A0A060CVD8_MAIZE Loading...

AP2-EREBP transcription factor

AlphaFold DB , UniProt , Accession A0A060CVD8, Species MAIZE (Zea mays, Maize), Gene EREB144, Length 254 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
1M40.7Very low59.2Low246 Ų246142.2 Ų142.2100%1.21284%0.843SS**  0112.60-70.8-127.8165.700107.3
2P66.7Low59Low126 Ų126139.8 Ų139.882%0.81884%0.839SS**  trans-108.5137.7-177.236.1-24.7000112.2
3E61.4Low59Low204 Ų204146.9 Ų146.995%0.95384%0.842SS**  trans-151.7132.9160-65.2-172108.700104.7
4G60.8Low58.8Low66 Ų66144.1 Ų144.168%0.6884%0.836SS**  cis128.4115.32100000106.1
5D69.8Low58.8Low173 Ų173141 Ų14193%0.92583%0.825SS**  trans-169.7129.7147.9-105.9-42000112.3
6Q55.2Low58.4Low180 Ų180143.8 Ų143.884%0.84183%0.828SS**  trans-114143.4177.2-79.1-114.5700108.3
7V71.9Confident57.8Low142 Ų142140.5 Ų140.586%0.86182%0.822SS**  trans-137.4115.2170220000110.1
8S56.2Low57.8Low98 Ų98139.3 Ų139.369%0.68582%0.823SS**  trans-67.3156.9167.4-46.70000110.4
9S60.1Low57.9Low109 Ų109138.1 Ų138.176%0.76282%0.822SS**  170.913789.1-56.30000111.7
10S53.3Low57.5Low105 Ų105135.5 Ų135.573%0.73483%0.825SS**  trans10.1144.3144.852.40000123
11S55.6Low57.2Low115 Ų115132 Ų13280%0.80482%0.816SS**  173.6119.1108.3-71.20000115.5
12S56Low57.9Low113 Ų113127.2 Ų127.279%0.7980%0.801SS**  trans-0.6147.1146.3-42.10000123.7
13R58.9Low57.5Low233 Ų233126.2 Ų126.288%0.87980%0.797SS**  trans165.9110.4134.5-91161.1157.1-151.2-10.6111.4
14S56.8Low57.2Low108 Ų108121.7 Ų121.776%0.75579%0.788SS**  41.5129.884.960.40000114.4
15S58.1Low57Low97 Ų97124.3 Ų124.368%0.67880%0.796SS**  cis-176.2157.144.5-34.40000111.7
16Q53.4Low56.7Low186 Ų186121.6 Ų121.687%0.86979%0.788SS**  trans45.3122.6138.4-66.6165.417.500120.9
17A48.3Very low56.9Low88 Ų88118.6 Ų118.673%0.72778%0.784SS**  92.4137.46100000115.5
18S57.7Low55.6Low119 Ų119122.7 Ų122.783%0.83278%0.784SS**  trans67.8145.5167.249.50000118.2
19S58.5Low55.6Low115 Ų115122.5 Ų122.580%0.80478%0.783SS**  cis-178154.7341.50000108.9
20G49.8Very low55.6Low86 Ų86122.2 Ų122.289%0.88778%0.778SS**  trans86.6142.7159.500000115.7
21G51.2Low55.6Low62 Ų62122.1 Ų122.164%0.63978%0.784SS**  cis-175.6147.92.600000110.5
22T55.9Low55.2Low146 Ų146119.8 Ų119.890%0.89678%0.778SS**  trans65.7142.8136.6660000122.5
23S59.1Low55Low106 Ų106124.2 Ų124.274%0.74178%0.783SS**  trans98.185.2161.8-1590000115
24S55.2Low54.3Low109 Ų109122.9 Ų122.976%0.76278%0.783SS**  7491.485-58.80000113.1
25S56.8Low53.6Low121 Ų121123 Ų12385%0.84679%0.791SS**  trans-165.6148148.7-83.30000110.3
26P63.5Low52.7Low115 Ų115121.9 Ų121.975%0.74779%0.794SS**  trans-84.3163.6-15134.3-35.9000113.9W28P26-W28 PolarHBondContact O-N 3.09Å
27P58.5Low52.3Low117 Ų117116.9 Ų116.976%0.7679%0.785SS**  trans-79.6117.317431.9-30.1000110.1S29P27-S29 PolarHBondContact O-N 3.43Å; P27-S29 VanDerWaalsContact O-N 3.09Å
28W44.2Very low52.2Low229 Ų229118 Ų11887%0.86780%0.795SS**  trans-59113.3160.3165.4-73.3000108P26P26-W28 PolarHBondContact O-N 3.09Å
29S57.7Low51.7Low94 Ų94120.8 Ų120.866%0.65779%0.794SS**  trans-98117166-65.60000108P27 A31P27-S29 PolarHBondContact O-N 3.43Å; P27-S29 VanDerWaalsContact O-N 3.09Å; S29-A31 VanDerWaalsContact C-N 3.29Å; S29-A31 PolarHBondContact O-N 3.42Å
30P59Low51Low102 Ų102125.2 Ų125.266%0.66280%0.799SS**  trans-81.988.9154.428.7-17.2000106.5G32P30-G32 PolarHBondContact O-N 3.28Å
31A54.4Low50.9Low104 Ų104133.1 Ų133.186%0.8680%0.802SS**  trans-66.188.5163.100000108.2S29S29-A31 VanDerWaalsContact C-N 3.29Å; S29-A31 PolarHBondContact O-N 3.42Å
32G46.3Very low50.6Low65 Ų65134.2 Ų134.267%0.6781%0.805SS**  trans-162.869.3178.100000108.3P30 K34P30-G32 PolarHBondContact O-N 3.28Å; G32-K34 PolarHBondContact O-N 3.44Å
33K52.3Low50Low207 Ų207139.5 Ų139.590%0.981%0.808SS**  trans-60.1102.6-176.7-59.6174.9-179.9-174.10110.6
34K44.1Very low49.3Very low204 Ų204137.8 Ų137.889%0.88780%0.801SS**  trans-140.197.4139.5-77.3-152.8178.7-174.50109.3G32 G36G32-K34 PolarHBondContact O-N 3.44Å; K34-G36 VanDerWaalsContact C-N 3.28Å; K34-G36 PolarHBondContact O-N 3.41Å
35A41.6Very low48.9Very low112 Ų112141.3 Ų141.393%0.92680%0.797SS**  trans-63.393157.500000108.1
36G39.7Very low48.3Very low72 Ų72144.1 Ų144.174%0.74280%0.797SS**  trans-104.982.1160.200000107.1K34 A38K34-G36 VanDerWaalsContact C-N 3.28Å; K34-G36 PolarHBondContact O-N 3.41Å; G36-A38 PolarHBondContact O-N 3.28Å
37A44.3Very low47.2Very low81 Ų81143 Ų14367%0.66979%0.789SS**  trans-51.4132.2177.400000110.9E39A37-E39 WeakPolarHBondContact O-CB 3.27Å; A37-E39 PolarHBondContact O-N 3.42Å
38A47.6Very low46.4Very low113 Ų113143.5 Ų143.593%0.93479%0.79SS**SBendtrans23.233.8132.900000121.6G36G36-A38 PolarHBondContact O-N 3.28Å
39E47Very low46.4Very low177 Ų177138.3 Ų138.383%0.82778%0.783SS**  trans-12044.2-172.9-161.3-177.9105.400113.4A37A37-E39 WeakPolarHBondContact O-CB 3.27Å; A37-E39 PolarHBondContact O-N 3.42Å
40K43.3Very low45.9Very low207 Ų207140.8 Ų140.890%0.979%0.789SS**  trans-141.225.8170.2-72.3-166178.2175.30114.9
41R47.6Very low45.4Very low253 Ų253141.6 Ų141.696%0.95579%0.794SS**SBendtrans-111.545174.3-70.6-177.2176.4-111.42.1112.2
42A44.2Very low45.4Very low84 Ų84140.2 Ų140.269%0.69478%0.776SS**  trans-16368.4167.100000109.9A44A42-A44 PolarHBondContact O-N 3.19Å
43R43.3Very low46.2Very low257 Ų257143.4 Ų143.497%0.9779%0.788SS**  trans-77.157.8158.1-160159.4-172.5-164.1-0108.6R45R43-R45 PolarHBondContact O-N 3.37Å
44A45.5Very low47.8Very low70 Ų70136.7 Ų136.758%0.57977%0.768SS**  trans-63.3110.9155.100000104.4A42A42-A44 PolarHBondContact O-N 3.19Å
45R45.7Very low50.1Low183 Ų183129.4 Ų129.469%0.69174%0.735SS**  56.356.878.4-158.6179.8-178.9-133.51110.9R43 T47 V107R43-R45 PolarHBondContact O-N 3.37Å; R45-T47 PolarHBondContact O-OG1 3.05Å; R45-V107 HydrophobicContact CG-CG2 4.48Å
46E43.9Very low52.4Low180 Ų180129.9 Ų129.984%0.84171%0.713SS**  trans-109.4102.3152.2-69.5168.4170.600102.6
47T41.8Very low54.9Low93 Ų93128 Ų12857%0.57169%0.694SS**  3010359.753.30000112.1R45R45-T47 PolarHBondContact O-OG1 3.05Å
48T40.1Very low57.3Low127 Ų127124.6 Ų124.678%0.77966%0.664SS**SBendtrans103.299.9153-41.70000114.8
49T45.6Very low59.5Low120 Ų120123.3 Ų123.374%0.73664%0.635SS**SBendtrans86.748.9144.1-35.50000120.3
50D46.4Very low61.7Low146 Ų146120.9 Ų120.978%0.78163%0.625SS**SBendtrans-144.4142151.1-77.4-57.7000108.7P52D50-P52 WeakPolarHBondContact O-CD 3.43Å
51P48.5Very low64.1Low119 Ų119117.6 Ų117.677%0.77361%0.607SS**  trans-59.5111.9175.825.3-32000107.8S53P51-S53 PolarHBondContact O-N 2.89Å
52P54.7Low66.2Low74 Ų74111 Ų11148%0.48161%0.607SS.*  trans-70.9115-172.428.6-31.9000106.8D50 S54 Y55D50-P52 WeakPolarHBondContact O-CD 3.43Å; P52-S54 PolarHBondContact O-N 3.01Å; P52-Y55 HydrophobicContact CG-CD1 4.34Å; P52-Y55 HydrophobicContact CG-CE1 4.41Å
53S64.1Low68.3Low132 Ų132116.8 Ų116.892%0.92361%0.611SS**SBendtrans-56-5174.254.40000113.7P51P51-S53 PolarHBondContact O-N 2.89Å
54S84.8Confident70.7Confident66 Ų66106.8 Ų106.846%0.46259%0.588SS.*SBendtrans-153.5127.9163.1-178.70000110.4P52 V58P52-S54 PolarHBondContact O-N 3.01Å; S54-V58 PolarHBondContact OG-O 3.1Å
55Y91.7Very high73Confident51 Ų51107.9 Ų107.920%0.258%0.579CS.*  trans-63.2154.5168.5-65-82.1000112P52 V58 P87 E88 A91 N109 F110P52-Y55 HydrophobicContact CG-CD1 4.34Å; P52-Y55 HydrophobicContact CG-CE1 4.41Å; Y55-V58 PolarHBondContact O-N 3.42Å; Y55-P87 HydrophobicContact CD2-CB 3.8Å; Y55-P87 HydrophobicContact CE2-CB 3.88Å; Y55-P87 HydrophobicContact CE2-CG 4.29Å; Y55-E88 HydrophobicContact CE2-CG 4.35Å; Y55-A91 HydrophobicContact CD1-CB 3.75Å; Y55-A91 HydrophobicContact CD2-CB 4.15Å; Y55-A91 HydrophobicContact CE1-CB 4.45Å; Y55-A91 HydrophobicContact CG-CB 3.57Å; Y55-N109 HydrophobicContact CD1-CB 4.13Å; Y55-F110 HydrophobicContact CD1-CZ 4.22Å; Y55-F110 AromaticContact CE1-CE1 3.98Å; Y55-F110 HydrophobicContact CE1-CE1 3.98Å; Y55-F110 AromaticContact CE1-CZ 3.64Å; Y55-F110 HydrophobicContact CE1-CZ 3.64Å
56R91.8Very high75.3Confident122 Ų122101.5 Ų101.546%0.4656%0.555SS.*THydrogen-bonded Turntrans-69.7132.7178.3-59.8173.468.3-115.85.4109.6V58 H94 V107 N109R56-V58 PolarHBondContact O-N 2.66Å; R56-H94 PolarHBondContact O-CD2 3.25Å; R56-H94 VanDerWaalsContact O-CD2 3.24Å; R56-V107 PolarHBondContact NH1-O 2.98Å; R56-N109 VanDerWaalsContact CB-OD1 3.28Å; R56-N109 WeakPolarHBondContact CB-OD1 3.45Å; R56-N109 WeakPolarHBondContact CG-OD1 2.96Å; R56-N109 PolarHBondContact N-OD1 3.12Å; R56-N109 PolarHBondContact O-ND2 3.31Å
57G91.8Very high77.7Confident33 Ų3393.1 Ų93.134%0.3452%0.516SS..THydrogen-bonded Turntrans780.3-18000000115.1E69G57-E69 PolarHBondContact O-N 2.8Å
58V94.1Very high80.3Confident9 Ų988.7 Ų88.76%0.05549%0.489CS..EExtended strand (participates in β ladder)trans-107.7133.4-178.6-179.90000109.7S54 Y55 R56 W66 V67 A90 A91S54-V58 PolarHBondContact OG-O 3.1Å; Y55-V58 PolarHBondContact O-N 3.42Å; R56-V58 PolarHBondContact O-N 2.66Å; V58-W66 HydrophobicContact CG1-CB 4.24Å; V58-W66 HydrophobicContact CG1-CD2 4.33Å; V58-W66 HydrophobicContact CG1-CE3 3.53Å; V58-W66 HydrophobicContact CG1-CZ3 4.21Å; V58-V67 WeakPolarHBondContact CA-O 3.11Å; V58-A90 HydrophobicContact CB-CB 4.33Å; V58-A90 HydrophobicContact CG1-CB 3.74Å; V58-A90 HydrophobicContact CG2-CB 3.67Å; V58-A91 HydrophobicContact CG2-CB 3.99Å
59R93.8Very high82.9Confident86 Ų8684.6 Ų84.633%0.32546%0.461SS..EExtended strand (participates in β ladder)trans-133.5140.6173.963.2177.7-178.373.61.5111.4V67 E69R59-V67 HydrophobicContact CG-CB 3.99Å; R59-V67 PolarHBondContact N-O 3.43Å; R59-V67 PolarHBondContact O-N 3.44Å; R59-E69 IonicContact CZ-OE2 3.31Å; R59-E69 IonicContact NE-OE2 2.82Å; R59-E69 PolarHBondContact NE-OE2 2.93Å; R59-E69 IonicContact NH2-OE2 2.84Å
60M93.6Very high85.2Confident126 Ų12679.4 Ų79.462%0.62143%0.429SS*.EExtended strand (participates in β ladder)trans-89.8130.2172.1-167.9165.563.600109.9W66M60-W66 HydrophobicContact CB-CD2 4.41Å; M60-W66 HydrophobicContact CB-CE3 3.87Å; M60-W66 HydrophobicContact CB-CH2 4.19Å; M60-W66 HydrophobicContact CB-CZ3 3.78Å; M60-W66 HydrophobicContact CG-CE3 4.47Å; M60-W66 HydrophobicContact CG-CZ3 4.48Å; M60-W66 HydrophobicContact SD-CH2 3.95Å; M60-W66 HydrophobicContact SD-CZ2 3.78Å; M60-W66 HydrophobicContact SD-CZ3 4.48Å
61R93.5Very high87.4Confident138 Ų13880.2 Ų80.252%0.52142%0.421SS..  trans-96.5157.5170.3-176.2173.4-77.4165.5-4.9109.4W63 G64 K65R61-W63 HydrophobicContact CG-CB 4.48Å; R61-W63 PolarHBondContact O-N 3.12Å; R61-G64 PolarHBondContact O-N 3.16Å; R61-K65 PolarHBondContact N-O 3.03Å
62A91.9Very high89.2Confident115 Ų11575.7 Ų75.795%0.9539%0.389SS*.THydrogen-bonded Turntrans-52.9-22.5175.100000114.5G64A62-G64 PolarHBondContact O-N 3.35Å
63W88.5Confident90.7Very high206 Ų20677 Ų7778%0.7840%0.398SS*.THydrogen-bonded Turntrans-68.3-8.1172.4-176.8-113.5000114.2R61 K65R61-W63 HydrophobicContact CG-CB 4.48Å; R61-W63 PolarHBondContact O-N 3.12Å; W63-K65 VanDerWaalsContact C-N 3.32Å; W63-K65 HydrophobicContact CG-CG 4.42Å; W63-K65 PolarHBondContact O-N 3.31Å
64G92.2Very high91.8Very high46 Ų4682.3 Ų82.347%0.47440%0.398SS..SBendtrans77.914.1-178.500000114.2R61 A62R61-G64 PolarHBondContact O-N 3.16Å; A62-G64 PolarHBondContact O-N 3.35Å
65K93.8Very high92Very high93 Ų9383.8 Ų83.840%0.40440%0.396SS..  trans-103142.4172.2-61.9-66.9-178.1-176.40110.9R61 W63R61-K65 PolarHBondContact N-O 3.03Å; W63-K65 VanDerWaalsContact C-N 3.32Å; W63-K65 HydrophobicContact CG-CG 4.42Å; W63-K65 PolarHBondContact O-N 3.31Å
66W95.1Very high91.8Very high50 Ų5091.9 Ų91.919%0.18943%0.432CS..EExtended strand (participates in β ladder)trans-86129.3174.7-6090.7000109V58 M60 T83 F84 P87 A90V58-W66 HydrophobicContact CG1-CB 4.24Å; V58-W66 HydrophobicContact CG1-CD2 4.33Å; V58-W66 HydrophobicContact CG1-CE3 3.53Å; V58-W66 HydrophobicContact CG1-CZ3 4.21Å; M60-W66 HydrophobicContact CB-CD2 4.41Å; M60-W66 HydrophobicContact CB-CE3 3.87Å; M60-W66 HydrophobicContact CB-CH2 4.19Å; M60-W66 HydrophobicContact CB-CZ3 3.78Å; M60-W66 HydrophobicContact CG-CE3 4.47Å; M60-W66 HydrophobicContact CG-CZ3 4.48Å; M60-W66 HydrophobicContact SD-CH2 3.95Å; M60-W66 HydrophobicContact SD-CZ2 3.78Å; M60-W66 HydrophobicContact SD-CZ3 4.48Å; W66-T83 CarbonylContact O-C 3.48Å; W66-T83 VanDerWaalsContact O-CA 3.26Å; W66-T83 WeakPolarHBondContact O-CA 3.23Å; W66-F84 WeakPolarHBondContact CB-O 3.43Å; W66-F84 PolarHBondContact N-O 3.33Å; W66-F84 PolarHBondContact O-N 2.84Å; W66-P87 HydrophobicContact CD2-CB 3.68Å; W66-P87 HydrophobicContact CD2-CG 4.31Å; W66-P87 HydrophobicContact CE3-CB 3.81Å; W66-P87 HydrophobicContact CG-CB 4.28Å; W66-P87 HydrophobicContact CH2-CB 3.88Å; W66-P87 HydrophobicContact CH2-CG 4.17Å; W66-P87 HydrophobicContact CZ2-CB 3.81Å; W66-P87 HydrophobicContact CZ2-CG 3.75Å; W66-P87 HydrophobicContact CZ3-CB 3.88Å; W66-A90 HydrophobicContact CB-CB 4Å
67V94.5Very high91.8Very high3 Ų389.6 Ų89.62%0.01844%0.435CS..EExtended strand (participates in β ladder)trans-110.5131.5179-168.10000108.8V58 R59 T83V58-V67 WeakPolarHBondContact CA-O 3.11Å; R59-V67 HydrophobicContact CG-CB 3.99Å; R59-V67 PolarHBondContact N-O 3.43Å; R59-V67 PolarHBondContact O-N 3.44Å; V67-T83 HydrophobicContact CB-CG2 4.47Å; V67-T83 HydrophobicContact CG1-CG2 4.18Å; V67-T83 HydrophobicContact CG2-CG2 4.02Å
68S95.4Very high91.8Very high0 Ų094.7 Ų94.70%044%0.444CS..EExtended strand (participates in β ladder)trans-111.1127.4173.7-164.10000110.1L81 G82 A90S68-L81 WeakPolarHBondContact O-CB 3.26Å; S68-L81 PolarHBondContact O-N 3.23Å; S68-G82 PolarHBondContact N-O 2.82Å; S68-G82 VanDerWaalsContact N-O 3.07Å; S68-G82 PolarHBondContact O-N 2.85Å; S68-A90 WeakPolarHBondContact CB-O 3.44Å; S68-A90 PolarHBondContact OG-O 2.78Å
69E94.6Very high91.8Very high42 Ų4294.6 Ų94.620%0.19644%0.443CS..EExtended strand (participates in β ladder)trans-142.8154.5176.964.6-176.3-121.600110.4G57 R59 R78 I79 H94G57-E69 PolarHBondContact O-N 2.8Å; R59-E69 IonicContact CZ-OE2 3.31Å; R59-E69 IonicContact NE-OE2 2.82Å; R59-E69 PolarHBondContact NE-OE2 2.93Å; R59-E69 IonicContact NH2-OE2 2.84Å; E69-R78 IonicContact OE1-NH1 3.43Å; E69-R78 PolarHBondContact OE1-NH1 2.84Å; E69-I79 WeakPolarHBondContact CA-O 3.26Å; E69-H94 PolarHBondContact O-CE1 3.14Å; E69-H94 VanDerWaalsContact O-CE1 3.28Å; E69-H94 PolarHBondContact O-ND1 3.35Å
70I93.9Very high91.8Very high10 Ų1097.4 Ų97.45%0.05145%0.454CS..EExtended strand (participates in β ladder)trans-127.1142.8176.2-167.8161.7000111.9I79 L81 A97 A98 V101I70-I79 HydrophobicContact CG2-CB 3.88Å; I70-I79 HydrophobicContact CG2-CD1 4.45Å; I70-I79 PolarHBondContact N-O 3.33Å; I70-I79 PolarHBondContact O-N 3.03Å; I70-L81 HydrophobicContact CB-CD1 4.38Å; I70-L81 HydrophobicContact CG2-CD1 4.44Å; I70-L81 HydrophobicContact CG2-CD2 4.1Å; I70-L81 HydrophobicContact CG2-CG 4.44Å; I70-A97 HydrophobicContact CB-CB 4.49Å; I70-A97 HydrophobicContact CD1-CB 4.05Å; I70-A97 HydrophobicContact CG2-CB 4.17Å; I70-A98 HydrophobicContact CD1-CB 4.17Å; I70-V101 HydrophobicContact CD1-CB 3.82Å; I70-V101 HydrophobicContact CD1-CG1 4.19Å; I70-V101 HydrophobicContact CD1-CG2 3.94Å; I70-V101 HydrophobicContact CG1-CG1 4.43Å; I70-V101 HydrophobicContact CG1-CG2 4.46Å; I70-V101 HydrophobicContact CG2-CG2 4.31Å
71R92.6Very high91.9Very high163 Ų16392 Ų9262%0.61543%0.427SS*.EExtended strand (participates in β ladder)trans-107.3122.9173.6-62-176.1178.8-146.47.5108.9R78R71-R78 HydrophobicContact CG-CG 4.37Å
72E87.4Confident92Very high24 Ų2485.9 Ų85.911%0.11241%0.407CS..  trans-81.6137.9173.3-49.9-169.8-153.700110R74 K75 I79 V101E72-R74 VanDerWaalsContact C-N 3.25Å; E72-R74 PolarHBondContact O-N 3.35Å; E72-K75 HydrophobicContact CB-CB 4.12Å; E72-K75 HydrophobicContact CB-CG 4.35Å; E72-K75 IonicContact OE1-NZ 3.53Å; E72-K75 PolarHBondContact OE1-NZ 3.39Å; E72-K75 WeakPolarHBondContact OE2-CD 3.38Å; E72-K75 WeakPolarHBondContact OE2-CE 3.39Å; E72-K75 WeakPolarHBondContact OE2-CG 3.5Å; E72-K75 IonicContact OE2-NZ 3.9Å; E72-K75 PolarHBondContact OE2-NZ 3.25Å; E72-I79 HydrophobicContact CG-CD1 4.45Å; E72-I79 VanDerWaalsContact OE1-CD1 3.23Å; E72-I79 WeakPolarHBondContact OE1-CD1 3.22Å; E72-V101 HydrophobicContact CB-CG1 3.8Å; E72-V101 HydrophobicContact CG-CB 4.45Å; E72-V101 HydrophobicContact CG-CG1 3.58Å; E72-V101 HydrophobicContact CG-CG2 4.01Å
73P86.1Confident92.2Very high101 Ų10184 Ų8466%0.65638%0.384SS*.SBendtrans-69.4-25.1179.727.1-34.1000112.9
74R87Confident92.5Very high244 Ų24475.2 Ų75.292%0.92135%0.351SS*.SBendtrans-90.4-21.9-178-70.1-176.9169.1176.9-3.3113.5E72E72-R74 VanDerWaalsContact C-N 3.25Å; E72-R74 PolarHBondContact O-N 3.35Å
75K87.7Confident92.6Very high98 Ų9876.8 Ų76.843%0.42635%0.353SS..  trans-112.5145-176.1-55.5-174.6-166.6144.50109.8E72 S77E72-K75 HydrophobicContact CB-CB 4.12Å; E72-K75 HydrophobicContact CB-CG 4.35Å; E72-K75 IonicContact OE1-NZ 3.53Å; E72-K75 PolarHBondContact OE1-NZ 3.39Å; E72-K75 WeakPolarHBondContact OE2-CD 3.38Å; E72-K75 WeakPolarHBondContact OE2-CE 3.39Å; E72-K75 WeakPolarHBondContact OE2-CG 3.5Å; E72-K75 IonicContact OE2-NZ 3.9Å; E72-K75 PolarHBondContact OE2-NZ 3.25Å; K75-S77 PolarHBondContact O-N 3.48Å
76K89.4Confident92.6Very high220 Ų22074.4 Ų74.496%0.95735%0.347SS*.SBendtrans-75.2-13169.7-166.1173.5178.5-178.50112.4
77S90.5Very high92.5Very high75 Ų7573.1 Ų73.152%0.52435%0.345SS..  trans-76.9153-178.6-167.60000112.3K75K75-S77 PolarHBondContact O-N 3.48Å
78R92.7Very high92.5Very high139 Ų13976.3 Ų76.353%0.52536%0.359SS..EExtended strand (participates in β ladder)trans-112.1141.4172.3-54.5-174.4-170.6-176.911.3108.5E69 R71E69-R78 IonicContact OE1-NH1 3.43Å; E69-R78 PolarHBondContact OE1-NH1 2.84Å; R71-R78 HydrophobicContact CG-CG 4.37Å
79I93.6Very high92.4Very high7 Ų778.4 Ų78.44%0.03637%0.37CS..EExtended strand (participates in β ladder)trans-103.2118.3172.6-57171.4000107.4E69 I70 E72 L81 P125E69-I79 WeakPolarHBondContact CA-O 3.26Å; I70-I79 HydrophobicContact CG2-CB 3.88Å; I70-I79 HydrophobicContact CG2-CD1 4.45Å; I70-I79 PolarHBondContact N-O 3.33Å; I70-I79 PolarHBondContact O-N 3.03Å; E72-I79 HydrophobicContact CG-CD1 4.45Å; E72-I79 VanDerWaalsContact OE1-CD1 3.23Å; E72-I79 WeakPolarHBondContact OE1-CD1 3.22Å; I79-L81 HydrophobicContact CG2-CD2 4.02Å; I79-P125 HydrophobicContact CD1-CB 4.47Å; I79-P125 HydrophobicContact CD1-CG 4.38Å; I79-P125 HydrophobicContact CG1-CB 4.41Å; I79-P125 HydrophobicContact CG1-CG 4.43Å; I79-P125 HydrophobicContact CG2-CB 4.2Å
80W94.5Very high92.4Very high145 Ų14576.4 Ų76.455%0.54936%0.36SS..EExtended strand (participates in β ladder)trans-78.4118.7169.2176.351.4000108.4G82 T83 Q129W80-G82 PolarHBondContact NE1-O 2.98Å; W80-T83 HydrophobicContact CZ2-CG2 4Å; W80-Q129 WeakPolarHBondContact O-CG 3.48Å; W80-Q129 PolarHBondContact O-NE2 2.9Å
81L95.4Very high92.5Very high12 Ų1275.9 Ų75.96%0.06336%0.358CS..EExtended strand (participates in β ladder)trans-87.6-38.4-175.7-58.1174.7000111.2S68 I70 I79 A97 V128 A132S68-L81 WeakPolarHBondContact O-CB 3.26Å; S68-L81 PolarHBondContact O-N 3.23Å; I70-L81 HydrophobicContact CB-CD1 4.38Å; I70-L81 HydrophobicContact CG2-CD1 4.44Å; I70-L81 HydrophobicContact CG2-CD2 4.1Å; I70-L81 HydrophobicContact CG2-CG 4.44Å; I79-L81 HydrophobicContact CG2-CD2 4.02Å; L81-A97 HydrophobicContact CD1-CB 3.54Å; L81-A97 HydrophobicContact CD2-CB 3.57Å; L81-A97 HydrophobicContact CG-CB 4.21Å; L81-V128 HydrophobicContact CD2-CG1 3.6Å; L81-A132 HydrophobicContact CB-CB 4.26Å; L81-A132 HydrophobicContact CD2-CB 4.32Å
82G95.7Very high92.5Very high10 Ų1068.4 Ų68.410%0.10333%0.33CS..EExtended strand (participates in β ladder)trans159.8-175.3177.700000113S68 W80S68-G82 PolarHBondContact N-O 2.82Å; S68-G82 VanDerWaalsContact N-O 3.07Å; S68-G82 PolarHBondContact O-N 2.85Å; W80-G82 PolarHBondContact NE1-O 2.98Å
83T96Very high92.9Very high75 Ų7567.3 Ų67.346%0.4632%0.324SS..EExtended strand (participates in β ladder)trans-124.2133.6171.653.50000109.2W66 V67 W80W66-T83 CarbonylContact O-C 3.48Å; W66-T83 VanDerWaalsContact O-CA 3.26Å; W66-T83 WeakPolarHBondContact O-CA 3.23Å; V67-T83 HydrophobicContact CB-CG2 4.47Å; V67-T83 HydrophobicContact CG1-CG2 4.18Å; V67-T83 HydrophobicContact CG2-CG2 4.02Å; W80-T83 HydrophobicContact CZ2-CG2 4Å
84F95Very high93.3Very high23 Ų2363.5 Ų63.510%0.10130%0.298CS..EExtended strand (participates in β ladder)trans-127.2151.9-171-56.5-80.6000110.7W66 M89 A90 A93 A136W66-F84 WeakPolarHBondContact CB-O 3.43Å; W66-F84 PolarHBondContact N-O 3.33Å; W66-F84 PolarHBondContact O-N 2.84Å; F84-M89 HydrophobicContact CB-CB 3.98Å; F84-M89 HydrophobicContact CD1-CB 4.16Å; F84-M89 HydrophobicContact CG-CB 4.22Å; F84-A90 HydrophobicContact CB-CB 4.07Å; F84-A90 VanDerWaalsContact CD2-CA 3.44Å; F84-A90 HydrophobicContact CD2-CB 3.68Å; F84-A90 HydrophobicContact CG-CB 4.2Å; F84-A93 HydrophobicContact CD2-CB 4.47Å; F84-A93 HydrophobicContact CE1-CB 4.32Å; F84-A93 HydrophobicContact CE2-CB 3.57Å; F84-A93 HydrophobicContact CZ-CB 3.48Å; F84-A93 VanDerWaalsContact CZ-CB 3.48Å; F84-A136 HydrophobicContact CD1-CB 3.8Å; F84-A136 HydrophobicContact CE1-CB 3.31Å; F84-A136 HydrophobicContact CZ-CB 4.05Å
85P93.3Very high93.7Very high79 Ų7951.9 Ų51.951%0.51325%0.254SS..SBendtrans-74.6-29.3177.829.4-33.6000112.5M89P85-M89 HydrophobicContact CG-SD 3.84Å
86T93.6Very high94Very high43 Ų4347.2 Ų47.226%0.26423%0.234SC..SBendtrans-116.1149.9-179.2700000111.5E88 M89 A90T86-E88 VanDerWaalsContact C-N 3.28Å; T86-E88 WeakPolarHBondContact CB-OE2 3.3Å; T86-E88 PolarHBondContact O-N 3.18Å; T86-M89 VanDerWaalsContact OG1-CB 3.28Å; T86-M89 WeakPolarHBondContact OG1-CB 3.39Å; T86-M89 WeakPolarHBondContact OG1-CG 3.21Å; T86-M89 PolarHBondContact OG1-N 3.07Å; T86-A90 PolarHBondContact O-N 3.28Å
87P94.1Very high94.2Very high23 Ų2336.8 Ų36.815%0.14919%0.188CC..Hα-helixtrans-66.9-31.5175.624.5-28.8000112.1Y55 W66 A90 A91Y55-P87 HydrophobicContact CD2-CB 3.8Å; Y55-P87 HydrophobicContact CE2-CB 3.88Å; Y55-P87 HydrophobicContact CE2-CG 4.29Å; W66-P87 HydrophobicContact CD2-CB 3.68Å; W66-P87 HydrophobicContact CD2-CG 4.31Å; W66-P87 HydrophobicContact CE3-CB 3.81Å; W66-P87 HydrophobicContact CG-CB 4.28Å; W66-P87 HydrophobicContact CH2-CB 3.88Å; W66-P87 HydrophobicContact CH2-CG 4.17Å; W66-P87 HydrophobicContact CZ2-CB 3.81Å; W66-P87 HydrophobicContact CZ2-CG 3.75Å; W66-P87 HydrophobicContact CZ3-CB 3.88Å; P87-A90 PolarHBondContact O-N 3.42Å; P87-A91 WeakPolarHBondContact O-CB 3.4Å; P87-A91 PolarHBondContact O-N 3.41Å
88E93.5Very high94.3Very high70 Ų7033.5 Ų33.533%0.32717%0.166SC..Hα-helixtrans-65.9-45.9179.1-61.172.9-157.800111.1Y55 T86 A90 A91 R92 F110Y55-E88 HydrophobicContact CE2-CG 4.35Å; T86-E88 VanDerWaalsContact C-N 3.28Å; T86-E88 WeakPolarHBondContact CB-OE2 3.3Å; T86-E88 PolarHBondContact O-N 3.18Å; E88-A90 VanDerWaalsContact C-N 3.31Å; E88-A90 PolarHBondContact O-N 2.87Å; E88-A91 PolarHBondContact O-N 3.01Å; E88-A91 VanDerWaalsContact O-N 3.16Å; E88-R92 PolarHBondContact O-N 2.98Å; E88-F110 HydrophobicContact CB-CZ 4.44Å
89M94.1Very high94.3Very high43 Ų4328.6 Ų28.621%0.21215%0.15CC..Hα-helixtrans-60.3-43.5175.1-75.9175.8-172.900111.1F84 P85 T86 A91 R92 A93 A136F84-M89 HydrophobicContact CB-CB 3.98Å; F84-M89 HydrophobicContact CD1-CB 4.16Å; F84-M89 HydrophobicContact CG-CB 4.22Å; P85-M89 HydrophobicContact CG-SD 3.84Å; T86-M89 VanDerWaalsContact OG1-CB 3.28Å; T86-M89 WeakPolarHBondContact OG1-CB 3.39Å; T86-M89 WeakPolarHBondContact OG1-CG 3.21Å; T86-M89 PolarHBondContact OG1-N 3.07Å; M89-A91 VanDerWaalsContact C-N 3.28Å; M89-A91 PolarHBondContact O-N 3.07Å; M89-R92 PolarHBondContact O-N 2.95Å; M89-A93 WeakPolarHBondContact O-CB 3.46Å; M89-A93 PolarHBondContact O-N 3.06Å; M89-A136 HydrophobicContact CB-CB 4.42Å
90A95.2Very high94.2Very high0 Ų030 Ų300%016%0.159CC..Hα-helixtrans-62.8-36176.900000112.6V58 W66 S68 F84 T86 P87 E88 H94V58-A90 HydrophobicContact CB-CB 4.33Å; V58-A90 HydrophobicContact CG1-CB 3.74Å; V58-A90 HydrophobicContact CG2-CB 3.67Å; W66-A90 HydrophobicContact CB-CB 4Å; S68-A90 WeakPolarHBondContact CB-O 3.44Å; S68-A90 PolarHBondContact OG-O 2.78Å; F84-A90 HydrophobicContact CB-CB 4.07Å; F84-A90 VanDerWaalsContact CD2-CA 3.44Å; F84-A90 HydrophobicContact CD2-CB 3.68Å; F84-A90 HydrophobicContact CG-CB 4.2Å; T86-A90 PolarHBondContact O-N 3.28Å; P87-A90 PolarHBondContact O-N 3.42Å; E88-A90 VanDerWaalsContact C-N 3.31Å; E88-A90 PolarHBondContact O-N 2.87Å; A90-H94 PolarHBondContact O-N 3.25Å
91A94.7Very high94Very high0 Ų024.3 Ų24.30%014%0.14CC..Hα-helixtrans-72-41.6178.600000112Y55 V58 P87 E88 M89 A93 H94 D95 N109 F110Y55-A91 HydrophobicContact CD1-CB 3.75Å; Y55-A91 HydrophobicContact CD2-CB 4.15Å; Y55-A91 HydrophobicContact CE1-CB 4.45Å; Y55-A91 HydrophobicContact CG-CB 3.57Å; V58-A91 HydrophobicContact CG2-CB 3.99Å; P87-A91 WeakPolarHBondContact O-CB 3.4Å; P87-A91 PolarHBondContact O-N 3.41Å; E88-A91 PolarHBondContact O-N 3.01Å; E88-A91 VanDerWaalsContact O-N 3.16Å; M89-A91 VanDerWaalsContact C-N 3.28Å; M89-A91 PolarHBondContact O-N 3.07Å; A91-A93 VanDerWaalsContact C-N 3.35Å; A91-A93 PolarHBondContact O-N 3.17Å; A91-H94 WeakPolarHBondContact O-CB 3.47Å; A91-H94 PolarHBondContact O-N 3.19Å; A91-H94 VanDerWaalsContact O-N 3.12Å; A91-D95 PolarHBondContact O-N 3.22Å; A91-N109 HydrophobicContact CB-CB 4.31Å; A91-F110 HydrophobicContact CB-CD2 4.47Å; A91-F110 HydrophobicContact CB-CE2 3.51Å; A91-F110 HydrophobicContact CB-CZ 4.07Å
92R93.8Very high93.7Very high6 Ų630.3 Ų30.32%0.02317%0.166CC..Hα-helixtrans-61-43.4172.6-69.6-163.9-62.5-115.33.5112.1E88 M89 H94 D95 A96 F110 M113 A135 A136 M138E88-R92 PolarHBondContact O-N 2.98Å; M89-R92 PolarHBondContact O-N 2.95Å; R92-H94 VanDerWaalsContact C-N 3.27Å; R92-H94 PolarHBondContact O-N 3.34Å; R92-D95 PolarHBondContact O-N 2.74Å; R92-A96 PolarHBondContact O-N 2.94Å; R92-A96 VanDerWaalsContact O-N 3.11Å; R92-F110 HydrophobicContact CG-CD2 3.84Å; R92-F110 HydrophobicContact CG-CE2 3.76Å; R92-M113 HydrophobicContact CG-SD 4.13Å; R92-A135 PolarHBondContact NE-O 3.48Å; R92-A135 VanDerWaalsContact NE-O 3.14Å; R92-A136 PolarHBondContact NH2-O 3.14Å; R92-M138 PolarHBondContact NE-O 3.25Å; R92-M138 PolarHBondContact NH1-O 3.49Å; R92-M138 VanDerWaalsContact NH1-O 3.1Å; R92-M138 PolarHBondContact NH2-O 3.38Å
93A94.8Very high93.4Very high0 Ų030.7 Ų30.70%017%0.169CC..Hα-helixtrans-58-40.4173.500000111.9F84 M89 A91 A97 A132 A136F84-A93 HydrophobicContact CD2-CB 4.47Å; F84-A93 HydrophobicContact CE1-CB 4.32Å; F84-A93 HydrophobicContact CE2-CB 3.57Å; F84-A93 HydrophobicContact CZ-CB 3.48Å; F84-A93 VanDerWaalsContact CZ-CB 3.48Å; M89-A93 WeakPolarHBondContact O-CB 3.46Å; M89-A93 PolarHBondContact O-N 3.06Å; A91-A93 VanDerWaalsContact C-N 3.35Å; A91-A93 PolarHBondContact O-N 3.17Å; A93-A97 PolarHBondContact O-N 2.94Å; A93-A132 HydrophobicContact CB-CB 4.03Å; A93-A136 HydrophobicContact CB-CB 4.38Å
94H95.4Very high92.8Very high21 Ų2133.6 Ų33.610%0.09719%0.19CC..Hα-helixtrans-66.6-41.5176.6-168.173.2000112.3R56 E69 A90 A91 R92 A97 A98R56-H94 PolarHBondContact O-CD2 3.25Å; R56-H94 VanDerWaalsContact O-CD2 3.24Å; E69-H94 PolarHBondContact O-CE1 3.14Å; E69-H94 VanDerWaalsContact O-CE1 3.28Å; E69-H94 PolarHBondContact O-ND1 3.35Å; A90-H94 PolarHBondContact O-N 3.25Å; A91-H94 WeakPolarHBondContact O-CB 3.47Å; A91-H94 PolarHBondContact O-N 3.19Å; A91-H94 VanDerWaalsContact O-N 3.12Å; R92-H94 VanDerWaalsContact C-N 3.27Å; R92-H94 PolarHBondContact O-N 3.34Å; H94-A97 PolarHBondContact O-N 3.05Å; H94-A98 WeakPolarHBondContact O-CB 3.47Å; H94-A98 PolarHBondContact O-N 3.34Å
95D94.3Very high92.3Very high0 Ų036.3 Ų36.30%022%0.216CC..Hα-helixtrans-64.3-42.6-178.8-73.3-8.4000111.9A91 R92 A97 A98 L99 L108 N109 F110 L117A91-D95 PolarHBondContact O-N 3.22Å; R92-D95 PolarHBondContact O-N 2.74Å; D95-A97 VanDerWaalsContact C-N 3.31Å; D95-A97 PolarHBondContact O-N 2.54Å; D95-A98 PolarHBondContact O-N 2.78Å; D95-L99 WeakPolarHBondContact O-CG 3.49Å; D95-L99 PolarHBondContact O-N 3.28Å; D95-L99 VanDerWaalsContact O-N 3.09Å; D95-L108 HydrophobicContact CB-CB 4.29Å; D95-L108 HydrophobicContact CB-CD2 4.05Å; D95-N109 VanDerWaalsContact CG-N 3.29Å; D95-N109 PolarHBondContact OD1-N 3.43Å; D95-N109 PolarHBondContact OD1-ND2 3.06Å; D95-N109 WeakPolarHBondContact OD2-CB 3.28Å; D95-N109 PolarHBondContact OD2-N 3.35Å; D95-F110 WeakPolarHBondContact OD2-CD2 3.37Å; D95-F110 PolarHBondContact OD2-N 3.38Å; D95-L117 HydrophobicContact CB-CD1 3.68Å
96A94Very high92.1Very high1 Ų133.3 Ų33.31%0.00820%0.198CC..Hα-helixtrans-59.3-42.1173.900000111.9R92 V100 A135R92-A96 PolarHBondContact O-N 2.94Å; R92-A96 VanDerWaalsContact O-N 3.11Å; A96-V100 WeakPolarHBondContact O-CG2 3.28Å; A96-A135 HydrophobicContact CB-CB 3.62Å
97A94.2Very high91.9Very high0 Ų033.2 Ų33.20%020%0.197CC..Hα-helixtrans-69.8-37.6176.200000112.9I70 L81 A93 H94 D95 L99 V100 V101 V128I70-A97 HydrophobicContact CB-CB 4.49Å; I70-A97 HydrophobicContact CD1-CB 4.05Å; I70-A97 HydrophobicContact CG2-CB 4.17Å; L81-A97 HydrophobicContact CD1-CB 3.54Å; L81-A97 HydrophobicContact CD2-CB 3.57Å; L81-A97 HydrophobicContact CG-CB 4.21Å; A93-A97 PolarHBondContact O-N 2.94Å; H94-A97 PolarHBondContact O-N 3.05Å; D95-A97 VanDerWaalsContact C-N 3.31Å; D95-A97 PolarHBondContact O-N 2.54Å; A97-L99 VanDerWaalsContact C-N 3.34Å; A97-L99 PolarHBondContact O-N 2.9Å; A97-V100 PolarHBondContact O-N 3.44Å; A97-V101 PolarHBondContact O-N 3.24Å; A97-V101 VanDerWaalsContact O-N 3.07Å; A97-V128 HydrophobicContact CB-CG1 3.59Å
98A93.5Very high91.8Very high7 Ų733.3 Ų33.36%0.05820%0.197CC..Hα-helixtrans-63.5-39.6-179.300000111.9I70 H94 D95 V100 V101 K102 A106 L108I70-A98 HydrophobicContact CD1-CB 4.17Å; H94-A98 WeakPolarHBondContact O-CB 3.47Å; H94-A98 PolarHBondContact O-N 3.34Å; D95-A98 PolarHBondContact O-N 2.78Å; A98-V100 PolarHBondContact O-N 2.84Å; A98-V101 PolarHBondContact O-N 3.22Å; A98-K102 WeakPolarHBondContact O-CA 3.47Å; A98-K102 WeakPolarHBondContact O-CB 3.39Å; A98-K102 PolarHBondContact O-N 2.65Å; A98-A106 HydrophobicContact CB-CB 4.23Å; A98-L108 HydrophobicContact CB-CD2 3.95Å
99L91.8Very high91.8Very high35 Ų3531.4 Ų31.418%0.18319%0.189CC..Hα-helixtrans-55.2-33.6175.1-75.6172.2000112.8D95 A97 G103 L108 L117D95-L99 WeakPolarHBondContact O-CG 3.49Å; D95-L99 PolarHBondContact O-N 3.28Å; D95-L99 VanDerWaalsContact O-N 3.09Å; A97-L99 VanDerWaalsContact C-N 3.34Å; A97-L99 PolarHBondContact O-N 2.9Å; L99-G103 CarbonylContact O-C 3.31Å; L99-G103 VanDerWaalsContact O-C 3.31Å; L99-G103 WeakPolarHBondContact O-CA 3.46Å; L99-G103 PolarHBondContact O-N 3.5Å; L99-G103 VanDerWaalsContact O-N 3.13Å; L99-L108 HydrophobicContact CD1-CD1 4.38Å; L99-L108 HydrophobicContact CD2-CD1 4Å; L99-L108 HydrophobicContact CD2-CD2 4.28Å; L99-L108 HydrophobicContact CG-CD1 4.16Å; L99-L108 HydrophobicContact CG-CD2 4.12Å; L99-L117 HydrophobicContact CD1-CB 4.16Å; L99-L117 HydrophobicContact CD1-CD1 3.99Å
100V91Very high91.6Very high36 Ų3630.6 Ų30.622%0.21818%0.184CC..Hα-helixtrans-85.4-48.1-175.2-1730000110.9A96 A97 A98 P120 A123 V128A96-V100 WeakPolarHBondContact O-CG2 3.28Å; A97-V100 PolarHBondContact O-N 3.44Å; A98-V100 PolarHBondContact O-N 2.84Å; V100-P120 HydrophobicContact CB-CG 4.18Å; V100-P120 HydrophobicContact CG1-CG 4.12Å; V100-P120 HydrophobicContact CG2-CG 3.05Å; V100-A123 HydrophobicContact CG1-CB 4.02Å; V100-V128 HydrophobicContact CB-CG2 4.34Å; V100-V128 HydrophobicContact CG1-CG2 3.97Å
101V90.6Very high91.3Very high27 Ų2734.8 Ų34.816%0.16421%0.211CC..Hα-helixtrans-75.3-39.1-174.1169.20000111.5I70 E72 A97 A98I70-V101 HydrophobicContact CD1-CB 3.82Å; I70-V101 HydrophobicContact CD1-CG1 4.19Å; I70-V101 HydrophobicContact CD1-CG2 3.94Å; I70-V101 HydrophobicContact CG1-CG1 4.43Å; I70-V101 HydrophobicContact CG1-CG2 4.46Å; I70-V101 HydrophobicContact CG2-CG2 4.31Å; E72-V101 HydrophobicContact CB-CG1 3.8Å; E72-V101 HydrophobicContact CG-CB 4.45Å; E72-V101 HydrophobicContact CG-CG1 3.58Å; E72-V101 HydrophobicContact CG-CG2 4.01Å; A97-V101 PolarHBondContact O-N 3.24Å; A97-V101 VanDerWaalsContact O-N 3.07Å; A98-V101 PolarHBondContact O-N 3.22Å
102K90.2Very high91Very high137 Ų13742.2 Ų42.260%0.59625%0.251SS*.THydrogen-bonded Turntrans-98.9-18.6-176.7-170.861.8170.6-179.30112.3A98 A106A98-K102 WeakPolarHBondContact O-CA 3.47Å; A98-K102 WeakPolarHBondContact O-CB 3.39Å; A98-K102 PolarHBondContact O-N 2.65Å; K102-A106 HydrophobicContact CB-CB 3.92Å; K102-A106 HydrophobicContact CG-CB 4.13Å
103G87.8Confident90.6Very high18 Ų1843.8 Ų43.819%0.18626%0.259CS..  trans85.2-168.1-176.800000112.9L99 A105 A106L99-G103 CarbonylContact O-C 3.31Å; L99-G103 VanDerWaalsContact O-C 3.31Å; L99-G103 WeakPolarHBondContact O-CA 3.46Å; L99-G103 PolarHBondContact O-N 3.5Å; L99-G103 VanDerWaalsContact O-N 3.13Å; G103-A105 PolarHBondContact O-N 3.42Å; G103-A105 VanDerWaalsContact O-N 3.11Å; G103-A106 VanDerWaalsContact O-CB 3.28Å; G103-A106 WeakPolarHBondContact O-CB 3.34Å; G103-A106 PolarHBondContact O-N 3.03Å
104P83.9Confident90.1Very high137 Ų13745.2 Ų45.289%0.8927%0.271SS*.THydrogen-bonded Turntrans-65.3-16.9-176.126.9-35.5000113.9A106P104-A106 PolarHBondContact O-N 3.11Å
105A84.3Confident89.6Confident79 Ų7948.5 Ų48.565%0.65330%0.302SS*.THydrogen-bonded Turntrans-8715.3174.800000113.2G103 V107G103-A105 PolarHBondContact O-N 3.42Å; G103-A105 VanDerWaalsContact O-N 3.11Å; A105-V107 PolarHBondContact O-N 3Å
106A89.2Confident89.2Confident17 Ų1751.6 Ų51.614%0.1433%0.327CS..  trans-63.6133.2174.800000110.8A98 K102 G103 P104 L108A98-A106 HydrophobicContact CB-CB 4.23Å; K102-A106 HydrophobicContact CB-CB 3.92Å; K102-A106 HydrophobicContact CG-CB 4.13Å; G103-A106 VanDerWaalsContact O-CB 3.28Å; G103-A106 WeakPolarHBondContact O-CB 3.34Å; G103-A106 PolarHBondContact O-N 3.03Å; P104-A106 PolarHBondContact O-N 3.11Å; A106-L108 HydrophobicContact CB-CD2 3.81Å
107V90.2Very high88.8Confident40 Ų4052 Ų5224%0.24233%0.329CS..  trans-78.9125.5163.7-179.40000106.2R45 R56 A105R45-V107 HydrophobicContact CG-CG2 4.48Å; R56-V107 PolarHBondContact NH1-O 2.98Å; A105-V107 PolarHBondContact O-N 3Å
108L92.3Very high88.3Confident25 Ų2553.3 Ų53.313%0.13134%0.338CS..  trans-108.1162.2-180-54.5-174.8000110.3D95 A98 L99 A106 A114 L117D95-L108 HydrophobicContact CB-CB 4.29Å; D95-L108 HydrophobicContact CB-CD2 4.05Å; A98-L108 HydrophobicContact CB-CD2 3.95Å; L99-L108 HydrophobicContact CD1-CD1 4.38Å; L99-L108 HydrophobicContact CD2-CD1 4Å; L99-L108 HydrophobicContact CD2-CD2 4.28Å; L99-L108 HydrophobicContact CG-CD1 4.16Å; L99-L108 HydrophobicContact CG-CD2 4.12Å; A106-L108 HydrophobicContact CB-CD2 3.81Å; L108-A114 HydrophobicContact CD1-CB 3.59Å; L108-L117 HydrophobicContact CD1-CD1 4.49Å
109N92.1Very high87.9Confident31 Ų3162.4 Ų62.417%0.16637%0.371CS..SBendtrans-76.6-40.3170.7-62.5-72.1000110.9Y55 R56 A91 D95 P111Y55-N109 HydrophobicContact CD1-CB 4.13Å; R56-N109 VanDerWaalsContact CB-OD1 3.28Å; R56-N109 WeakPolarHBondContact CB-OD1 3.45Å; R56-N109 WeakPolarHBondContact CG-OD1 2.96Å; R56-N109 PolarHBondContact N-OD1 3.12Å; R56-N109 PolarHBondContact O-ND2 3.31Å; A91-N109 HydrophobicContact CB-CB 4.31Å; D95-N109 VanDerWaalsContact CG-N 3.29Å; D95-N109 PolarHBondContact OD1-N 3.43Å; D95-N109 PolarHBondContact OD1-ND2 3.06Å; D95-N109 WeakPolarHBondContact OD2-CB 3.28Å; D95-N109 PolarHBondContact OD2-N 3.35Å; N109-P111 VanDerWaalsContact O-CD 3.3Å; N109-P111 WeakPolarHBondContact O-CD 3.09Å
110F90.5Very high87.4Confident25 Ų2561.9 Ų61.911%0.1137%0.369CS..  trans-11584.8180-54.1-72.6000110.4Y55 E88 A91 R92 D95 D112 M113Y55-F110 HydrophobicContact CD1-CZ 4.22Å; Y55-F110 AromaticContact CE1-CE1 3.98Å; Y55-F110 HydrophobicContact CE1-CE1 3.98Å; Y55-F110 AromaticContact CE1-CZ 3.64Å; Y55-F110 HydrophobicContact CE1-CZ 3.64Å; E88-F110 HydrophobicContact CB-CZ 4.44Å; A91-F110 HydrophobicContact CB-CD2 4.47Å; A91-F110 HydrophobicContact CB-CE2 3.51Å; A91-F110 HydrophobicContact CB-CZ 4.07Å; R92-F110 HydrophobicContact CG-CD2 3.84Å; R92-F110 HydrophobicContact CG-CE2 3.76Å; D95-F110 WeakPolarHBondContact OD2-CD2 3.37Å; D95-F110 PolarHBondContact OD2-N 3.38Å; F110-D112 PolarHBondContact O-N 3.4Å; F110-M113 HydrophobicContact CB-CB 4.1Å; F110-M113 HydrophobicContact CB-CG 4.15Å; F110-M113 HydrophobicContact CB-SD 4.11Å; F110-M113 HydrophobicContact CG-SD 4.33Å; F110-M113 PolarHBondContact O-N 3.16Å
111P88.1Confident86.9Confident88 Ų8865.4 Ų65.457%0.57140%0.402SS*.G310 helixtrans-60.6-32.7178.225.3-33.6000112.1N109 M113 A114N109-P111 VanDerWaalsContact O-CD 3.3Å; N109-P111 WeakPolarHBondContact O-CD 3.09Å; P111-M113 PolarHBondContact O-N 2.92Å; P111-A114 WeakPolarHBondContact O-CB 3.45Å; P111-A114 PolarHBondContact O-N 2.81Å; P111-A114 VanDerWaalsContact O-N 3.15Å
112D88.3Confident86.8Confident156 Ų15666.3 Ų66.383%0.83441%0.41SS*.G310 helixtrans-65.3-27.7-178.9-53.3-35000112.6F110F110-D112 PolarHBondContact O-N 3.4Å
113M85.3Confident86.7Confident39 Ų3962.2 Ų62.219%0.19240%0.402CS..G310 helixtrans-91.1-6.6178.6-66.2-176.5-174.300113.7R92 F110 P111 A115 A116 L117 M140R92-M113 HydrophobicContact CG-SD 4.13Å; F110-M113 HydrophobicContact CB-CB 4.1Å; F110-M113 HydrophobicContact CB-CG 4.15Å; F110-M113 HydrophobicContact CB-SD 4.11Å; F110-M113 HydrophobicContact CG-SD 4.33Å; F110-M113 PolarHBondContact O-N 3.16Å; P111-M113 PolarHBondContact O-N 2.92Å; M113-A115 PolarHBondContact O-N 3.4Å; M113-A116 PolarHBondContact O-N 2.86Å; M113-L117 HydrophobicContact CB-CG 4.47Å; M113-L117 WeakPolarHBondContact O-CG 3.2Å; M113-L117 PolarHBondContact O-N 3.21Å; M113-L117 VanDerWaalsContact O-N 3.11Å; M113-M140 HydrophobicContact CE-CB 3.46Å; M113-M140 VanDerWaalsContact CE-CB 3.46Å; M113-M140 HydrophobicContact CE-CE 4.39Å; M113-M140 HydrophobicContact CE-CG 3.52Å; M113-M140 HydrophobicContact CE-SD 3.16Å; M113-M140 WeakPolarHBondContact CE-SD 3.21Å
114A84.8Confident86.9Confident30 Ų3063.3 Ų63.325%0.24841%0.406CS..THydrogen-bonded Turntrans-53.6-33.2-172.300000113.3L108 P111L108-A114 HydrophobicContact CD1-CB 3.59Å; P111-A114 WeakPolarHBondContact O-CB 3.45Å; P111-A114 PolarHBondContact O-N 2.81Å; P111-A114 VanDerWaalsContact O-N 3.15Å
115A84.8Confident87.3Confident91 Ų9160.1 Ų60.175%0.75239%0.385SS*.THydrogen-bonded Turntrans-77.7-29.5177.800000113.8M113M113-A115 PolarHBondContact O-N 3.4Å
116A86.9Confident87.8Confident64 Ų6466 Ų6653%0.52939%0.391SS..THydrogen-bonded Turntrans-85.3-20.4-178.100000113.1M113 M138M113-A116 PolarHBondContact O-N 2.86Å; A116-M138 WeakPolarHBondContact O-CE 3.16Å
117L84.5Confident88Confident9 Ų968 Ų685%0.04740%0.399CS..SBendtrans-64.3137.6-176.2-69.7172.1000112.4D95 L99 L108 M113 R119 A135D95-L117 HydrophobicContact CB-CD1 3.68Å; L99-L117 HydrophobicContact CD1-CB 4.16Å; L99-L117 HydrophobicContact CD1-CD1 3.99Å; L108-L117 HydrophobicContact CD1-CD1 4.49Å; M113-L117 HydrophobicContact CB-CG 4.47Å; M113-L117 WeakPolarHBondContact O-CG 3.2Å; M113-L117 PolarHBondContact O-N 3.21Å; M113-L117 VanDerWaalsContact O-N 3.11Å; L117-R119 PolarHBondContact O-N 3.09Å; L117-A135 HydrophobicContact CD2-CB 3.69Å
118P84.7Confident88.2Confident28 Ų2866.1 Ų66.118%0.18239%0.387CS..PPolyproline II helixtrans-65.3122.3175.927.9-34.5000109.8P120 A131 R134 A135P118-P120 WeakPolarHBondContact O-CD 3.48Å; P118-A131 HydrophobicContact CG-CB 4.42Å; P118-A131 VanDerWaalsContact CG-O 3.31Å; P118-A131 WeakPolarHBondContact CG-O 3.45Å; P118-R134 HydrophobicContact CB-CB 4.37Å; P118-R134 HydrophobicContact CG-CB 3.81Å; P118-A135 HydrophobicContact CG-CB 4.08Å
119R83.8Confident88.3Confident199 Ų19968.3 Ų68.375%0.75140%0.397SS*.PPolyproline II helixtrans-86.9118.4174-60.3-176.1-169.4178.64.4108.7L117L117-R119 PolarHBondContact O-N 3.09Å
120P82.3Confident88.5Confident24 Ų2468.7 Ų68.716%0.15641%0.405CS..PPolyproline II helixtrans-69.9148.5173.327.4-30.2000110.4V100 P118 S122 D127 A131V100-P120 HydrophobicContact CB-CG 4.18Å; V100-P120 HydrophobicContact CG1-CG 4.12Å; V100-P120 HydrophobicContact CG2-CG 3.05Å; P118-P120 WeakPolarHBondContact O-CD 3.48Å; P120-S122 PolarHBondContact O-N 3.23Å; P120-D127 HydrophobicContact CB-CB 3.96Å; P120-A131 HydrophobicContact CB-CB 3.78Å; P120-A131 HydrophobicContact CG-CB 3.82Å
121A80.5Confident88.6Confident110 Ų11067.7 Ų67.791%0.90940%0.401SS*.SBendtrans-67.8-25-178.300000113
122S88.4Confident88.9Confident46 Ų4663.5 Ų63.532%0.32237%0.374SS..SBendtrans-142.1163.6-177.695.90000112.8P120 S124 D127P120-S122 PolarHBondContact O-N 3.23Å; S122-S124 PolarHBondContact O-N 2.94Å; S122-S124 VanDerWaalsContact OG-CB 3.26Å; S122-S124 WeakPolarHBondContact OG-CB 3.48Å; S122-S124 PolarHBondContact OG-N 3.23Å; S122-S124 PolarHBondContact OG-OG 3.46Å; S122-D127 WeakPolarHBondContact CB-OD2 3.45Å; S122-D127 PolarHBondContact OG-OD2 3.32Å
123A87.9Confident89.2Confident51 Ų5158.8 Ų58.842%0.42136%0.357SS..SBendtrans-83.719.5172.600000113.1V100V100-A123 HydrophobicContact CG1-CB 4.02Å
124S91.8Very high89.6Confident40 Ų4065 Ų6528%0.2838%0.378SS..  trans-69.1142.4172.986.10000110S122 R126 D127 V128S122-S124 PolarHBondContact O-N 2.94Å; S122-S124 VanDerWaalsContact OG-CB 3.26Å; S122-S124 WeakPolarHBondContact OG-CB 3.48Å; S122-S124 PolarHBondContact OG-N 3.23Å; S122-S124 PolarHBondContact OG-OG 3.46Å; S124-R126 PolarHBondContact O-N 3.46Å; S124-D127 PolarHBondContact O-N 3.18Å; S124-D127 WeakPolarHBondContact OG-CB 3.19Å; S124-D127 PolarHBondContact OG-N 3.13Å; S124-D127 PolarHBondContact OG-OD2 3.11Å; S124-V128 VanDerWaalsContact O-CG2 3.3Å; S124-V128 WeakPolarHBondContact O-CG2 3.3Å; S124-V128 PolarHBondContact O-N 2.87Å
125P92.9Very high90Very high70 Ų7063.6 Ų63.646%0.45537%0.366SS..Hα-helixtrans-55.6-35.9179.2-27.935.5000113.6I79 Q129I79-P125 HydrophobicContact CD1-CB 4.47Å; I79-P125 HydrophobicContact CD1-CG 4.38Å; I79-P125 HydrophobicContact CG1-CB 4.41Å; I79-P125 HydrophobicContact CG1-CG 4.43Å; I79-P125 HydrophobicContact CG2-CB 4.2Å; P125-Q129 WeakPolarHBondContact O-CB 3.37Å; P125-Q129 WeakPolarHBondContact O-CG 3.13Å; P125-Q129 PolarHBondContact O-N 3.44Å
126R94.3Very high90.4Very high203 Ų20359.6 Ų59.677%0.76633%0.333SS*.Hα-helixtrans-67-45.1-179.5-170.8179.4-175-179.40.9111.9S124 Q129 A130S124-R126 PolarHBondContact O-N 3.46Å; R126-Q129 PolarHBondContact O-N 3.42Å; R126-A130 WeakPolarHBondContact O-CB 3.37Å; R126-A130 PolarHBondContact O-N 3.28Å
127D94.4Very high90.6Very high59 Ų5959.9 Ų59.932%0.31634%0.336SS..Hα-helixtrans-69.4-39.1179.6-61-31.4000111.1P120 S122 S124 Q129 A130 A131P120-D127 HydrophobicContact CB-CB 3.96Å; S122-D127 WeakPolarHBondContact CB-OD2 3.45Å; S122-D127 PolarHBondContact OG-OD2 3.32Å; S124-D127 PolarHBondContact O-N 3.18Å; S124-D127 WeakPolarHBondContact OG-CB 3.19Å; S124-D127 PolarHBondContact OG-N 3.13Å; S124-D127 PolarHBondContact OG-OD2 3.11Å; D127-Q129 VanDerWaalsContact C-N 3.35Å; D127-Q129 PolarHBondContact O-N 3.26Å; D127-A130 PolarHBondContact O-N 2.94Å; D127-A131 WeakPolarHBondContact O-CB 3.34Å; D127-A131 PolarHBondContact O-N 3.03Å
128V93.8Very high90.6Very high0 Ų063.2 Ų63.20%035%0.352CS..Hα-helixtrans-61.2-43.8174.8173.10000110.9L81 A97 V100 S124 A132L81-V128 HydrophobicContact CD2-CG1 3.6Å; A97-V128 HydrophobicContact CB-CG1 3.59Å; V100-V128 HydrophobicContact CB-CG2 4.34Å; V100-V128 HydrophobicContact CG1-CG2 3.97Å; S124-V128 VanDerWaalsContact O-CG2 3.3Å; S124-V128 WeakPolarHBondContact O-CG2 3.3Å; S124-V128 PolarHBondContact O-N 2.87Å; V128-A132 WeakPolarHBondContact O-CB 3.44Å; V128-A132 PolarHBondContact O-N 3.03Å
129Q95.1Very high89.8Confident71 Ų7168.3 Ų68.333%0.33237%0.373SS..Hα-helixtrans-63.6-43.7174.6-76.6168.7-8.100112.2W80 P125 R126 D127 A131 A132 A133W80-Q129 WeakPolarHBondContact O-CG 3.48Å; W80-Q129 PolarHBondContact O-NE2 2.9Å; P125-Q129 WeakPolarHBondContact O-CB 3.37Å; P125-Q129 WeakPolarHBondContact O-CG 3.13Å; P125-Q129 PolarHBondContact O-N 3.44Å; R126-Q129 PolarHBondContact O-N 3.42Å; D127-Q129 VanDerWaalsContact C-N 3.35Å; D127-Q129 PolarHBondContact O-N 3.26Å; Q129-A131 PolarHBondContact O-N 3.49Å; Q129-A132 PolarHBondContact O-N 2.89Å; Q129-A133 WeakPolarHBondContact O-CB 3.38Å; Q129-A133 PolarHBondContact O-N 3.01Å
130A94.4Very high88.7Confident40 Ų4063.4 Ų63.433%0.33136%0.36SS..Hα-helixtrans-63.3-42.3178.800000112R126 D127 R134R126-A130 WeakPolarHBondContact O-CB 3.37Å; R126-A130 PolarHBondContact O-N 3.28Å; D127-A130 PolarHBondContact O-N 2.94Å; A130-R134 WeakPolarHBondContact O-CG 3.28Å; A130-R134 PolarHBondContact O-N 3.19Å; A130-R134 VanDerWaalsContact O-N 3.14Å
131A94.2Very high87.4Confident4 Ų470.2 Ų70.23%0.03339%0.39CS..Hα-helixtrans-66.7-41.3173.600000111.9P118 P120 D127 Q129 A133 R134 A135P118-A131 HydrophobicContact CG-CB 4.42Å; P118-A131 VanDerWaalsContact CG-O 3.31Å; P118-A131 WeakPolarHBondContact CG-O 3.45Å; P120-A131 HydrophobicContact CB-CB 3.78Å; P120-A131 HydrophobicContact CG-CB 3.82Å; D127-A131 WeakPolarHBondContact O-CB 3.34Å; D127-A131 PolarHBondContact O-N 3.03Å; Q129-A131 PolarHBondContact O-N 3.49Å; A131-A133 VanDerWaalsContact C-N 3.33Å; A131-A133 PolarHBondContact O-N 2.85Å; A131-R134 PolarHBondContact O-N 2.93Å; A131-A135 WeakPolarHBondContact O-CB 3.41Å; A131-A135 PolarHBondContact O-N 3.41Å
132A94.5Very high86Confident0 Ų068 Ų680%037%0.366CS..Hα-helixtrans-61.3-40.3176.600000112.3L81 A93 V128 Q129 A135 A136L81-A132 HydrophobicContact CB-CB 4.26Å; L81-A132 HydrophobicContact CD2-CB 4.32Å; A93-A132 HydrophobicContact CB-CB 4.03Å; V128-A132 WeakPolarHBondContact O-CB 3.44Å; V128-A132 PolarHBondContact O-N 3.03Å; Q129-A132 PolarHBondContact O-N 2.89Å; A132-A135 PolarHBondContact O-N 2.85Å; A132-A136 WeakPolarHBondContact O-CB 3.31Å; A132-A136 PolarHBondContact O-N 3.29Å
133A94Very high84.1Confident57 Ų5771 Ų7147%0.47139%0.393SS..Hα-helixtrans-64.7-44175.100000112Q129 A131 A136 A137Q129-A133 WeakPolarHBondContact O-CB 3.38Å; Q129-A133 PolarHBondContact O-N 3.01Å; A131-A133 VanDerWaalsContact C-N 3.33Å; A131-A133 PolarHBondContact O-N 2.85Å; A133-A136 PolarHBondContact O-N 2.91Å; A133-A137 PolarHBondContact O-N 3.48Å; A133-A137 VanDerWaalsContact O-N 3.13Å
134R93.9Very high82.3Confident170 Ų17072.5 Ų72.564%0.64241%0.406SS*.Hα-helixtrans-62.7-41.9174.9-70-178.2-137.1-1642.7111.9P118 A130 A131 A136 A137 M138P118-R134 HydrophobicContact CB-CB 4.37Å; P118-R134 HydrophobicContact CG-CB 3.81Å; A130-R134 WeakPolarHBondContact O-CG 3.28Å; A130-R134 PolarHBondContact O-N 3.19Å; A130-R134 VanDerWaalsContact O-N 3.14Å; A131-R134 PolarHBondContact O-N 2.93Å; R134-A136 VanDerWaalsContact C-N 3.34Å; R134-A137 PolarHBondContact O-N 3.04Å; R134-M138 PolarHBondContact O-N 3.5Å
135A93.6Very high80.2Confident0 Ų074.4 Ų74.40%042%0.424CS..Hα-helixtrans-64.7-36.8175.900000112.8R92 A96 L117 P118 A131 A132 A137 M138R92-A135 PolarHBondContact NE-O 3.48Å; R92-A135 VanDerWaalsContact NE-O 3.14Å; A96-A135 HydrophobicContact CB-CB 3.62Å; L117-A135 HydrophobicContact CD2-CB 3.69Å; P118-A135 HydrophobicContact CG-CB 4.08Å; A131-A135 WeakPolarHBondContact O-CB 3.41Å; A131-A135 PolarHBondContact O-N 3.41Å; A132-A135 PolarHBondContact O-N 2.85Å; A135-A137 VanDerWaalsContact C-N 3.29Å; A135-A137 PolarHBondContact O-N 2.79Å; A135-M138 PolarHBondContact O-N 3.45Å
136A93.4Very high78Confident7 Ų779.2 Ų79.26%0.05845%0.445CS..Hα-helixtrans-64-36.8174.600000111.7F84 M89 R92 A93 A132 A133 R134 M138F84-A136 HydrophobicContact CD1-CB 3.8Å; F84-A136 HydrophobicContact CE1-CB 3.31Å; F84-A136 HydrophobicContact CZ-CB 4.05Å; M89-A136 HydrophobicContact CB-CB 4.42Å; R92-A136 PolarHBondContact NH2-O 3.14Å; A93-A136 HydrophobicContact CB-CB 4.38Å; A132-A136 WeakPolarHBondContact O-CB 3.31Å; A132-A136 PolarHBondContact O-N 3.29Å; A133-A136 PolarHBondContact O-N 2.91Å; R134-A136 VanDerWaalsContact C-N 3.34Å; A136-M138 VanDerWaalsContact C-N 3.3Å; A136-M138 PolarHBondContact O-N 3.33Å
137A90.4Very high75.6Confident70 Ų7077.4 Ų77.458%0.57945%0.445SS*.THydrogen-bonded Turntrans-77.1-8.1178.600000114.7A133 R134 A135 E139A133-A137 PolarHBondContact O-N 3.48Å; A133-A137 VanDerWaalsContact O-N 3.13Å; R134-A137 PolarHBondContact O-N 3.04Å; A135-A137 VanDerWaalsContact C-N 3.29Å; A135-A137 PolarHBondContact O-N 2.79Å; A137-E139 PolarHBondContact O-N 3.13Å
138M84.5Confident73.4Confident79 Ų7981.7 Ų81.739%0.38946%0.463SS..SBendtrans-74.694.7174.5-73.8173.8153.100109.5R92 A116 R134 A135 A136 M140R92-M138 PolarHBondContact NE-O 3.25Å; R92-M138 PolarHBondContact NH1-O 3.49Å; R92-M138 VanDerWaalsContact NH1-O 3.1Å; R92-M138 PolarHBondContact NH2-O 3.38Å; A116-M138 WeakPolarHBondContact O-CE 3.16Å; R134-M138 PolarHBondContact O-N 3.5Å; A135-M138 PolarHBondContact O-N 3.45Å; A136-M138 VanDerWaalsContact C-N 3.3Å; A136-M138 PolarHBondContact O-N 3.33Å; M138-M140 PolarHBondContact O-N 3.24Å; M138-M140 VanDerWaalsContact O-N 3.14Å
139E67Low71.6Confident134 Ų13485.9 Ų85.963%0.62649%0.49SS*.  trans-53.4116.5179.5-63.9-60.3150.100111.6A137A137-E139 PolarHBondContact O-N 3.13Å
140M60.4Low69.8Low97 Ų9788.8 Ų88.848%0.47852%0.515SS..  trans-101114.2153.7-176.7-178.7-179.900102.2M113 M138 P142M113-M140 HydrophobicContact CE-CB 3.46Å; M113-M140 VanDerWaalsContact CE-CB 3.46Å; M113-M140 HydrophobicContact CE-CE 4.39Å; M113-M140 HydrophobicContact CE-CG 3.52Å; M113-M140 HydrophobicContact CE-SD 3.16Å; M113-M140 WeakPolarHBondContact CE-SD 3.21Å; M138-M140 PolarHBondContact O-N 3.24Å; M138-M140 VanDerWaalsContact O-N 3.14Å; M140-P142 VanDerWaalsContact O-CD 3.26Å; M140-P142 WeakPolarHBondContact O-CD 3.18Å
141E55Low67.3Low167 Ų16793.9 Ų93.978%0.7854%0.537SS*.  trans-31.7105.7172.6-81.5-71.212400109.2A143E141-A143 PolarHBondContact O-N 2.86Å; E141-A143 VanDerWaalsContact O-N 3.09Å
142P52.9Low65Low63 Ų6396.4 Ų96.441%0.40956%0.564SS.*  trans-67.7117.8-177.324.8-30.9000106.4M140 A144 A145M140-P142 VanDerWaalsContact O-CD 3.26Å; M140-P142 WeakPolarHBondContact O-CD 3.18Å; P142-A144 PolarHBondContact O-N 3.29Å; P142-A145 HydrophobicContact CG-CB 4.04Å; P142-A145 PolarHBondContact O-N 3.14Å; P142-A145 VanDerWaalsContact O-N 3.09Å
143A48.6Very low62.8Low108 Ų108102.5 Ų102.589%0.89360%0.603SS**THydrogen-bonded Turntrans-56.2-6.5171.800000113.2E141E141-A143 PolarHBondContact O-N 2.86Å; E141-A143 VanDerWaalsContact O-N 3.09Å
144A49.6Very low60.2Low84 Ų84104.3 Ų104.369%0.69462%0.618SS**THydrogen-bonded Turntrans-96-3.3179.200000115.6P142 L146P142-A144 PolarHBondContact O-N 3.29Å; A144-L146 PolarHBondContact O-N 3.26Å
145A47.6Very low57.9Low79 Ų79103.2 Ų103.265%0.65363%0.625SS**THydrogen-bonded Turntrans-8211.3179.500000115P142P142-A145 HydrophobicContact CG-CB 4.04Å; P142-A145 PolarHBondContact O-N 3.14Å; P142-A145 VanDerWaalsContact O-N 3.09Å
146L45.7Very low55.8Low172 Ų172111.8 Ų111.890%0.90167%0.665SS**THydrogen-bonded Turntrans-94.723174.1-77.4173.9000114.2A144A144-L146 PolarHBondContact O-N 3.26Å
147H44.6Very low53.4Low164 Ų164115.8 Ų115.876%0.75970%0.698SS**SBendtrans-135115.8178.2-157.377.7000112.5
148E47.3Very low51.4Low149 Ų149117 Ų11770%0.69671%0.709SS**  trans76.896.8166.6-69.6-98.895.800118.4
149P57Low49.6Very low88 Ų88117.5 Ų117.557%0.57173%0.725SS**  trans-62.8151.1153.130.2-33.9000109.9D151P149-D151 VanDerWaalsContact C-N 3.3Å; P149-D151 PolarHBondContact O-N 3.47Å
150P56.7Low48.6Very low132 Ų132119.6 Ų119.686%0.85774%0.74SS**  trans-72.187.5171.830.7-32.8000109.5G152P150-G152 PolarHBondContact O-N 3.36Å
151D41.8Very low48.1Very low147 Ų147123.8 Ų123.879%0.78676%0.758SS**  trans-72.676.8163-78.4-45000108.9P149P149-D151 VanDerWaalsContact C-N 3.3Å; P149-D151 PolarHBondContact O-N 3.47Å
152G45.7Very low47.8Very low58 Ų58124.7 Ų124.760%0.59877%0.765SS**  trans-111.8121.9165.600000109.1P150P150-G152 PolarHBondContact O-N 3.36Å
153P48.5Very low47.7Very low127 Ų127129.8 Ų129.883%0.82578%0.783SS**  trans-68.9136.8-172.828.2-33.1000111.2D155P153-D155 PolarHBondContact O-N 3.29Å; P153-D155 VanDerWaalsContact O-N 3.17Å
154A39.7Very low47.2Very low95 Ų95131.1 Ų131.179%0.78578%0.782SS**  trans-64.4105.8170.500000110
155D46.8Very low46.7Very low148 Ų148131.6 Ų131.679%0.79179%0.786SS**  trans-154.6137.5156.9-91.1-46.5000111.1P153P153-D155 PolarHBondContact O-N 3.29Å; P153-D155 VanDerWaalsContact O-N 3.17Å
156E47.7Very low46.1Very low179 Ų179132.7 Ų132.784%0.83680%0.796SS**  trans66.999.8157-87.9179.377.600121.4
157A43.2Very low45.6Very low91 Ų91129.4 Ų129.475%0.75279%0.793SS**  88.1139.7109.700000120
158A49Very low45.5Very low97 Ų97125.5 Ų125.580%0.80279%0.789SS**  trans92.3101.7149.800000118.3
159A47.3Very low46.1Very low89 Ų89124.4 Ų124.474%0.73680%0.795SS**  92.794.9124.400000118.4Q161A159-Q161 PolarHBondContact O-N 3.23Å
160L46.5Very low45.5Very low178 Ų178125.9 Ų125.993%0.93281%0.805SS**  2194.6126.8-69.7163.8000115.9
161Q49.7Very low44.5Very low185 Ų185125 Ų12586%0.86481%0.808SS**  trans-145.9115.4153.1-131.816893.100110.5A159A159-Q161 PolarHBondContact O-N 3.23Å
162M47.5Very low44.2Very low186 Ų186121.2 Ų121.292%0.91680%0.804SS**  trans-90.399.4-175.1-174.5120.768.900109.1
163Q52.1Low43.6Very low169 Ų169121.9 Ų121.979%0.7981%0.811SS**  trans-153.1126.7163.1-68.3-166.5-27.600110.3
164P38.3Very low43.3Very low136 Ų136125 Ų12588%0.88382%0.815SS**  trans-92.7118.617033.4-24.8000109.1
165A37.3Very low43.4Very low94 Ų94128.8 Ų128.878%0.77782%0.816SS**  trans-136.9130.2173.600000110.8
166A35.9Very low42.9Very low103 Ų103130.8 Ų130.885%0.85182%0.821SS**  trans74.672.9167.900000117.1A168A166-A168 PolarHBondContact O-N 3.28Å
167A34.4Very low42.9Very low102 Ų102127.8 Ų127.884%0.84381%0.81SS**PPolyproline II helixtrans-62.7125.9162.300000111.5
168A44.1Very low43.4Very low83 Ų83132.7 Ų132.769%0.68682%0.818SS**PPolyproline II helixtrans-60.9144.4160.800000110.7A166A166-A168 PolarHBondContact O-N 3.28Å
169P60.1Low43.6Very low125 Ų125136.6 Ų136.681%0.81282%0.82SS**PPolyproline II helixtrans-79.4127.7164.630.1-29.4000109.7
170P44.3Very low43.7Very low120 Ų120140.9 Ų140.978%0.77983%0.829SS**PPolyproline II helixtrans-78146.8173.131.6-32.2000111.2G172P170-G172 PolarHBondContact O-N 3Å
171A34.6Very low43.9Very low112 Ų112140.9 Ų140.993%0.92683%0.825SS**PPolyproline II helixtrans-63.3122.9163.900000110.5
172G35.4Very low44.1Very low68 Ų68136.3 Ų136.370%0.70182%0.818SS**  trans-164.4118.9164.300000104.4P170P170-G172 PolarHBondContact O-N 3Å
173G32.5Very low44.3Very low73 Ų73135.1 Ų135.175%0.75381%0.814SS**  86.5113.456.500000106.9
174Q42.5Very low44.6Very low191 Ų191133 Ų13389%0.89381%0.813SS**  trans93.3114.2173.4-46.3-159.4-79.600116.7Q176Q174-Q176 PolarHBondContact O-N 3.15Å
175Q41.5Very low45.7Very low175 Ų175134 Ų13482%0.81881%0.805SS**  trans-48.6116.8165.5-72.1158.1-103.900109.9D177Q175-D177 VanDerWaalsContact C-N 3.3Å; Q175-D177 PolarHBondContact O-N 3Å
176Q37Very low46.6Very low190 Ų190136.4 Ų136.489%0.88880%0.804SS**  trans-83.383157.1-69.7169.10.400106.5Q174Q174-Q176 PolarHBondContact O-N 3.15Å
177D48.3Very low47.8Very low116 Ų116136.6 Ų136.662%0.6280%0.797SS**  trans-85.1151142.1-65.2-58.2000104.9Q175Q175-D177 VanDerWaalsContact C-N 3.3Å; Q175-D177 PolarHBondContact O-N 3Å
178E54.3Low48.7Very low195 Ų195141 Ų14191%0.91179%0.792SS**SBendtrans69.262.417046.8-17371.500119.8
179E52.5Low49.1Very low179 Ų179145.4 Ų145.484%0.83680%0.803SS**  trans-162.169.7144.1-147.3177.1115.700112.5
180L50.2Low48.4Very low179 Ų179144.3 Ų144.394%0.93779%0.79SS**  trans-97.757.3167.9-75.5170.1000109.9
181E48.8Very low48.6Very low178 Ų178147.2 Ų147.283%0.83279%0.793SS**  trans-140.965.8176.2-67.4-169.2-171.700111.8
182A53.9Low49.4Very low89 Ų89149.5 Ų149.574%0.73679%0.79SS**  trans-148.663.8162.900000109.7V184A182-V184 VanDerWaalsContact C-N 3.32Å; A182-V184 PolarHBondContact O-N 3.1Å
183I53.5Low49.8Very low160 Ų160152.9 Ų152.982%0.82180%0.801SS**  trans-66.899.2160.6-60.6170.2000105.4E185I183-E185 PolarHBondContact O-N 3.14Å
184V57.4Low50.4Low126 Ų126153.2 Ų153.276%0.76480%0.797SS**  trans-66.896.4157.6175.60000105.4A182 L186A182-V184 VanDerWaalsContact C-N 3.32Å; A182-V184 PolarHBondContact O-N 3.1Å; V184-L186 PolarHBondContact O-N 3.05Å
185E60.4Low50.2Low156 Ų156150.8 Ų150.873%0.72980%0.795SS**  trans-53.397.7173.9-171.4171.6-173.600108.6I183I183-E185 PolarHBondContact O-N 3.14Å
186L57.9Low50.4Low144 Ų144146.7 Ų146.775%0.75479%0.791SS**  trans-62.7133.3167.4-70.9173.9000107.3V184 R188V184-L186 PolarHBondContact O-N 3.05Å; L186-R188 PolarHBondContact O-N 3.11Å; L186-R188 VanDerWaalsContact O-N 3.14Å
187P60.7Low50.8Low107 Ų107143.2 Ų143.270%0.69578%0.783SS**  trans-55.5125.6174.923.1-32000108.7L189P187-L189 PolarHBondContact O-N 2.85Å; P187-L189 VanDerWaalsContact O-N 3.12Å
188R52.7Low50.9Low195 Ų195145.5 Ų145.574%0.73679%0.794SS**  trans-56.1114.5172.2-67.7-172.6-178170.22.4108L186 D190L186-R188 PolarHBondContact O-N 3.11Å; L186-R188 VanDerWaalsContact O-N 3.14Å; R188-D190 PolarHBondContact O-N 3.05Å; R188-D190 VanDerWaalsContact O-N 3.16Å
189L52.8Low50.3Low176 Ų176139.9 Ų139.992%0.92179%0.789SS**  trans-87.161.3168.9-70.1176.9000108.2P187P187-L189 PolarHBondContact O-N 2.85Å; P187-L189 VanDerWaalsContact O-N 3.12Å
190D46.2Very low50.2Low102 Ų102135.7 Ų135.755%0.54579%0.785SS.*  trans-139.7141.6165.934.6-82.3000104.6R188R188-D190 PolarHBondContact O-N 3.05Å; R188-D190 VanDerWaalsContact O-N 3.16Å
191E48.7Very low50.7Low180 Ų180133.4 Ų133.484%0.84178%0.778SS**  trans94.961.1-175.3-44.6-162.7117.100116.8
192D49.9Very low51Low161 Ų161130.7 Ų130.786%0.86178%0.776SS**  trans-148.658.1141.8-87.2-45.6000109.8A194D192-A194 PolarHBondContact O-N 3.35Å; D192-A194 VanDerWaalsContact O-N 3.1Å
193C43.3Very low50.9Low139 Ų139132.7 Ų132.794%0.93978%0.783SS**  trans-80.765.4159.8-156.10000107.7V195C193-V195 PolarHBondContact O-N 3.44Å
194A45.3Very low50.8Low80 Ų80133 Ų13366%0.66179%0.786SS**  trans-82.3101.2177.700000109.2D192 A196D192-A194 PolarHBondContact O-N 3.35Å; D192-A194 VanDerWaalsContact O-N 3.1Å; A194-A196 PolarHBondContact O-N 3.29Å
195V39.1Very low50.4Low139 Ų139132 Ų13284%0.84278%0.784SS**  trans-58.9100.8163.161.70000109.2C193C193-V195 PolarHBondContact O-N 3.44Å
196A45.2Very low50Low90 Ų90129.9 Ų129.974%0.74479%0.786SS**  trans-131.585.9167.300000108.6A194 L198A194-A196 PolarHBondContact O-N 3.29Å; A196-L198 PolarHBondContact O-N 3.09Å
197T46.2Very low50.3Low116 Ų116128.1 Ų128.171%0.71279%0.786SS**  trans-42.5126.3154-56.20000109.4
198L48.9Very low50.1Low165 Ų165132.1 Ų132.186%0.86479%0.793SS**  trans143.2104.9139-72.4173.2000111.3A196A196-L198 PolarHBondContact O-N 3.09Å
199G43.4Very low50.2Low77 Ų77131.1 Ų131.179%0.79480%0.797SS**  trans90124.2141.300000118.3
200A50.1Low50.1Low91 Ų91129.9 Ų129.975%0.75279%0.791SS**  trans85.7102.1147.900000119.8
201T59.4Low50.5Low131 Ų131131 Ų13180%0.80480%0.801SS**  trans62.3114.9141.352.40000120.5
202P56.2Low50.7Low121 Ų121129.2 Ų129.279%0.78680%0.797SS**  trans-84.1117.9164.532.6-29000111L204P202-L204 PolarHBondContact O-N 2.8Å
203C52.3Low51.1Low131 Ų131125.7 Ų125.789%0.88579%0.789SS**  trans-84.198.1164.539.10000109.5
204L50.4Low52Low167 Ų167123.8 Ų123.887%0.87478%0.776SS**  trans-79.8114.5164.6-65.5164.8000108.3P202P202-L204 PolarHBondContact O-N 2.8Å
205S50.1Low52.7Low105 Ų105124.1 Ų124.173%0.73478%0.778SS**  trans175.3108.7148.2-175.50000110
206S51.6Low53.6Low110 Ų110123 Ų12377%0.76977%0.774SS**  trans-150.8105.4146.2-83.70000107.8
207S64.1Low54.8Low108 Ų108127.4 Ų127.476%0.75577%0.772SS**  trans-60.1131.1175.3-71.80000110.9
208F56.6Low55.6Low190 Ų190131.7 Ų131.783%0.83378%0.775SS**  trans-129.5127.1148.736.8-91.4000106.6D210F208-D210 PolarHBondContact O-N 3.09Å
209H54.1Low56.1Low175 Ų175130.5 Ų130.581%0.8177%0.774SS**  trans-62.3118.8-168.6-71.3-86.7000111.9V211H209-V211 PolarHBondContact O-N 2.93Å
210D50.2Low56.7Low149 Ų149133.7 Ų133.780%0.79777%0.773SS**  trans-74.2107.5156.4-167.1-102000107.4F208 L212F208-D210 PolarHBondContact O-N 3.09Å; D210-L212 PolarHBondContact O-N 2.87Å
211V55.8Low56.9Low126 Ų126136.8 Ų136.876%0.76478%0.777SS**  trans-90.895169.6170.20000107.4H209 A213H209-V211 PolarHBondContact O-N 2.93Å; V211-A213 PolarHBondContact O-N 3.17Å
212L52.5Low56.7Low143 Ų143134.5 Ų134.575%0.74977%0.771SS**  trans-55.4112.4162.3-176.375.5000110D210D210-L212 PolarHBondContact O-N 2.87Å
213A57.5Low56.8Low86 Ų86133.2 Ų133.271%0.71177%0.771SS**  trans-146.988.1158.500000110.1V211V211-A213 PolarHBondContact O-N 3.17Å
214P63.3Low56.7Low100 Ų100130.6 Ų130.665%0.64977%0.766SS**  trans-78.411515230.4-26.9000107.5P216P214-P216 VanDerWaalsContact O-CD 3.27Å; P214-P216 WeakPolarHBondContact O-CD 3.26Å
215A59.8Low56.7Low87 Ų87133.2 Ų133.272%0.71977%0.766SS**  trans-76.4123.416700000109.4
216P58.8Low56.9Low116 Ų116133.4 Ų133.475%0.75376%0.762SS**  trans-113.7122.3169.232.4-15.7000110P214P214-P216 VanDerWaalsContact O-CD 3.27Å; P214-P216 WeakPolarHBondContact O-CD 3.26Å
217W69.6Low56.7Low182 Ų182132.4 Ų132.469%0.68976%0.761SS**  trans-166.172.9163.954.4-82.4000113.9
218W63.6Low56Low205 Ų205131.8 Ų131.878%0.77776%0.762SS**  trans-159.588.8141.314.274.2000105.7
219V58.7Low56Low140 Ų140126.5 Ų126.585%0.84875%0.754SS**  81.2105.696.1170.40000110.7
220D56.5Low56Low144 Ų144126.7 Ų126.777%0.7775%0.754SS**  trans-30.1135.9153.1-86.5-103.6000114.1
221D53.7Low56Low157 Ų157126.8 Ų126.884%0.8476%0.755SS**  -153.4133108.9-165.3-109.9000109.9
222A55.4Low56.1Low82 Ų82127 Ų12768%0.67876%0.756SS**  trans-110.8115.9-173.800000109.7
223A57.6Low56.2Low95 Ų95127.3 Ų127.379%0.78576%0.759SS**  trans178.3120.815300000105.4
224G51.4Low56Low76 Ų76129.8 Ų129.878%0.78476%0.759SS**  98.5126.657.700000108.7
225Y50.8Low55.4Low222 Ų222134 Ų13487%0.87177%0.768SS**  trans102101.3158.3-121.1-103.5000120.9
226V53.4Low55Low108 Ų108133 Ų13366%0.65577%0.767SS**  59.4127.6124.8-1690000122
227A47.6Very low55Low90 Ų90135.7 Ų135.774%0.74477%0.774SS**  trans-17.3169.4152.300000122.1
228A49.1Very low54.3Low94 Ų94134.6 Ų134.678%0.77778%0.781SS**  trans96.2103.817300000112.6
229A56.1Low53.9Low80 Ų80128.2 Ų128.266%0.66178%0.779SS**  67.5133.378.100000113.1
230H55.1Low53.8Low178 Ų178128.9 Ų128.982%0.82478%0.778SS**  trans8798.8170.1-54.6-84.6000117.3
231D49.9Very low54.2Low152 Ų152130.5 Ų130.581%0.81378%0.78SS**  14.4106.6114.7-136.5-87000115.2
232V57.8Low54.2Low130 Ų130126.8 Ų126.879%0.78878%0.779SS**  trans178.9149.6131.5-90.70000110.5
233D54Low54.7Low149 Ų149134.7 Ų134.780%0.79779%0.792SS**  trans-38.4165178.3-64.4-88.4000119.2
234L53.6Low54.6Low139 Ų139134.2 Ų134.273%0.72879%0.788SS**  trans111.9139.4132.8-154.863.7000115.8
235F51.5Low54.9Low187 Ų187139.4 Ų139.482%0.8279%0.792SS**  trans94.997.7173.5-59.3-76.6000116.8
236G49.9Very low55.1Low68 Ų68134 Ų13470%0.70179%0.786SS**  trans-71.3155.6153.600000111.5
237L59.1Low55.5Low172 Ų172136.3 Ų136.390%0.90180%0.8SS**  trans-143.1136154.2-77.8179.3000108.3
238D55.6Low55.6Low159 Ų159135.7 Ų135.785%0.8580%0.802SS**  trans-53.4150.8-179.6-65.4-80.4000114.6
239G55.7Low56.1Low70 Ų70136.3 Ų136.372%0.72281%0.808SS**  trans-161.255.7174.700000111.6H241G239-H241 PolarHBondContact O-N 3.28Å
240D57Low56.6Low155 Ų155140.3 Ų140.383%0.82982%0.817SS**  trans-69.5113.3166.4-100.7-43.1000109.6
241H64.1Low56.8Low178 Ų178139 Ų13982%0.82482%0.816SS**  trans-119.597.2166.5-75.58.9000109.4G239G239-H241 PolarHBondContact O-N 3.28Å
242G54.2Low57.5Low79 Ų79142.6 Ų142.681%0.81482%0.818SS**  trans-69.9124.6169.800000111.2
243W64.3Low58.1Low248 Ų248143.1 Ų143.194%0.93982%0.816SS**  trans-10189.9168.559-62000107.3
244A57.3Low58.7Low85 Ų85147.9 Ų147.970%0.70284%0.84SS**  trans-142.1140.1168.900000109.1
245Q56.7Low58.9Low185 Ų185148.3 Ų148.386%0.86485%0.846SS**  trans107.6123.5162.2-58.3-17475.400117.8
246S55.5Low59.3Low109 Ų109146.3 Ų146.376%0.76285%0.847SS**  trans84.391.2134.6-69.70000119.7
247V62.4Low59.8Low155 Ų155150.6 Ų150.694%0.93986%0.855SS**SBendtrans-143.4130.8133.2-80.80000106.2
248G48.5Very low59.9Low77 Ų77149.4 Ų149.479%0.79485%0.853SS**  cis-161.3130.4-15.800000104.7
249A60.1Low60.1Low108 Ų108148.8 Ų148.889%0.89385%0.853SS**  trans-112.399.1168.900000106.3
250L66.8Low60.4Low163 Ų163154 Ų15485%0.85386%0.862SS**  trans-96120.1168.3-96.2148.3000107.8
251L58.4Low60.7Low152 Ų152153.9 Ų153.980%0.79686%0.864SS**  trans27108.9139.6-103.761.9000115.5
252W65.4Low60.4Low226 Ų226152.1 Ų152.186%0.85687%0.867SS**  36.1115.970.8-81.468.1000115.7
253N69.3Low60.9Low142 Ų142158.2 Ų158.276%0.75987%0.871SS**  trans68.592.1154.2-88.1-24000118.9
254L66.7Low60.6Low248 Ų248150 Ų150100%1.29887%0.865SS**  -1530109-159.666000108.9

Retrieved 254 of 254 residues in 46.7 ms (Link to these results)