C89 WeakPolarHBondContact O-CB 3.39Å; C65-C89 PolarHBondContact O-SG 3.04Å
66K91.3Very high93.5Very high167 Ų16781.3 Ų81.373%0.72640%0.398SS*.  trans5722.7-179-53.3178.3-179.7176.10114.1F61 T62F61-K66 WeakPolarHBondContact CD1-O 3.43Å; T62-K66 VanDerWaalsContact O-CA 3.26Å; T62-K66 WeakPolarHBondContact O-CA 3.29Å; T62-K66 PolarHBondContact O-N 2.84Å; T62-K66 VanDerWaalsContact O-N 3.09Å; T62-K66 PolarHBondContact OG1-N 3.16Å
67C91.9Very high93.4Very high7 Ų782.2 Ų82.25%0.04741%0.407CS..  trans-66.1140.6170.1-680000109.6F61 T62 C65 L69 V87 C89F61-C67 CarbonylContact C-O 3.53Å; F61-C67 VanDerWaalsContact CA-O 3.28Å; F61-C67 WeakPolarHBondContact CA-O 3.3Å; T62-C67 HydrophobicContact CG2-CB 4.27Å; T62-C67 PolarHBondContact N-O 2.96Å; T62-C67 PolarHBondContact OG1-N 3Å; T62-C67 VanDerWaalsContact OG1-N 3.16Å; C65-C67 PolarHBondContact O-N 3.26Å; C65-C67 VanDerWaalsContact O-N 3.13Å; C65-C67 PolarHBondContact SG-SG 3.18Å; C67-L69 HydrophobicContact CB-CD2 4.01Å; C67-V87 WeakPolarHBondContact CA-O 3.23Å; C67-C89 PolarHBondContact SG-N 2.93Å; C67-C89 VanDerWaalsContact SG-N 3.36Å; C67-C89 VanDerWaalsContact SG-SG 3.63Å
68K94.3Very high93.4Very high59 Ų5982.1 Ų82.126%0.25741%0.405SS..EExtended strand (participates in β ladder)trans-86.4118.6171.6-168.2179.8-179.1-179.60108.8C59 Y60 F61 I86 V87C59-K68 HydrophobicContact CB-CD 4.35Å; C59-K68 VanDerWaalsContact CB-CE 3.43Å; C59-K68 HydrophobicContact CB-CG 4.06Å; Y60-K68 CarbonylContact O-C 3.53Å; Y60-K68 WeakPolarHBondContact O-CA 3.22Å; F61-K68 HydrophobicContact CD1-CB 3.96Å; F61-K68 HydrophobicContact CD1-CG 4.42Å; F61-K68 HydrophobicContact CE1-CB 3.62Å; F61-K68 HydrophobicContact CE1-CD 4.29Å; F61-K68 HydrophobicContact CE1-CG 3.96Å; F61-K68 HydrophobicContact CZ-CB 4.21Å; F61-K68 HydrophobicContact CZ-CD 4.07Å; F61-K68 HydrophobicContact CZ-CG 4.05Å; K68-I86 HydrophobicContact CD-CB 4.49Å; K68-I86 HydrophobicContact CD-CG2 4.33Å; K68-I86 HydrophobicContact CG-CB 4.35Å; K68-I86 PolarHBondContact O-N 2.6Å; K68-V87 HydrophobicContact CB-CB 3.83Å; K68-V87 HydrophobicContact CB-CG2 4.18Å; K68-V87 HydrophobicContact CD-CG2 4.13Å; K68-V87 PolarHBondContact N-O 3.06Å; K68-V87 PolarHBondContact O-N 2.82Å; K68-V87 VanDerWaalsContact O-N 3.09Å
69L95.1Very high93.5Very high11 Ų1177 Ų776%0.05839%0.394CS..EExtended strand (participates in β ladder)trans-114.9161.4-179.3-51.3-173.3000110.7C59 Y60 T62 C67 Y83 H84 V85C59-L69 CarbonylContact C-O 3.53Å; C59-L69 WeakPolarHBondContact CA-O 3.43Å; C59-L69 WeakPolarHBondContact CB-O 3.21Å; Y60-L69 HydrophobicContact CD2-CB 4.35Å; Y60-L69 HydrophobicContact CE1-CB 4.39Å; Y60-L69 HydrophobicContact CE2-CB 3.87Å; Y60-L69 HydrophobicContact CE2-CD1 3.97Å; Y60-L69 HydrophobicContact CE2-CG 4.34Å; Y60-L69 PolarHBondContact N-O 3.22Å; Y60-L69 PolarHBondContact O-N 2.82Å; T62-L69 HydrophobicContact CG2-CD1 3.34Å; T62-L69 HydrophobicContact CG2-CD2 4.42Å; T62-L69 HydrophobicContact CG2-CG 3.75Å; C67-L69 HydrophobicContact CB-CD2 4.01Å; L69-Y83 HydrophobicContact CD1-CD2 3.82Å; L69-Y83 HydrophobicContact CD1-CE2 4.07Å; L69-Y83 HydrophobicContact CD1-CG 4.18Å; L69-Y83 HydrophobicContact CD2-CD2 4.08Å; L69-Y83 HydrophobicContact CD2-CE2 4.35Å; L69-Y83 HydrophobicContact CG-CD2 4.39Å; L69-H84 CarbonylContact C-O 3.54Å; L69-H84 VanDerWaalsContact CA-O 3.27Å; L69-H84 WeakPolarHBondContact CA-O 3.08Å; L69-V85 HydrophobicContact CD2-CB 4.01Å; L69-V85 HydrophobicContact CD2-CG1 4.08Å; L69-V85 HydrophobicContact CD2-CG2 3.68Å
70K96.1Very high93.5Very high41 Ų4179.1 Ų79.118%0.17840%0.402CS..EExtended strand (participates in β ladder)trans-139.1134.4167.2-166.4175.3-175-165.40108.9F55 G57 Y83 H84 I86F55-K70 HydrophobicContact CB-CD 3.83Å; F55-K70 HydrophobicContact CB-CG 4.4Å; F55-K70 HydrophobicContact CD1-CB 4.18Å; F55-K70 HydrophobicContact CD1-CD 3.71Å; F55-K70 HydrophobicContact CD1-CG 4.04Å; F55-K70 HydrophobicContact CG-CD 3.9Å; G57-K70 WeakPolarHBondContact O-CE 3.34Å; K70-Y83 CarbonylContact O-C 3.57Å; K70-Y83 WeakPolarHBondContact O-CA 3.49Å; K70-H84 PolarHBondContact N-O 3.16Å; K70-H84 PolarHBondContact O-N 2.87Å; K70-I86 HydrophobicContact CB-CD1 3.95Å; K70-I86 HydrophobicContact CB-CG1 3.8Å; K70-I86 HydrophobicContact CD-CD1 4.49Å
71D96.3Very high93.6Very high35 Ų3575.5 Ų75.519%0.18739%0.389CS..EExtended strand (participates in β ladder)trans-69.1151.3-179.9-66.9-28.2000111F55 T56 Y60 I80F55-D71 WeakPolarHBondContact CA-O 3.31Å; T56-D71 HydrophobicContact CG2-CB 3.78Å; T56-D71 PolarHBondContact N-O 2.97Å; Y60-D71 WeakPolarHBondContact CE1-OD1 3.45Å; Y60-D71 VanDerWaalsContact CZ-OD1 3.31Å; Y60-D71 PolarHBondContact OH-OD1 3.22Å; D71-I80 HydrophobicContact CB-CD1 4.41Å; D71-I80 HydrophobicContact CB-CG2 4.24Å
72I95.5Very high93.6Very high0 Ų069 Ų690%036%0.36CS..EExtended strand (participates in β ladder)trans-12113717459.7171.1000109.5V53 D54 F55 I80 V81 G82 H84 W102 F104V53-I72 HydrophobicContact CG2-CD1 4.31Å; D54-I72 CarbonylContact O-C 3.47Å; D54-I72 VanDerWaalsContact O-CA 3.31Å; D54-I72 WeakPolarHBondContact O-CA 3.41Å; F55-I72 HydrophobicContact CD1-CG2 3.93Å; F55-I72 HydrophobicContact CE1-CG2 4.24Å; I72-I80 WeakPolarHBondContact O-CA 3.48Å; I72-V81 HydrophobicContact CD1-CG2 4.38Å; I72-V81 HydrophobicContact CG1-CG2 4.2Å; I72-V81 PolarHBondContact O-N 3.43Å; I72-G82 WeakPolarHBondContact CG1-O 3.41Å; I72-G82 PolarHBondContact N-O 3Å; I72-H84 HydrophobicContact CG2-CB 4.28Å; I72-W102 HydrophobicContact CB-CZ3 4.25Å; I72-W102 HydrophobicContact CD1-CE3 3.69Å; I72-W102 HydrophobicContact CD1-CZ3 4.01Å; I72-W102 HydrophobicContact CG2-CE3 4.07Å; I72-W102 HydrophobicContact CG2-CH2 4.24Å; I72-W102 HydrophobicContact CG2-CZ3 3.55Å; I72-F104 HydrophobicContact CD1-CD1 4.07Å; I72-F104 HydrophobicContact CD1-CE1 3.68Å; I72-F104 HydrophobicContact CD1-CZ 4.28Å
73A95.7Very high93.7Very high13 Ų1370.5 Ų70.511%0.10736%0.362CS..EExtended strand (participates in β ladder)trans-119.7146.5-179.800000111.2V53 D54 T56 L75 N79V53-A73 WeakPolarHBondContact CA-O 3.21Å; V53-A73 WeakPolarHBondContact CB-O 3.32Å; D54-A73 PolarHBondContact N-O 3.03Å; D54-A73 PolarHBondContact O-N 3.43Å; T56-A73 HydrophobicContact CG2-CB 3.78Å; A73-L75 PolarHBondContact O-N 3.44Å; A73-N79 CarbonylContact C-O 3.59Å; A73-N79 VanDerWaalsContact CA-O 3.23Å; A73-N79 WeakPolarHBondContact CA-O 3.26Å
74C94.2Very high93.7Very high26 Ų2661.2 Ų61.218%0.17632%0.322CS..EExtended strand (participates in β ladder)trans-67.8127172.3177.90000110.3K76 C77 G78 N79 V81C74-K76 PolarHBondContact O-N 2.81Å; C74-K76 PolarHBondContact SG-N 2.87Å; C74-K76 VanDerWaalsContact SG-N 3.45Å; C74-C77 VanDerWaalsContact CB-SG 3.57Å; C74-G78 VanDerWaalsContact O-CA 3.29Å; C74-G78 WeakPolarHBondContact O-CA 3.06Å; C74-G78 PolarHBondContact O-N 2.83Å; C74-N79 PolarHBondContact N-O 3.49Å; C74-V81 HydrophobicContact CB-CG1 3.95Å
75L93.1Very high93.9Very high107 Ų10754.3 Ų54.356%0.5629%0.288SS*.THydrogen-bonded Turntrans-68-18.2-179.6-73.2171.4000113.4N51 A52 D54 A73N51-L75 VanDerWaalsContact O-CD1 3.26Å; N51-L75 WeakPolarHBondContact O-CD1 3.34Å; A52-L75 PolarHBondContact O-N 3.14Å; D54-L75 HydrophobicContact CB-CD1 4.22Å; D54-L75 HydrophobicContact CB-CD2 3.77Å; D54-L75 HydrophobicContact CB-CG 4.11Å; A73-L75 PolarHBondContact O-N 3.44Å
76K92.4Very high94Very high199 Ų19955.4 Ų55.487%0.86529%0.291SS*.THydrogen-bonded Turntrans-86.2-43.2178.6-64-178.2-178.5174.40113.4C74C74-K76 PolarHBondContact O-N 2.81Å; C74-K76 PolarHBondContact SG-N 2.87Å; C74-K76 VanDerWaalsContact SG-N 3.45Å
77C92.6Very high94Very high77 Ų7751.1 Ų51.152%0.5228%0.278SS..THydrogen-bonded Turntrans-113.6-9.7-173.469.10000114.6C74 N79C74-C77 VanDerWaalsContact CB-SG 3.57Å; C77-N79 PolarHBondContact O-N 2.71Å
78G93.3Very high93.9Very high56 Ų5652.4 Ų52.458%0.57729%0.286SS*.  trans74.8-2.817800000115.5C74C74-G78 VanDerWaalsContact O-CA 3.29Å; C74-G78 WeakPolarHBondContact O-CA 3.06Å; C74-G78 PolarHBondContact O-N 2.83Å
79N95.3Very high93.6Very high107 Ų10750.6 Ų50.657%0.57228%0.281SS*.  trans-72.4145178-67.5-34.1000111.3A73 C74 C77 V81A73-N79 CarbonylContact C-O 3.59Å; A73-N79 VanDerWaalsContact CA-O 3.23Å; A73-N79 WeakPolarHBondContact CA-O 3.26Å; C74-N79 PolarHBondContact N-O 3.49Å; C77-N79 PolarHBondContact O-N 2.71Å; N79-V81 PolarHBondContact O-N 3.3Å
80I95.9Very high93.2Very high86 Ų8655.2 Ų55.244%0.44132%0.315SS..EExtended strand (participates in β ladder)trans-68.3123168.9-62.4173.3000108.1T56 D71 I72T56-I80 HydrophobicContact CG2-CG1 4.18Å; D71-I80 HydrophobicContact CB-CD1 4.41Å; D71-I80 HydrophobicContact CB-CG2 4.24Å; I72-I80 WeakPolarHBondContact O-CA 3.48Å
81V95.9Very high92.7Very high10 Ų1057.3 Ų57.36%0.06133%0.334CS..EExtended strand (participates in β ladder)trans-111.1-9.4-177.8-66.40000112.7V53 I72 C74 N79 F104 H105 A108 V109V53-V81 HydrophobicContact CB-CG2 4.5Å; V53-V81 HydrophobicContact CG1-CG2 3.66Å; I72-V81 HydrophobicContact CD1-CG2 4.38Å; I72-V81 HydrophobicContact CG1-CG2 4.2Å; I72-V81 PolarHBondContact O-N 3.43Å; C74-V81 HydrophobicContact CB-CG1 3.95Å; N79-V81 PolarHBondContact O-N 3.3Å; V81-F104 HydrophobicContact CB-CD1 4.34Å; V81-F104 HydrophobicContact CG2-CD1 4.08Å; V81-F104 HydrophobicContact CG2-CE1 4.07Å; V81-F104 WeakPolarHBondContact O-CA 3.41Å; V81-H105 PolarHBondContact O-N 3.07Å; V81-A108 HydrophobicContact CB-CB 4.43Å; V81-A108 HydrophobicContact CG1-CB 4.47Å; V81-V109 HydrophobicContact CB-CG1 3.94Å; V81-V109 HydrophobicContact CG1-CG1 4.29Å
82G95.1Very high92.1Very high0 Ų057.2 Ų57.20%034%0.336CS..EExtended strand (participates in β ladder)trans172.8-159.9-176.800000112.9I72 M103I72-G82 WeakPolarHBondContact CG1-O 3.41Å; I72-G82 PolarHBondContact N-O 3Å; G82-M103 CarbonylContact C-O 3.56Å; G82-M103 WeakPolarHBondContact CA-O 3.28Å
83Y94.3Very high91.4Very high63 Ų6362.5 Ų62.525%0.24736%0.364CS..EExtended strand (participates in β ladder)trans-143.9160.5173.757.9-92.8000111.8L69 K70 V85 M103 H105L69-Y83 HydrophobicContact CD1-CD2 3.82Å; L69-Y83 HydrophobicContact CD1-CE2 4.07Å; L69-Y83 HydrophobicContact CD1-CG 4.18Å; L69-Y83 HydrophobicContact CD2-CD2 4.08Å; L69-Y83 HydrophobicContact CD2-CE2 4.35Å; L69-Y83 HydrophobicContact CG-CD2 4.39Å; K70-Y83 CarbonylContact O-C 3.57Å; K70-Y83 WeakPolarHBondContact O-CA 3.49Å; Y83-V85 HydrophobicContact CD2-CG2 4.44Å; Y83-V85 HydrophobicContact CE2-CG2 4.23Å; Y83-M103 HydrophobicContact CD1-CB 4.46Å; Y83-M103 HydrophobicContact CD2-CB 4.03Å; Y83-M103 HydrophobicContact CD2-CG 4.43Å; Y83-M103 HydrophobicContact CE1-CB 4.01Å; Y83-M103 HydrophobicContact CE2-CB 3.54Å; Y83-M103 HydrophobicContact CE2-CG 3.69Å; Y83-M103 HydrophobicContact CG-CB 4.48Å; Y83-M103 PolarHBondContact N-O 2.79Å; Y83-M103 PolarHBondContact O-N 2.93Å; Y83-H105 AromaticContact CD1-CE1 3.7Å; Y83-H105 AromaticContact CE1-CE1 3.79Å
84H92.8Very high90.5Very high16 Ų1666.7 Ų66.77%0.07439%0.39CS..EExtended strand (participates in β ladder)trans-111.4136.2169.2-177.5-101.1000110.5F55 L69 K70 I72 I86 F101 W102F55-H84 HydrophobicContact CD1-CB 4.4Å; F55-H84 HydrophobicContact CE1-CB 3.57Å; F55-H84 AromaticContact CE1-CG 3.8Å; F55-H84 AromaticContact CE1-ND1 3.94Å; F55-H84 HydrophobicContact CZ-CB 4.44Å; L69-H84 CarbonylContact C-O 3.54Å; L69-H84 VanDerWaalsContact CA-O 3.27Å; L69-H84 WeakPolarHBondContact CA-O 3.08Å; K70-H84 PolarHBondContact N-O 3.16Å; K70-H84 PolarHBondContact O-N 2.87Å; I72-H84 HydrophobicContact CG2-CB 4.28Å; H84-I86 WeakPolarHBondContact ND1-CD1 3.42Å; H84-I86 PolarHBondContact O-N 3.13Å; H84-F101 CarbonylContact C-O 3.5Å; H84-F101 VanDerWaalsContact CA-O 3.28Å; H84-F101 WeakPolarHBondContact CA-O 3.16Å; H84-F101 PolarHBondContact CD2-O 3.36Å; H84-W102 AromaticContact CD2-CD1 3.42Å; H84-W102 VanDerWaalsContact CD2-CD1 3.42Å; H84-W102 AromaticContact CD2-CD2 3.74Å; H84-W102 AromaticContact CD2-CE2 3.41Å; H84-W102 VanDerWaalsContact CD2-CE2 3.41Å; H84-W102 AromaticContact CD2-CG 3.71Å; H84-W102 AromaticContact CD2-NE1 3.2Å; H84-W102 PolarHBondContact CD2-NE1 3.48Å; H84-W102 AromaticContact NE2-CD1 3.85Å; H84-W102 AromaticContact NE2-NE1 3.45Å; H84-W102 PolarHBondContact NE2-NE1 3.3Å
85V92.1Very high89.3Confident24 Ų2468.1 Ų68.115%0.14540%0.4CS..EExtended strand (participates in β ladder)trans-81.9102.2173.2-175.70000108.6L69 Y83 P88 F101L69-V85 HydrophobicContact CD2-CB 4.01Å; L69-V85 HydrophobicContact CD2-CG1 4.08Å; L69-V85 HydrophobicContact CD2-CG2 3.68Å; Y83-V85 HydrophobicContact CD2-CG2 4.44Å; Y83-V85 HydrophobicContact CE2-CG2 4.23Å; V85-P88 HydrophobicContact CG1-CB 4.12Å; V85-F101 HydrophobicContact CB-CB 4.13Å; V85-F101 HydrophobicContact CB-CD1 3.89Å; V85-F101 HydrophobicContact CB-CG 4.47Å; V85-F101 HydrophobicContact CG1-CD1 4.16Å; V85-F101 PolarHBondContact N-O 2.81Å
86I91.6Very high87.5Confident59 Ų5968.9 Ų68.930%0.30341%0.413SS..EExtended strand (participates in β ladder)trans-74.8-41.6179-55.3-71.8000110.8F55 K68 K70 H84F55-I86 HydrophobicContact CE1-CD1 4.25Å; K68-I86 HydrophobicContact CD-CB 4.49Å; K68-I86 HydrophobicContact CD-CG2 4.33Å; K68-I86 HydrophobicContact CG-CB 4.35Å; K68-I86 PolarHBondContact O-N 2.6Å; K70-I86 HydrophobicContact CB-CD1 3.95Å; K70-I86 HydrophobicContact CB-CG1 3.8Å; K70-I86 HydrophobicContact CD-CD1 4.49Å; H84-I86 WeakPolarHBondContact ND1-CD1 3.42Å; H84-I86 PolarHBondContact O-N 3.13Å
87V90.9Very high86.2Confident77 Ų7761.7 Ų61.747%0.46738%0.384SS..EExtended strand (participates in β ladder)trans-139.4110.5176.2-1750000108.7C67 K68C67-V87 WeakPolarHBondContact CA-O 3.23Å; K68-V87 HydrophobicContact CB-CB 3.83Å; K68-V87 HydrophobicContact CB-CG2 4.18Å; K68-V87 HydrophobicContact CD-CG2 4.13Å; K68-V87 PolarHBondContact N-O 3.06Å; K68-V87 PolarHBondContact O-N 2.82Å; K68-V87 VanDerWaalsContact O-N 3.09Å
88P89.5Confident84.6Confident34 Ų3465.6 Ų65.622%0.22140%0.4CS..  trans-70.7146.5170.530.9-34.6000110.2V85 L93 F101V85-P88 HydrophobicContact CG1-CB 4.12Å; P88-L93 HydrophobicContact CB-CD1 4.47Å; P88-L93 HydrophobicContact CG-CD1 3.69Å; P88-F101 HydrophobicContact CB-CE1 4.47Å; P88-F101 HydrophobicContact CG-CE1 4.13Å
89C88.5Confident83.4Confident22 Ų2265.4 Ų65.415%0.14940%0.398CS..  trans-76.3164.6168.167.90000111.1C65 C67 S91 C92 L93C65-C89 WeakPolarHBondContact O-CB 3.39Å; C65-C89 PolarHBondContact O-SG 3.04Å; C67-C89 PolarHBondContact SG-N 2.93Å; C67-C89 VanDerWaalsContact SG-N 3.36Å; C67-C89 VanDerWaalsContact SG-SG 3.63Å; C89-S91 PolarHBondContact O-N 2.93Å; C89-S91 VanDerWaalsContact O-N 3.15Å; C89-S91 PolarHBondContact SG-OG 3.09Å; C89-C92 PolarHBondContact O-N 3.09Å; C89-C92 VanDerWaalsContact SG-CB 3.58Å; C89-C92 PolarHBondContact SG-N 3.04Å; C89-C92 VanDerWaalsContact SG-N 3.4Å; C89-C92 PolarHBondContact SG-SG 3.34Å; C89-L93 WeakPolarHBondContact O-CB 3.26Å; C89-L93 PolarHBondContact O-N 2.92Å
90S85.4Confident82.5Confident108 Ų10864.9 Ų64.976%0.75539%0.392SS*.THydrogen-bonded Turntrans-57.3-30.6-179.554.50000114.3P94S90-P94 WeakPolarHBondContact O-CD 3.43Å
91S85.8Confident82.1Confident85 Ų8563.8 Ų63.859%0.59438%0.384SS*.THydrogen-bonded Turntrans-79.9-25.2176.956.50000113.6C89C89-S91 PolarHBondContact O-N 2.93Å; C89-S91 VanDerWaalsContact O-N 3.15Å; C89-S91 PolarHBondContact SG-OG 3.09Å
92C84.3Confident81.7Confident33 Ų3364.2 Ų64.222%0.22338%0.384CS..THydrogen-bonded Turntrans-94.8-19.5177.7-680000112.6C89 S95C89-C92 PolarHBondContact O-N 3.09Å; C89-C92 VanDerWaalsContact SG-CB 3.58Å; C89-C92 PolarHBondContact SG-N 3.04Å; C89-C92 VanDerWaalsContact SG-N 3.4Å; C89-C92 PolarHBondContact SG-SG 3.34Å; C92-S95 VanDerWaalsContact O-CB 3.3Å; C92-S95 WeakPolarHBondContact O-CB 3.26Å; C92-S95 PolarHBondContact O-N 2.81Å; C92-S95 VanDerWaalsContact O-N 3.07Å; C92-S95 PolarHBondContact O-OG 3.33Å
93L81.3Confident81.5Confident111 Ų11168 Ų6858%0.58140%0.403SS*.THydrogen-bonded Turntrans-57-45.4175.2-174.868.6000113.3P88 C89 S95P88-L93 HydrophobicContact CB-CD1 4.47Å; P88-L93 HydrophobicContact CG-CD1 3.69Å; C89-L93 WeakPolarHBondContact O-CB 3.26Å; C89-L93 PolarHBondContact O-N 2.92Å; L93-S95 PolarHBondContact O-N 3.31Å
94P75.4Confident81.4Confident101 Ų10169.2 Ų69.266%0.65641%0.41SS*.THydrogen-bonded Turntrans-80.3-3.8175.534-37.9000113.1S90 C96S90-P94 WeakPolarHBondContact O-CD 3.43Å; P94-C96 PolarHBondContact O-N 3.33Å
95S70.2Confident81.5Confident55 Ų5572.3 Ų72.339%0.38542%0.424SS..SBendtrans-66.8137.4177.475.40000109.3C92 L93 N97C92-S95 VanDerWaalsContact O-CB 3.3Å; C92-S95 WeakPolarHBondContact O-CB 3.26Å; C92-S95 PolarHBondContact O-N 2.81Å; C92-S95 VanDerWaalsContact O-N 3.07Å; C92-S95 PolarHBondContact O-OG 3.33Å; L93-S95 PolarHBondContact O-N 3.31Å; S95-N97 PolarHBondContact O-N 2.79Å
96C55.8Low81.5Confident124 Ų12476.3 Ų76.384%0.83845%0.453SS*.  trans-71.568.3-172.2-43.80000111.4P94 N98P94-C96 PolarHBondContact O-N 3.33Å; C96-N98 VanDerWaalsContact C-N 3.26Å
97N63.8Low81.6Confident47 Ų4782.7 Ų82.725%0.25148%0.482SS..  trans-877.817662.427.3000112.7S95 G99 H100S95-N97 PolarHBondContact O-N 2.79Å; N97-G99 PolarHBondContact O-N 3.47Å; N97-G99 PolarHBondContact OD1-N 3.04Å; N97-H100 WeakPolarHBondContact O-CA 3.36Å; N97-H100 VanDerWaalsContact O-CB 3.26Å; N97-H100 WeakPolarHBondContact O-CB 3.28Å; N97-H100 PolarHBondContact O-N 3.4Å
98N60.5Low81.6Confident160 Ų16081.4 Ų81.486%0.85648%0.479SS*.THydrogen-bonded Turntrans50.528.4-177.3-62.5-32.5000113.4C96 H100C96-N98 VanDerWaalsContact C-N 3.26Å; N98-H100 PolarHBondContact O-N 3.15Å
99G67.5Low81.7Confident52 Ų5282.5 Ų82.554%0.53649%0.485SS..THydrogen-bonded Turntrans72.17.8-174.700000114.4N97 F101N97-G99 PolarHBondContact O-N 3.47Å; N97-G99 PolarHBondContact OD1-N 3.04Å; G99-F101 WeakPolarHBondContact O-CD2 3.27Å; G99-F101 PolarHBondContact O-N 3.45Å
100H76.6Confident81.8Confident96 Ų9690.7 Ų90.744%0.44451%0.514SS..  trans-90.992.1-177.6-162.8-106.7000110.7N97 N98 W102N97-H100 WeakPolarHBondContact O-CA 3.36Å; N97-H100 VanDerWaalsContact O-CB 3.26Å; N97-H100 WeakPolarHBondContact O-CB 3.28Å; N97-H100 PolarHBondContact O-N 3.4Å; N98-H100 PolarHBondContact O-N 3.15Å; H100-W102 VanDerWaalsContact C-N 3.26Å; H100-W102 PolarHBondContact CE1-O 3.2Å; H100-W102 PolarHBondContact ND1-O 3.45Å; H100-W102 PolarHBondContact O-N 3.43Å
101F86.1Confident82Confident63 Ų6392.2 Ų92.228%0.27651%0.514SS..  trans-82.7-3.4178.8-63.8-69.3000113.7H84 V85 P88 G99H84-F101 CarbonylContact C-O 3.5Å; H84-F101 VanDerWaalsContact CA-O 3.28Å; H84-F101 WeakPolarHBondContact CA-O 3.16Å; H84-F101 PolarHBondContact CD2-O 3.36Å; V85-F101 HydrophobicContact CB-CB 4.13Å; V85-F101 HydrophobicContact CB-CD1 3.89Å; V85-F101 HydrophobicContact CB-CG 4.47Å; V85-F101 HydrophobicContact CG1-CD1 4.16Å; V85-F101 PolarHBondContact N-O 2.81Å; P88-F101 HydrophobicContact CB-CE1 4.47Å; P88-F101 HydrophobicContact CG-CE1 4.13Å; G99-F101 WeakPolarHBondContact O-CD2 3.27Å; G99-F101 PolarHBondContact O-N 3.45Å
102W88.7Confident82.2Confident18 Ų1894.7 Ų94.77%0.06852%0.519CS..EExtended strand (participates in β ladder)trans-91128.7174.7-66.276.1000109.8T46 V53 F55 I72 H84 H100T46-W102 HydrophobicContact CG2-CZ2 4.29Å; T46-W102 WeakPolarHBondContact O-CZ2 3.39Å; V53-W102 HydrophobicContact CG2-CE3 4.33Å; V53-W102 HydrophobicContact CG2-CZ3 3.81Å; F55-W102 HydrophobicContact CE1-CH2 4.16Å; F55-W102 HydrophobicContact CE1-CZ2 4.38Å; F55-W102 HydrophobicContact CE2-CH2 4.42Å; F55-W102 AromaticContact CZ-CH2 3.95Å; F55-W102 HydrophobicContact CZ-CH2 3.95Å; F55-W102 AromaticContact CZ-CZ2 3.93Å; F55-W102 HydrophobicContact CZ-CZ2 3.93Å; I72-W102 HydrophobicContact CB-CZ3 4.25Å; I72-W102 HydrophobicContact CD1-CE3 3.69Å; I72-W102 HydrophobicContact CD1-CZ3 4.01Å; I72-W102 HydrophobicContact CG2-CE3 4.07Å; I72-W102 HydrophobicContact CG2-CH2 4.24Å; I72-W102 HydrophobicContact CG2-CZ3 3.55Å; H84-W102 AromaticContact CD2-CD1 3.42Å; H84-W102 VanDerWaalsContact CD2-CD1 3.42Å; H84-W102 AromaticContact CD2-CD2 3.74Å; H84-W102 AromaticContact CD2-CE2 3.41Å; H84-W102 VanDerWaalsContact CD2-CE2 3.41Å; H84-W102 AromaticContact CD2-CG 3.71Å; H84-W102 AromaticContact CD2-NE1 3.2Å; H84-W102 PolarHBondContact CD2-NE1 3.48Å; H84-W102 AromaticContact NE2-CD1 3.85Å; H84-W102 AromaticContact NE2-NE1 3.45Å; H84-W102 PolarHBondContact NE2-NE1 3.3Å; H100-W102 VanDerWaalsContact C-N 3.26Å; H100-W102 PolarHBondContact CE1-O 3.2Å; H100-W102 PolarHBondContact ND1-O 3.45Å; H100-W102 PolarHBondContact O-N 3.43Å
103M90.2Very high82.6Confident81 Ų8197.7 Ų97.740%0.39953%0.533SS..EExtended strand (participates in β ladder)trans-132.3121.5-179-63.9-62.2-67.200109.3G82 Y83G82-M103 CarbonylContact C-O 3.56Å; G82-M103 WeakPolarHBondContact CA-O 3.28Å; Y83-M103 HydrophobicContact CD1-CB 4.46Å; Y83-M103 HydrophobicContact CD2-CB 4.03Å; Y83-M103 HydrophobicContact CD2-CG 4.43Å; Y83-M103 HydrophobicContact CE1-CB 4.01Å; Y83-M103 HydrophobicContact CE2-CB 3.54Å; Y83-M103 HydrophobicContact CE2-CG 3.69Å; Y83-M103 HydrophobicContact CG-CB 4.48Å; Y83-M103 PolarHBondContact N-O 2.79Å; Y83-M103 PolarHBondContact O-N 2.93Å
104F92.8Very high83Confident88 Ų88101.9 Ų101.939%0.38654%0.541SS..EExtended strand (participates in β ladder)trans-92.8143.8175.9-63.7-77.2000111.5V53 I72 V81 S106 V109V53-F104 HydrophobicContact CG1-CE1 4.3Å; V53-F104 HydrophobicContact CG2-CE1 4.48Å; I72-F104 HydrophobicContact CD1-CD1 4.07Å; I72-F104 HydrophobicContact CD1-CE1 3.68Å; I72-F104 HydrophobicContact CD1-CZ 4.28Å; V81-F104 HydrophobicContact CB-CD1 4.34Å; V81-F104 HydrophobicContact CG2-CD1 4.08Å; V81-F104 HydrophobicContact CG2-CE1 4.07Å; V81-F104 WeakPolarHBondContact O-CA 3.41Å; F104-S106 PolarHBondContact O-N 2.83Å; F104-V109 HydrophobicContact CB-CG1 4.23Å; F104-V109 HydrophobicContact CB-CG2 3.59Å; F104-V109 HydrophobicContact CD1-CG1 3.96Å; F104-V109 HydrophobicContact CG-CG1 4.34Å; F104-V109 HydrophobicContact CG-CG2 4.27Å
105H94.1Very high83.8Confident80 Ų80101 Ų10137%0.3753%0.531SS..  trans-76.5122.8171.3-67.1-50000109.6V81 Y83 Q107 A108 V109V81-H105 PolarHBondContact O-N 3.07Å; Y83-H105 AromaticContact CD1-CE1 3.7Å; Y83-H105 AromaticContact CE1-CE1 3.79Å; H105-Q107 PolarHBondContact O-N 3Å; H105-A108 HydrophobicContact CB-CB 4.01Å; H105-A108 PolarHBondContact O-N 2.61Å; H105-V109 PolarHBondContact O-N 3.07Å
106S92.5Very high84.7Confident109 Ų109100.3 Ų100.376%0.76252%0.522SS*.THydrogen-bonded Turntrans-59.3-17.7-179.256.90000114.9F104F104-S106 PolarHBondContact O-N 2.83Å
107Q92.9Very high86.2Confident193 Ų193100.6 Ų100.690%0.90253%0.526SS*.THydrogen-bonded Turntrans-90.2-13.6175.9-61.9177.425.100113.1H105H105-Q107 PolarHBondContact O-N 3Å
108A91.8Very high87.4Confident50 Ų50102.4 Ų102.441%0.41354%0.539SS..THydrogen-bonded Turntrans-105.8-16-174.800000113.1V81 H105V81-A108 HydrophobicContact CB-CB 4.43Å; V81-A108 HydrophobicContact CG1-CB 4.47Å; H105-A108 HydrophobicContact CB-CB 4.01Å; H105-A108 PolarHBondContact O-N 2.61Å
109V91.7Very high88.8Confident57 Ų5796.8 Ų96.835%0.34552%0.518SS..  trans-133.6159178.6-55.90000110.4V81 F104 H105V81-V109 HydrophobicContact CB-CG1 3.94Å; V81-V109 HydrophobicContact CG1-CG1 4.29Å; F104-V109 HydrophobicContact CB-CG1 4.23Å; F104-V109 HydrophobicContact CB-CG2 3.59Å; F104-V109 HydrophobicContact CD1-CG1 3.96Å; F104-V109 HydrophobicContact CG-CG1 4.34Å; F104-V109 HydrophobicContact CG-CG2 4.27Å; H105-V109 PolarHBondContact O-N 3.07Å
110Y91.3Very high89.9Confident193 Ų19399.7 Ų99.776%0.75753%0.526SS*.  trans-126145.3167.359.1-87.1000108I112Y110-I112 HydrophobicContact CD2-CD1 4.37Å; Y110-I112 HydrophobicContact CD2-CG1 4.01Å; Y110-I112 HydrophobicContact CE2-CD1 3.68Å; Y110-I112 HydrophobicContact CE2-CG1 3.84Å
111D89.6Confident90.6Very high141 Ų14199.6 Ų99.675%0.75453%0.528SS*.  trans-85.7147.7175.961.8-66.1000111.1
112I89.7Confident90.8Very high137 Ų137100.4 Ų100.470%0.70354%0.535SS*.  trans-127.8128.4166.6-60.5167.4000106.3Y110 R114Y110-I112 HydrophobicContact CD2-CD1 4.37Å; Y110-I112 HydrophobicContact CD2-CG1 4.01Å; Y110-I112 HydrophobicContact CE2-CD1 3.68Å; Y110-I112 HydrophobicContact CE2-CG1 3.84Å; I112-R114 PolarHBondContact O-N 3.31Å
113N91.3Very high90.9Very high95 Ų95102.1 Ų102.151%0.50855%0.545SS..PPolyproline II helixtrans-63.3129.2174.7-71.6-63.1000110.6I122N113-I122 HydrophobicContact CB-CD1 4.21Å; N113-I122 HydrophobicContact CB-CG1 4.08Å; N113-I122 HydrophobicContact CB-CG2 4.1Å
114R90.9Very high91Very high199 Ų199103 Ų10375%0.75155%0.551SS**PPolyproline II helixtrans-66.8135172.3-175.1169177.8-177.41.7109.1I112 L123I112-R114 PolarHBondContact O-N 3.31Å; R114-L123 HydrophobicContact CB-CB 4.47Å; R114-L123 HydrophobicContact CG-CB 4.36Å; R114-L123 HydrophobicContact CG-CD2 4.05Å; R114-L123 WeakPolarHBondContact O-CB 3.04Å; R114-L123 PolarHBondContact O-N 2.8Å
115L91.6Very high90.6Very high84 Ų84109.8 Ų109.844%0.4457%0.574SS.*BIsolated β-bridgetrans-90153.3174.3-56.5176.7000110.2G119 N121L115-G119 WeakPolarHBondContact CD1-O 3.3Å; L115-N121 CarbonylContact C-O 3.54Å; L115-N121 VanDerWaalsContact CA-O 3.22Å; L115-N121 WeakPolarHBondContact CA-O 3.4Å; L115-N121 WeakPolarHBondContact CD2-O 3.48Å
116D89.3Confident90.2Very high39 Ų39109.6 Ų109.621%0.20959%0.594CS.*  trans-69.4-178173.770.15.8000112T118 G119 N121 L123D116-T118 VanDerWaalsContact CG-OG1 3.28Å; D116-T118 PolarHBondContact O-N 3.29Å; D116-T118 VanDerWaalsContact O-N 3.16Å; D116-T118 WeakPolarHBondContact OD1-CA 3.4Å; D116-T118 VanDerWaalsContact OD1-CB 3.3Å; D116-T118 WeakPolarHBondContact OD1-CB 3.44Å; D116-T118 PolarHBondContact OD1-N 3.03Å; D116-T118 PolarHBondContact OD1-OG1 2.73Å; D116-T118 PolarHBondContact OD2-OG1 3.42Å; D116-G119 PolarHBondContact O-N 3.41Å; D116-G119 PolarHBondContact OD1-N 3.09Å; D116-G119 VanDerWaalsContact OD1-N 3.13Å; D116-N121 PolarHBondContact N-O 3.18Å; D116-N121 WeakPolarHBondContact OD2-CB 3.01Å; D116-N121 PolarHBondContact OD2-ND2 3.05Å; D116-L123 HydrophobicContact CB-CD1 4.14Å
117S87.4Confident89.8Confident131 Ų131110 Ų11092%0.91659%0.587SS**THydrogen-bonded Turntrans-62.4-19.5178.354.90000113.6G119S117-G119 VanDerWaalsContact C-N 3.31Å
118T89.3Confident89.2Confident84 Ų84104.6 Ų104.652%0.51557%0.565SS.*THydrogen-bonded Turntrans-78.1-20.5174.979.90000111.9D116 V120D116-T118 VanDerWaalsContact CG-OG1 3.28Å; D116-T118 PolarHBondContact O-N 3.29Å; D116-T118 VanDerWaalsContact O-N 3.16Å; D116-T118 WeakPolarHBondContact OD1-CA 3.4Å; D116-T118 VanDerWaalsContact OD1-CB 3.3Å; D116-T118 WeakPolarHBondContact OD1-CB 3.44Å; D116-T118 PolarHBondContact OD1-N 3.03Å; D116-T118 PolarHBondContact OD1-OG1 2.73Å; D116-T118 PolarHBondContact OD2-OG1 3.42Å; T118-V120 PolarHBondContact O-N 3.29Å; T118-V120 PolarHBondContact OG1-N 2.87Å
119G89.4Confident88.7Confident42 Ų42107.6 Ų107.643%0.43358%0.58SS.*SBendtrans70.513.1-177.200000113.7L115 D116 S117L115-G119 WeakPolarHBondContact CD1-O 3.3Å; D116-G119 PolarHBondContact O-N 3.41Å; D116-G119 PolarHBondContact OD1-N 3.09Å; D116-G119 VanDerWaalsContact OD1-N 3.13Å; S117-G119 VanDerWaalsContact C-N 3.31Å
120V90.1Very high88Confident113 Ų113113.9 Ų113.969%0.68561%0.605SS**SBendtrans-113.7-43.6-178-178.70000111.3T118T118-V120 PolarHBondContact O-N 3.29Å; T118-V120 PolarHBondContact OG1-N 2.87Å
121N90.9Very high87.2Confident94 Ų94111.9 Ų111.950%0.50361%0.606SS.*SBendtrans-98.3155.8-177.5-53.3-66.1000111.5L115 D116 L123L115-N121 CarbonylContact C-O 3.54Å; L115-N121 VanDerWaalsContact CA-O 3.22Å; L115-N121 WeakPolarHBondContact CA-O 3.4Å; L115-N121 WeakPolarHBondContact CD2-O 3.48Å; D116-N121 PolarHBondContact N-O 3.18Å; D116-N121 WeakPolarHBondContact OD2-CB 3.01Å; D116-N121 PolarHBondContact OD2-ND2 3.05Å; N121-L123 PolarHBondContact O-N 3.15Å
122I92.3Very high86Confident80 Ų80114 Ų11441%0.4161%0.611SS.*BIsolated β-bridgetrans-67.1132.1170.8-62.4173.4000108.5N113 L124N113-I122 HydrophobicContact CB-CD1 4.21Å; N113-I122 HydrophobicContact CB-CG1 4.08Å; N113-I122 HydrophobicContact CB-CG2 4.1Å; I122-L124 HydrophobicContact CG2-CD2 4.02Å; I122-L124 PolarHBondContact O-N 2.89Å
123L90.8Very high84.5Confident55 Ų55115.8 Ų115.829%0.28862%0.617SS.*  trans-70.1113.4173.8-176.865.1000109.5R114 D116 N121R114-L123 HydrophobicContact CB-CB 4.47Å; R114-L123 HydrophobicContact CG-CB 4.36Å; R114-L123 HydrophobicContact CG-CD2 4.05Å; R114-L123 WeakPolarHBondContact O-CB 3.04Å; R114-L123 PolarHBondContact O-N 2.8Å; D116-L123 HydrophobicContact CB-CD1 4.14Å; N121-L123 PolarHBondContact O-N 3.15Å
124L90.4Very high82.8Confident98 Ų98115.7 Ų115.751%0.51362%0.623SS.*  trans-107145.1177.1-59.1178.2000110I122 G126 N127I122-L124 HydrophobicContact CG2-CD2 4.02Å; I122-L124 PolarHBondContact O-N 2.89Å; L124-G126 VanDerWaalsContact C-N 3.26Å; L124-G126 PolarHBondContact O-N 2.87Å; L124-N127 PolarHBondContact O-N 3.05Å
125W86.3Confident81Confident231 Ų231112.4 Ų112.488%0.87563%0.626SS**G310 helixtrans-56-38.6178.4-71.399.3000113.3N127 L128W125-N127 PolarHBondContact O-N 3.04Å; W125-L128 HydrophobicContact CB-CD1 4.43Å; W125-L128 HydrophobicContact CD2-CD1 4.1Å; W125-L128 HydrophobicContact CE3-CD1 3.28Å; W125-L128 HydrophobicContact CZ3-CD1 3.81Å; W125-L128 WeakPolarHBondContact O-CD1 3.47Å; W125-L128 PolarHBondContact O-N 2.83Å
126G85Confident79.3Confident77 Ų77114.7 Ų114.779%0.79464%0.639SS**G310 helixtrans-69.1-8.6178.600000115L124L124-G126 VanDerWaalsContact C-N 3.26Å; L124-G126 PolarHBondContact O-N 2.87Å
127N83.3Confident77.7Confident116 Ų116121.5 Ų121.562%0.6267%0.669SS**G310 helixtrans-112.611-179.4-59.6-8.2000112L124 W125L124-N127 PolarHBondContact O-N 3.05Å; W125-N127 PolarHBondContact O-N 3.04Å
128L81.6Confident76Confident81 Ų81122.1 Ų122.142%0.42466%0.662SS.*SBendtrans-66.4137.1173-77.8157.4000109W125 E130W125-L128 HydrophobicContact CB-CD1 4.43Å; W125-L128 HydrophobicContact CD2-CD1 4.1Å; W125-L128 HydrophobicContact CE3-CD1 3.28Å; W125-L128 HydrophobicContact CZ3-CD1 3.81Å; W125-L128 WeakPolarHBondContact O-CD1 3.47Å; W125-L128 PolarHBondContact O-N 2.83Å; L128-E130 PolarHBondContact O-N 2.94Å
129P80.3Confident74.3Confident113 Ų113123.9 Ų123.973%0.73467%0.673SS**PPolyproline II helixtrans-59.8136.917523-29.8000109.6I131P129-I131 PolarHBondContact O-N 3.26Å
130E77.2Confident72.3Confident188 Ų188129.1 Ų129.188%0.87969%0.69SS**PPolyproline II helixtrans-60.4132.5168.1-70.5-179.2174.400107.9L128 E132L128-E130 PolarHBondContact O-N 2.94Å; E130-E132 PolarHBondContact O-N 2.7Å; E130-E132 VanDerWaalsContact O-N 3.09Å
131I74.8Confident70.3Confident152 Ų152131.2 Ų131.278%0.77970%0.697SS**  trans-64.4114.1170.2-82.2168.2000105.8P129 E133P129-I131 PolarHBondContact O-N 3.26Å; I131-E133 PolarHBondContact O-N 2.77Å
132E64Low68.2Low184 Ų184134.2 Ų134.286%0.8671%0.712SS**  trans-60.3111.4163-67.3179.1-173.400105.9E130 S134E130-E132 PolarHBondContact O-N 2.7Å; E130-E132 VanDerWaalsContact O-N 3.09Å; E132-S134 VanDerWaalsContact C-N 3.33Å; E132-S134 PolarHBondContact O-N 2.73Å
133E57.5Low65.9Low176 Ų176133.3 Ų133.382%0.82271%0.712SS**  trans-59.6100.4171.5-71.5-179.916900107I131 T135I131-E133 PolarHBondContact O-N 2.77Å; E133-T135 PolarHBondContact O-N 3.16Å
134S56.4Low63.9Low92 Ų92134.8 Ų134.864%0.64373%0.732SS**  trans-59.1111.6168.852.80000106.5E132 D136E132-S134 VanDerWaalsContact C-N 3.33Å; E132-S134 PolarHBondContact O-N 2.73Å; S134-D136 PolarHBondContact O-N 2.99Å
135T52.4Low61.9Low130 Ų130137.2 Ų137.280%0.79874%0.741SS**  trans-70.754.2174.653.90000110.8E133E133-T135 PolarHBondContact O-N 3.16Å
136D56.5Low60Low133 Ų133133.9 Ų133.971%0.71174%0.735SS**  trans-104.781.5169.2-63.6-36000105.9S134 D138S134-D136 PolarHBondContact O-N 2.99Å; D136-D138 PolarHBondContact O-N 3.47Å
137E56.6Low57.9Low181 Ų181135.9 Ų135.985%0.84674%0.736SS**  trans-56.876.9164.4-72-84.8164.600109.3
138D51.6Low56Low145 Ų145138 Ų13878%0.77575%0.745SS**  trans-158.8102.7164.2-89.7-40.4000111.8D136D136-D138 PolarHBondContact O-N 3.47Å
139V53Low53.8Low121 Ų121148 Ų14873%0.73378%0.777SS**  trans62.6100.4142.5-1670000116.4
140L46.9Very low52.5Low152 Ų152149.7 Ų149.780%0.79678%0.779SS**  -172.3114.3109.1-90177.1000109.3I142L140-I142 VanDerWaalsContact C-N 3.32Å; L140-I142 PolarHBondContact O-N 2.97Å
141N49.5Very low51.2Low157 Ų157147.7 Ų147.784%0.8477%0.774SS**  trans-62.287.8171.3-170.512000109.5S143N141-S143 PolarHBondContact O-N 3.27Å
142I46.9Very low49.9Very low157 Ų157147.4 Ų147.481%0.80577%0.774SS**  trans-75.688.7167.1-53172.4000105.6L140 A144L140-I142 VanDerWaalsContact C-N 3.32Å; L140-I142 PolarHBondContact O-N 2.97Å; I142-A144 PolarHBondContact O-N 2.88Å
143S43.6Very low49.1Very low60 Ų60145.3 Ų145.342%0.4277%0.769SS.*  trans-47.9126.5169.5148.20000109.1N141 E145N141-S143 PolarHBondContact O-N 3.27Å; S143-E145 WeakPolarHBondContact CB-OE2 3.5Å; S143-E145 PolarHBondContact O-N 2.8Å; S143-E145 WeakPolarHBondContact OG-CB 3.49Å; S143-E145 PolarHBondContact OG-N 2.56Å; S143-E145 PolarHBondContact OG-OE2 3.01Å
144A48.9Very low48.6Very low86 Ų86143.4 Ų143.471%0.71177%0.766SS**THydrogen-bonded Turntrans-70.211.5-178.600000113.2I142I142-A144 PolarHBondContact O-N 2.88Å
145E47.4Very low48Very low149 Ų149146.8 Ų146.870%0.69677%0.774SS**THydrogen-bonded Turntrans-94.81.7-175.2-75.575.9-164.900114.6S143S143-E145 WeakPolarHBondContact CB-OE2 3.5Å; S143-E145 PolarHBondContact O-N 2.8Å; S143-E145 WeakPolarHBondContact OG-CB 3.49Å; S143-E145 PolarHBondContact OG-N 2.56Å; S143-E145 PolarHBondContact OG-OE2 3.01Å
146E46.3Very low47.7Very low162 Ų162148 Ų14876%0.75777%0.772SS**  trans-10730.3176.8-149.3177.7175.500114.2
147C41.7Very low47.1Very low119 Ų119149.2 Ų149.280%0.80478%0.777SS**SBendtrans-113.829.7173.6-73.50000113.2
148I42.8Very low46.3Very low160 Ų160146.5 Ų146.582%0.82177%0.771SS**  trans-149.492.2162.6-47.3175.1000109
149R36.7Very low45.8Very low290 Ų290146.6 Ų146.6100%1.09477%0.771SS**  trans-1410156.8-83.6-163.9171.9853.9110.8

Retrieved 149 of 149 residues in 47.8 ms (Link to these results)