A0A087XC33_POEFO Loading...

Paraspeckle component 1

AlphaFold DB , UniProt , Accession A0A087XC33, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 512 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
1M40.6Very low37Very low233 Ų233154.5 Ų154.5100%1.14886%0.856SS**  0136.20-70.5171.8169.200107.7
2H37.6Very low37.6Very low188 Ų188152.3 Ų152.387%0.8785%0.854SS**  trans36.2109.9169.9-61.794.6000117.9
3Q36.2Very low37.5Very low184 Ų184154.7 Ų154.786%0.8685%0.854SS**  cis76.392.133.3-148.2-171.9100.100116.3
4A39.8Very low39.1Very low89 Ų89152.1 Ų152.174%0.73685%0.848SS**  trans50.4132.2135.700000124.4
5R34.9Very low38.6Very low231 Ų231146.7 Ų146.787%0.87284%0.84SS**  trans151.5155.3135.9-89.8178.6172.5-172.4-1.5110.8
6M37.1Very low38.5Very low149 Ų149151.2 Ų151.273%0.73484%0.839SS**  cis-168.5151.8-29.9-120.6-173.3178.500108.1
7L38.8Very low38.2Very low166 Ų166155.8 Ų155.887%0.86984%0.841SS**  trans39.6135.5147.9-57.9172.5000122.3
8G31.4Very low37.9Very low82 Ų82150.7 Ų150.785%0.84583%0.83SS**  trans175.3109.7158.300000113.7
9A37.7Very low37.8Very low97 Ų97149.6 Ų149.680%0.80283%0.829SS**  trans-112.2147173.900000110.6
10N34Very low37.5Very low173 Ų173150.1 Ų150.193%0.92583%0.83SS**  trans-167.8147.4150.2-111.9-21.8000113.6
11S39.3Very low37.6Very low108 Ų108148.3 Ų148.376%0.75583%0.828SS**  trans-79.2179.1166.9-51.50000111.3
12P43.6Very low38.1Very low128 Ų128143 Ų14383%0.83181%0.811SS**  -152.4162.79738.1-20000118.5
13Q36.1Very low38Very low183 Ų183138.8 Ų138.886%0.85581%0.808SS**  trans-150.9177.4155.9-100.8-153.61800105.6
14P59.8Low38Very low119 Ų119135.6 Ų135.677%0.77381%0.807SS**  cis-138.2-171.4-22.933-11.4000114.3
15G32.6Very low37.6Very low71 Ų71136.8 Ų136.873%0.73281%0.81SS**  trans111.2167.1155.100000117.2
16R36.9Very low37.5Very low218 Ų218132.5 Ų132.582%0.82380%0.799SS**  cis-168.4149.5-15.2-106.2-171.2-177.6-146.22110
17R32.9Very low38.1Very low230 Ų230131.2 Ų131.287%0.86880%0.802SS**  trans37.9145.1149.6-67-174177-171.1-2.6124.2
18G32.3Very low38Very low63 Ų63128.4 Ų128.465%0.64979%0.792SS**  trans14095.4147.700000114.8
19T37.3Very low39.2Very low130 Ų130130.2 Ų130.280%0.79879%0.789SS**  71.5113.795.654.90000117
20D31.4Very low39.3Very low159 Ų159130.1 Ų130.185%0.8579%0.788SS**  174.7164.9119-87.6-16.6000113.8
21S38.8Very low39.4Very low114 Ų114128.1 Ų128.180%0.79778%0.777SS**  trans-141.5160.8174.6-58.60000109
22P51.7Low39.1Very low121 Ų121132.3 Ų132.379%0.78678%0.782SS**  -158.3166.398.539.2-20.2000118.1
23A36Very low38.4Very low99 Ų99129.7 Ų129.782%0.81878%0.779SS**  trans55.1146.3146.200000120.8
24S35.4Very low38.4Very low118 Ų118126.7 Ų126.783%0.82578%0.778SS**  cis-158.4-171.7-1.654.30000107.8
25S32.6Very low37.7Very low114 Ų114127 Ų12780%0.79778%0.78SS**  cis-150.2-162.212.670.10000112.6
26E31.8Very low37.7Very low140 Ų140128 Ų12865%0.65478%0.781SS**  trans-120.2179.6-176.7-130.3-165.3134.500111T28E26-T28 WeakPolarHBondContact OE1-CG2 3.14Å; E26-T28 PolarHBondContact OE1-OG1 2.66Å
27P49.1Very low38.8Very low123 Ų123123.2 Ų123.280%0.79978%0.778SS**  cis-142171.649.938.5-17.2000118.8
28T38.5Very low39.3Very low106 Ų106118.5 Ų118.565%0.6578%0.777SS**  trans-108.4-177.817852.40000112.6E26E26-T28 WeakPolarHBondContact OE1-CG2 3.14Å; E26-T28 PolarHBondContact OE1-OG1 2.66Å
29P55.4Low39.2Very low120 Ų120123.9 Ų123.978%0.77979%0.785SS**  -154.8147.786.538-17.5000119.6
30A39.8Very low38.9Very low95 Ų95125.6 Ų125.679%0.78578%0.784SS**  trans59.5152.3144.400000121.6
31N35.6Very low38.8Very low131 Ų131126.5 Ų126.570%0.70178%0.784SS**  cis-159.7146.623.1-159.511.2000114.2
32K34.1Very low38.5Very low196 Ų196126.5 Ų126.585%0.85278%0.784SS**  trans20.2146.1156.7-67.6165.5-168.7-178.60122.6
33G29.4Very low37.9Very low74 Ų74126.6 Ų126.676%0.76378%0.784SS**  cis177.8-179.63.300000114.7
34S35.7Very low37.6Very low119 Ų119126.3 Ų126.383%0.83278%0.782SS**  trans-117.3177.1180-45.20000111.1
35P44Very low37.3Very low127 Ų127125.4 Ų125.483%0.82578%0.781SS**  -150.4-178.381.839.2-19.3000116.1
36A32.7Very low37.2Very low90 Ų90129.6 Ų129.674%0.74479%0.788SS**  trans-124.8-155.8171.500000110.7
37P60.6Low37.1Very low118 Ų118132 Ų13277%0.76680%0.8SS**  -103.2-172-11041.5-28.2000114.3
38P43.2Very low36.1Very low131 Ų131131.9 Ų131.985%0.85180%0.802SS**  trans-145.8-177.6132.936.4-19.1000116.2
39Q30.3Very low35.7Very low176 Ų176136.4 Ų136.482%0.82282%0.815SS**  trans-108.9160.4-170.6-56.3168.4-46.600114.3
40Q31.3Very low34.4Very low166 Ų166134.2 Ų134.278%0.77682%0.815SS**  trans71.6148.4137.5-95.5-172.54.800124.9
41Q28.5Very low33.9Very low178 Ų178135 Ų13583%0.83282%0.821SS**  trans91.8135.9157.9-71.7175.522.700121.2
42S32.8Very low33.7Very low114 Ų114133.5 Ų133.580%0.79783%0.827SS**  trans-94.6170.4-179.1-39.10000112
43P39.3Very low33.5Very low123 Ų123133.4 Ų133.480%0.79983%0.83SS**  -155.8165.4103.539.1-20.8000118.6
44A28.6Very low33.7Very low93 Ų93139 Ų13977%0.76984%0.836SS**  trans56.3109.4141.600000124.5
45A30.9Very low33.5Very low99 Ų99139.9 Ų139.982%0.81884%0.836SS**  44126.3121.200000123.9
46E29.6Very low32.8Very low202 Ų202137.7 Ų137.794%0.94484%0.837SS**  -156.4168.9122-120.1177.3165.400111.8
47Q29.1Very low32.8Very low191 Ų191142.9 Ų142.989%0.89385%0.846SS**  trans-109.7152.6-160.1-61.9170.9-20.400114.9
48S29.6Very low31.5Very low120 Ų120139.9 Ų139.984%0.83984%0.836SS**  trans-156131.514564.20000111.4
49E29.8Very low31.5Very low201 Ų201139.8 Ų139.894%0.93984%0.836SS**  trans-75.8159.6-177.1-57.4173.8122.800113.3
50G28.3Very low31.8Very low74 Ų74137.1 Ų137.176%0.76384%0.836SS**  trans174.372.2172.200000118.2
51A29.6Very low32.1Very low111 Ų111138 Ų13892%0.91784%0.838SS**  trans61.8146.2159.400000119.7
52A30.3Very low32.5Very low100 Ų100138.1 Ų138.183%0.82684%0.841SS**  trans-104.9147.4-178.900000112
53E30Very low33Very low194 Ų194138.4 Ų138.491%0.90784%0.837SS**  trans-147.5123.6149.8-131.2174.5-167.100109.4
54E34.2Very low33.6Very low193 Ų193138.3 Ų138.390%0.90283%0.829SS**  trans-76127.7177.8-68-179.412600110.4
55T30.1Very low34.8Very low136 Ų136139.3 Ų139.383%0.83482%0.822SS**  trans-131124.4156.745.10000109.2
56G30.3Very low36.2Very low81 Ų81138.8 Ų138.884%0.83581%0.805SS**  trans-74.4137-165.500000114.2G58G56-G58 PolarHBondContact O-N 3.1Å; G56-G58 VanDerWaalsContact O-N 3.12Å
57E31.8Very low37.5Very low199 Ų199133.3 Ų133.393%0.9379%0.794SS**  trans-69.1104.2170.6-67.7-172.8128.700110.8
58G34Very low39.1Very low55 Ų55128.2 Ų128.257%0.56778%0.779SS**  trans-70.6150.116000000110.7G56 S60G56-G58 PolarHBondContact O-N 3.1Å; G56-G58 VanDerWaalsContact O-N 3.12Å; G58-S60 PolarHBondContact O-N 3.45Å
59P42.8Very low40.8Very low129 Ų129126 Ų12684%0.83876%0.755SS**  trans-63.4133.5-176.326.7-34.5000111K61P59-K61 PolarHBondContact O-N 3.29Å
60S37Very low42.9Very low120 Ų120123.2 Ų123.284%0.83974%0.736SS**  trans-58.796.9-176.5-42.50000111.5G58 M62G58-S60 PolarHBondContact O-N 3.45Å; S60-M62 PolarHBondContact O-N 2.82Å
61K37.9Very low45.3Very low186 Ų186125.3 Ų125.381%0.80972%0.723SS**  trans-67.1104.1177.5-166178.2-172.6-178.30108.4P59 T63P59-K61 PolarHBondContact O-N 3.29Å; K61-T63 VanDerWaalsContact C-N 3.25Å; K61-T63 HydrophobicContact CG-CG2 4.43Å; K61-T63 PolarHBondContact O-N 3.26Å
62M35.4Very low47.5Very low180 Ų180126.5 Ų126.589%0.88772%0.722SS**  trans-64.886.5172.4-66.9-174.9-173.900109.4S60 L64S60-M62 PolarHBondContact O-N 2.82Å; M62-L64 PolarHBondContact O-N 3.07Å
63T43.8Very low49.7Very low119 Ų119125.4 Ų125.473%0.7372%0.72SS**  trans-73.583170.548.50000108.9K61 D65K61-T63 VanDerWaalsContact C-N 3.25Å; K61-T63 HydrophobicContact CG-CG2 4.43Å; K61-T63 PolarHBondContact O-N 3.26Å; T63-D65 PolarHBondContact O-N 3.28Å
64L51.5Low52.2Low121 Ų121117.5 Ų117.563%0.63468%0.683SS**  trans-53.2127.8160-69.3168.7000107.9M62 I66 F69M62-L64 PolarHBondContact O-N 3.07Å; L64-I66 PolarHBondContact O-N 3.19Å; L64-F69 HydrophobicContact CB-CE2 4.05Å; L64-F69 HydrophobicContact CB-CZ 4.02Å; L64-F69 HydrophobicContact CD1-CZ 4.44Å; L64-F69 HydrophobicContact CD2-CZ 4.4Å
65D54.5Low54.7Low115 Ų115111.9 Ų111.962%0.61566%0.656SS**  trans-71.899.8-179.1-174.60.2000110.1T63 A67 S68 F69T63-D65 PolarHBondContact O-N 3.28Å; D65-A67 PolarHBondContact O-N 3.27Å; D65-A67 VanDerWaalsContact O-N 3.09Å; D65-A67 PolarHBondContact OD1-N 3.15Å; D65-S68 WeakPolarHBondContact O-CB 3.41Å; D65-S68 PolarHBondContact O-N 3.1Å; D65-S68 PolarHBondContact O-OG 3.3Å; D65-F69 WeakPolarHBondContact O-CD2 3.39Å; D65-F69 VanDerWaalsContact O-CE2 3.25Å; D65-F69 WeakPolarHBondContact O-CE2 3.41Å
66I59.8Low57.4Low88 Ų88107.8 Ų107.845%0.45163%0.631SS.*G310 helixtrans-56-27.7-173.3-68.7170.7000112.1L64 S68 L128L64-I66 PolarHBondContact O-N 3.19Å; I66-S68 PolarHBondContact O-N 3.22Å; I66-L128 HydrophobicContact CG1-CD2 4.47Å; I66-L128 HydrophobicContact CG2-CD1 3.9Å; I66-L128 HydrophobicContact CG2-CD2 3.7Å; I66-L128 HydrophobicContact CG2-CG 4.3Å
67A56.9Low60.2Low86 Ų86106.8 Ų106.871%0.71160%0.604SS**G310 helixtrans-67.1-20.3179.400000113.8D65D65-A67 PolarHBondContact O-N 3.27Å; D65-A67 VanDerWaalsContact O-N 3.09Å; D65-A67 PolarHBondContact OD1-N 3.15Å
68S62.7Low63Low84 Ų8497.9 Ų97.959%0.58756%0.563SS**G310 helixtrans-83.2-8.3-174.267.60000115.4D65 I66 R70D65-S68 WeakPolarHBondContact O-CB 3.41Å; D65-S68 PolarHBondContact O-N 3.1Å; D65-S68 PolarHBondContact O-OG 3.3Å; I66-S68 PolarHBondContact O-N 3.22Å; S68-R70 PolarHBondContact O-N 2.75Å
69F65.8Low65.6Low75 Ų7597.2 Ų97.233%0.32955%0.545SS..G310 helixtrans-93.712-168.3-65.1-82.2000116.1L64 D65 T127L64-F69 HydrophobicContact CB-CE2 4.05Å; L64-F69 HydrophobicContact CB-CZ 4.02Å; L64-F69 HydrophobicContact CD1-CZ 4.44Å; L64-F69 HydrophobicContact CD2-CZ 4.4Å; D65-F69 WeakPolarHBondContact O-CD2 3.39Å; D65-F69 VanDerWaalsContact O-CE2 3.25Å; D65-F69 WeakPolarHBondContact O-CE2 3.41Å; F69-T127 HydrophobicContact CB-CG2 4.5Å; F69-T127 PolarHBondContact O-OG1 3.04Å
70R74.9Confident67.8Low142 Ų14294.3 Ų94.354%0.53652%0.517SS..PPolyproline II helixtrans-86125.7179.9-174.2177.6178.6-170-0.8111S68 E74S68-R70 PolarHBondContact O-N 2.75Å; R70-E74 HydrophobicContact CG-CB 4.28Å; R70-E74 VanDerWaalsContact CZ-O 3.23Å; R70-E74 PolarHBondContact NE-O 3.16Å; R70-E74 PolarHBondContact NH2-O 2.97Å
71K77.3Confident70.4Confident117 Ų11788.6 Ų88.651%0.50948%0.477SS..PPolyproline II helixtrans-71.5146.3175.5-63.9172.9-177.3174.10110.2G73 E74K71-G73 PolarHBondContact O-N 2.95Å; K71-E74 HydrophobicContact CB-CB 4.09Å; K71-E74 WeakPolarHBondContact CB-OE2 3.46Å; K71-E74 PolarHBondContact N-OE2 3.39Å; K71-E74 WeakPolarHBondContact O-CB 3.44Å; K71-E74 PolarHBondContact O-N 3.32Å
72P77.3Confident73Confident137 Ų13782.1 Ų82.189%0.8945%0.448SS*.THydrogen-bonded Turntrans-53.4128.4175.6-26.535.1000111.3E74P72-E74 VanDerWaalsContact C-N 3.26Å; P72-E74 PolarHBondContact O-N 3.38Å
73G76.3Confident75.8Confident76 Ų7673.5 Ų73.578%0.78441%0.405SS*.THydrogen-bonded Turntrans76.3-4-177.100000116.2K71 K75K71-G73 PolarHBondContact O-N 2.95Å; G73-K75 PolarHBondContact O-N 2.89Å
74E82.8Confident78.2Confident29 Ų2970.7 Ų70.714%0.13638%0.383CS..PPolyproline II helixtrans-66.3124.4179-173171.9-169.200111R70 K71 P72 R126R70-E74 HydrophobicContact CG-CB 4.28Å; R70-E74 VanDerWaalsContact CZ-O 3.23Å; R70-E74 PolarHBondContact NE-O 3.16Å; R70-E74 PolarHBondContact NH2-O 2.97Å; K71-E74 HydrophobicContact CB-CB 4.09Å; K71-E74 WeakPolarHBondContact CB-OE2 3.46Å; K71-E74 PolarHBondContact N-OE2 3.39Å; K71-E74 WeakPolarHBondContact O-CB 3.44Å; K71-E74 PolarHBondContact O-N 3.32Å; P72-E74 VanDerWaalsContact C-N 3.26Å; P72-E74 PolarHBondContact O-N 3.38Å; E74-R126 PolarHBondContact OE1-N 3.43Å
75K85.2Confident80.1Confident75 Ų7564.9 Ų64.933%0.32635%0.353SS..PPolyproline II helixtrans-79.2141.1174.1-56.3-173.6-163.9-177.70109.3G73 T78 E172 V181 E182G73-K75 PolarHBondContact O-N 2.89Å; K75-T78 HydrophobicContact CB-CG2 3.85Å; K75-T78 VanDerWaalsContact O-CG2 3.3Å; K75-T78 WeakPolarHBondContact O-CG2 3.36Å; K75-E172 WeakPolarHBondContact CE-OE1 3.35Å; K75-E172 IonicContact NZ-OE1 3.8Å; K75-E172 PolarHBondContact NZ-OE1 2.96Å; K75-V181 PolarHBondContact NZ-O 3.42Å; K75-E182 WeakPolarHBondContact CD-O 3.17Å; K75-E182 WeakPolarHBondContact CE-O 3.26Å
76T88.5Confident81.9Confident50 Ų5059.7 Ų59.731%0.30733%0.326SS..SBendtrans-82.4156.1178.650.20000111.3T78 E124T76-T78 VanDerWaalsContact C-N 3.32Å; T76-T78 PolarHBondContact O-N 3.16Å; T76-E124 CarbonylContact C-O 3.45Å; T76-E124 WeakPolarHBondContact CA-O 3.32Å; T76-E124 WeakPolarHBondContact CB-O 3.32Å; T76-E124 HydrophobicContact CG2-CG 3.72Å
77F87.8Confident83.4Confident60 Ų6057.8 Ų57.826%0.26332%0.321SS..SBendtrans55.740.4177.1-49.7-70.7000114.7N106 N108 C122 L123 E124F77-N106 HydrophobicContact CE1-CB 4.21Å; F77-N106 HydrophobicContact CZ-CB 3.97Å; F77-N108 HydrophobicContact CB-CB 3.95Å; F77-N108 HydrophobicContact CD1-CB 3.21Å; F77-N108 HydrophobicContact CD2-CB 4.16Å; F77-N108 HydrophobicContact CE1-CB 3.63Å; F77-N108 HydrophobicContact CG-CB 3.51Å; F77-N108 HydrophobicContact CZ-CB 4.27Å; F77-C122 PolarHBondContact O-SG 3.06Å; F77-L123 WeakPolarHBondContact CD1-O 3.42Å; F77-E124 HydrophobicContact CD1-CB 4.35Å; F77-E124 HydrophobicContact CE1-CB 3.7Å; F77-E124 HydrophobicContact CE1-CG 4.15Å; F77-E124 HydrophobicContact CE2-CG 4.16Å; F77-E124 HydrophobicContact CZ-CB 3.84Å; F77-E124 HydrophobicContact CZ-CG 3.79Å; F77-E124 PolarHBondContact N-O 2.92Å
78T90.4Very high84.9Confident12 Ų1253.8 Ų53.87%0.07429%0.287CS..  trans-81.2162.7177.553.70000111.4K75 T76 R80 S81 R82 E182K75-T78 HydrophobicContact CB-CG2 3.85Å; K75-T78 VanDerWaalsContact O-CG2 3.3Å; K75-T78 WeakPolarHBondContact O-CG2 3.36Å; T76-T78 VanDerWaalsContact C-N 3.32Å; T76-T78 PolarHBondContact O-N 3.16Å; T78-R80 PolarHBondContact O-N 2.73Å; T78-S81 PolarHBondContact N-OG 2.91Å; T78-S81 PolarHBondContact O-N 2.98Å; T78-S81 PolarHBondContact O-OG 3.1Å; T78-S81 VanDerWaalsContact O-OG 3.05Å; T78-R82 PolarHBondContact O-N 3Å; T78-E182 WeakPolarHBondContact CA-OE2 3.46Å; T78-E182 WeakPolarHBondContact CB-OE2 3.31Å; T78-E182 HydrophobicContact CG2-CB 3.88Å; T78-E182 HydrophobicContact CG2-CG 4.01Å
79Q89.4Confident86.1Confident41 Ų4150 Ų5019%0.19226%0.261CS..G310 helixtrans-58.6-16.5171.2-81.9168.879.400113.2R82 H153 E182 F202 A203Q79-R82 WeakPolarHBondContact O-CB 3.45Å; Q79-R82 PolarHBondContact O-N 3.4Å; Q79-H153 WeakPolarHBondContact CB-CD2 3.24Å; Q79-E182 PolarHBondContact N-OE1 3.01Å; Q79-E182 PolarHBondContact N-OE2 2.94Å; Q79-E182 PolarHBondContact NE2-OE1 3.32Å; Q79-F202 PolarHBondContact NE2-O 2.7Å; Q79-A203 PolarHBondContact NE2-O 2.73Å
80R88.4Confident87Confident68 Ų6851.7 Ų51.726%0.25727%0.273SS..G310 helixtrans-80.4-19.3174.4-65.7-172.167.6-14812.3114.7T78 E201T78-R80 PolarHBondContact O-N 2.73Å; R80-E201 WeakPolarHBondContact CD-OE2 3.36Å; R80-E201 IonicContact NE-OE1 2.7Å
81S91.6Very high87.6Confident0 Ų049.7 Ų49.70%027%0.273CS..G310 helixtrans-97.410.9167.658.60000112.6T78 L123 T125T78-S81 PolarHBondContact N-OG 2.91Å; T78-S81 PolarHBondContact O-N 2.98Å; T78-S81 PolarHBondContact O-OG 3.1Å; T78-S81 VanDerWaalsContact O-OG 3.05Å; S81-L123 WeakPolarHBondContact CB-O 3.19Å; S81-L123 PolarHBondContact O-N 3.03Å; S81-L123 VanDerWaalsContact O-N 3.08Å; S81-L123 PolarHBondContact OG-O 3.11Å; S81-T125 VanDerWaalsContact CB-C 3.4Å; S81-T125 VanDerWaalsContact CB-O 3.26Å; S81-T125 WeakPolarHBondContact CB-O 3.43Å
82R93.1Very high88.1Confident49 Ų4944.3 Ų44.319%0.18525%0.25CC..EExtended strand (participates in β ladder)trans-87.8121.7174.6-160.9174.3-169-108.33.3110.6T78 Q79 E109 V121 C122 A151T78-R82 PolarHBondContact O-N 3Å; Q79-R82 WeakPolarHBondContact O-CB 3.45Å; Q79-R82 PolarHBondContact O-N 3.4Å; R82-E109 IonicContact CZ-OE1 2.65Å; R82-E109 IonicContact CZ-OE2 3.42Å; R82-E109 IonicContact NE-OE1 3.28Å; R82-E109 IonicContact NE-OE2 3.3Å; R82-E109 PolarHBondContact NE-OE2 2.82Å; R82-E109 IonicContact NH2-OE1 3.23Å; R82-E109 PolarHBondContact NH2-OE1 2.66Å; R82-E109 IonicContact NH2-OE2 2.82Å; R82-V121 CarbonylContact C-O 3.54Å; R82-V121 VanDerWaalsContact CA-O 3.28Å; R82-V121 WeakPolarHBondContact CA-O 3.37Å; R82-C122 HydrophobicContact CG-CB 4.36Å; R82-A151 HydrophobicContact CB-CB 4.06Å; R82-A151 HydrophobicContact CG-CB 3.98Å; R82-A151 WeakPolarHBondContact O-CB 3.06Å; R82-A151 PolarHBondContact O-N 2.82Å
83L93.4Very high88.6Confident0 Ų040.3 Ų40.30%022%0.222CC..EExtended strand (participates in β ladder)trans-101.1143.3175.1-62.5174000110.5F101 F120 V121 L123 A129 A132 K133 V148 R149 F150L83-F101 HydrophobicContact CD1-CE1 3.93Å; L83-F120 VanDerWaalsContact O-CA 3.25Å; L83-F120 WeakPolarHBondContact O-CA 3.39Å; L83-V121 HydrophobicContact CB-CG1 3.85Å; L83-V121 HydrophobicContact CD1-CG1 4.45Å; L83-V121 PolarHBondContact N-O 3.25Å; L83-V121 PolarHBondContact O-N 3.45Å; L83-L123 HydrophobicContact CD1-CD1 3.94Å; L83-A129 HydrophobicContact CD1-CB 4.25Å; L83-A129 HydrophobicContact CD2-CB 4.07Å; L83-A129 HydrophobicContact CG-CB 4.04Å; L83-A132 HydrophobicContact CD1-CB 3.88Å; L83-K133 HydrophobicContact CD2-CB 4.31Å; L83-V148 HydrophobicContact CB-CG1 4.27Å; L83-V148 HydrophobicContact CD1-CG1 3.96Å; L83-V148 HydrophobicContact CD2-CG1 4.42Å; L83-V148 HydrophobicContact CG-CG1 4.46Å; L83-R149 CarbonylContact C-O 3.58Å; L83-R149 WeakPolarHBondContact CA-O 3.28Å; L83-F150 HydrophobicContact CD2-CD1 3.83Å; L83-F150 HydrophobicContact CD2-CE1 3.84Å; L83-F150 HydrophobicContact CD2-CG 4.37Å; L83-F150 HydrophobicContact CD2-CZ 4.38Å
84F93.7Very high89.2Confident59 Ų5941 Ų4126%0.25921%0.206SC..EExtended strand (participates in β ladder)trans-93.6130.8163.8169.7-96.1000108.8F118 F120 V148 R149F84-F118 HydrophobicContact CD2-CD2 4.31Å; F84-F118 HydrophobicContact CE2-CB 3.61Å; F84-F118 HydrophobicContact CE2-CD1 4.45Å; F84-F118 AromaticContact CE2-CD2 3.7Å; F84-F118 HydrophobicContact CE2-CD2 3.7Å; F84-F118 AromaticContact CE2-CG 3.68Å; F84-F118 HydrophobicContact CE2-CG 3.68Å; F84-F118 HydrophobicContact CZ-CB 3.8Å; F84-F118 HydrophobicContact CZ-CG 4.23Å; F84-F120 HydrophobicContact CB-CD1 4.11Å; F84-F120 HydrophobicContact CB-CE1 3.9Å; F84-F120 HydrophobicContact CD2-CD1 4.26Å; F84-F120 AromaticContact CD2-CE1 3.65Å; F84-F120 HydrophobicContact CD2-CE1 3.65Å; F84-F120 AromaticContact CD2-CZ 3.89Å; F84-F120 HydrophobicContact CD2-CZ 3.89Å; F84-F120 HydrophobicContact CG-CE1 4.26Å; F84-V148 WeakPolarHBondContact O-CA 3.36Å; F84-R149 PolarHBondContact N-O 3.02Å; F84-R149 PolarHBondContact O-N 3.04Å
85V93.1Very high89.6Confident0 Ų046.8 Ų46.80%023%0.232CC..EExtended strand (participates in β ladder)trans-120.4101.9178.1-172.70000108.5L88 F97 F101 F118 G119 V121 K147 V148V85-L88 HydrophobicContact CG1-CD2 3.82Å; V85-L88 HydrophobicContact CG1-CG 4.12Å; V85-F97 HydrophobicContact CB-CE2 3.86Å; V85-F97 HydrophobicContact CB-CZ 4.11Å; V85-F97 HydrophobicContact CG1-CE2 3.99Å; V85-F97 HydrophobicContact CG2-CE2 3.94Å; V85-F97 HydrophobicContact CG2-CZ 3.83Å; V85-F101 HydrophobicContact CG2-CE2 3.85Å; V85-F101 HydrophobicContact CG2-CZ 3.5Å; V85-F118 CarbonylContact O-C 3.56Å; V85-F118 WeakPolarHBondContact O-CA 3.47Å; V85-F118 WeakPolarHBondContact O-CB 3.09Å; V85-G119 PolarHBondContact N-O 3.41Å; V85-G119 PolarHBondContact O-N 3.25Å; V85-V121 HydrophobicContact CG2-CG1 4.41Å; V85-K147 CarbonylContact C-O 3.58Å; V85-K147 WeakPolarHBondContact CA-O 3.39Å; V85-V148 HydrophobicContact CG1-CG2 4.27Å; V85-V148 HydrophobicContact CG2-CG2 4.45Å
86G92.1Very high89.8Confident5 Ų547.7 Ų47.75%0.05224%0.238CC..EExtended strand (participates in β ladder)trans-96.3168.9176.700000113.2L88 K147G86-L88 PolarHBondContact O-N 2.93Å; G86-K147 PolarHBondContact N-O 3.48Å; G86-K147 PolarHBondContact O-N 2.96Å
87S90.1Very high89.9Confident49 Ų4945.3 Ų45.334%0.34322%0.223SC..SBendtrans63.326-179.5-163.70000114.4G117 R144 A145S87-G117 PolarHBondContact N-O 3.3Å; S87-R144 WeakPolarHBondContact O-CB 3.33Å; S87-A145 VanDerWaalsContact CB-O 3.31Å; S87-A145 WeakPolarHBondContact CB-O 3.42Å; S87-A145 PolarHBondContact OG-O 3.03Å
88L89.6Confident90Very high1 Ų146.4 Ų46.41%0.00523%0.228CC..  trans-60.6150.3169-68.2172.3000110.5V85 G86 I92 F97 I112 G117 R144 L146V85-L88 HydrophobicContact CG1-CD2 3.82Å; V85-L88 HydrophobicContact CG1-CG 4.12Å; G86-L88 PolarHBondContact O-N 2.93Å; L88-I92 HydrophobicContact CB-CG2 4.24Å; L88-I92 HydrophobicContact CD1-CG2 4.41Å; L88-F97 HydrophobicContact CD1-CD2 4.13Å; L88-F97 HydrophobicContact CD1-CE2 3.88Å; L88-F97 HydrophobicContact CD2-CD2 4.04Å; L88-F97 HydrophobicContact CD2-CE2 4.08Å; L88-I112 HydrophobicContact CD1-CG2 4.34Å; L88-G117 PolarHBondContact N-O 3.24Å; L88-R144 PolarHBondContact O-NH1 2.73Å; L88-L146 HydrophobicContact CD2-CD2 3.83Å
89P86.7Confident90Very high6 Ų651.5 Ų51.54%0.03925%0.254CS..  trans-79.9162.1171.141.3-40.3000110D91 I92 L141 N142P89-D91 VanDerWaalsContact C-N 3.29Å; P89-D91 WeakPolarHBondContact CB-OD1 3.37Å; P89-D91 VanDerWaalsContact CG-OD1 3.24Å; P89-D91 WeakPolarHBondContact CG-OD1 3.3Å; P89-D91 PolarHBondContact O-N 3.17Å; P89-I92 HydrophobicContact CG-CB 4.19Å; P89-I92 WeakPolarHBondContact O-CG2 3.3Å; P89-L141 HydrophobicContact CG-CD2 3.61Å; P89-N142 HydrophobicContact CB-CB 4.05Å; P89-N142 HydrophobicContact CG-CB 4.09Å
90L86.1Confident90Very high109 Ų10951.7 Ų51.757%0.57126%0.257SS*.THydrogen-bonded Turntrans-75.3-20.3-170.1-75.8144.6000113.6R114L90-R114 WeakPolarHBondContact CD2-O 3.36Å
91D86.1Confident90.1Very high101 Ų10148.5 Ų48.554%0.5425%0.245SC..THydrogen-bonded Turntrans-86.4-12.4-178.353-16.1000113.7P89 T93 N142P89-D91 VanDerWaalsContact C-N 3.29Å; P89-D91 WeakPolarHBondContact CB-OD1 3.37Å; P89-D91 VanDerWaalsContact CG-OD1 3.24Å; P89-D91 WeakPolarHBondContact CG-OD1 3.3Å; P89-D91 PolarHBondContact O-N 3.17Å; D91-T93 PolarHBondContact O-N 3.05Å; D91-N142 PolarHBondContact OD1-ND2 3.46Å; D91-N142 PolarHBondContact OD2-ND2 3.22Å
92I87.5Confident89.9Confident4 Ų451.2 Ų51.22%0.02127%0.267CS..  trans-57.2126.7-174.5-161.970.6000112.7L88 P89 E96 F97 I112 R114 L141L88-I92 HydrophobicContact CB-CG2 4.24Å; L88-I92 HydrophobicContact CD1-CG2 4.41Å; P89-I92 HydrophobicContact CG-CB 4.19Å; P89-I92 WeakPolarHBondContact O-CG2 3.3Å; I92-E96 HydrophobicContact CD1-CB 3.75Å; I92-F97 HydrophobicContact CG1-CB 4.37Å; I92-I112 HydrophobicContact CG2-CG2 4.11Å; I92-R114 PolarHBondContact O-NE 3.17Å; I92-R114 VanDerWaalsContact O-NE 3.09Å; I92-R114 PolarHBondContact O-NH2 2.8Å; I92-L141 HydrophobicContact CD1-CD1 4.36Å; I92-L141 HydrophobicContact CD1-CD2 4.04Å
93T89.8Confident89.7Confident52 Ų5254.3 Ų54.332%0.31928%0.282SS..  trans-86.6160.6172.965.80000111.5D91 E95 E96 F97D91-T93 PolarHBondContact O-N 3.05Å; T93-E95 VanDerWaalsContact C-N 3.26Å; T93-E95 PolarHBondContact O-N 3.27Å; T93-E96 WeakPolarHBondContact CB-OE2 3.31Å; T93-E96 WeakPolarHBondContact CG2-OE2 3.42Å; T93-E96 PolarHBondContact N-OE2 3.23Å; T93-E96 WeakPolarHBondContact OG1-CB 3.24Å; T93-E96 WeakPolarHBondContact OG1-CG 3.41Å; T93-E96 PolarHBondContact OG1-N 3.04Å; T93-E96 PolarHBondContact OG1-OE2 3.38Å; T93-F97 WeakPolarHBondContact O-CB 3.41Å; T93-F97 PolarHBondContact O-N 3.12Å; T93-F97 VanDerWaalsContact O-N 3.12Å
94E88.9Confident89.4Confident92 Ų9254.7 Ų54.743%0.4328%0.284SS..Hα-helixtrans-67.6-31.1176.3-163-171.7135.800111.9K98 V110 I112E94-K98 HydrophobicContact CG-CD 4.43Å; E94-K98 WeakPolarHBondContact O-CB 3.26Å; E94-K98 WeakPolarHBondContact O-CG 3.31Å; E94-K98 PolarHBondContact O-N 3.07Å; E94-K98 VanDerWaalsContact OE1-CE 3.24Å; E94-K98 WeakPolarHBondContact OE1-CE 3.1Å; E94-K98 IonicContact OE1-NZ 3.14Å; E94-K98 PolarHBondContact OE1-NZ 3.1Å; E94-V110 HydrophobicContact CG-CB 4.5Å; E94-V110 HydrophobicContact CG-CG1 3.74Å; E94-I112 HydrophobicContact CB-CD1 4.3Å; E94-I112 HydrophobicContact CG-CD1 4.33Å
95E89.9Confident88.9Confident149 Ų14953 Ų5370%0.69628%0.283SS*.Hα-helixtrans-69.7-48.1178.1-64.5177.4-165.900111.5T93 F97 K98 N99T93-E95 VanDerWaalsContact C-N 3.26Å; T93-E95 PolarHBondContact O-N 3.27Å; E95-F97 VanDerWaalsContact C-N 3.31Å; E95-F97 PolarHBondContact O-N 3.41Å; E95-K98 PolarHBondContact O-N 3.3Å; E95-N99 WeakPolarHBondContact O-CB 3.47Å; E95-N99 PolarHBondContact O-N 3.2Å; E95-N99 PolarHBondContact O-ND2 3.09Å
96E89.8Confident88.5Confident95 Ų9557.9 Ų57.944%0.44431%0.309SS..Hα-helixtrans-57.7-45.4172.7-71.2160.8145.400111.2I92 T93 K98 N99 L100I92-E96 HydrophobicContact CD1-CB 3.75Å; T93-E96 WeakPolarHBondContact CB-OE2 3.31Å; T93-E96 WeakPolarHBondContact CG2-OE2 3.42Å; T93-E96 PolarHBondContact N-OE2 3.23Å; T93-E96 WeakPolarHBondContact OG1-CB 3.24Å; T93-E96 WeakPolarHBondContact OG1-CG 3.41Å; T93-E96 PolarHBondContact OG1-N 3.04Å; T93-E96 PolarHBondContact OG1-OE2 3.38Å; E96-K98 PolarHBondContact O-N 3.22Å; E96-N99 PolarHBondContact O-N 2.97Å; E96-L100 WeakPolarHBondContact O-CG 3.45Å; E96-L100 PolarHBondContact O-N 3.47Å
97F89.9Confident88.4Confident0 Ų059.9 Ų59.90%032%0.318CS..Hα-helixtrans-62.2-42.1177.9-173-96.8000112.2V85 L88 I92 T93 E95 L100 F101 V110 I112 V121V85-F97 HydrophobicContact CB-CE2 3.86Å; V85-F97 HydrophobicContact CB-CZ 4.11Å; V85-F97 HydrophobicContact CG1-CE2 3.99Å; V85-F97 HydrophobicContact CG2-CE2 3.94Å; V85-F97 HydrophobicContact CG2-CZ 3.83Å; L88-F97 HydrophobicContact CD1-CD2 4.13Å; L88-F97 HydrophobicContact CD1-CE2 3.88Å; L88-F97 HydrophobicContact CD2-CD2 4.04Å; L88-F97 HydrophobicContact CD2-CE2 4.08Å; I92-F97 HydrophobicContact CG1-CB 4.37Å; T93-F97 WeakPolarHBondContact O-CB 3.41Å; T93-F97 PolarHBondContact O-N 3.12Å; T93-F97 VanDerWaalsContact O-N 3.12Å; E95-F97 VanDerWaalsContact C-N 3.31Å; E95-F97 PolarHBondContact O-N 3.41Å; F97-L100 PolarHBondContact O-N 3.27Å; F97-F101 HydrophobicContact CD2-CE2 4.48Å; F97-F101 HydrophobicContact CE1-CD2 4.42Å; F97-F101 HydrophobicContact CE1-CE2 4.42Å; F97-F101 AromaticContact CE2-CE2 3.96Å; F97-F101 HydrophobicContact CE2-CE2 3.96Å; F97-F101 HydrophobicContact CZ-CD2 4.38Å; F97-F101 AromaticContact CZ-CE2 3.94Å; F97-F101 HydrophobicContact CZ-CE2 3.94Å; F97-F101 WeakPolarHBondContact O-CD2 3.48Å; F97-V110 HydrophobicContact CD1-CG1 3.55Å; F97-V110 HydrophobicContact CD1-CG2 4.49Å; F97-V110 HydrophobicContact CE1-CG1 3.83Å; F97-I112 HydrophobicContact CB-CD1 3.57Å; F97-I112 HydrophobicContact CD1-CD1 3.94Å; F97-I112 HydrophobicContact CD1-CG1 4.19Å; F97-I112 HydrophobicContact CD2-CD1 4.3Å; F97-I112 HydrophobicContact CE1-CG1 4.49Å; F97-I112 HydrophobicContact CG-CD1 3.69Å; F97-I112 HydrophobicContact CG-CG1 4.24Å; F97-V121 HydrophobicContact CE1-CB 3.89Å; F97-V121 HydrophobicContact CZ-CB 4.22Å
98K90.4Very high88.2Confident82 Ų8262.9 Ų62.936%0.35733%0.33SS..Hα-helixtrans-61.3-44.5172.3-80.2168.6171.31690111.7E94 E95 E96 L100 F101 A102 I107 V110E94-K98 HydrophobicContact CG-CD 4.43Å; E94-K98 WeakPolarHBondContact O-CB 3.26Å; E94-K98 WeakPolarHBondContact O-CG 3.31Å; E94-K98 PolarHBondContact O-N 3.07Å; E94-K98 VanDerWaalsContact OE1-CE 3.24Å; E94-K98 WeakPolarHBondContact OE1-CE 3.1Å; E94-K98 IonicContact OE1-NZ 3.14Å; E94-K98 PolarHBondContact OE1-NZ 3.1Å; E95-K98 PolarHBondContact O-N 3.3Å; E96-K98 PolarHBondContact O-N 3.22Å; K98-L100 VanDerWaalsContact C-N 3.3Å; K98-L100 PolarHBondContact O-N 3.03Å; K98-F101 PolarHBondContact O-N 2.98Å; K98-F101 VanDerWaalsContact O-N 3.08Å; K98-A102 WeakPolarHBondContact O-CB 3.22Å; K98-A102 PolarHBondContact O-N 3.15Å; K98-I107 HydrophobicContact CB-CD1 4.38Å; K98-I107 HydrophobicContact CG-CD1 4.4Å; K98-I107 WeakPolarHBondContact O-CD1 3.43Å; K98-V110 HydrophobicContact CD-CG2 4.45Å; K98-V110 HydrophobicContact CG-CG2 3.83Å
99N90.1Very high87.8Confident119 Ų11966.5 Ų66.564%0.63635%0.347SS*.Hα-helixtrans-62.8-33.1-179-69.8-24.1000113E95 E96 F101E95-N99 WeakPolarHBondContact O-CB 3.47Å; E95-N99 PolarHBondContact O-N 3.2Å; E95-N99 PolarHBondContact O-ND2 3.09Å; E96-N99 PolarHBondContact O-N 2.97Å; N99-F101 VanDerWaalsContact C-N 3.3Å; N99-F101 PolarHBondContact O-N 2.78Å
100L88.9Confident88Confident45 Ų4567.6 Ų67.624%0.23635%0.353CS..Hα-helixtrans-61.3-37.4173-67.4167.3000112.9E96 F97 K98 L141E96-L100 WeakPolarHBondContact O-CG 3.45Å; E96-L100 PolarHBondContact O-N 3.47Å; F97-L100 PolarHBondContact O-N 3.27Å; K98-L100 VanDerWaalsContact C-N 3.3Å; K98-L100 PolarHBondContact O-N 3.03Å; L100-L141 HydrophobicContact CD1-CD1 3.42Å; L100-L141 VanDerWaalsContact CD1-CD1 3.42Å; L100-L141 HydrophobicContact CD2-CD1 3.85Å; L100-L141 HydrophobicContact CG-CD1 4.21Å
101F90.5Very high88.2Confident1 Ų167.1 Ų67.10%0.00435%0.347CS..Hα-helixtrans-96-17.9-175.7-75-82.7000113.9L83 V85 F97 K98 N99 K103 Y104 I107 V121 L123 A132 L136L83-F101 HydrophobicContact CD1-CE1 3.93Å; V85-F101 HydrophobicContact CG2-CE2 3.85Å; V85-F101 HydrophobicContact CG2-CZ 3.5Å; F97-F101 HydrophobicContact CD2-CE2 4.48Å; F97-F101 HydrophobicContact CE1-CD2 4.42Å; F97-F101 HydrophobicContact CE1-CE2 4.42Å; F97-F101 AromaticContact CE2-CE2 3.96Å; F97-F101 HydrophobicContact CE2-CE2 3.96Å; F97-F101 HydrophobicContact CZ-CD2 4.38Å; F97-F101 AromaticContact CZ-CE2 3.94Å; F97-F101 HydrophobicContact CZ-CE2 3.94Å; F97-F101 WeakPolarHBondContact O-CD2 3.48Å; K98-F101 PolarHBondContact O-N 2.98Å; K98-F101 VanDerWaalsContact O-N 3.08Å; N99-F101 VanDerWaalsContact C-N 3.3Å; N99-F101 PolarHBondContact O-N 2.78Å; F101-K103 PolarHBondContact O-N 3.01Å; F101-K103 VanDerWaalsContact O-N 3.09Å; F101-Y104 HydrophobicContact CD1-CD2 4.22Å; F101-Y104 PolarHBondContact O-N 2.85Å; F101-I107 HydrophobicContact CB-CD1 3.66Å; F101-I107 HydrophobicContact CB-CG1 4.31Å; F101-V121 HydrophobicContact CB-CG2 4.26Å; F101-V121 HydrophobicContact CD1-CG1 3.85Å; F101-V121 HydrophobicContact CD1-CG2 4.49Å; F101-V121 HydrophobicContact CD2-CG1 4.17Å; F101-V121 HydrophobicContact CD2-CG2 4.41Å; F101-V121 HydrophobicContact CE1-CG1 3.71Å; F101-V121 HydrophobicContact CE2-CG1 4.07Å; F101-V121 HydrophobicContact CG-CG1 4.08Å; F101-V121 HydrophobicContact CG-CG2 4.13Å; F101-V121 HydrophobicContact CZ-CG1 3.86Å; F101-L123 HydrophobicContact CD1-CD1 4.38Å; F101-A132 HydrophobicContact CD1-CB 4.27Å; F101-A132 HydrophobicContact CE1-CB 4.26Å; F101-L136 HydrophobicContact CD1-CD1 3.86Å; F101-L136 HydrophobicContact CD2-CD1 4.37Å; F101-L136 HydrophobicContact CE1-CD1 3.4Å; F101-L136 VanDerWaalsContact CE1-CD1 3.4Å; F101-L136 HydrophobicContact CE2-CD1 3.96Å; F101-L136 HydrophobicContact CG-CD1 4.32Å; F101-L136 HydrophobicContact CZ-CD1 3.43Å; F101-L136 VanDerWaalsContact CZ-CD1 3.43Å
102A88.3Confident88.5Confident58 Ų5864 Ų6448%0.47933%0.33SS..G310 helixtrans-57.8-26.1-177.700000114.2K98 Y104 G105K98-A102 WeakPolarHBondContact O-CB 3.22Å; K98-A102 PolarHBondContact O-N 3.15Å; A102-Y104 PolarHBondContact O-N 3.4Å; A102-G105 PolarHBondContact O-N 2.89Å
103K88.6Confident88.7Confident113 Ų11365.6 Ų65.649%0.49134%0.338SS..G310 helixtrans-68.6-16.3173.954.1159.8158.5165.60114.5F101 E135F101-K103 PolarHBondContact O-N 3.01Å; F101-K103 VanDerWaalsContact O-N 3.09Å; K103-E135 IonicContact NZ-OE1 2.84Å; K103-E135 PolarHBondContact NZ-OE1 3.38Å
104Y87Confident88.6Confident9 Ų969.3 Ų69.34%0.03535%0.347CS..G310 helixtrans-103.722.6179.9-46.9-70.2000112.8F101 A102 L128 I131 A132 E135 L136F101-Y104 HydrophobicContact CD1-CD2 4.22Å; F101-Y104 PolarHBondContact O-N 2.85Å; A102-Y104 PolarHBondContact O-N 3.4Å; Y104-L128 WeakPolarHBondContact O-CB 3.45Å; Y104-L128 WeakPolarHBondContact O-CD1 3.24Å; Y104-L128 WeakPolarHBondContact O-CD2 3.1Å; Y104-I131 HydrophobicContact CD1-CG2 4.02Å; Y104-I131 HydrophobicContact CE1-CG2 4.13Å; Y104-A132 HydrophobicContact CD1-CB 4.15Å; Y104-A132 HydrophobicContact CD2-CB 3.47Å; Y104-A132 VanDerWaalsContact CD2-CB 3.47Å; Y104-A132 HydrophobicContact CE1-CB 4.47Å; Y104-A132 HydrophobicContact CE2-CB 3.84Å; Y104-A132 HydrophobicContact CG-CB 3.63Å; Y104-E135 HydrophobicContact CE1-CB 4.3Å; Y104-E135 WeakPolarHBondContact CE1-OE2 3.49Å; Y104-E135 WeakPolarHBondContact OH-CB 3.3Å; Y104-E135 VanDerWaalsContact OH-CG 3.3Å; Y104-E135 WeakPolarHBondContact OH-CG 3.35Å; Y104-E135 PolarHBondContact OH-OE1 3.48Å; Y104-L136 HydrophobicContact CE2-CD1 3.68Å; Y104-L136 HydrophobicContact CE2-CD2 4.28Å; Y104-L136 HydrophobicContact CE2-CG 3.79Å; Y104-L136 WeakPolarHBondContact OH-CG 3.46Å
105G82.6Confident88.5Confident23 Ų2373.3 Ų73.324%0.23737%0.365CS..SBendtrans96.9-162.3176.200000114A102A102-G105 PolarHBondContact O-N 2.89Å
106N86.4Confident88.4Confident102 Ų10275.3 Ų75.355%0.54537%0.366SS..  trans-71.9142.7-170.8-62.2-55.4000112.1F77 E124F77-N106 HydrophobicContact CE1-CB 4.21Å; F77-N106 HydrophobicContact CZ-CB 3.97Å; N106-E124 PolarHBondContact ND2-OE2 3.22Å; N106-E124 PolarHBondContact O-N 2.92Å
107I89Confident88.3Confident47 Ų4771.2 Ų71.224%0.24135%0.35CS..EExtended strand (participates in β ladder)trans-114.6126.1177.5-55.1167.8000108.5K98 F101 V110 V121 L123K98-I107 HydrophobicContact CB-CD1 4.38Å; K98-I107 HydrophobicContact CG-CD1 4.4Å; K98-I107 WeakPolarHBondContact O-CD1 3.43Å; F101-I107 HydrophobicContact CB-CD1 3.66Å; F101-I107 HydrophobicContact CB-CG1 4.31Å; I107-V110 HydrophobicContact CG2-CG2 3.49Å; I107-V110 VanDerWaalsContact CG2-CG2 3.49Å; I107-V121 HydrophobicContact CD1-CG2 4.45Å; I107-V121 HydrophobicContact CG1-CG2 4.29Å; I107-V121 HydrophobicContact CG2-CG2 3.59Å; I107-L123 HydrophobicContact CG1-CD2 4.05Å
108N85.5Confident88.5Confident113 Ų11373.1 Ų73.160%0.60436%0.358SS*.EExtended strand (participates in β ladder)trans-100.6-44178.8179.443.4000112.8F77 C122F77-N108 HydrophobicContact CB-CB 3.95Å; F77-N108 HydrophobicContact CD1-CB 3.21Å; F77-N108 HydrophobicContact CD2-CB 4.16Å; F77-N108 HydrophobicContact CE1-CB 3.63Å; F77-N108 HydrophobicContact CG-CB 3.51Å; F77-N108 HydrophobicContact CZ-CB 4.27Å; N108-C122 PolarHBondContact N-O 2.87Å
109E82.4Confident88.6Confident76 Ų7669.2 Ų69.236%0.35534%0.341SS..EExtended strand (participates in β ladder)trans-120.5132.6180-167-160.2146.600110R82 V121 C122R82-E109 IonicContact CZ-OE1 2.65Å; R82-E109 IonicContact CZ-OE2 3.42Å; R82-E109 IonicContact NE-OE1 3.28Å; R82-E109 IonicContact NE-OE2 3.3Å; R82-E109 PolarHBondContact NE-OE2 2.82Å; R82-E109 IonicContact NH2-OE1 3.23Å; R82-E109 PolarHBondContact NH2-OE1 2.66Å; R82-E109 IonicContact NH2-OE2 2.82Å; E109-V121 CarbonylContact O-C 3.59Å; E109-V121 WeakPolarHBondContact O-CA 3.46Å; E109-C122 HydrophobicContact CB-CB 3.76Å; E109-C122 PolarHBondContact O-N 3.3Å
110V90.2Very high88.8Confident29 Ų2965.5 Ų65.518%0.17632%0.319CS..EExtended strand (participates in β ladder)trans-129.1131.6167.1173.90000108.6E94 F97 K98 I107 I112 V121E94-V110 HydrophobicContact CG-CB 4.5Å; E94-V110 HydrophobicContact CG-CG1 3.74Å; F97-V110 HydrophobicContact CD1-CG1 3.55Å; F97-V110 HydrophobicContact CD1-CG2 4.49Å; F97-V110 HydrophobicContact CE1-CG1 3.83Å; K98-V110 HydrophobicContact CD-CG2 4.45Å; K98-V110 HydrophobicContact CG-CG2 3.83Å; I107-V110 HydrophobicContact CG2-CG2 3.49Å; I107-V110 VanDerWaalsContact CG2-CG2 3.49Å; V110-I112 HydrophobicContact CG1-CD1 4.27Å; V110-I112 HydrophobicContact CG1-CG1 4.12Å; V110-V121 HydrophobicContact CG2-CG2 4.43Å
111F91.3Very high89Confident100 Ų10063.3 Ų63.344%0.43931%0.308SS..EExtended strand (participates in β ladder)trans-136.9131.9173.4176-90.1000109.3N113 F118 G119 F120F111-N113 HydrophobicContact CE1-CB 4.04Å; F111-F118 HydrophobicContact CE1-CE2 4.43Å; F111-G119 CarbonylContact O-C 3.45Å; F111-G119 WeakPolarHBondContact O-CA 3.44Å; F111-F120 HydrophobicContact CB-CB 4.47Å; F111-F120 AromaticContact CD1-CD2 3.91Å; F111-F120 HydrophobicContact CD1-CD2 3.91Å; F111-F120 PolarHBondContact N-O 2.86Å; F111-F120 PolarHBondContact O-N 3.03Å
112I91.9Very high89.1Confident36 Ų3663.5 Ų63.519%0.18531%0.309CS..EExtended strand (participates in β ladder)trans-130.9120.9-179.8-55.5175000109.5L88 I92 E94 F97 V110 R114L88-I112 HydrophobicContact CD1-CG2 4.34Å; I92-I112 HydrophobicContact CG2-CG2 4.11Å; E94-I112 HydrophobicContact CB-CD1 4.3Å; E94-I112 HydrophobicContact CG-CD1 4.33Å; F97-I112 HydrophobicContact CB-CD1 3.57Å; F97-I112 HydrophobicContact CD1-CD1 3.94Å; F97-I112 HydrophobicContact CD1-CG1 4.19Å; F97-I112 HydrophobicContact CD2-CD1 4.3Å; F97-I112 HydrophobicContact CE1-CG1 4.49Å; F97-I112 HydrophobicContact CG-CD1 3.69Å; F97-I112 HydrophobicContact CG-CG1 4.24Å; V110-I112 HydrophobicContact CG1-CD1 4.27Å; V110-I112 HydrophobicContact CG1-CG1 4.12Å; I112-R114 HydrophobicContact CG2-CG 4.12Å
113N91.3Very high89.3Confident36 Ų3660.7 Ų60.719%0.19329%0.286CS..EExtended strand (participates in β ladder)trans-98.995.6168.6-173.3-40.7000109.1F111 E115 R116 G117 F118F111-N113 HydrophobicContact CE1-CB 4.04Å; N113-E115 PolarHBondContact OD1-N 2.65Å; N113-R116 PolarHBondContact O-N 3.12Å; N113-R116 PolarHBondContact OD1-N 2.79Å; N113-G117 PolarHBondContact O-N 3Å; N113-F118 WeakPolarHBondContact CA-O 3.47Å; N113-F118 HydrophobicContact CB-CD2 4.38Å; N113-F118 HydrophobicContact CB-CE1 4.23Å; N113-F118 HydrophobicContact CB-CE2 4.03Å; N113-F118 HydrophobicContact CB-CZ 3.95Å; N113-F118 PolarHBondContact N-O 3.22Å; N113-F118 PolarHBondContact O-N 2.84Å
114R87.3Confident89.4Confident131 Ų13158.1 Ų58.149%0.49428%0.276SS..THydrogen-bonded Turntrans-62.4-41.4-179.8-65.7-173.4179.4154.27.3112.4L90 I92 I112 R116 G117L90-R114 WeakPolarHBondContact CD2-O 3.36Å; I92-R114 PolarHBondContact O-NE 3.17Å; I92-R114 VanDerWaalsContact O-NE 3.09Å; I92-R114 PolarHBondContact O-NH2 2.8Å; I112-R114 HydrophobicContact CG2-CG 4.12Å; R114-R116 PolarHBondContact O-N 3.39Å; R114-G117 PolarHBondContact O-N 3.25Å
115E86.8Confident89.5Confident176 Ų17658.2 Ų58.282%0.82228%0.277SS*.THydrogen-bonded Turntrans-57.5-36.7-178.8-58.6-176.1162.400113N113N113-E115 PolarHBondContact OD1-N 2.65Å
116R87.7Confident89.8Confident190 Ų19060.6 Ų60.672%0.71728%0.279SS*.THydrogen-bonded Turntrans-103.20.8-177.8-62-175.4178.3-163.11.2113.8N113 R114 F118N113-R116 PolarHBondContact O-N 3.12Å; N113-R116 PolarHBondContact OD1-N 2.79Å; R114-R116 PolarHBondContact O-N 3.39Å; R116-F118 HydrophobicContact CB-CD1 3.53Å; R116-F118 HydrophobicContact CB-CE1 3.44Å; R116-F118 VanDerWaalsContact CB-CE1 3.44Å; R116-F118 HydrophobicContact CG-CE1 4.19Å; R116-F118 PolarHBondContact O-N 2.9Å
117G89Confident90Very high9 Ų956.8 Ų56.89%0.09326%0.26CS..THydrogen-bonded Turntrans60.540.4177.600000114.1S87 L88 N113 R114S87-G117 PolarHBondContact N-O 3.3Å; L88-G117 PolarHBondContact N-O 3.24Å; N113-G117 PolarHBondContact O-N 3Å; R114-G117 PolarHBondContact O-N 3.25Å
118F92.8Very high90.1Very high40 Ų4054.9 Ų54.918%0.17525%0.25CC..EExtended strand (participates in β ladder)trans-142.1158.9173.973.8-102.1000113.1F84 V85 F111 N113 R116 F120F84-F118 HydrophobicContact CD2-CD2 4.31Å; F84-F118 HydrophobicContact CE2-CB 3.61Å; F84-F118 HydrophobicContact CE2-CD1 4.45Å; F84-F118 AromaticContact CE2-CD2 3.7Å; F84-F118 HydrophobicContact CE2-CD2 3.7Å; F84-F118 AromaticContact CE2-CG 3.68Å; F84-F118 HydrophobicContact CE2-CG 3.68Å; F84-F118 HydrophobicContact CZ-CB 3.8Å; F84-F118 HydrophobicContact CZ-CG 4.23Å; V85-F118 CarbonylContact O-C 3.56Å; V85-F118 WeakPolarHBondContact O-CA 3.47Å; V85-F118 WeakPolarHBondContact O-CB 3.09Å; F111-F118 HydrophobicContact CE1-CE2 4.43Å; N113-F118 WeakPolarHBondContact CA-O 3.47Å; N113-F118 HydrophobicContact CB-CD2 4.38Å; N113-F118 HydrophobicContact CB-CE1 4.23Å; N113-F118 HydrophobicContact CB-CE2 4.03Å; N113-F118 HydrophobicContact CB-CZ 3.95Å; N113-F118 PolarHBondContact N-O 3.22Å; N113-F118 PolarHBondContact O-N 2.84Å; R116-F118 HydrophobicContact CB-CD1 3.53Å; R116-F118 HydrophobicContact CB-CE1 3.44Å; R116-F118 VanDerWaalsContact CB-CE1 3.44Å; R116-F118 HydrophobicContact CG-CE1 4.19Å; R116-F118 PolarHBondContact O-N 2.9Å; F118-F120 HydrophobicContact CD2-CE2 4.27Å; F118-F120 AromaticContact CE2-CE2 3.84Å; F118-F120 HydrophobicContact CE2-CE2 3.84Å; F118-F120 HydrophobicContact CE2-CZ 4.46Å
119G93.1Very high90.4Very high0 Ų049.5 Ų49.50%022%0.221CC..EExtended strand (participates in β ladder)trans-142174173.300000113.2V85 F111V85-G119 PolarHBondContact N-O 3.41Å; V85-G119 PolarHBondContact O-N 3.25Å; F111-G119 CarbonylContact O-C 3.45Å; F111-G119 WeakPolarHBondContact O-CA 3.44Å
120F93.6Very high90.8Very high41 Ų4148.9 Ų48.918%0.1822%0.218CC..EExtended strand (participates in β ladder)trans-125.5144.6168.8-63.5-79.3000109.7L83 F84 F111 F118 A151L83-F120 VanDerWaalsContact O-CA 3.25Å; L83-F120 WeakPolarHBondContact O-CA 3.39Å; F84-F120 HydrophobicContact CB-CD1 4.11Å; F84-F120 HydrophobicContact CB-CE1 3.9Å; F84-F120 HydrophobicContact CD2-CD1 4.26Å; F84-F120 AromaticContact CD2-CE1 3.65Å; F84-F120 HydrophobicContact CD2-CE1 3.65Å; F84-F120 AromaticContact CD2-CZ 3.89Å; F84-F120 HydrophobicContact CD2-CZ 3.89Å; F84-F120 HydrophobicContact CG-CE1 4.26Å; F111-F120 HydrophobicContact CB-CB 4.47Å; F111-F120 AromaticContact CD1-CD2 3.91Å; F111-F120 HydrophobicContact CD1-CD2 3.91Å; F111-F120 PolarHBondContact N-O 2.86Å; F111-F120 PolarHBondContact O-N 3.03Å; F118-F120 HydrophobicContact CD2-CE2 4.27Å; F118-F120 AromaticContact CE2-CE2 3.84Å; F118-F120 HydrophobicContact CE2-CE2 3.84Å; F118-F120 HydrophobicContact CE2-CZ 4.46Å; F120-A151 HydrophobicContact CD1-CB 3.87Å; F120-A151 HydrophobicContact CE1-CB 3.89Å
121V93.6Very high90.9Very high0 Ų051.1 Ų51.10%023%0.229CC..EExtended strand (participates in β ladder)trans-133.4135.5172.761.50000109.1R82 L83 V85 F97 F101 I107 E109 V110R82-V121 CarbonylContact C-O 3.54Å; R82-V121 VanDerWaalsContact CA-O 3.28Å; R82-V121 WeakPolarHBondContact CA-O 3.37Å; L83-V121 HydrophobicContact CB-CG1 3.85Å; L83-V121 HydrophobicContact CD1-CG1 4.45Å; L83-V121 PolarHBondContact N-O 3.25Å; L83-V121 PolarHBondContact O-N 3.45Å; V85-V121 HydrophobicContact CG2-CG1 4.41Å; F97-V121 HydrophobicContact CE1-CB 3.89Å; F97-V121 HydrophobicContact CZ-CB 4.22Å; F101-V121 HydrophobicContact CB-CG2 4.26Å; F101-V121 HydrophobicContact CD1-CG1 3.85Å; F101-V121 HydrophobicContact CD1-CG2 4.49Å; F101-V121 HydrophobicContact CD2-CG1 4.17Å; F101-V121 HydrophobicContact CD2-CG2 4.41Å; F101-V121 HydrophobicContact CE1-CG1 3.71Å; F101-V121 HydrophobicContact CE2-CG1 4.07Å; F101-V121 HydrophobicContact CG-CG1 4.08Å; F101-V121 HydrophobicContact CG-CG2 4.13Å; F101-V121 HydrophobicContact CZ-CG1 3.86Å; I107-V121 HydrophobicContact CD1-CG2 4.45Å; I107-V121 HydrophobicContact CG1-CG2 4.29Å; I107-V121 HydrophobicContact CG2-CG2 3.59Å; E109-V121 CarbonylContact O-C 3.59Å; E109-V121 WeakPolarHBondContact O-CA 3.46Å; V110-V121 HydrophobicContact CG2-CG2 4.43Å
122C92.8Very high90.9Very high4 Ų446.4 Ų46.43%0.02721%0.208CC..EExtended strand (participates in β ladder)trans-109.9113.6174-168.70000110.5F77 R82 N108 E109F77-C122 PolarHBondContact O-SG 3.06Å; R82-C122 HydrophobicContact CG-CB 4.36Å; N108-C122 PolarHBondContact N-O 2.87Å; E109-C122 HydrophobicContact CB-CB 3.76Å; E109-C122 PolarHBondContact O-N 3.3Å
123L92.3Very high91Very high0 Ų045.9 Ų45.90%020%0.204CC..EExtended strand (participates in β ladder)trans-92.2165.7178.9-68.1166.8000111.3F77 S81 L83 F101 I107 A129 A132F77-L123 WeakPolarHBondContact CD1-O 3.42Å; S81-L123 WeakPolarHBondContact CB-O 3.19Å; S81-L123 PolarHBondContact O-N 3.03Å; S81-L123 VanDerWaalsContact O-N 3.08Å; S81-L123 PolarHBondContact OG-O 3.11Å; L83-L123 HydrophobicContact CD1-CD1 3.94Å; F101-L123 HydrophobicContact CD1-CD1 4.38Å; I107-L123 HydrophobicContact CG1-CD2 4.05Å; L123-A129 HydrophobicContact CD1-CB 4.09Å; L123-A132 HydrophobicContact CD1-CB 3.73Å
124E89.9Confident90.9Very high59 Ų5949.9 Ų49.928%0.27623%0.23SC..SBendtrans-63-45.1-173.7-170.2169.5167.100114.3T76 F77 N106 L128T76-E124 CarbonylContact C-O 3.45Å; T76-E124 WeakPolarHBondContact CA-O 3.32Å; T76-E124 WeakPolarHBondContact CB-O 3.32Å; T76-E124 HydrophobicContact CG2-CG 3.72Å; F77-E124 HydrophobicContact CD1-CB 4.35Å; F77-E124 HydrophobicContact CE1-CB 3.7Å; F77-E124 HydrophobicContact CE1-CG 4.15Å; F77-E124 HydrophobicContact CE2-CG 4.16Å; F77-E124 HydrophobicContact CZ-CB 3.84Å; F77-E124 HydrophobicContact CZ-CG 3.79Å; F77-E124 PolarHBondContact N-O 2.92Å; N106-E124 PolarHBondContact ND2-OE2 3.22Å; N106-E124 PolarHBondContact O-N 2.92Å; E124-L128 HydrophobicContact CB-CD1 4.25Å
125T89.8Confident91.1Very high11 Ų1148.9 Ų48.97%0.06723%0.23CC..SBendtrans-129.1160.9-179.567.60000111.9S81 T127 L128 A129S81-T125 VanDerWaalsContact CB-C 3.4Å; S81-T125 VanDerWaalsContact CB-O 3.26Å; S81-T125 WeakPolarHBondContact CB-O 3.43Å; T125-T127 VanDerWaalsContact C-N 3.28Å; T125-T127 PolarHBondContact O-N 3.37Å; T125-T127 PolarHBondContact OG1-OG1 3.31Å; T125-L128 PolarHBondContact O-N 3.44Å; T125-L128 WeakPolarHBondContact OG1-CG 3.42Å; T125-L128 PolarHBondContact OG1-N 3.19Å; T125-L128 VanDerWaalsContact OG1-N 3.17Å; T125-A129 PolarHBondContact O-N 3.12Å
126R90Very high91.4Very high72 Ų7240.9 Ų40.927%0.27219%0.194SC..Hα-helixtrans-63.7-36.3173.8-172.9179.4-174.7-119.86.6111.7E74 L128 A129 E130E74-R126 PolarHBondContact OE1-N 3.43Å; R126-L128 VanDerWaalsContact C-N 3.35Å; R126-L128 PolarHBondContact O-N 3.45Å; R126-A129 CarbonylContact O-C 3.37Å; R126-A129 WeakPolarHBondContact O-CB 3.4Å; R126-A129 PolarHBondContact O-N 3.04Å; R126-A129 VanDerWaalsContact O-N 3.15Å; R126-E130 HydrophobicContact CG-CG 4.34Å; R126-E130 WeakPolarHBondContact CG-OE1 3.39Å; R126-E130 IonicContact CZ-OE1 3.86Å; R126-E130 IonicContact NE-OE1 3.11Å; R126-E130 PolarHBondContact NE-OE1 2.89Å; R126-E130 IonicContact NH1-OE1 2.66Å; R126-E130 PolarHBondContact NH1-OE1 2.91Å; R126-E130 IonicContact NH2-OE1 3.17Å; R126-E130 WeakPolarHBondContact O-CG 3.35Å; R126-E130 PolarHBondContact O-N 3.42Å
127T90Very high91.5Very high22 Ų2235.2 Ų35.214%0.13518%0.177CC..Hα-helixtrans-61.1-40.4178.5430000112.4F69 T125 E130 I131F69-T127 HydrophobicContact CB-CG2 4.5Å; F69-T127 PolarHBondContact O-OG1 3.04Å; T125-T127 VanDerWaalsContact C-N 3.28Å; T125-T127 PolarHBondContact O-N 3.37Å; T125-T127 PolarHBondContact OG1-OG1 3.31Å; T127-E130 PolarHBondContact O-N 2.8Å; T127-I131 WeakPolarHBondContact O-CG1 3.48Å; T127-I131 PolarHBondContact O-N 2.59Å; T127-I131 VanDerWaalsContact O-N 3.1Å
128L90.9Very high91.4Very high7 Ų736.8 Ų36.84%0.03719%0.193CC..Hα-helixtrans-67.9-36.6173.9-70.8166.2000112.3I66 Y104 E124 T125 R126 I131 A132I66-L128 HydrophobicContact CG1-CD2 4.47Å; I66-L128 HydrophobicContact CG2-CD1 3.9Å; I66-L128 HydrophobicContact CG2-CD2 3.7Å; I66-L128 HydrophobicContact CG2-CG 4.3Å; Y104-L128 WeakPolarHBondContact O-CB 3.45Å; Y104-L128 WeakPolarHBondContact O-CD1 3.24Å; Y104-L128 WeakPolarHBondContact O-CD2 3.1Å; E124-L128 HydrophobicContact CB-CD1 4.25Å; T125-L128 PolarHBondContact O-N 3.44Å; T125-L128 WeakPolarHBondContact OG1-CG 3.42Å; T125-L128 PolarHBondContact OG1-N 3.19Å; T125-L128 VanDerWaalsContact OG1-N 3.17Å; R126-L128 VanDerWaalsContact C-N 3.35Å; R126-L128 PolarHBondContact O-N 3.45Å; L128-I131 PolarHBondContact O-N 2.7Å; L128-A132 VanDerWaalsContact O-CB 3.28Å; L128-A132 WeakPolarHBondContact O-CB 3.25Å; L128-A132 PolarHBondContact O-N 2.94Å
129A91.6Very high91.4Very high0 Ų036.7 Ų36.70%020%0.198CC..Hα-helixtrans-67.9-34173.400000113.2L83 L123 T125 R126 K133 F150L83-A129 HydrophobicContact CD1-CB 4.25Å; L83-A129 HydrophobicContact CD2-CB 4.07Å; L83-A129 HydrophobicContact CG-CB 4.04Å; L123-A129 HydrophobicContact CD1-CB 4.09Å; T125-A129 PolarHBondContact O-N 3.12Å; R126-A129 CarbonylContact O-C 3.37Å; R126-A129 WeakPolarHBondContact O-CB 3.4Å; R126-A129 PolarHBondContact O-N 3.04Å; R126-A129 VanDerWaalsContact O-N 3.15Å; A129-K133 WeakPolarHBondContact O-CB 3.45Å; A129-K133 PolarHBondContact O-N 3.41Å; A129-F150 HydrophobicContact CB-CE1 3.93Å
130E91.3Very high91.2Very high63 Ų6341.7 Ų41.729%0.29423%0.228SC..Hα-helixtrans-63.5-46.5172.5-72.2165.8-178.400110.9R126 T127 K133 V134 F150R126-E130 HydrophobicContact CG-CG 4.34Å; R126-E130 WeakPolarHBondContact CG-OE1 3.39Å; R126-E130 IonicContact CZ-OE1 3.86Å; R126-E130 IonicContact NE-OE1 3.11Å; R126-E130 PolarHBondContact NE-OE1 2.89Å; R126-E130 IonicContact NH1-OE1 2.66Å; R126-E130 PolarHBondContact NH1-OE1 2.91Å; R126-E130 IonicContact NH2-OE1 3.17Å; R126-E130 WeakPolarHBondContact O-CG 3.35Å; R126-E130 PolarHBondContact O-N 3.42Å; T127-E130 PolarHBondContact O-N 2.8Å; E130-K133 PolarHBondContact O-N 3.21Å; E130-V134 WeakPolarHBondContact O-CG2 3.42Å; E130-V134 PolarHBondContact O-N 3.39Å; E130-F150 HydrophobicContact CB-CZ 4.45Å; E130-F150 HydrophobicContact CG-CE2 4.37Å; E130-F150 HydrophobicContact CG-CZ 3.64Å
131I91.7Very high90.8Very high77 Ų7741 Ų4140%0.39523%0.226SC..Hα-helixtrans-62.5-48.9175.4-63.3163.4000110.8Y104 T127 L128 K133 V134 E135Y104-I131 HydrophobicContact CD1-CG2 4.02Å; Y104-I131 HydrophobicContact CE1-CG2 4.13Å; T127-I131 WeakPolarHBondContact O-CG1 3.48Å; T127-I131 PolarHBondContact O-N 2.59Å; T127-I131 VanDerWaalsContact O-N 3.1Å; L128-I131 PolarHBondContact O-N 2.7Å; I131-K133 VanDerWaalsContact C-N 3.33Å; I131-K133 PolarHBondContact O-N 3.43Å; I131-V134 PolarHBondContact O-N 2.92Å; I131-E135 PolarHBondContact O-N 2.81Å
132A92.3Very high90.3Very high0 Ų045.4 Ų45.40%025%0.25CC..Hα-helixtrans-63.2-35.4-179.900000113L83 F101 Y104 L123 L128 L136L83-A132 HydrophobicContact CD1-CB 3.88Å; F101-A132 HydrophobicContact CD1-CB 4.27Å; F101-A132 HydrophobicContact CE1-CB 4.26Å; Y104-A132 HydrophobicContact CD1-CB 4.15Å; Y104-A132 HydrophobicContact CD2-CB 3.47Å; Y104-A132 VanDerWaalsContact CD2-CB 3.47Å; Y104-A132 HydrophobicContact CE1-CB 4.47Å; Y104-A132 HydrophobicContact CE2-CB 3.84Å; Y104-A132 HydrophobicContact CG-CB 3.63Å; L123-A132 HydrophobicContact CD1-CB 3.73Å; L128-A132 VanDerWaalsContact O-CB 3.28Å; L128-A132 WeakPolarHBondContact O-CB 3.25Å; L128-A132 PolarHBondContact O-N 2.94Å; A132-L136 VanDerWaalsContact O-CB 3.32Å; A132-L136 WeakPolarHBondContact O-CB 3.42Å; A132-L136 PolarHBondContact O-N 2.98Å; A132-L136 VanDerWaalsContact O-N 3.12Å
133K92.4Very high89.9Confident25 Ų2552.9 Ų52.911%0.10929%0.289CS..Hα-helixtrans-57.5-56.3170.8176.8-170.1169.2-178.60109.9L83 A129 E130 I131 E135 D137 V148 F150 E240 D241L83-K133 HydrophobicContact CD2-CB 4.31Å; A129-K133 WeakPolarHBondContact O-CB 3.45Å; A129-K133 PolarHBondContact O-N 3.41Å; E130-K133 PolarHBondContact O-N 3.21Å; I131-K133 VanDerWaalsContact C-N 3.33Å; I131-K133 PolarHBondContact O-N 3.43Å; K133-E135 PolarHBondContact O-N 2.93Å; K133-D137 VanDerWaalsContact O-CB 3.24Å; K133-D137 WeakPolarHBondContact O-CB 3.49Å; K133-D137 PolarHBondContact O-N 2.77Å; K133-V148 HydrophobicContact CB-CG1 4.44Å; K133-F150 HydrophobicContact CD-CD2 4.1Å; K133-F150 HydrophobicContact CD-CE2 3.73Å; K133-E240 IonicContact NZ-OE2 2.65Å; K133-E240 PolarHBondContact NZ-OE2 3.03Å; K133-D241 IonicContact NZ-OD1 2.98Å
134V91.2Very high89.6Confident120 Ų12057.7 Ų57.773%0.72731%0.308SS*.Hα-helixtrans-65.3-37.3-171.9173.70000112.5E130 I131E130-V134 WeakPolarHBondContact O-CG2 3.42Å; E130-V134 PolarHBondContact O-N 3.39Å; I131-V134 PolarHBondContact O-N 2.92Å
135E91.3Very high89.6Confident110 Ų11057.2 Ų57.251%0.51431%0.314SS..Hα-helixtrans-86-25.6-176.8-172.1-177.4146.900113.8K103 Y104 I131 K133K103-E135 IonicContact NZ-OE1 2.84Å; K103-E135 PolarHBondContact NZ-OE1 3.38Å; Y104-E135 HydrophobicContact CE1-CB 4.3Å; Y104-E135 WeakPolarHBondContact CE1-OE2 3.49Å; Y104-E135 WeakPolarHBondContact OH-CB 3.3Å; Y104-E135 VanDerWaalsContact OH-CG 3.3Å; Y104-E135 WeakPolarHBondContact OH-CG 3.35Å; Y104-E135 PolarHBondContact OH-OE1 3.48Å; I131-E135 PolarHBondContact O-N 2.81Å; K133-E135 PolarHBondContact O-N 2.93Å
136L91.5Very high89.7Confident9 Ų956.8 Ų56.85%0.04731%0.311CS..Hα-helixtrans-100.2-20.3178.5-64.7-176.6000115.1F101 Y104 A132 G138 S139 V148F101-L136 HydrophobicContact CD1-CD1 3.86Å; F101-L136 HydrophobicContact CD2-CD1 4.37Å; F101-L136 HydrophobicContact CE1-CD1 3.4Å; F101-L136 VanDerWaalsContact CE1-CD1 3.4Å; F101-L136 HydrophobicContact CE2-CD1 3.96Å; F101-L136 HydrophobicContact CG-CD1 4.32Å; F101-L136 HydrophobicContact CZ-CD1 3.43Å; F101-L136 VanDerWaalsContact CZ-CD1 3.43Å; Y104-L136 HydrophobicContact CE2-CD1 3.68Å; Y104-L136 HydrophobicContact CE2-CD2 4.28Å; Y104-L136 HydrophobicContact CE2-CG 3.79Å; Y104-L136 WeakPolarHBondContact OH-CG 3.46Å; A132-L136 VanDerWaalsContact O-CB 3.32Å; A132-L136 WeakPolarHBondContact O-CB 3.42Å; A132-L136 PolarHBondContact O-N 2.98Å; A132-L136 VanDerWaalsContact O-N 3.12Å; L136-G138 PolarHBondContact O-N 2.95Å; L136-S139 VanDerWaalsContact O-CB 3.31Å; L136-S139 WeakPolarHBondContact O-CB 3.47Å; L136-S139 PolarHBondContact O-N 3.35Å; L136-S139 VanDerWaalsContact O-N 3.12Å; L136-S139 PolarHBondContact O-OG 3.47Å; L136-V148 HydrophobicContact CB-CG2 3.83Å
137D91.3Very high89.7Confident70 Ų7059 Ų5937%0.37432%0.323SS..THydrogen-bonded Turntrans-63.9132.2176.6-169.150.3000111.1K133 S139 K147 V148K133-D137 VanDerWaalsContact O-CB 3.24Å; K133-D137 WeakPolarHBondContact O-CB 3.49Å; K133-D137 PolarHBondContact O-N 2.77Å; D137-S139 PolarHBondContact O-N 3.03Å; D137-K147 VanDerWaalsContact OD1-CA 3.26Å; D137-K147 WeakPolarHBondContact OD1-CA 3.35Å; D137-V148 HydrophobicContact CB-CB 4.13Å; D137-V148 PolarHBondContact OD1-N 2.93Å
138G87.3Confident89.8Confident42 Ų4258 Ų5843%0.43332%0.316SS..THydrogen-bonded Turntrans74.8-7.5-174.100000115.8L136 L146L136-G138 PolarHBondContact O-N 2.95Å; G138-L146 WeakPolarHBondContact CA-O 3.33Å; G138-L146 PolarHBondContact N-O 2.95Å
139S90.8Very high89.9Confident38 Ų3861.7 Ų61.727%0.26633%0.33SS..  trans-60.9140.5176.467.10000111.4L136 D137 A145 L146L136-S139 VanDerWaalsContact O-CB 3.31Å; L136-S139 WeakPolarHBondContact O-CB 3.47Å; L136-S139 PolarHBondContact O-N 3.35Å; L136-S139 VanDerWaalsContact O-N 3.12Å; L136-S139 PolarHBondContact O-OG 3.47Å; D137-S139 PolarHBondContact O-N 3.03Å; S139-A145 CarbonylContact O-C 3.39Å; S139-A145 WeakPolarHBondContact O-CA 3.28Å; S139-L146 PolarHBondContact O-N 2.96Å
140V89.4Confident89.9Confident106 Ų10664 Ų6464%0.64234%0.34SS*.EExtended strand (participates in β ladder)trans-93.6119.7-173.9-177.60000110.6R144V140-R144 WeakPolarHBondContact CA-O 3.4Å
141L85.6Confident89.9Confident26 Ų2661.6 Ų61.614%0.13633%0.331CS..EExtended strand (participates in β ladder)trans-126.1123.9175.2-162.7156.5000109.1P89 I92 L100 N143 R144 L146P89-L141 HydrophobicContact CG-CD2 3.61Å; I92-L141 HydrophobicContact CD1-CD1 4.36Å; I92-L141 HydrophobicContact CD1-CD2 4.04Å; L100-L141 HydrophobicContact CD1-CD1 3.42Å; L100-L141 VanDerWaalsContact CD1-CD1 3.42Å; L100-L141 HydrophobicContact CD2-CD1 3.85Å; L100-L141 HydrophobicContact CG-CD1 4.21Å; L141-N143 VanDerWaalsContact C-N 3.29Å; L141-N143 PolarHBondContact O-N 2.84Å; L141-R144 PolarHBondContact N-O 2.89Å; L141-R144 PolarHBondContact O-N 2.98Å; L141-L146 HydrophobicContact CB-CD1 4.27Å; L141-L146 HydrophobicContact CB-CD2 4.14Å; L141-L146 HydrophobicContact CB-CG 4.15Å; L141-L146 HydrophobicContact CD1-CD1 4.23Å
142N82.9Confident89.8Confident92 Ų9262.5 Ų62.549%0.49234%0.34SS..THydrogen-bonded Turntrans45.749.8-175.4-60.91.2000112.9P89 D91 R144P89-N142 HydrophobicContact CB-CB 4.05Å; P89-N142 HydrophobicContact CG-CB 4.09Å; D91-N142 PolarHBondContact OD1-ND2 3.46Å; D91-N142 PolarHBondContact OD2-ND2 3.22Å; N142-R144 PolarHBondContact O-N 3.28Å
143N84.6Confident89.6Confident161 Ų16164 Ų6486%0.86135%0.347SS*.THydrogen-bonded Turntrans6018.4-176.4-62.5-24.2000115.8L141L141-N143 VanDerWaalsContact C-N 3.29Å; L141-N143 PolarHBondContact O-N 2.84Å
144R86.9Confident89.4Confident101 Ų10165 Ų6538%0.38136%0.364SS..EExtended strand (participates in β ladder)trans-115.9130.4171.5-61.9-175.9178-167.5-4.3110.3S87 L88 V140 L141 N142 L146S87-R144 WeakPolarHBondContact O-CB 3.33Å; L88-R144 PolarHBondContact O-NH1 2.73Å; V140-R144 WeakPolarHBondContact CA-O 3.4Å; L141-R144 PolarHBondContact N-O 2.89Å; L141-R144 PolarHBondContact O-N 2.98Å; N142-R144 PolarHBondContact O-N 3.28Å; R144-L146 PolarHBondContact O-N 3.09Å
145A88.9Confident89.5Confident50 Ų5059.3 Ų59.341%0.41333%0.329SS..EExtended strand (participates in β ladder)trans-72.4119.6168.300000109.1S87 S139S87-A145 VanDerWaalsContact CB-O 3.31Å; S87-A145 WeakPolarHBondContact CB-O 3.42Å; S87-A145 PolarHBondContact OG-O 3.03Å; S139-A145 CarbonylContact O-C 3.39Å; S139-A145 WeakPolarHBondContact O-CA 3.28Å
146L91.4Very high89.7Confident1 Ų154.6 Ų54.61%0.00531%0.31CS..  trans-63.8148.6173.9-61.7-173.8000110.2L88 G138 S139 L141 R144 V148L88-L146 HydrophobicContact CD2-CD2 3.83Å; G138-L146 WeakPolarHBondContact CA-O 3.33Å; G138-L146 PolarHBondContact N-O 2.95Å; S139-L146 PolarHBondContact O-N 2.96Å; L141-L146 HydrophobicContact CB-CD1 4.27Å; L141-L146 HydrophobicContact CB-CD2 4.14Å; L141-L146 HydrophobicContact CB-CG 4.15Å; L141-L146 HydrophobicContact CD1-CD1 4.23Å; R144-L146 PolarHBondContact O-N 3.09Å; L146-V148 HydrophobicContact CB-CG2 4.5Å
147K90Very high89.9Confident119 Ų11954.6 Ų54.652%0.51731%0.309SS..EExtended strand (participates in β ladder)trans-118.3101.9173.6-68.5-173.6178.7-178.30109.5V85 G86 D137V85-K147 CarbonylContact C-O 3.58Å; V85-K147 WeakPolarHBondContact CA-O 3.39Å; G86-K147 PolarHBondContact N-O 3.48Å; G86-K147 PolarHBondContact O-N 2.96Å; D137-K147 VanDerWaalsContact OD1-CA 3.26Å; D137-K147 WeakPolarHBondContact OD1-CA 3.35Å
148V92.9Very high90.2Very high0 Ų055.2 Ų55.20%031%0.309CS..EExtended strand (participates in β ladder)trans-104.3118.1-176.9-171.80000109.4L83 F84 V85 K133 L136 D137 L146L83-V148 HydrophobicContact CB-CG1 4.27Å; L83-V148 HydrophobicContact CD1-CG1 3.96Å; L83-V148 HydrophobicContact CD2-CG1 4.42Å; L83-V148 HydrophobicContact CG-CG1 4.46Å; F84-V148 WeakPolarHBondContact O-CA 3.36Å; V85-V148 HydrophobicContact CG1-CG2 4.27Å; V85-V148 HydrophobicContact CG2-CG2 4.45Å; K133-V148 HydrophobicContact CB-CG1 4.44Å; L136-V148 HydrophobicContact CB-CG2 3.83Å; D137-V148 HydrophobicContact CB-CB 4.13Å; D137-V148 PolarHBondContact OD1-N 2.93Å; L146-V148 HydrophobicContact CB-CG2 4.5Å
149R92Very high90.6Very high86 Ų8653.2 Ų53.233%0.32529%0.288SS..EExtended strand (participates in β ladder)trans-132.1164.5-180-68.5-176.9168.4-151.5-3.8109.9L83 F84 D238 D241L83-R149 CarbonylContact C-O 3.58Å; L83-R149 WeakPolarHBondContact CA-O 3.28Å; F84-R149 PolarHBondContact N-O 3.02Å; F84-R149 PolarHBondContact O-N 3.04Å; R149-D238 IonicContact CZ-OD2 3.81Å; R149-D238 IonicContact NH1-OD2 2.74Å; R149-D238 PolarHBondContact NH1-OD2 2.65Å; R149-D238 IonicContact NH2-OD2 3.26Å; R149-D241 IonicContact CZ-OD2 3.97Å; R149-D241 IonicContact NE-OD2 2.66Å; R149-D241 PolarHBondContact NE-OD2 2.8Å; R149-D241 VanDerWaalsContact NH2-CG 3.34Å; R149-D241 IonicContact NH2-OD2 3.03Å; R149-D241 PolarHBondContact NH2-OD2 2.81Å
150F91.9Very high90.8Very high49 Ų4955.6 Ų55.622%0.21529%0.291CS..EExtended strand (participates in β ladder)trans-64.7139.7164.4-73.9-73.9000110.2L83 A129 E130 K133L83-F150 HydrophobicContact CD2-CD1 3.83Å; L83-F150 HydrophobicContact CD2-CE1 3.84Å; L83-F150 HydrophobicContact CD2-CG 4.37Å; L83-F150 HydrophobicContact CD2-CZ 4.38Å; A129-F150 HydrophobicContact CB-CE1 3.93Å; E130-F150 HydrophobicContact CB-CZ 4.45Å; E130-F150 HydrophobicContact CG-CE2 4.37Å; E130-F150 HydrophobicContact CG-CZ 3.64Å; K133-F150 HydrophobicContact CD-CD2 4.1Å; K133-F150 HydrophobicContact CD-CE2 3.73Å
151A91.1Very high91Very high11 Ų1151.9 Ų51.99%0.09127%0.268CS..PPolyproline II helixtrans-69141.4171.400000109.5R82 F120 H153R82-A151 HydrophobicContact CB-CB 4.06Å; R82-A151 HydrophobicContact CG-CB 3.98Å; R82-A151 WeakPolarHBondContact O-CB 3.06Å; R82-A151 PolarHBondContact O-N 2.82Å; F120-A151 HydrophobicContact CD1-CB 3.87Å; F120-A151 HydrophobicContact CE1-CB 3.89Å; A151-H153 PolarHBondContact O-N 3.41Å
152T89.1Confident91.5Very high97 Ų9751.1 Ų51.160%0.59526%0.264SS*.PPolyproline II helixtrans-68.8126.2178.5590000110.1G154 H236T152-G154 PolarHBondContact O-N 3.17Å; T152-H236 VanDerWaalsContact CG2-CD2 3.47Å; T152-H236 WeakPolarHBondContact CG2-CD2 3.24Å
153H89.2Confident92Very high32 Ų3248 Ų4815%0.14825%0.247CC..  trans-77.183-174.5-168.6-61.7000111.3Q79 A151 A155 A156 E182Q79-H153 WeakPolarHBondContact CB-CD2 3.24Å; A151-H153 PolarHBondContact O-N 3.41Å; H153-A155 VanDerWaalsContact CE1-C 3.45Å; H153-A155 VanDerWaalsContact ND1-C 3.34Å; H153-A155 PolarHBondContact ND1-N 2.82Å; H153-A155 PolarHBondContact O-N 3.45Å; H153-A156 HydrophobicContact CB-CB 4.29Å; H153-A156 WeakPolarHBondContact ND1-CB 3.17Å; H153-A156 PolarHBondContact ND1-N 3.1Å; H153-A156 PolarHBondContact O-N 3.34Å; H153-E182 IonicContact NE2-OE2 3.57Å
154G87.3Confident92.4Very high44 Ų4445.5 Ų45.545%0.45424%0.24SC..THydrogen-bonded Turntrans-66.94.4-173.100000116.7T152 K205T152-G154 PolarHBondContact O-N 3.17Å; G154-K205 WeakPolarHBondContact O-CD 3.46Å
155A94.4Very high92.8Very high1 Ų145.6 Ų45.61%0.00825%0.252CS..THydrogen-bonded Turntrans-130.724.8179.600000113.2H153 F202 K205 A208H153-A155 VanDerWaalsContact CE1-C 3.45Å; H153-A155 VanDerWaalsContact ND1-C 3.34Å; H153-A155 PolarHBondContact ND1-N 2.82Å; H153-A155 PolarHBondContact O-N 3.45Å; A155-F202 HydrophobicContact CB-CB 4.24Å; A155-F202 VanDerWaalsContact CB-O 3.23Å; A155-F202 WeakPolarHBondContact CB-O 3.33Å; A155-F202 PolarHBondContact O-N 2.82Å; A155-K205 HydrophobicContact CB-CB 4.3Å; A155-A208 HydrophobicContact CB-CB 4.03Å
156A95Very high93.1Very high12 Ų1243.5 Ų43.510%0.09923%0.234CC..EExtended strand (participates in β ladder)trans-92.4137.5175.900000111.2H153 E201 M234H153-A156 HydrophobicContact CB-CB 4.29Å; H153-A156 WeakPolarHBondContact ND1-CB 3.17Å; H153-A156 PolarHBondContact ND1-N 3.1Å; H153-A156 PolarHBondContact O-N 3.34Å; A156-E201 HydrophobicContact CB-CG 4.16Å; A156-M234 HydrophobicContact CB-CB 3.78Å; A156-M234 HydrophobicContact CB-CG 4.38Å; A156-M234 HydrophobicContact CB-SD 3.9Å; A156-M234 WeakPolarHBondContact O-CB 3.35Å; A156-M234 PolarHBondContact O-N 2.83Å
157L96.2Very high93.4Very high8 Ų846.6 Ų46.64%0.04225%0.253CS..EExtended strand (participates in β ladder)trans-123.3144.1176.8-57.6179.4000110.2I199 V200 F202 A208 A211 V231 E232L157-I199 WeakPolarHBondContact O-CA 3.49Å; L157-V200 PolarHBondContact N-O 3.08Å; L157-V200 PolarHBondContact O-N 2.72Å; L157-F202 HydrophobicContact CD1-CD2 4.22Å; L157-F202 HydrophobicContact CD1-CE2 3.83Å; L157-A208 HydrophobicContact CD1-CB 4.33Å; L157-A208 WeakPolarHBondContact CD1-O 3.46Å; L157-A208 HydrophobicContact CD2-CB 4.39Å; L157-A208 HydrophobicContact CG-CB 4.29Å; L157-A211 HydrophobicContact CD1-CB 3.92Å; L157-V231 HydrophobicContact CB-CG1 4.03Å; L157-V231 HydrophobicContact CD1-CG1 3.66Å; L157-V231 HydrophobicContact CG-CG1 4.3Å; L157-E232 CarbonylContact C-O 3.58Å; L157-E232 WeakPolarHBondContact CA-O 3.4Å
158K96.6Very high93.7Very high83 Ų8343.9 Ų43.936%0.36124%0.243SC..EExtended strand (participates in β ladder)trans-98.9124172.2178.7-172.8178.3-165.80107.8R160 E232K158-R160 HydrophobicContact CG-CG 4.48Å; K158-E232 HydrophobicContact CB-CB 4.43Å; K158-E232 PolarHBondContact N-O 3.44Å; K158-E232 IonicContact NZ-OE2 3.85Å; K158-E232 PolarHBondContact O-N 3.35Å
159V96.4Very high93.8Very high0 Ų049.7 Ų49.70%027%0.271CS..EExtended strand (participates in β ladder)trans-103.1132.4176.5-168.50000108.5L162 F175 R197 G198 V200 T229 I230V159-L162 HydrophobicContact CG1-CD2 3.64Å; V159-L162 HydrophobicContact CG1-CG 4.16Å; V159-F175 HydrophobicContact CG1-CZ 4.22Å; V159-F175 HydrophobicContact CG2-CE1 4.14Å; V159-F175 HydrophobicContact CG2-CE2 4.23Å; V159-F175 HydrophobicContact CG2-CZ 3.7Å; V159-R197 CarbonylContact O-C 3.55Å; V159-R197 VanDerWaalsContact O-CA 3.28Å; V159-R197 WeakPolarHBondContact O-CA 3.25Å; V159-G198 PolarHBondContact N-O 3.28Å; V159-G198 PolarHBondContact O-N 3.43Å; V159-V200 HydrophobicContact CG2-CB 4.49Å; V159-V200 HydrophobicContact CG2-CG2 3.76Å; V159-T229 HydrophobicContact CG1-CG2 4.49Å; V159-I230 CarbonylContact C-O 3.57Å; V159-I230 WeakPolarHBondContact CA-O 3.15Å
160R95.5Very high94Very high88 Ų8848.3 Ų48.333%0.33227%0.27SS..EExtended strand (participates in β ladder)trans-121.3167.3175.5-58.2-164.9-70.8107-4.3109.8K158 L162 G196 I230 E232K158-R160 HydrophobicContact CG-CG 4.48Å; R160-L162 VanDerWaalsContact C-N 3.33Å; R160-G196 CarbonylContact C-O 3.43Å; R160-I230 HydrophobicContact CB-CB 4.26Å; R160-I230 PolarHBondContact N-O 2.91Å; R160-I230 PolarHBondContact O-N 3.09Å; R160-E232 WeakPolarHBondContact CD-OE2 3.38Å; R160-E232 IonicContact CZ-OE1 2.69Å; R160-E232 VanDerWaalsContact CZ-OE1 3.25Å; R160-E232 IonicContact CZ-OE2 2.78Å; R160-E232 IonicContact NE-OE1 2.69Å; R160-E232 PolarHBondContact NE-OE1 2.69Å; R160-E232 IonicContact NE-OE2 3.33Å; R160-E232 PolarHBondContact NE-OE2 2.78Å; R160-E232 IonicContact NH2-OE1 3.81Å; R160-E232 PolarHBondContact NH2-OE1 2.93Å; R160-E232 IonicContact NH2-OE2 3.04Å
161N94Very high94.3Very high29 Ų2946 Ų4616%0.15526%0.259CS..SBendtrans65.632.7179.4-159.740.9000113.8G196 C227 P228 I230 R300N161-G196 PolarHBondContact N-O 3.2Å; N161-C227 PolarHBondContact ND2-SG 3.32Å; N161-P228 PolarHBondContact ND2-O 3.11Å; N161-I230 HydrophobicContact CB-CD1 4.09Å; N161-I230 HydrophobicContact CB-CG1 4.12Å; N161-R300 PolarHBondContact OD1-NH1 3.01Å; N161-R300 PolarHBondContact OD1-NH2 3.32Å
162L95Very high94.5Very high9 Ų948.4 Ų48.45%0.04727%0.269CS..  trans-74.7140.5172-60.3-178.1000110.5V159 R160 V166 L171 V186 G196 L222 T229V159-L162 HydrophobicContact CG1-CD2 3.64Å; V159-L162 HydrophobicContact CG1-CG 4.16Å; R160-L162 VanDerWaalsContact C-N 3.33Å; L162-V166 HydrophobicContact CD2-CG1 4.43Å; L162-L171 HydrophobicContact CD1-CD1 4.38Å; L162-L171 HydrophobicContact CD1-CD2 4.24Å; L162-L171 HydrophobicContact CD2-CD1 4.09Å; L162-V186 HydrophobicContact CD1-CG1 4.39Å; L162-V186 HydrophobicContact CD1-CG2 4.12Å; L162-G196 PolarHBondContact N-O 3.25Å; L162-G196 VanDerWaalsContact O-CA 3.28Å; L162-G196 WeakPolarHBondContact O-CA 3.29Å; L162-L222 HydrophobicContact CD2-CD1 3.77Å; L162-T229 HydrophobicContact CD2-CG2 3.75Å
163L93.2Very high94.9Very high26 Ų2650.4 Ų50.414%0.13627%0.271CS..  trans-76155.1170.3-64-177.6000111.2V165 V166 T223 T225 C227L163-V165 HydrophobicContact CB-CG2 4.16Å; L163-V165 PolarHBondContact O-N 2.8Å; L163-V165 VanDerWaalsContact O-N 3.08Å; L163-V166 HydrophobicContact CB-CG2 4.39Å; L163-V166 PolarHBondContact O-N 2.69Å; L163-V166 VanDerWaalsContact O-N 3.09Å; L163-T223 HydrophobicContact CD1-CG2 4.31Å; L163-T223 VanDerWaalsContact CD1-OG1 3.31Å; L163-T223 WeakPolarHBondContact CD1-OG1 3.28Å; L163-T225 HydrophobicContact CD1-CG2 4.21Å; L163-C227 HydrophobicContact CD1-CB 4.25Å; L163-C227 HydrophobicContact CD2-CB 4.08Å; L163-C227 HydrophobicContact CG-CB 4.17Å
164P93.2Very high95.2Very high109 Ų10949.8 Ų49.871%0.70827%0.272SS*.THydrogen-bonded Turntrans-61-19.9-178.7-25.135.3000115.3
165V94.8Very high95.6Very high104 Ų10447.7 Ų47.763%0.6325%0.25SS*.THydrogen-bonded Turntrans-83.3-8.7179.1-60.60000114L163 T167 T223L163-V165 HydrophobicContact CB-CG2 4.16Å; L163-V165 PolarHBondContact O-N 2.8Å; L163-V165 VanDerWaalsContact O-N 3.08Å; V165-T167 PolarHBondContact O-N 3.33Å; V165-T223 HydrophobicContact CG2-CG2 3.94Å
166V96.4Very high95.7Very high6 Ų650.6 Ų50.64%0.03627%0.271CS..  trans-76.7123.3179.1-179.50000109.3L162 L163 L170 L171 V186 L222 T223L162-V166 HydrophobicContact CD2-CG1 4.43Å; L163-V166 HydrophobicContact CB-CG2 4.39Å; L163-V166 PolarHBondContact O-N 2.69Å; L163-V166 VanDerWaalsContact O-N 3.09Å; V166-L170 HydrophobicContact CG1-CD2 4.42Å; V166-L171 HydrophobicContact CG1-CB 4.29Å; V166-V186 HydrophobicContact CG1-CG2 4.36Å; V166-L222 HydrophobicContact CG1-CD1 3.86Å; V166-L222 HydrophobicContact CG2-CB 4.36Å; V166-L222 HydrophobicContact CG2-CD1 4.18Å; V166-T223 HydrophobicContact CG2-CG2 4.15Å
167T96.7Very high95.7Very high66 Ų6655.8 Ų55.841%0.40529%0.293SS..  trans-97.5174.6176.978.50000111.8V165 E169 L170 L171V165-T167 PolarHBondContact O-N 3.33Å; T167-E169 VanDerWaalsContact C-N 3.29Å; T167-E169 WeakPolarHBondContact CB-OE2 3.47Å; T167-E169 PolarHBondContact O-N 3.24Å; T167-E169 PolarHBondContact OG1-N 2.83Å; T167-E169 PolarHBondContact OG1-OE2 2.85Å; T167-L170 PolarHBondContact OG1-N 3.15Å; T167-L171 WeakPolarHBondContact O-CB 3.39Å; T167-L171 PolarHBondContact O-N 3.43Å; T167-L171 VanDerWaalsContact O-N 3.11Å
168N96.2Very high95.7Very high61 Ų6155.9 Ų55.933%0.32629%0.293SS..Hα-helixtrans-62.1-41176.4-58.5-34.9000111.3L171 E172 V185 V186N168-L171 PolarHBondContact O-N 3.34Å; N168-E172 PolarHBondContact O-N 3.04Å; N168-V185 WeakPolarHBondContact OD1-CA 3.44Å; N168-V186 PolarHBondContact OD1-N 3.06Å
169E95.7Very high95.7Very high122 Ų12252.7 Ų52.757%0.5728%0.284SS*.Hα-helixtrans-70.5-45-175.2-53.769.6-149.100110.4T167 L171 E172 E173T167-E169 VanDerWaalsContact C-N 3.29Å; T167-E169 WeakPolarHBondContact CB-OE2 3.47Å; T167-E169 PolarHBondContact O-N 3.24Å; T167-E169 PolarHBondContact OG1-N 2.83Å; T167-E169 PolarHBondContact OG1-OE2 2.85Å; E169-L171 VanDerWaalsContact C-N 3.29Å; E169-L171 PolarHBondContact O-N 3.45Å; E169-E172 PolarHBondContact O-N 3.12Å; E169-E173 WeakPolarHBondContact O-CB 3.38Å; E169-E173 PolarHBondContact O-N 3.47Å
170L96.7Very high95.7Very high58 Ų5856.9 Ų56.930%0.30431%0.311SS..Hα-helixtrans-63-37.2174.3-178.263.8000111.6V166 T167 A174V166-L170 HydrophobicContact CG1-CD2 4.42Å; T167-L170 PolarHBondContact OG1-N 3.15Å; L170-A174 VanDerWaalsContact O-CB 3.27Å; L170-A174 WeakPolarHBondContact O-CB 3.44Å; L170-A174 PolarHBondContact O-N 3.08Å
171L96.9Very high95.7Very high0 Ų053.1 Ų53.10%030%0.298CS..Hα-helixtrans-68.5-37.9175.5-169.967.6000111.6L162 V166 T167 N168 E169 F175 A184 V186 V200 L222L162-L171 HydrophobicContact CD1-CD1 4.38Å; L162-L171 HydrophobicContact CD1-CD2 4.24Å; L162-L171 HydrophobicContact CD2-CD1 4.09Å; V166-L171 HydrophobicContact CG1-CB 4.29Å; T167-L171 WeakPolarHBondContact O-CB 3.39Å; T167-L171 PolarHBondContact O-N 3.43Å; T167-L171 VanDerWaalsContact O-N 3.11Å; N168-L171 PolarHBondContact O-N 3.34Å; E169-L171 VanDerWaalsContact C-N 3.29Å; E169-L171 PolarHBondContact O-N 3.45Å; L171-F175 HydrophobicContact CD1-CD2 3.83Å; L171-F175 HydrophobicContact CD1-CE2 3.61Å; L171-F175 HydrophobicContact CG-CD2 4.37Å; L171-F175 WeakPolarHBondContact O-CD2 3.39Å; L171-F175 PolarHBondContact O-N 2.78Å; L171-A184 HydrophobicContact CB-CB 4.12Å; L171-A184 HydrophobicContact CD2-CB 4.15Å; L171-A184 HydrophobicContact CG-CB 4.05Å; L171-V186 HydrophobicContact CD2-CG2 4.1Å; L171-V200 HydrophobicContact CD1-CG2 4.34Å; L171-V200 HydrophobicContact CD2-CG2 3.91Å; L171-V200 HydrophobicContact CG-CG2 3.88Å; L171-L222 HydrophobicContact CD1-CD1 3.92Å
172E96.3Very high95.7Very high61 Ų6152.9 Ų52.929%0.28530%0.296SS..Hα-helixtrans-65.4-50.1174.5-173.8169.9154.500111.6K75 N168 E169 A174 F175 S176 V181 A184K75-E172 WeakPolarHBondContact CE-OE1 3.35Å; K75-E172 IonicContact NZ-OE1 3.8Å; K75-E172 PolarHBondContact NZ-OE1 2.96Å; N168-E172 PolarHBondContact O-N 3.04Å; E169-E172 PolarHBondContact O-N 3.12Å; E172-A174 PolarHBondContact O-N 2.82Å; E172-F175 PolarHBondContact O-N 2.87Å; E172-S176 WeakPolarHBondContact O-CB 3.47Å; E172-S176 PolarHBondContact O-N 3.45Å; E172-V181 HydrophobicContact CG-CB 4.16Å; E172-V181 HydrophobicContact CG-CG1 3.95Å; E172-A184 HydrophobicContact CB-CB 3.84Å
173E96.4Very high95.6Very high140 Ų14055.5 Ų55.565%0.65431%0.305SS*.Hα-helixtrans-57.1-50.3179.3-175.4179179.100110.9E169 F175 S176E169-E173 WeakPolarHBondContact O-CB 3.38Å; E169-E173 PolarHBondContact O-N 3.47Å; E173-F175 PolarHBondContact O-N 2.83Å; E173-S176 WeakPolarHBondContact O-CB 3.49Å; E173-S176 PolarHBondContact O-N 3.23Å; E173-S176 PolarHBondContact O-OG 2.67Å
174A95.9Very high95.8Very high19 Ų1954.5 Ų54.516%0.15730%0.301CS..Hα-helixtrans-64-36.6-178.500000113.6L170 E172 Q177 M220 L222L170-A174 VanDerWaalsContact O-CB 3.27Å; L170-A174 WeakPolarHBondContact O-CB 3.44Å; L170-A174 PolarHBondContact O-N 3.08Å; E172-A174 PolarHBondContact O-N 2.82Å; A174-Q177 VanDerWaalsContact O-CG 3.23Å; A174-Q177 WeakPolarHBondContact O-CG 3.34Å; A174-M220 HydrophobicContact CB-CE 4.25Å; A174-M220 WeakPolarHBondContact O-CE 3.4Å; A174-L222 HydrophobicContact CB-CD2 3.33Å
175F96.7Very high95.9Very high0 Ų051.3 Ų51.30%028%0.279CS..Hα-helixtrans-82.8-19178.1-81.6-104.2000113.1V159 L171 E172 E173 Q177 F178 V181 V200 F202 A211 M220 V231V159-F175 HydrophobicContact CG1-CZ 4.22Å; V159-F175 HydrophobicContact CG2-CE1 4.14Å; V159-F175 HydrophobicContact CG2-CE2 4.23Å; V159-F175 HydrophobicContact CG2-CZ 3.7Å; L171-F175 HydrophobicContact CD1-CD2 3.83Å; L171-F175 HydrophobicContact CD1-CE2 3.61Å; L171-F175 HydrophobicContact CG-CD2 4.37Å; L171-F175 WeakPolarHBondContact O-CD2 3.39Å; L171-F175 PolarHBondContact O-N 2.78Å; E172-F175 PolarHBondContact O-N 2.87Å; E173-F175 PolarHBondContact O-N 2.83Å; F175-Q177 PolarHBondContact O-N 3.3Å; F175-Q177 VanDerWaalsContact O-N 3.15Å; F175-F178 HydrophobicContact CD1-CD2 4.08Å; F175-F178 HydrophobicContact CD1-CE2 4.12Å; F175-F178 HydrophobicContact CE1-CE2 4.37Å; F175-F178 HydrophobicContact CG-CD2 4.49Å; F175-F178 WeakPolarHBondContact O-CD2 3.44Å; F175-F178 PolarHBondContact O-N 2.71Å; F175-V181 HydrophobicContact CB-CG2 4.01Å; F175-V200 HydrophobicContact CB-CG1 3.83Å; F175-V200 HydrophobicContact CB-CG2 4.5Å; F175-V200 HydrophobicContact CD1-CB 4.32Å; F175-V200 HydrophobicContact CD1-CG1 3.95Å; F175-V200 HydrophobicContact CD1-CG2 4.15Å; F175-V200 HydrophobicContact CD2-CG2 4.15Å; F175-V200 HydrophobicContact CE1-CG2 4.46Å; F175-V200 HydrophobicContact CE2-CG2 4.46Å; F175-V200 HydrophobicContact CG-CB 4.48Å; F175-V200 HydrophobicContact CG-CG1 3.97Å; F175-V200 HydrophobicContact CG-CG2 3.99Å; F175-F202 HydrophobicContact CB-CZ 3.95Å; F175-F202 HydrophobicContact CD1-CE2 4.06Å; F175-F202 AromaticContact CD1-CZ 3.92Å; F175-F202 HydrophobicContact CD1-CZ 3.92Å; F175-F202 HydrophobicContact CG-CZ 4.45Å; F175-F202 WeakPolarHBondContact O-CE1 3.37Å; F175-A211 HydrophobicContact CD1-CB 4.46Å; F175-M220 HydrophobicContact CE2-SD 4.05Å; F175-M220 HydrophobicContact CZ-SD 4.02Å; F175-V231 HydrophobicContact CE1-CG1 4.45Å; F175-V231 HydrophobicContact CE1-CG2 3.93Å; F175-V231 HydrophobicContact CZ-CG2 3.77Å
176S96.7Very high96Very high62 Ų6246.9 Ų46.943%0.43425%0.252SS..Hα-helixtrans-57.9-26.9175.679.30000113.5E172 E173 F178 G179E172-S176 WeakPolarHBondContact O-CB 3.47Å; E172-S176 PolarHBondContact O-N 3.45Å; E173-S176 WeakPolarHBondContact O-CB 3.49Å; E173-S176 PolarHBondContact O-N 3.23Å; E173-S176 PolarHBondContact O-OG 2.67Å; S176-F178 PolarHBondContact O-N 3.44Å; S176-F178 VanDerWaalsContact O-N 3.13Å; S176-G179 WeakPolarHBondContact CA-O 3.44Å; S176-G179 CarbonylContact O-C 3.46Å; S176-G179 PolarHBondContact O-N 3.35Å; S176-G179 VanDerWaalsContact O-N 3.1Å
177Q95.4Very high96Very high120 Ų12048.7 Ų48.756%0.56126%0.263SS*.THydrogen-bonded Turntrans-59.7-24.1176.479.8-177.817.900113.6A174 F175 M220A174-Q177 VanDerWaalsContact O-CG 3.23Å; A174-Q177 WeakPolarHBondContact O-CG 3.34Å; F175-Q177 PolarHBondContact O-N 3.3Å; F175-Q177 VanDerWaalsContact O-N 3.15Å; Q177-M220 VanDerWaalsContact NE2-CE 3.29Å
178F95.8Very high95.9Very high10 Ų1049.2 Ų49.24%0.04427%0.266CS..THydrogen-bonded Turntrans-84.6-33.8178.4-57.5-62.3000111.7F175 S176 F202 K210 A211 R214 M220F175-F178 HydrophobicContact CD1-CD2 4.08Å; F175-F178 HydrophobicContact CD1-CE2 4.12Å; F175-F178 HydrophobicContact CE1-CE2 4.37Å; F175-F178 HydrophobicContact CG-CD2 4.49Å; F175-F178 WeakPolarHBondContact O-CD2 3.44Å; F175-F178 PolarHBondContact O-N 2.71Å; S176-F178 PolarHBondContact O-N 3.44Å; S176-F178 VanDerWaalsContact O-N 3.13Å; F178-F202 HydrophobicContact CB-CE1 4.11Å; F178-F202 HydrophobicContact CB-CZ 4.09Å; F178-F202 HydrophobicContact CD2-CZ 4.27Å; F178-K210 HydrophobicContact CD1-CG 4.43Å; F178-K210 PolarHBondContact O-NZ 2.89Å; F178-A211 HydrophobicContact CB-CB 3.87Å; F178-A211 HydrophobicContact CD1-CB 4.25Å; F178-A211 HydrophobicContact CD2-CB 3.41Å; F178-A211 VanDerWaalsContact CD2-CB 3.41Å; F178-A211 HydrophobicContact CE2-CB 3.91Å; F178-A211 HydrophobicContact CG-CB 3.58Å; F178-R214 HydrophobicContact CD1-CB 4.36Å; F178-R214 HydrophobicContact CD1-CG 4.31Å; F178-R214 HydrophobicContact CE1-CB 3.55Å; F178-R214 HydrophobicContact CE1-CG 3.84Å; F178-R214 HydrophobicContact CZ-CB 4.15Å; F178-M220 HydrophobicContact CE2-CE 3.62Å; F178-M220 HydrophobicContact CE2-SD 3.75Å; F178-M220 HydrophobicContact CZ-CE 3.81Å; F178-M220 HydrophobicContact CZ-SD 3.9Å
179G95.6Very high95.9Very high17 Ų1748.1 Ų48.118%0.17526%0.26CS..SBendtrans164.5-176.3176.600000111.7S176 V181S176-G179 WeakPolarHBondContact CA-O 3.44Å; S176-G179 CarbonylContact O-C 3.46Å; S176-G179 PolarHBondContact O-N 3.35Å; S176-G179 VanDerWaalsContact O-N 3.1Å; G179-V181 PolarHBondContact O-N 2.82Å; G179-V181 VanDerWaalsContact O-N 3.17Å
180P95.8Very high95.9Very high88 Ų8849.6 Ų49.657%0.57127%0.272SS*.  trans-61.8117.4-176.723.9-33.7000112.5A203P180-A203 HydrophobicContact CB-CB 4.25Å; P180-A203 HydrophobicContact CG-CB 4.15Å; P180-A203 PolarHBondContact O-N 2.69Å
181V96.3Very high95.8Very high9 Ų955.8 Ų55.86%0.05529%0.292CS..EExtended strand (participates in β ladder)trans-85.6131.5171.8176.60000108.7K75 E172 F175 G179 R183 A184 V200 F202K75-V181 PolarHBondContact NZ-O 3.42Å; E172-V181 HydrophobicContact CG-CB 4.16Å; E172-V181 HydrophobicContact CG-CG1 3.95Å; F175-V181 HydrophobicContact CB-CG2 4.01Å; G179-V181 PolarHBondContact O-N 2.82Å; G179-V181 VanDerWaalsContact O-N 3.17Å; V181-R183 VanDerWaalsContact CG1-C 3.48Å; V181-R183 WeakPolarHBondContact CG1-O 3.47Å; V181-A184 HydrophobicContact CG1-CB 4.41Å; V181-V200 HydrophobicContact CG1-CG1 4.16Å; V181-V200 HydrophobicContact CG2-CG1 4.22Å; V181-F202 HydrophobicContact CG2-CD1 3.95Å; V181-F202 HydrophobicContact CG2-CE1 3.63Å; V181-F202 HydrophobicContact CG2-CZ 4.17Å
182E93.8Very high95.5Very high23 Ų2358.3 Ų58.311%0.10732%0.318CS..EExtended strand (participates in β ladder)trans-80.1-39.7171.2-70.1-175.8178.200111.1K75 T78 Q79 H153 E201 A203K75-E182 WeakPolarHBondContact CD-O 3.17Å; K75-E182 WeakPolarHBondContact CE-O 3.26Å; T78-E182 WeakPolarHBondContact CA-OE2 3.46Å; T78-E182 WeakPolarHBondContact CB-OE2 3.31Å; T78-E182 HydrophobicContact CG2-CB 3.88Å; T78-E182 HydrophobicContact CG2-CG 4.01Å; Q79-E182 PolarHBondContact N-OE1 3.01Å; Q79-E182 PolarHBondContact N-OE2 2.94Å; Q79-E182 PolarHBondContact NE2-OE1 3.32Å; H153-E182 IonicContact NE2-OE2 3.57Å; E182-E201 PolarHBondContact N-O 2.86Å; E182-A203 HydrophobicContact CG-CB 3.73Å; E182-A203 VanDerWaalsContact OE1-CA 3.31Å; E182-A203 WeakPolarHBondContact OE1-CA 3.49Å
183R93.5Very high95.4Very high64 Ų6462.4 Ų62.424%0.24233%0.331CS..EExtended strand (participates in β ladder)trans-161143.8178.9162174.4163-98.2-11.1110.9V181 V185 E201V181-R183 VanDerWaalsContact CG1-C 3.48Å; V181-R183 WeakPolarHBondContact CG1-O 3.47Å; R183-V185 HydrophobicContact CG-CG2 3.96Å; R183-E201 WeakPolarHBondContact CB-OE2 3.21Å; R183-E201 WeakPolarHBondContact CD-OE2 3.33Å; R183-E201 IonicContact CZ-OE1 3.03Å; R183-E201 IonicContact CZ-OE2 2.65Å; R183-E201 PolarHBondContact N-O 3.45Å; R183-E201 IonicContact NE-OE2 2.77Å; R183-E201 IonicContact NH1-OE1 2.59Å; R183-E201 PolarHBondContact NH1-OE1 3.08Å; R183-E201 IonicContact NH1-OE2 3.79Å; R183-E201 PolarHBondContact NH1-OE2 2.96Å; R183-E201 PolarHBondContact O-N 3.27Å
184A96.4Very high95.3Very high6 Ų657.4 Ų57.45%0.0531%0.311CS..EExtended strand (participates in β ladder)trans-124.4139.216200000110L171 E172 V181 I199 V200L171-A184 HydrophobicContact CB-CB 4.12Å; L171-A184 HydrophobicContact CD2-CB 4.15Å; L171-A184 HydrophobicContact CG-CB 4.05Å; E172-A184 HydrophobicContact CB-CB 3.84Å; V181-A184 HydrophobicContact CG1-CB 4.41Å; A184-I199 CarbonylContact C-O 3.49Å; A184-I199 WeakPolarHBondContact CA-O 3.41Å; A184-V200 HydrophobicContact CB-CG2 4.22Å
185V95.9Very high95.2Very high41 Ų4158.7 Ų58.725%0.24832%0.317CS..EExtended strand (participates in β ladder)trans-141.8129.6176.3171.80000110.7N168 R183 G198 I199N168-V185 WeakPolarHBondContact OD1-CA 3.44Å; R183-V185 HydrophobicContact CG-CG2 3.96Å; V185-G198 CarbonylContact O-C 3.58Å; V185-G198 WeakPolarHBondContact O-CA 2.99Å; V185-I199 PolarHBondContact N-O 3.49Å; V185-I199 PolarHBondContact O-N 3.28Å
186V97Very high95.1Very high11 Ų1159.5 Ų59.57%0.06733%0.325CS..EExtended strand (participates in β ladder)trans-82.2127167.4-178.90000108.5L162 V166 N168 L171 T188 S194L162-V186 HydrophobicContact CD1-CG1 4.39Å; L162-V186 HydrophobicContact CD1-CG2 4.12Å; V166-V186 HydrophobicContact CG1-CG2 4.36Å; N168-V186 PolarHBondContact OD1-N 3.06Å; L171-V186 HydrophobicContact CD2-CG2 4.1Å; V186-T188 PolarHBondContact O-N 3.19Å; V186-S194 WeakPolarHBondContact CG1-OG 3.4Å
187V96.3Very high95Very high44 Ų4462.4 Ų62.427%0.26733%0.327SS..EExtended strand (participates in β ladder)trans-79.8115.4-177.5179.20000109T195 R197 I199V187-T195 WeakPolarHBondContact O-CB 3.37Å; V187-T195 WeakPolarHBondContact O-CG2 3.41Å; V187-T195 PolarHBondContact O-N 3.39Å; V187-T195 PolarHBondContact O-OG1 3.08Å; V187-R197 HydrophobicContact CB-CB 4.42Å; V187-R197 PolarHBondContact N-O 2.86Å; V187-I199 HydrophobicContact CG2-CD1 4.29Å; V187-I199 HydrophobicContact CG2-CG1 4.27Å
188T95.5Very high95.1Very high78 Ų7856.7 Ų56.748%0.47930%0.3SS..EExtended strand (participates in β ladder)trans-91.2160.917553.30000112.8V186 G192 R193V186-T188 PolarHBondContact O-N 3.19Å; T188-G192 WeakPolarHBondContact CG2-O 3.32Å; T188-R193 CarbonylContact C-O 3.53Å; T188-R193 WeakPolarHBondContact CA-O 3.28Å
189D94.9Very high95.1Very high37 Ų3757.9 Ų57.920%0.19831%0.307CS..  trans-80.1179.4166.872.82.2000111.6R191 G192 R193 T195D189-R191 PolarHBondContact O-N 3.5Å; D189-R191 VanDerWaalsContact O-N 3.11Å; D189-R191 VanDerWaalsContact OD1-C 3.24Å; D189-R191 VanDerWaalsContact OD1-CA 3.3Å; D189-R191 WeakPolarHBondContact OD1-CA 3.12Å; D189-R191 WeakPolarHBondContact OD1-CB 3.32Å; D189-R191 PolarHBondContact OD1-N 3.26Å; D189-G192 PolarHBondContact O-N 2.98Å; D189-G192 PolarHBondContact OD1-N 3.22Å; D189-R193 PolarHBondContact N-O 3.48Å; D189-R193 WeakPolarHBondContact OD1-CB 3.35Å; D189-R193 PolarHBondContact OD1-N 3.22Å; D189-R193 IonicContact OD1-NE 3.23Å; D189-R193 IonicContact OD2-CZ 2.8Å; D189-R193 IonicContact OD2-NE 3.97Å; D189-R193 PolarHBondContact OD2-NE 3.03Å; D189-R193 IonicContact OD2-NH2 2.97Å; D189-R193 PolarHBondContact OD2-NH2 3.48Å; D189-T195 HydrophobicContact CB-CG2 4.08Å
190D95.6Very high95.2Very high154 Ų15457 Ų5782%0.82430%0.298SS*.THydrogen-bonded Turntrans-58.3-17.5175.262.7-50.1000113.7
191R94.6Very high95.2Very high187 Ų18753.5 Ų53.571%0.70627%0.274SS*.THydrogen-bonded Turntrans-103.87.5179.7-40.8-176.185.5-1756.7112.2D189 R193D189-R191 PolarHBondContact O-N 3.5Å; D189-R191 VanDerWaalsContact O-N 3.11Å; D189-R191 VanDerWaalsContact OD1-C 3.24Å; D189-R191 VanDerWaalsContact OD1-CA 3.3Å; D189-R191 WeakPolarHBondContact OD1-CA 3.12Å; D189-R191 WeakPolarHBondContact OD1-CB 3.32Å; D189-R191 PolarHBondContact OD1-N 3.26Å; R191-R193 VanDerWaalsContact C-N 3.34Å; R191-R193 HydrophobicContact CB-CG 4.47Å; R191-R193 PolarHBondContact O-N 3.3Å
192G91.9Very high95.2Very high53 Ų5353 Ų5355%0.54627%0.271SS..SBendtrans77.49179.500000115.4T188 D189T188-G192 WeakPolarHBondContact CG2-O 3.32Å; D189-G192 PolarHBondContact O-N 2.98Å; D189-G192 PolarHBondContact OD1-N 3.22Å
193R93.7Very high95.2Very high148 Ų14854.1 Ų54.156%0.55828%0.284SS*.  trans-86.5141.7179.7-54.3177.5-62.8168.44.3110.3T188 D189 R191 T195T188-R193 CarbonylContact C-O 3.53Å; T188-R193 WeakPolarHBondContact CA-O 3.28Å; D189-R193 PolarHBondContact N-O 3.48Å; D189-R193 WeakPolarHBondContact OD1-CB 3.35Å; D189-R193 PolarHBondContact OD1-N 3.22Å; D189-R193 IonicContact OD1-NE 3.23Å; D189-R193 IonicContact OD2-CZ 2.8Å; D189-R193 IonicContact OD2-NE 3.97Å; D189-R193 PolarHBondContact OD2-NE 3.03Å; D189-R193 IonicContact OD2-NH2 2.97Å; D189-R193 PolarHBondContact OD2-NH2 3.48Å; R191-R193 VanDerWaalsContact C-N 3.34Å; R191-R193 HydrophobicContact CB-CG 4.47Å; R191-R193 PolarHBondContact O-N 3.3Å; R193-T195 PolarHBondContact O-N 3.3Å
194S94.3Very high95.1Very high35 Ų3553.3 Ų53.325%0.24529%0.289CS..EExtended strand (participates in β ladder)trans-59131.1176.8177.20000111.8V186 G196V186-S194 WeakPolarHBondContact CG1-OG 3.4Å; S194-G196 PolarHBondContact O-N 2.81Å; S194-G196 PolarHBondContact OG-N 2.86Å
195T94.1Very high95Very high46 Ų4659 Ų5928%0.28231%0.312SS..EExtended strand (participates in β ladder)trans-85.49.2174.767.20000113.3V187 D189 R193 R197V187-T195 WeakPolarHBondContact O-CB 3.37Å; V187-T195 WeakPolarHBondContact O-CG2 3.41Å; V187-T195 PolarHBondContact O-N 3.39Å; V187-T195 PolarHBondContact O-OG1 3.08Å; D189-T195 HydrophobicContact CB-CG2 4.08Å; R193-T195 PolarHBondContact O-N 3.3Å; T195-R197 PolarHBondContact O-N 3.39Å; T195-R197 PolarHBondContact OG1-NE 3.2Å; T195-R197 VanDerWaalsContact OG1-NE 3.08Å; T195-R197 PolarHBondContact OG1-NH2 3.41Å
196G93.4Very high95Very high17 Ų1761.4 Ų61.418%0.17533%0.326CS..EExtended strand (participates in β ladder)trans66.917.6-175.100000114.1R160 N161 L162 S194R160-G196 CarbonylContact C-O 3.43Å; N161-G196 PolarHBondContact N-O 3.2Å; L162-G196 PolarHBondContact N-O 3.25Å; L162-G196 VanDerWaalsContact O-CA 3.28Å; L162-G196 WeakPolarHBondContact O-CA 3.29Å; S194-G196 PolarHBondContact O-N 2.81Å; S194-G196 PolarHBondContact OG-N 2.86Å
197R96.1Very high94.9Very high122 Ų12261.2 Ų61.246%0.4633%0.326SS..EExtended strand (participates in β ladder)trans-128.6149.7-179.4-60.3174.3-62.4178.74.5109.7V159 V187 T195V159-R197 CarbonylContact O-C 3.55Å; V159-R197 VanDerWaalsContact O-CA 3.28Å; V159-R197 WeakPolarHBondContact O-CA 3.25Å; V187-R197 HydrophobicContact CB-CB 4.42Å; V187-R197 PolarHBondContact N-O 2.86Å; T195-R197 PolarHBondContact O-N 3.39Å; T195-R197 PolarHBondContact OG1-NE 3.2Å; T195-R197 VanDerWaalsContact OG1-NE 3.08Å; T195-R197 PolarHBondContact OG1-NH2 3.41Å
198G96.4Very high94.9Very high1 Ų159.3 Ų59.31%0.0132%0.315CS..EExtended strand (participates in β ladder)trans-145.8169.8175.500000112.1V159 V185V159-G198 PolarHBondContact N-O 3.28Å; V159-G198 PolarHBondContact O-N 3.43Å; V185-G198 CarbonylContact O-C 3.58Å; V185-G198 WeakPolarHBondContact O-CA 2.99Å
199I96.6Very high95Very high34 Ų3461.7 Ų61.717%0.17432%0.315CS..EExtended strand (participates in β ladder)trans-126.8130.7177-58.8170.9000106.9L157 A184 V185 V187 E201 M234L157-I199 WeakPolarHBondContact O-CA 3.49Å; A184-I199 CarbonylContact C-O 3.49Å; A184-I199 WeakPolarHBondContact CA-O 3.41Å; V185-I199 PolarHBondContact N-O 3.49Å; V185-I199 PolarHBondContact O-N 3.28Å; V187-I199 HydrophobicContact CG2-CD1 4.29Å; V187-I199 HydrophobicContact CG2-CG1 4.27Å; I199-E201 HydrophobicContact CG2-CG 4.15Å; I199-M234 HydrophobicContact CD1-CE 4.04Å; I199-M234 HydrophobicContact CG2-CE 4.5Å; I199-M234 HydrophobicContact CG2-SD 3.83Å
200V96.8Very high95Very high0 Ų063.7 Ų63.70%032%0.322CS..EExtended strand (participates in β ladder)trans-124.4121.6174.9179.90000108.7L157 V159 L171 F175 V181 A184 F202L157-V200 PolarHBondContact N-O 3.08Å; L157-V200 PolarHBondContact O-N 2.72Å; V159-V200 HydrophobicContact CG2-CB 4.49Å; V159-V200 HydrophobicContact CG2-CG2 3.76Å; L171-V200 HydrophobicContact CD1-CG2 4.34Å; L171-V200 HydrophobicContact CD2-CG2 3.91Å; L171-V200 HydrophobicContact CG-CG2 3.88Å; F175-V200 HydrophobicContact CB-CG1 3.83Å; F175-V200 HydrophobicContact CB-CG2 4.5Å; F175-V200 HydrophobicContact CD1-CB 4.32Å; F175-V200 HydrophobicContact CD1-CG1 3.95Å; F175-V200 HydrophobicContact CD1-CG2 4.15Å; F175-V200 HydrophobicContact CD2-CG2 4.15Å; F175-V200 HydrophobicContact CE1-CG2 4.46Å; F175-V200 HydrophobicContact CE2-CG2 4.46Å; F175-V200 HydrophobicContact CG-CB 4.48Å; F175-V200 HydrophobicContact CG-CG1 3.97Å; F175-V200 HydrophobicContact CG-CG2 3.99Å; V181-V200 HydrophobicContact CG1-CG1 4.16Å; V181-V200 HydrophobicContact CG2-CG1 4.22Å; A184-V200 HydrophobicContact CB-CG2 4.22Å; V200-F202 HydrophobicContact CG1-CD2 4.03Å; V200-F202 HydrophobicContact CG1-CE2 3.64Å; V200-F202 HydrophobicContact CG1-CZ 4.09Å
201E95.8Very high95Very high13 Ų1356.3 Ų56.36%0.06128%0.283CS..EExtended strand (participates in β ladder)trans-110.3113.8-177.5-74.4158.1176.700108.3R80 A156 E182 R183 I199R80-E201 WeakPolarHBondContact CD-OE2 3.36Å; R80-E201 IonicContact NE-OE1 2.7Å; A156-E201 HydrophobicContact CB-CG 4.16Å; E182-E201 PolarHBondContact N-O 2.86Å; R183-E201 WeakPolarHBondContact CB-OE2 3.21Å; R183-E201 WeakPolarHBondContact CD-OE2 3.33Å; R183-E201 IonicContact CZ-OE1 3.03Å; R183-E201 IonicContact CZ-OE2 2.65Å; R183-E201 PolarHBondContact N-O 3.45Å; R183-E201 IonicContact NE-OE2 2.77Å; R183-E201 IonicContact NH1-OE1 2.59Å; R183-E201 PolarHBondContact NH1-OE1 3.08Å; R183-E201 IonicContact NH1-OE2 3.79Å; R183-E201 PolarHBondContact NH1-OE2 2.96Å; R183-E201 PolarHBondContact O-N 3.27Å; I199-E201 HydrophobicContact CG2-CG 4.15Å
202F96.4Very high95.1Very high0 Ų049.2 Ų49.20%026%0.259CS..EExtended strand (participates in β ladder)trans-95145.2178.6-77-85.3000112.2Q79 A155 L157 F175 F178 V181 V200 S204 A207 A208 A211Q79-F202 PolarHBondContact NE2-O 2.7Å; A155-F202 HydrophobicContact CB-CB 4.24Å; A155-F202 VanDerWaalsContact CB-O 3.23Å; A155-F202 WeakPolarHBondContact CB-O 3.33Å; A155-F202 PolarHBondContact O-N 2.82Å; L157-F202 HydrophobicContact CD1-CD2 4.22Å; L157-F202 HydrophobicContact CD1-CE2 3.83Å; F175-F202 HydrophobicContact CB-CZ 3.95Å; F175-F202 HydrophobicContact CD1-CE2 4.06Å; F175-F202 AromaticContact CD1-CZ 3.92Å; F175-F202 HydrophobicContact CD1-CZ 3.92Å; F175-F202 HydrophobicContact CG-CZ 4.45Å; F175-F202 WeakPolarHBondContact O-CE1 3.37Å; F178-F202 HydrophobicContact CB-CE1 4.11Å; F178-F202 HydrophobicContact CB-CZ 4.09Å; F178-F202 HydrophobicContact CD2-CZ 4.27Å; V181-F202 HydrophobicContact CG2-CD1 3.95Å; V181-F202 HydrophobicContact CG2-CE1 3.63Å; V181-F202 HydrophobicContact CG2-CZ 4.17Å; V200-F202 HydrophobicContact CG1-CD2 4.03Å; V200-F202 HydrophobicContact CG1-CE2 3.64Å; V200-F202 HydrophobicContact CG1-CZ 4.09Å; F202-S204 PolarHBondContact O-N 2.89Å; F202-A207 HydrophobicContact CB-CB 4.32Å; F202-A207 HydrophobicContact CD1-CB 3.56Å; F202-A207 HydrophobicContact CE1-CB 4.07Å; F202-A207 HydrophobicContact CG-CB 4.09Å; F202-A208 HydrophobicContact CB-CB 4.19Å; F202-A208 HydrophobicContact CD2-CB 3.86Å; F202-A208 HydrophobicContact CG-CB 4.28Å; F202-A211 HydrophobicContact CE2-CB 3.9Å; F202-A211 HydrophobicContact CZ-CB 3.86Å
203A93.1Very high95.2Very high46 Ų4651.8 Ų51.838%0.3826%0.257SS..SBendtrans-67.8-17173.900000113.4Q79 P180 E182Q79-A203 PolarHBondContact NE2-O 2.73Å; P180-A203 HydrophobicContact CB-CB 4.25Å; P180-A203 HydrophobicContact CG-CB 4.15Å; P180-A203 PolarHBondContact O-N 2.69Å; E182-A203 HydrophobicContact CG-CB 3.73Å; E182-A203 VanDerWaalsContact OE1-CA 3.31Å; E182-A203 WeakPolarHBondContact OE1-CA 3.49Å
204S92.6Very high95.3Very high47 Ų4752.2 Ų52.233%0.32926%0.258SS..  trans-134.9132.7179177.60000112.2F202 V206 A207 A208F202-S204 PolarHBondContact O-N 2.89Å; S204-V206 PolarHBondContact O-N 3.41Å; S204-V206 VanDerWaalsContact O-N 3.16Å; S204-V206 PolarHBondContact OG-N 2.91Å; S204-V206 VanDerWaalsContact OG-N 3.16Å; S204-A207 WeakPolarHBondContact O-CB 3.49Å; S204-A207 PolarHBondContact O-N 3.44Å; S204-A208 PolarHBondContact O-N 2.99Å; S204-A208 VanDerWaalsContact O-N 3.12Å
205K93.5Very high95.3Very high126 Ų12651 Ų5155%0.54825%0.25SC..Hα-helixtrans-59.7-21.7170.8-173.2168.6-174.7172.50113.1G154 A155 R209G154-K205 WeakPolarHBondContact O-CD 3.46Å; A155-K205 HydrophobicContact CB-CB 4.3Å; K205-R209 WeakPolarHBondContact O-CG 3.29Å; K205-R209 PolarHBondContact O-N 2.82Å; K205-R209 VanDerWaalsContact O-N 3.15Å; K205-R209 PolarHBondContact O-NE 3.05Å
206V95.9Very high95.2Very high90 Ų9054 Ų5455%0.54526%0.264SS..Hα-helixtrans-71.3-44173.4-175.50000110.6S204 R209 K210S204-V206 PolarHBondContact O-N 3.41Å; S204-V206 VanDerWaalsContact O-N 3.16Å; S204-V206 PolarHBondContact OG-N 2.91Å; S204-V206 VanDerWaalsContact OG-N 3.16Å; V206-R209 PolarHBondContact O-N 2.88Å; V206-K210 WeakPolarHBondContact O-CB 3.47Å; V206-K210 PolarHBondContact O-N 2.62Å
207A96.4Very high95.2Very high7 Ų761.1 Ų61.16%0.05829%0.293CS..Hα-helixtrans-64.3-43.6176.600000111.6F202 S204 R209 K210 A211F202-A207 HydrophobicContact CB-CB 4.32Å; F202-A207 HydrophobicContact CD1-CB 3.56Å; F202-A207 HydrophobicContact CE1-CB 4.07Å; F202-A207 HydrophobicContact CG-CB 4.09Å; S204-A207 WeakPolarHBondContact O-CB 3.49Å; S204-A207 PolarHBondContact O-N 3.44Å; A207-R209 PolarHBondContact O-N 3.18Å; A207-K210 PolarHBondContact O-N 3.35Å; A207-A211 WeakPolarHBondContact O-CB 3.41Å; A207-A211 PolarHBondContact O-N 2.96Å
208A96.1Very high95Very high5 Ų557.2 Ų57.24%0.04129%0.291CS..Hα-helixtrans-60.4-43.6176.200000113A155 L157 F202 S204 A211 L212A155-A208 HydrophobicContact CB-CB 4.03Å; L157-A208 HydrophobicContact CD1-CB 4.33Å; L157-A208 WeakPolarHBondContact CD1-O 3.46Å; L157-A208 HydrophobicContact CD2-CB 4.39Å; L157-A208 HydrophobicContact CG-CB 4.29Å; F202-A208 HydrophobicContact CB-CB 4.19Å; F202-A208 HydrophobicContact CD2-CB 3.86Å; F202-A208 HydrophobicContact CG-CB 4.28Å; S204-A208 PolarHBondContact O-N 2.99Å; S204-A208 VanDerWaalsContact O-N 3.12Å; A208-A211 PolarHBondContact O-N 2.78Å; A208-L212 WeakPolarHBondContact O-CB 3.36Å; A208-L212 PolarHBondContact O-N 3.09Å
209R95.9Very high94.8Very high127 Ų12760.9 Ų60.948%0.47932%0.32SS..Hα-helixtrans-64.2-46.3175.3-76.8-175.5-64.8-173.36.1112.3K205 V206 A207 A211 L212 E213K205-R209 WeakPolarHBondContact O-CG 3.29Å; K205-R209 PolarHBondContact O-N 2.82Å; K205-R209 VanDerWaalsContact O-N 3.15Å; K205-R209 PolarHBondContact O-NE 3.05Å; V206-R209 PolarHBondContact O-N 2.88Å; A207-R209 PolarHBondContact O-N 3.18Å; R209-A211 VanDerWaalsContact C-N 3.28Å; R209-A211 PolarHBondContact O-N 3.47Å; R209-L212 WeakPolarHBondContact O-CB 3.49Å; R209-L212 PolarHBondContact O-N 3.03Å; R209-L212 VanDerWaalsContact O-N 3.13Å; R209-E213 WeakPolarHBondContact O-CB 3.2Å; R209-E213 WeakPolarHBondContact O-CG 3.35Å; R209-E213 PolarHBondContact O-N 3.47Å
210K95.9Very high94.6Very high79 Ų7960.2 Ų60.234%0.34332%0.317SS..Hα-helixtrans-58-39.3176.1178.1-175164.2-157.40112.1F178 V206 A207 R214F178-K210 HydrophobicContact CD1-CG 4.43Å; F178-K210 PolarHBondContact O-NZ 2.89Å; V206-K210 WeakPolarHBondContact O-CB 3.47Å; V206-K210 PolarHBondContact O-N 2.62Å; A207-K210 PolarHBondContact O-N 3.35Å; K210-R214 HydrophobicContact CG-CG 4.48Å; K210-R214 VanDerWaalsContact O-CB 3.23Å; K210-R214 WeakPolarHBondContact O-CB 3.16Å; K210-R214 WeakPolarHBondContact O-CG 3.34Å; K210-R214 PolarHBondContact O-N 3.11Å
211A96.3Very high94.5Very high0 Ų064.4 Ų64.40%034%0.339CS..Hα-helixtrans-65.1-47.6174.600000111.6L157 F175 F178 F202 A207 A208 R209 R214 C215L157-A211 HydrophobicContact CD1-CB 3.92Å; F175-A211 HydrophobicContact CD1-CB 4.46Å; F178-A211 HydrophobicContact CB-CB 3.87Å; F178-A211 HydrophobicContact CD1-CB 4.25Å; F178-A211 HydrophobicContact CD2-CB 3.41Å; F178-A211 VanDerWaalsContact CD2-CB 3.41Å; F178-A211 HydrophobicContact CE2-CB 3.91Å; F178-A211 HydrophobicContact CG-CB 3.58Å; F202-A211 HydrophobicContact CE2-CB 3.9Å; F202-A211 HydrophobicContact CZ-CB 3.86Å; A207-A211 WeakPolarHBondContact O-CB 3.41Å; A207-A211 PolarHBondContact O-N 2.96Å; A208-A211 PolarHBondContact O-N 2.78Å; R209-A211 VanDerWaalsContact C-N 3.28Å; R209-A211 PolarHBondContact O-N 3.47Å; A211-R214 PolarHBondContact O-N 3.33Å; A211-C215 WeakPolarHBondContact O-CB 3.2Å; A211-C215 PolarHBondContact O-N 2.79Å; A211-C215 PolarHBondContact O-SG 3.44Å
212L95.4Very high94.4Very high37 Ų3765 Ų6519%0.19434%0.342CS..Hα-helixtrans-61-46.2178.4-175.769000112.4A208 R209 N216 V231 P233A208-L212 WeakPolarHBondContact O-CB 3.36Å; A208-L212 PolarHBondContact O-N 3.09Å; R209-L212 WeakPolarHBondContact O-CB 3.49Å; R209-L212 PolarHBondContact O-N 3.03Å; R209-L212 VanDerWaalsContact O-N 3.13Å; L212-N216 WeakPolarHBondContact O-CB 3.49Å; L212-N216 VanDerWaalsContact O-CG 3.22Å; L212-N216 PolarHBondContact O-N 3.19Å; L212-N216 VanDerWaalsContact O-N 3.15Å; L212-N216 PolarHBondContact O-ND2 2.9Å; L212-N216 VanDerWaalsContact O-ND2 3.13Å; L212-V231 HydrophobicContact CD1-CB 4.46Å; L212-V231 HydrophobicContact CD1-CG1 4.1Å; L212-V231 VanDerWaalsContact CD1-O 3.23Å; L212-V231 WeakPolarHBondContact CD1-O 3.49Å; L212-P233 HydrophobicContact CD1-CG 4.48Å; L212-P233 HydrophobicContact CD2-CG 3.93Å
213E95.1Very high94.2Very high108 Ų10866.7 Ų66.751%0.50535%0.353SS..Hα-helixtrans-60.4-54.4176.6-71.5157.5-166.400110.5R209 C215 N216 E217R209-E213 WeakPolarHBondContact O-CB 3.2Å; R209-E213 WeakPolarHBondContact O-CG 3.35Å; R209-E213 PolarHBondContact O-N 3.47Å; E213-C215 VanDerWaalsContact C-N 3.33Å; E213-C215 PolarHBondContact O-N 3.05Å; E213-N216 PolarHBondContact O-N 3.32Å; E213-N216 VanDerWaalsContact O-N 3.15Å; E213-E217 WeakPolarHBondContact O-CG 3.3Å; E213-E217 PolarHBondContact O-N 3.33Å
214R94.9Very high94.1Very high156 Ų15671.6 Ų71.659%0.58938%0.378SS*.Hα-helixtrans-59.3-37.6-179.5-74.8-89.3-177.2131.7-4.4114F178 K210 A211 G218F178-R214 HydrophobicContact CD1-CB 4.36Å; F178-R214 HydrophobicContact CD1-CG 4.31Å; F178-R214 HydrophobicContact CE1-CB 3.55Å; F178-R214 HydrophobicContact CE1-CG 3.84Å; F178-R214 HydrophobicContact CZ-CB 4.15Å; K210-R214 HydrophobicContact CG-CG 4.48Å; K210-R214 VanDerWaalsContact O-CB 3.23Å; K210-R214 WeakPolarHBondContact O-CB 3.16Å; K210-R214 WeakPolarHBondContact O-CG 3.34Å; K210-R214 PolarHBondContact O-N 3.11Å; A211-R214 PolarHBondContact O-N 3.33Å; R214-G218 PolarHBondContact O-N 3.45Å; R214-G218 VanDerWaalsContact O-N 3.09Å
215C94.2Very high93.8Very high11 Ų1172.2 Ų72.27%0.07438%0.38CS..Hα-helixtrans-84.6-11-178.7-59.20000113.7A211 E213 G218 V231A211-C215 WeakPolarHBondContact O-CB 3.2Å; A211-C215 PolarHBondContact O-N 2.79Å; A211-C215 PolarHBondContact O-SG 3.44Å; E213-C215 VanDerWaalsContact C-N 3.33Å; E213-C215 PolarHBondContact O-N 3.05Å; C215-G218 CarbonylContact C-O 3.56Å; C215-G218 VanDerWaalsContact O-O 3.13Å; C215-V231 HydrophobicContact CB-CB 3.95Å; C215-V231 HydrophobicContact CB-CG2 3.57Å
216N91.8Very high93.5Very high108 Ų10869.1 Ų69.158%0.57837%0.373SS*.Hα-helixtrans-95.4-33.4171.8-73.1-23.9000111.8L212 E213L212-N216 WeakPolarHBondContact O-CB 3.49Å; L212-N216 VanDerWaalsContact O-CG 3.22Å; L212-N216 PolarHBondContact O-N 3.19Å; L212-N216 VanDerWaalsContact O-N 3.15Å; L212-N216 PolarHBondContact O-ND2 2.9Å; L212-N216 VanDerWaalsContact O-ND2 3.13Å; E213-N216 PolarHBondContact O-N 3.32Å; E213-N216 VanDerWaalsContact O-N 3.15Å
217E93.1Very high93.1Very high167 Ų16765.8 Ų65.878%0.7835%0.353SS*.Hα-helixtrans-78.3-28.6174.9-69.4177.9172.400113.1E213E213-E217 WeakPolarHBondContact O-CG 3.3Å; E213-E217 PolarHBondContact O-N 3.33Å
218G92.6Very high93Very high40 Ų4068.2 Ų68.241%0.41237%0.369SS..SBendtrans-135.1166.4-17700000113.7R214 C215 M220R214-G218 PolarHBondContact O-N 3.45Å; R214-G218 VanDerWaalsContact O-N 3.09Å; C215-G218 CarbonylContact C-O 3.56Å; C215-G218 VanDerWaalsContact O-O 3.13Å; G218-M220 PolarHBondContact O-N 3.26Å
219A92.2Very high92.9Very high77 Ų7768.3 Ų68.364%0.63637%0.368SS*.  trans-88.299.9177.400000111.1L221 P228A219-L221 PolarHBondContact O-N 3.32Å; A219-P228 HydrophobicContact CB-CB 4.14Å
220M92.6Very high92.8Very high20 Ų2065.3 Ų65.310%0.09936%0.361CS..  trans-75.2119.6169.7177.7166.2-13700110.4A174 F175 Q177 F178 G218 L222 P228 T229A174-M220 HydrophobicContact CB-CE 4.25Å; A174-M220 WeakPolarHBondContact O-CE 3.4Å; F175-M220 HydrophobicContact CE2-SD 4.05Å; F175-M220 HydrophobicContact CZ-SD 4.02Å; Q177-M220 VanDerWaalsContact NE2-CE 3.29Å; F178-M220 HydrophobicContact CE2-CE 3.62Å; F178-M220 HydrophobicContact CE2-SD 3.75Å; F178-M220 HydrophobicContact CZ-CE 3.81Å; F178-M220 HydrophobicContact CZ-SD 3.9Å; G218-M220 PolarHBondContact O-N 3.26Å; M220-L222 HydrophobicContact CE-CD2 4.33Å; M220-L222 HydrophobicContact CG-CD2 4.29Å; M220-L222 HydrophobicContact SD-CD2 4.47Å; M220-P228 WeakPolarHBondContact O-CA 3.44Å; M220-T229 PolarHBondContact O-N 2.95Å; M220-T229 PolarHBondContact O-OG1 3.25Å
221L94.4Very high92.9Very high88 Ų8861.7 Ų61.746%0.46135%0.346SS..BIsolated β-bridgetrans-109.2132.2176.5-55.1-177.9000109.6A219 P226 P228A219-L221 PolarHBondContact O-N 3.32Å; L221-P226 HydrophobicContact CD1-CB 4.21Å; L221-P226 HydrophobicContact CD2-CB 4.48Å; L221-P228 HydrophobicContact CD2-CB 4.47Å
222L93.7Very high92.8Very high25 Ų2564.3 Ų64.313%0.13136%0.358CS..  trans-100.6-9.5176.5-58.5-173.1000113.6L162 V166 L171 A174 M220 T229L162-L222 HydrophobicContact CD2-CD1 3.77Å; V166-L222 HydrophobicContact CG1-CD1 3.86Å; V166-L222 HydrophobicContact CG2-CB 4.36Å; V166-L222 HydrophobicContact CG2-CD1 4.18Å; L171-L222 HydrophobicContact CD1-CD1 3.92Å; A174-L222 HydrophobicContact CB-CD2 3.33Å; M220-L222 HydrophobicContact CE-CD2 4.33Å; M220-L222 HydrophobicContact CG-CD2 4.29Å; M220-L222 HydrophobicContact SD-CD2 4.47Å; L222-T229 HydrophobicContact CD1-CG2 3.62Å; L222-T229 HydrophobicContact CG-CG2 3.6Å
223T93Very high92.8Very high36 Ų3666.5 Ų66.522%0.22138%0.375CS..SBendtrans-148166-165.9530000110.8L163 V165 V166 T225L163-T223 HydrophobicContact CD1-CG2 4.31Å; L163-T223 VanDerWaalsContact CD1-OG1 3.31Å; L163-T223 WeakPolarHBondContact CD1-OG1 3.28Å; V165-T223 HydrophobicContact CG2-CG2 3.94Å; V166-T223 HydrophobicContact CG2-CG2 4.15Å; T223-T225 VanDerWaalsContact C-N 3.28Å; T223-T225 PolarHBondContact O-N 2.96Å; T223-T225 PolarHBondContact OG1-O 2.84Å; T223-T225 VanDerWaalsContact OG1-O 3.12Å
224T89.7Confident92.6Very high149 Ų14965.2 Ų65.291%0.91437%0.369SS*.SBendtrans-58.3-36.6174.6-44.80000113.3
225T87.3Confident92.3Very high60 Ų6065.5 Ų65.537%0.36838%0.377SS..SBendtrans-68.4126.7171.8-55.60000108.9L163 T223 C227L163-T225 HydrophobicContact CD1-CG2 4.21Å; T223-T225 VanDerWaalsContact C-N 3.28Å; T223-T225 PolarHBondContact O-N 2.96Å; T223-T225 PolarHBondContact OG1-O 2.84Å; T223-T225 VanDerWaalsContact OG1-O 3.12Å; T225-C227 PolarHBondContact O-N 2.77Å
226P87.9Confident91.8Very high61 Ų6170.8 Ų70.840%0.39640%0.401SS..  trans-78.257.3-173.334.1-38.6000112.2L221 P228 L307L221-P226 HydrophobicContact CD1-CB 4.21Å; L221-P226 HydrophobicContact CD2-CB 4.48Å; P226-P228 WeakPolarHBondContact O-CD 3.14Å; P226-L307 HydrophobicContact CG-CD1 3.74Å; P226-L307 HydrophobicContact CG-CD2 3.87Å; P226-L307 HydrophobicContact CG-CG 4.43Å
227C87.3Confident91.6Very high20 Ų2071.8 Ų71.814%0.13541%0.405CS..  trans-94.5108.4176.7-153.50000109.2N161 L163 T225N161-C227 PolarHBondContact ND2-SG 3.32Å; L163-C227 HydrophobicContact CD1-CB 4.25Å; L163-C227 HydrophobicContact CD2-CB 4.08Å; L163-C227 HydrophobicContact CG-CB 4.17Å; T225-C227 PolarHBondContact O-N 2.77Å
228P93.2Very high91.1Very high59 Ų5967.2 Ų67.238%0.38339%0.386SS..BIsolated β-bridgetrans-71.6132-178.828.3-34.1000111.2N161 A219 M220 L221 P226N161-P228 PolarHBondContact ND2-O 3.11Å; A219-P228 HydrophobicContact CB-CB 4.14Å; M220-P228 WeakPolarHBondContact O-CA 3.44Å; L221-P228 HydrophobicContact CD2-CB 4.47Å; P226-P228 WeakPolarHBondContact O-CD 3.14Å
229T94.2Very high90.7Very high6 Ų672.4 Ų72.44%0.03741%0.405CS..PPolyproline II helixtrans-77.5127.4174.456.30000110.9V159 L162 M220 L222V159-T229 HydrophobicContact CG1-CG2 4.49Å; L162-T229 HydrophobicContact CD2-CG2 3.75Å; M220-T229 PolarHBondContact O-N 2.95Å; M220-T229 PolarHBondContact O-OG1 3.25Å; L222-T229 HydrophobicContact CD1-CG2 3.62Å; L222-T229 HydrophobicContact CG-CG2 3.6Å
230I95.3Very high90.3Very high65 Ų6575 Ų7533%0.33340%0.404SS..EExtended strand (participates in β ladder)trans-90.9126.4179.6-56.7172.5000107.9V159 R160 N161 E232V159-I230 CarbonylContact C-O 3.57Å; V159-I230 WeakPolarHBondContact CA-O 3.15Å; R160-I230 HydrophobicContact CB-CB 4.26Å; R160-I230 PolarHBondContact N-O 2.91Å; R160-I230 PolarHBondContact O-N 3.09Å; N161-I230 HydrophobicContact CB-CD1 4.09Å; N161-I230 HydrophobicContact CB-CG1 4.12Å; I230-E232 HydrophobicContact CG2-CG 4.5Å
231V96.2Very high89.8Confident2 Ų276.4 Ų76.41%0.01241%0.411CS..EExtended strand (participates in β ladder)trans-114.8126.8-177.2-1760000109.8L157 F175 L212 C215L157-V231 HydrophobicContact CB-CG1 4.03Å; L157-V231 HydrophobicContact CD1-CG1 3.66Å; L157-V231 HydrophobicContact CG-CG1 4.3Å; F175-V231 HydrophobicContact CE1-CG1 4.45Å; F175-V231 HydrophobicContact CE1-CG2 3.93Å; F175-V231 HydrophobicContact CZ-CG2 3.77Å; L212-V231 HydrophobicContact CD1-CB 4.46Å; L212-V231 HydrophobicContact CD1-CG1 4.1Å; L212-V231 VanDerWaalsContact CD1-O 3.23Å; L212-V231 WeakPolarHBondContact CD1-O 3.49Å; C215-V231 HydrophobicContact CB-CB 3.95Å; C215-V231 HydrophobicContact CB-CG2 3.57Å
232E95.1Very high89.5Confident56 Ų5674.2 Ų74.226%0.26241%0.411SS..EExtended strand (participates in β ladder)trans-124.8150.5-180-66.3173.8155.400109.7L157 K158 R160 I230 M234L157-E232 CarbonylContact C-O 3.58Å; L157-E232 WeakPolarHBondContact CA-O 3.4Å; K158-E232 HydrophobicContact CB-CB 4.43Å; K158-E232 PolarHBondContact N-O 3.44Å; K158-E232 IonicContact NZ-OE2 3.85Å; K158-E232 PolarHBondContact O-N 3.35Å; R160-E232 WeakPolarHBondContact CD-OE2 3.38Å; R160-E232 IonicContact CZ-OE1 2.69Å; R160-E232 VanDerWaalsContact CZ-OE1 3.25Å; R160-E232 IonicContact CZ-OE2 2.78Å; R160-E232 IonicContact NE-OE1 2.69Å; R160-E232 PolarHBondContact NE-OE1 2.69Å; R160-E232 IonicContact NE-OE2 3.33Å; R160-E232 PolarHBondContact NE-OE2 2.78Å; R160-E232 IonicContact NH2-OE1 3.81Å; R160-E232 PolarHBondContact NH2-OE1 2.93Å; R160-E232 IonicContact NH2-OE2 3.04Å; I230-E232 HydrophobicContact CG2-CG 4.5Å; E232-M234 PolarHBondContact O-N 2.91Å
233P94.5Very high89.3Confident83 Ų8379.2 Ų79.254%0.53944%0.437SS..EExtended strand (participates in β ladder)trans-56138.2164.4-2032.6000110.1L212 E235L212-P233 HydrophobicContact CD1-CG 4.48Å; L212-P233 HydrophobicContact CD2-CG 3.93Å; P233-E235 PolarHBondContact O-N 3.3Å
234M91.8Very high89.1Confident81 Ų8179.6 Ų79.640%0.39944%0.44SS..PPolyproline II helixtrans-75.8117.4172.5-170.8170-175.700109.7A156 I199 E232 H236A156-M234 HydrophobicContact CB-CB 3.78Å; A156-M234 HydrophobicContact CB-CG 4.38Å; A156-M234 HydrophobicContact CB-SD 3.9Å; A156-M234 WeakPolarHBondContact O-CB 3.35Å; A156-M234 PolarHBondContact O-N 2.83Å; I199-M234 HydrophobicContact CD1-CE 4.04Å; I199-M234 HydrophobicContact CG2-CE 4.5Å; I199-M234 HydrophobicContact CG2-SD 3.83Å; E232-M234 PolarHBondContact O-N 2.91Å; M234-H236 PolarHBondContact O-N 3.05Å
235E88.2Confident89.2Confident161 Ų16176.2 Ų76.275%0.75241%0.414SS*.PPolyproline II helixtrans-65.9128.3167.4-68.4179.7170.200109.3P233P233-E235 PolarHBondContact O-N 3.3Å
236H84.3Confident89.3Confident122 Ų12282.4 Ų82.457%0.56544%0.435SS*.  trans-102.7113175.6-177.764.6000109.1T152 M234T152-H236 VanDerWaalsContact CG2-CD2 3.47Å; T152-H236 WeakPolarHBondContact CG2-CD2 3.24Å; M234-H236 PolarHBondContact O-N 3.05Å
237L86.4Confident89.3Confident129 Ų12984.2 Ų84.268%0.67544%0.441SS*.  trans-108.2138.1175.6-56.8176.6000108.1D239L237-D239 PolarHBondContact O-N 3.33Å
238D83.3Confident89.5Confident72 Ų7285.6 Ų85.639%0.38545%0.446SS..  trans-89.592.7177.3-175-5.8000108.6R149 E240 D241R149-D238 IonicContact CZ-OD2 3.81Å; R149-D238 IonicContact NH1-OD2 2.74Å; R149-D238 PolarHBondContact NH1-OD2 2.65Å; R149-D238 IonicContact NH2-OD2 3.26Å; D238-E240 PolarHBondContact OD1-N 3.47Å; D238-D241 PolarHBondContact OD1-N 3.26Å
239D84.6Confident89.5Confident148 Ų14887.2 Ų87.279%0.79146%0.457SS*.  trans-91.2-4.3176.858.6-21.1000113.5L237L237-D239 PolarHBondContact O-N 3.33Å
240E82.9Confident89.6Confident132 Ų13293.5 Ų93.562%0.61748%0.484SS*.SBendtrans-91.5-55.8-177.7-71.4-95118.400112.3K133 D238K133-E240 IonicContact NZ-OE2 2.65Å; K133-E240 PolarHBondContact NZ-OE2 3.03Å; D238-E240 PolarHBondContact OD1-N 3.47Å
241D83.1Confident89.6Confident49 Ų4993.5 Ų93.526%0.26249%0.487SS..SBendtrans-92-24.1-173.8-77.532.2000112.3K133 R149 D238 P244K133-D241 IonicContact NZ-OD1 2.98Å; R149-D241 IonicContact CZ-OD2 3.97Å; R149-D241 IonicContact NE-OD2 2.66Å; R149-D241 PolarHBondContact NE-OD2 2.8Å; R149-D241 VanDerWaalsContact NH2-CG 3.34Å; R149-D241 IonicContact NH2-OD2 3.03Å; R149-D241 PolarHBondContact NH2-OD2 2.81Å; D238-D241 PolarHBondContact OD1-N 3.26Å; D241-P244 WeakPolarHBondContact O-CD 3.41Å; D241-P244 WeakPolarHBondContact O-CG 3.28Å
242G87.8Confident89.7Confident43 Ų4398.9 Ų98.944%0.44352%0.522SS..  trans56.6-141.8178.300000114.3P244G242-P244 WeakPolarHBondContact O-CD 3.37Å
243L88.4Confident89.7Confident130 Ų130103 Ų10368%0.68154%0.539SS*.  trans-122.182.1179.1-170.468000111.7I247 L248L243-I247 HydrophobicContact CD1-CD1 4.03Å; L243-I247 HydrophobicContact CD1-CG1 4.49Å; L243-L248 HydrophobicContact CD2-CD2 3.95Å; L243-L248 HydrophobicContact CG-CD2 4.17Å
244P90.1Very high89.7Confident43 Ų43101.2 Ų101.228%0.27952%0.522SS..  trans-65.2143.7-177.3-2636.6000114.3D241 G242 K246 I247D241-P244 WeakPolarHBondContact O-CD 3.41Å; D241-P244 WeakPolarHBondContact O-CG 3.28Å; G242-P244 WeakPolarHBondContact O-CD 3.37Å; P244-K246 HydrophobicContact CB-CG 4.01Å; P244-K246 PolarHBondContact O-N 3.25Å; P244-K246 VanDerWaalsContact O-N 3.1Å; P244-I247 HydrophobicContact CB-CG1 4.49Å; P244-I247 WeakPolarHBondContact O-CG1 3.45Å; P244-I247 PolarHBondContact O-N 3.22Å
245E90.8Very high89.9Confident79 Ų79103.5 Ų103.537%0.36953%0.527SS..G310 helixtrans-50.8-40.3178.3-171.558-138.400113.7I247 L248 Y254 R258E245-I247 PolarHBondContact O-N 2.9Å; E245-I247 VanDerWaalsContact O-N 3.11Å; E245-L248 PolarHBondContact O-N 2.81Å; E245-L248 VanDerWaalsContact O-N 3.1Å; E245-Y254 VanDerWaalsContact OE1-CE2 3.24Å; E245-Y254 WeakPolarHBondContact OE1-CE2 3.39Å; E245-Y254 PolarHBondContact OE1-OH 3Å; E245-R258 IonicContact OE1-CZ 3.92Å; E245-R258 IonicContact OE1-NH1 2.73Å; E245-R258 PolarHBondContact OE1-NH1 2.91Å; E245-R258 IonicContact OE1-NH2 3.17Å; E245-R258 IonicContact OE2-CZ 2.82Å; E245-R258 IonicContact OE2-NH1 3.64Å; E245-R258 PolarHBondContact OE2-NH1 2.97Å; E245-R258 IonicContact OE2-NH2 2.75Å; E245-R258 PolarHBondContact OE2-NH2 2.91Å
246K90.3Very high90.3Very high190 Ų190102.5 Ų102.583%0.82652%0.52SS*.G310 helixtrans-61.3-18.4-177.765.5-172.9177.6-173.80114.7P244P244-K246 HydrophobicContact CB-CG 4.01Å; P244-K246 PolarHBondContact O-N 3.25Å; P244-K246 VanDerWaalsContact O-N 3.1Å
247I88.8Confident90.8Very high99 Ų99102.8 Ų102.851%0.50852%0.522SS..G310 helixtrans-103.8-3.5177.961.6163000113.7L243 P244 E245L243-I247 HydrophobicContact CD1-CD1 4.03Å; L243-I247 HydrophobicContact CD1-CG1 4.49Å; P244-I247 HydrophobicContact CB-CG1 4.49Å; P244-I247 WeakPolarHBondContact O-CG1 3.45Å; P244-I247 PolarHBondContact O-N 3.22Å; E245-I247 PolarHBondContact O-N 2.9Å; E245-I247 VanDerWaalsContact O-N 3.11Å
248L91.3Very high91.3Very high48 Ų48102.7 Ų102.725%0.25151%0.512SS..SBendtrans-72.8131179-76.7174.4000111.7L243 E245 K250 Y254L243-L248 HydrophobicContact CD2-CD2 3.95Å; L243-L248 HydrophobicContact CG-CD2 4.17Å; E245-L248 PolarHBondContact O-N 2.81Å; E245-L248 VanDerWaalsContact O-N 3.1Å; L248-K250 PolarHBondContact O-N 2.74Å; L248-Y254 HydrophobicContact CD1-CE2 4.28Å
249P93.1Very high91.8Very high93 Ų93105.8 Ų105.860%0.60452%0.524SS*.  trans-71.9115.9174.429.3-33.2000110T251P249-T251 HydrophobicContact CB-CG2 4.32Å; P249-T251 PolarHBondContact O-N 2.62Å
250K95.2Very high92.3Very high139 Ų139103.8 Ų103.860%0.60451%0.51SS*.  trans-7461.5-178.2-61.4-174.8-179.6-177.20112.8L248 Y254 Y255L248-K250 PolarHBondContact O-N 2.74Å; K250-Y254 HydrophobicContact CB-CD1 4.21Å; K250-Y254 HydrophobicContact CG-CD1 4.31Å; K250-Y254 HydrophobicContact CG-CE1 4.2Å; K250-Y255 HydrophobicContact CB-CE2 3.97Å; K250-Y255 WeakPolarHBondContact O-CE2 3.37Å
251T96.4Very high92.9Very high64 Ų64101.5 Ų101.539%0.39351%0.507SS..  trans-71.2163.417660.50000111.7P249 K253 Y254 Y255P249-T251 HydrophobicContact CB-CG2 4.32Å; P249-T251 PolarHBondContact O-N 2.62Å; T251-K253 PolarHBondContact O-N 3.01Å; T251-Y254 WeakPolarHBondContact O-CB 3.37Å; T251-Y254 PolarHBondContact O-N 2.84Å; T251-Y254 PolarHBondContact OG1-N 2.79Å; T251-Y255 VanDerWaalsContact O-CD2 3.31Å; T251-Y255 WeakPolarHBondContact O-CD2 3.48Å; T251-Y255 PolarHBondContact O-N 2.81Å
252P96.8Very high93.6Very high116 Ų116105.9 Ų105.975%0.75354%0.538SS*.Hα-helixtrans-55.8-34.7172-2736000113.2Y255 K256P252-Y255 PolarHBondContact O-N 2.82Å; P252-K256 PolarHBondContact O-N 3.05Å
253K95.7Very high93.9Very high142 Ų142109.4 Ų109.462%0.61754%0.538SS*.Hα-helixtrans-62.4-46.3173.4-174177.5-180-1780111.5T251 Y255 K256 E257T251-K253 PolarHBondContact O-N 3.01Å; K253-Y255 VanDerWaalsContact C-N 3.26Å; K253-Y255 PolarHBondContact O-N 3Å; K253-K256 PolarHBondContact O-N 3.22Å; K253-K256 VanDerWaalsContact O-N 3.16Å; K253-E257 WeakPolarHBondContact CE-OE1 3.37Å; K253-E257 HydrophobicContact CG-CG 3.94Å; K253-E257 VanDerWaalsContact O-CG 3.28Å; K253-E257 WeakPolarHBondContact O-CG 3.4Å; K253-E257 PolarHBondContact O-N 3.45Å
254Y95.1Very high94.3Very high45 Ų45112.7 Ų112.718%0.17655%0.547CS..Hα-helixtrans-53.7-42.9177.7159.2-82.5000112.2E245 L248 K250 T251 R258E245-Y254 VanDerWaalsContact OE1-CE2 3.24Å; E245-Y254 WeakPolarHBondContact OE1-CE2 3.39Å; E245-Y254 PolarHBondContact OE1-OH 3Å; L248-Y254 HydrophobicContact CD1-CE2 4.28Å; K250-Y254 HydrophobicContact CB-CD1 4.21Å; K250-Y254 HydrophobicContact CG-CD1 4.31Å; K250-Y254 HydrophobicContact CG-CE1 4.2Å; T251-Y254 WeakPolarHBondContact O-CB 3.37Å; T251-Y254 PolarHBondContact O-N 2.84Å; T251-Y254 PolarHBondContact OG1-N 2.79Å; Y254-R258 WeakPolarHBondContact O-CG 3.33Å; Y254-R258 PolarHBondContact OH-NH1 3.45Å
255Y95.9Very high94.6Very high130 Ų130112 Ų11251%0.5155%0.545SS..Hα-helixtrans-69.8-45.3177.7-68.4-71.5000111.8K250 T251 P252 K253 E257 R258 E259K250-Y255 HydrophobicContact CB-CE2 3.97Å; K250-Y255 WeakPolarHBondContact O-CE2 3.37Å; T251-Y255 VanDerWaalsContact O-CD2 3.31Å; T251-Y255 WeakPolarHBondContact O-CD2 3.48Å; T251-Y255 PolarHBondContact O-N 2.81Å; P252-Y255 PolarHBondContact O-N 2.82Å; K253-Y255 VanDerWaalsContact C-N 3.26Å; K253-Y255 PolarHBondContact O-N 3Å; Y255-E257 PolarHBondContact O-N 2.91Å; Y255-R258 CarbonylContact O-C 3.58Å; Y255-R258 WeakPolarHBondContact O-CA 3.5Å; Y255-R258 PolarHBondContact O-N 2.7Å; Y255-E259 PolarHBondContact O-N 3.49Å
256K96.8Very high94.8Very high140 Ų140115 Ų11561%0.60956%0.559SS**Hα-helixtrans-57.3-46.9179.3-172.6-177178.6-175.40112.9P252 K253 R258 E259P252-K256 PolarHBondContact O-N 3.05Å; K253-K256 PolarHBondContact O-N 3.22Å; K253-K256 VanDerWaalsContact O-N 3.16Å; K256-R258 PolarHBondContact O-N 3.41Å; K256-R258 VanDerWaalsContact O-N 3.16Å; K256-E259 PolarHBondContact O-N 3.22Å
257E95.1Very high95.1Very high128 Ų128111 Ų11160%0.59855%0.552SS**THydrogen-bonded Turntrans-66.4-13.6177.9-57.2-69.3172.100112.6K253 Y255K253-E257 WeakPolarHBondContact CE-OE1 3.37Å; K253-E257 HydrophobicContact CG-CG 3.94Å; K253-E257 VanDerWaalsContact O-CG 3.28Å; K253-E257 WeakPolarHBondContact O-CG 3.4Å; K253-E257 PolarHBondContact O-N 3.45Å; Y255-E257 PolarHBondContact O-N 2.91Å
258R95.3Very high95.4Very high127 Ų127109.8 Ų109.848%0.47956%0.564SS.*THydrogen-bonded Turntrans-112.16.1179.7-69.2-170.4173.4-158.6-0.8114.6E245 Y254 Y255 K256 Q260E245-R258 IonicContact OE1-CZ 3.92Å; E245-R258 IonicContact OE1-NH1 2.73Å; E245-R258 PolarHBondContact OE1-NH1 2.91Å; E245-R258 IonicContact OE1-NH2 3.17Å; E245-R258 IonicContact OE2-CZ 2.82Å; E245-R258 IonicContact OE2-NH1 3.64Å; E245-R258 PolarHBondContact OE2-NH1 2.97Å; E245-R258 IonicContact OE2-NH2 2.75Å; E245-R258 PolarHBondContact OE2-NH2 2.91Å; Y254-R258 WeakPolarHBondContact O-CG 3.33Å; Y254-R258 PolarHBondContact OH-NH1 3.45Å; Y255-R258 CarbonylContact O-C 3.58Å; Y255-R258 WeakPolarHBondContact O-CA 3.5Å; Y255-R258 PolarHBondContact O-N 2.7Å; K256-R258 PolarHBondContact O-N 3.41Å; K256-R258 VanDerWaalsContact O-N 3.16Å; R258-Q260 PolarHBondContact O-N 2.99Å
259E95.6Very high95.7Very high137 Ų137109.6 Ų109.664%0.6457%0.565SS**SBendtrans-58.2-30.3170.3-74.6171.8-163.700111.6Y255 K256Y255-E259 PolarHBondContact O-N 3.49Å; K256-E259 PolarHBondContact O-N 3.22Å
260Q93.5Very high95.8Very high106 Ų106112.8 Ų112.850%0.49557%0.57SS.*SBendtrans-110.5130.1179.7-61.3-67.9-27.600111.2R258R258-Q260 PolarHBondContact O-N 2.99Å
261P95.5Very high95.9Very high84 Ų84110.1 Ų110.155%0.54556%0.56SS.*  trans-72.1165.5176.431.1-35.5000112.1R263P261-R263 PolarHBondContact O-N 3.03Å; P261-R263 PolarHBondContact O-NH1 2.66Å; P261-R263 VanDerWaalsContact O-NH1 3.15Å
262P97.6Very high95.9Very high141 Ų141110.8 Ų110.892%0.91656%0.557SS**SBendtrans-54.6120.7169.9-24.134.5000110.9
263R95.3Very high96Very high117 Ų117110.3 Ų110.344%0.44255%0.545SS..  trans-151.1161.3-176.973.3-164.9173.2-69.35.2110.3P261 E271P261-R263 PolarHBondContact O-N 3.03Å; P261-R263 PolarHBondContact O-NH1 2.66Å; P261-R263 VanDerWaalsContact O-NH1 3.15Å; R263-E271 IonicContact CZ-OE1 3.43Å; R263-E271 IonicContact CZ-OE2 3.53Å; R263-E271 IonicContact NE-OE2 3.25Å; R263-E271 PolarHBondContact NE-OE2 3.08Å; R263-E271 IonicContact NH2-OE1 3.29Å; R263-E271 PolarHBondContact NH2-OE1 2.84Å; R263-E271 IonicContact NH2-OE2 3.83Å; R263-E271 PolarHBondContact NH2-OE2 3.47Å
264F96.6Very high96Very high199 Ų199109.4 Ų109.487%0.87354%0.539SS*.PPolyproline II helixtrans-81.5135.2161.4-66.1-76.1000109.6
265A96.6Very high96.1Very high29 Ų29109.2 Ų109.224%0.2455%0.546CS..PPolyproline II helixtrans-63.2135.7172.200000109.8E271 F272A265-E271 HydrophobicContact CB-CB 4.18Å; A265-F272 HydrophobicContact CB-CB 3.87Å; A265-F272 HydrophobicContact CB-CD2 4.27Å; A265-F272 WeakPolarHBondContact O-CD2 3.11Å
266Q95.2Very high96.2Very high142 Ų142105.3 Ų105.366%0.66454%0.538SS*.PPolyproline II helixtrans-83.3133.5-176.2-66.2-176.71.500110.8G268 T269 F272Q266-G268 PolarHBondContact O-N 2.86Å; Q266-T269 HydrophobicContact CB-CG2 3.93Å; Q266-T269 WeakPolarHBondContact O-CB 3.36Å; Q266-T269 WeakPolarHBondContact O-CG2 3.36Å; Q266-T269 PolarHBondContact O-N 3.46Å; Q266-T269 VanDerWaalsContact O-N 3.1Å; Q266-T269 PolarHBondContact O-OG1 3.06Å; Q266-F272 WeakPolarHBondContact O-CB 3.46Å
267P96.6Very high96.2Very high105 Ų105107.1 Ų107.168%0.68254%0.541SS*.THydrogen-bonded Turntrans-52.7137.7174.9-27.235.4000112.3T269 F272P267-T269 VanDerWaalsContact C-N 3.34Å; P267-F272 HydrophobicContact CG-CD2 4.44Å; P267-F272 HydrophobicContact CG-CE2 4.17Å; P267-F272 HydrophobicContact CG-CZ 4.38Å
268G94.6Very high96.4Very high74 Ų74107.7 Ų107.776%0.76354%0.538SS*.THydrogen-bonded Turntrans82.92.1-175.200000115.3Q266Q266-G268 PolarHBondContact O-N 2.86Å
269T96.9Very high96.5Very high44 Ų44109.2 Ų109.227%0.2755%0.548SS..SBendtrans-94.8152.3169.465.70000111.8Q266 P267 E271 F272 E273Q266-T269 HydrophobicContact CB-CG2 3.93Å; Q266-T269 WeakPolarHBondContact O-CB 3.36Å; Q266-T269 WeakPolarHBondContact O-CG2 3.36Å; Q266-T269 PolarHBondContact O-N 3.46Å; Q266-T269 VanDerWaalsContact O-N 3.1Å; Q266-T269 PolarHBondContact O-OG1 3.06Å; P267-T269 VanDerWaalsContact C-N 3.34Å; T269-E271 PolarHBondContact O-N 3.02Å; T269-F272 PolarHBondContact O-N 2.77Å; T269-F272 PolarHBondContact OG1-N 3.31Å; T269-E273 PolarHBondContact O-N 2.66Å; T269-E273 VanDerWaalsContact O-N 3.1Å
270F96.1Very high96.6Very high159 Ų159105.7 Ų105.770%0.69754%0.542SS*.Hα-helixtrans-54.2-38.6172173.4-97.6000112.5F272 E273 Y274F270-F272 VanDerWaalsContact C-N 3.32Å; F270-F272 PolarHBondContact O-N 3.09Å; F270-E273 PolarHBondContact O-N 3.37Å; F270-Y274 WeakPolarHBondContact O-CB 3.32Å; F270-Y274 PolarHBondContact O-N 3.47Å
271E95.8Very high96.8Very high84 Ų84104.6 Ų104.639%0.39354%0.539SS..Hα-helixtrans-60.6-41.3177.2-58-170.3149.300111.9R263 A265 T269 A275R263-E271 IonicContact CZ-OE1 3.43Å; R263-E271 IonicContact CZ-OE2 3.53Å; R263-E271 IonicContact NE-OE2 3.25Å; R263-E271 PolarHBondContact NE-OE2 3.08Å; R263-E271 IonicContact NH2-OE1 3.29Å; R263-E271 PolarHBondContact NH2-OE1 2.84Å; R263-E271 IonicContact NH2-OE2 3.83Å; R263-E271 PolarHBondContact NH2-OE2 3.47Å; A265-E271 HydrophobicContact CB-CB 4.18Å; T269-E271 PolarHBondContact O-N 3.02Å; E271-A275 WeakPolarHBondContact O-CB 3.39Å; E271-A275 PolarHBondContact O-N 3.41Å
272F97.8Very high96.9Very high78 Ų78105.7 Ų105.734%0.34254%0.54SS..Hα-helixtrans-69-45.7178.1-179.8-90.2000111.5A265 Q266 P267 T269 F270 Y274 A275 S276A265-F272 HydrophobicContact CB-CB 3.87Å; A265-F272 HydrophobicContact CB-CD2 4.27Å; A265-F272 WeakPolarHBondContact O-CD2 3.11Å; Q266-F272 WeakPolarHBondContact O-CB 3.46Å; P267-F272 HydrophobicContact CG-CD2 4.44Å; P267-F272 HydrophobicContact CG-CE2 4.17Å; P267-F272 HydrophobicContact CG-CZ 4.38Å; T269-F272 PolarHBondContact O-N 2.77Å; T269-F272 PolarHBondContact OG1-N 3.31Å; F270-F272 VanDerWaalsContact C-N 3.32Å; F270-F272 PolarHBondContact O-N 3.09Å; F272-Y274 VanDerWaalsContact C-N 3.3Å; F272-Y274 PolarHBondContact O-N 3.11Å; F272-A275 PolarHBondContact O-N 3.42Å; F272-S276 WeakPolarHBondContact O-CB 3.42Å; F272-S276 PolarHBondContact O-N 2.65Å; F272-S276 PolarHBondContact O-OG 2.93Å
273E97.6Very high96.9Very high105 Ų105102.5 Ų102.549%0.49151%0.513SS..Hα-helixtrans-58.9-42.6176.3-68.2-173-177.500112.2T269 F270 R277T269-E273 PolarHBondContact O-N 2.66Å; T269-E273 VanDerWaalsContact O-N 3.1Å; F270-E273 PolarHBondContact O-N 3.37Å; E273-R277 WeakPolarHBondContact O-CG 3.31Å; E273-R277 PolarHBondContact O-N 3.48Å
274Y97.2Very high97.1Very high124 Ų124101.1 Ų101.149%0.48651%0.513SS..Hα-helixtrans-68-45.4177.8-169-111.2000111.8F270 F272 S276 R277 W278F270-Y274 WeakPolarHBondContact O-CB 3.32Å; F270-Y274 PolarHBondContact O-N 3.47Å; F272-Y274 VanDerWaalsContact C-N 3.3Å; F272-Y274 PolarHBondContact O-N 3.11Å; Y274-S276 VanDerWaalsContact C-N 3.32Å; Y274-S276 PolarHBondContact O-N 2.76Å; Y274-R277 PolarHBondContact O-N 3.28Å; Y274-W278 AromaticContact CD1-CD1 3.77Å; Y274-W278 AromaticContact CD1-NE1 3.84Å; Y274-W278 AromaticContact CE1-CD1 3.51Å; Y274-W278 AromaticContact CE1-NE1 3.08Å; Y274-W278 AromaticContact CE2-NE1 3.98Å; Y274-W278 AromaticContact CZ-CD1 3.83Å; Y274-W278 AromaticContact CZ-NE1 3.15Å; Y274-W278 PolarHBondContact O-N 2.89Å; Y274-W278 PolarHBondContact OH-NE1 2.9Å; Y274-W278 VanDerWaalsContact OH-NE1 3.15Å
275A97.5Very high97.1Very high40 Ų4097.5 Ų97.533%0.33150%0.499SS..Hα-helixtrans-63.1-35.4175.900000112.8E271 F272 W278 K279E271-A275 WeakPolarHBondContact O-CB 3.39Å; E271-A275 PolarHBondContact O-N 3.41Å; F272-A275 PolarHBondContact O-N 3.42Å; A275-W278 PolarHBondContact O-N 3.21Å; A275-K279 PolarHBondContact O-N 3.37Å
276S96.9Very high97.1Very high48 Ų48100.5 Ų100.534%0.33651%0.506SS..Hα-helixtrans-65.2-36.9173.6-76.30000112.5F272 Y274 K279 A280F272-S276 WeakPolarHBondContact O-CB 3.42Å; F272-S276 PolarHBondContact O-N 2.65Å; F272-S276 PolarHBondContact O-OG 2.93Å; Y274-S276 VanDerWaalsContact C-N 3.32Å; Y274-S276 PolarHBondContact O-N 2.76Å; S276-K279 PolarHBondContact O-N 2.75Å; S276-A280 PolarHBondContact O-N 2.88Å
277R97.8Very high97.3Very high178 Ų17898.7 Ų98.767%0.67250%0.498SS*.Hα-helixtrans-66.9-39172.2-68177.8-168.3-170.56112E273 Y274 A280 L281E273-R277 WeakPolarHBondContact O-CG 3.31Å; E273-R277 PolarHBondContact O-N 3.48Å; Y274-R277 PolarHBondContact O-N 3.28Å; R277-A280 PolarHBondContact O-N 2.84Å; R277-L281 PolarHBondContact O-N 3.04Å
278W97.7Very high97.3Very high141 Ų14199.2 Ų99.253%0.53449%0.491SS..Hα-helixtrans-61.9-41.9172.3-86.397.8000112.6Y274 A275 A280 L281 D282Y274-W278 AromaticContact CD1-CD1 3.77Å; Y274-W278 AromaticContact CD1-NE1 3.84Å; Y274-W278 AromaticContact CE1-CD1 3.51Å; Y274-W278 AromaticContact CE1-NE1 3.08Å; Y274-W278 AromaticContact CE2-NE1 3.98Å; Y274-W278 AromaticContact CZ-CD1 3.83Å; Y274-W278 AromaticContact CZ-NE1 3.15Å; Y274-W278 PolarHBondContact O-N 2.89Å; Y274-W278 PolarHBondContact OH-NE1 2.9Å; Y274-W278 VanDerWaalsContact OH-NE1 3.15Å; A275-W278 PolarHBondContact O-N 3.21Å; W278-A280 VanDerWaalsContact C-N 3.34Å; W278-A280 PolarHBondContact O-N 2.98Å; W278-L281 HydrophobicContact CE3-CD2 4.09Å; W278-L281 HydrophobicContact CZ3-CD2 4.05Å; W278-L281 WeakPolarHBondContact O-CB 3.48Å; W278-L281 PolarHBondContact O-N 3.16Å; W278-D282 PolarHBondContact O-N 3.02Å
279K97.8Very high97.4Very high159 Ų159103.2 Ų103.269%0.69148%0.483SS*.Hα-helixtrans-63.8-36.7173.3-74.3-173.4173.2-1700113.2A275 S276 L281 E283A275-K279 PolarHBondContact O-N 3.37Å; S276-K279 PolarHBondContact O-N 2.75Å; K279-L281 VanDerWaalsContact C-N 3.32Å; K279-E283 WeakPolarHBondContact O-CB 3.48Å; K279-E283 PolarHBondContact O-N 3.24Å
280A97.8Very high97.4Very high63 Ų63105.6 Ų105.652%0.52149%0.491SS..Hα-helixtrans-67.6-32.8174.200000112.3S276 R277 W278 M284S276-A280 PolarHBondContact O-N 2.88Å; R277-A280 PolarHBondContact O-N 2.84Å; W278-A280 VanDerWaalsContact C-N 3.34Å; W278-A280 PolarHBondContact O-N 2.98Å; A280-M284 VanDerWaalsContact O-CB 3.3Å; A280-M284 WeakPolarHBondContact O-CB 3.48Å; A280-M284 PolarHBondContact O-N 3.06Å; A280-M284 VanDerWaalsContact O-N 3.09Å
281L97.9Very high97.4Very high83 Ų83101.7 Ų101.744%0.43548%0.475SS..Hα-helixtrans-67.1-47.3173.7-16782.6000111.6R277 W278 K279 M284 E285R277-L281 PolarHBondContact O-N 3.04Å; W278-L281 HydrophobicContact CE3-CD2 4.09Å; W278-L281 HydrophobicContact CZ3-CD2 4.05Å; W278-L281 WeakPolarHBondContact O-CB 3.48Å; W278-L281 PolarHBondContact O-N 3.16Å; K279-L281 VanDerWaalsContact C-N 3.32Å; L281-M284 HydrophobicContact CD1-CE 3.78Å; L281-M284 WeakPolarHBondContact O-CB 3.44Å; L281-M284 PolarHBondContact O-N 3.22Å; L281-E285 PolarHBondContact O-N 3.41Å
282D97.8Very high97.5Very high106 Ų106101.7 Ų101.757%0.56748%0.481SS*.Hα-helixtrans-60.9-45.7178-17973000112.1W278 M284 E285 K286W278-D282 PolarHBondContact O-N 3.02Å; D282-M284 VanDerWaalsContact C-N 3.34Å; D282-M284 PolarHBondContact O-N 2.87Å; D282-E285 PolarHBondContact O-N 3.43Å; D282-K286 WeakPolarHBondContact O-CB 3.48Å; D282-K286 PolarHBondContact O-N 3.12Å
283E98.1Very high97.4Very high75 Ų75101.8 Ų101.835%0.3549%0.485SS..Hα-helixtrans-66.8-34.2175.9-17957.6-146.800112K279 K286 Q287K279-E283 WeakPolarHBondContact O-CB 3.48Å; K279-E283 PolarHBondContact O-N 3.24Å; E283-K286 IonicContact OE1-NZ 2.73Å; E283-K286 IonicContact OE2-NZ 3.77Å; E283-K286 PolarHBondContact OE2-NZ 2.95Å; E283-Q287 WeakPolarHBondContact O-CB 3.23Å; E283-Q287 VanDerWaalsContact O-CG 3.22Å; E283-Q287 WeakPolarHBondContact O-CG 3.45Å; E283-Q287 PolarHBondContact O-N 3.39Å; E283-Q287 PolarHBondContact OE1-NE2 3.03Å
284M97.9Very high97.3Very high88 Ų88102.6 Ų102.643%0.43348%0.483SS..Hα-helixtrans-67.4-43.1172.3-179.1-16767.500112.1A280 L281 D282 Q287 Q288A280-M284 VanDerWaalsContact O-CB 3.3Å; A280-M284 WeakPolarHBondContact O-CB 3.48Å; A280-M284 PolarHBondContact O-N 3.06Å; A280-M284 VanDerWaalsContact O-N 3.09Å; L281-M284 HydrophobicContact CD1-CE 3.78Å; L281-M284 WeakPolarHBondContact O-CB 3.44Å; L281-M284 PolarHBondContact O-N 3.22Å; D282-M284 VanDerWaalsContact C-N 3.34Å; D282-M284 PolarHBondContact O-N 2.87Å; M284-Q287 PolarHBondContact O-N 3.4Å; M284-Q288 WeakPolarHBondContact O-CG 3.49Å; M284-Q288 PolarHBondContact O-N 2.87Å
285E97.6Very high97.3Very high123 Ų123100.6 Ų100.658%0.57548%0.481SS*.Hα-helixtrans-59.6-47.7175.3179.7177.7165.400110.5L281 D282 Q287 Q288 R289L281-E285 PolarHBondContact O-N 3.41Å; D282-E285 PolarHBondContact O-N 3.43Å; E285-Q287 PolarHBondContact O-N 3.15Å; E285-Q288 PolarHBondContact O-N 3.26Å; E285-R289 WeakPolarHBondContact O-CB 3.41Å; E285-R289 PolarHBondContact O-N 3.46Å
286K97.6Very high97.2Very high91 Ų91104.1 Ų104.140%0.39649%0.493SS..Hα-helixtrans-57.7-47.2175.2178.2-176.1155.6-144.40112.2D282 E283 Q288 R289 E290D282-K286 WeakPolarHBondContact O-CB 3.48Å; D282-K286 PolarHBondContact O-N 3.12Å; E283-K286 IonicContact OE1-NZ 2.73Å; E283-K286 IonicContact OE2-NZ 3.77Å; E283-K286 PolarHBondContact OE2-NZ 2.95Å; K286-Q288 PolarHBondContact O-N 2.93Å; K286-R289 PolarHBondContact O-N 3.06Å; K286-E290 WeakPolarHBondContact CE-OE1 3.23Å; K286-E290 HydrophobicContact CG-CG 4.49Å; K286-E290 WeakPolarHBondContact O-CB 2.9Å; K286-E290 WeakPolarHBondContact O-CG 3.27Å; K286-E290 PolarHBondContact O-N 3.19Å
287Q97.4Very high96.9Very high104 Ų104107.5 Ų107.549%0.48650%0.502SS..Hα-helixtrans-61.9-40.9177.5-75.5171.719.600112.6E283 M284 E285 Q291E283-Q287 WeakPolarHBondContact O-CB 3.23Å; E283-Q287 VanDerWaalsContact O-CG 3.22Å; E283-Q287 WeakPolarHBondContact O-CG 3.45Å; E283-Q287 PolarHBondContact O-N 3.39Å; E283-Q287 PolarHBondContact OE1-NE2 3.03Å; M284-Q287 PolarHBondContact O-N 3.4Å; E285-Q287 PolarHBondContact O-N 3.15Å; Q287-Q291 WeakPolarHBondContact O-CB 3.49Å; Q287-Q291 PolarHBondContact O-N 3.13Å
288Q97.3Very high96.8Very high117 Ų117104.5 Ų104.555%0.54750%0.495SS..Hα-helixtrans-63.2-44.9174.1-72.2-179.710.300111.2M284 E285 K286 Q291 V292M284-Q288 WeakPolarHBondContact O-CG 3.49Å; M284-Q288 PolarHBondContact O-N 2.87Å; E285-Q288 PolarHBondContact O-N 3.26Å; K286-Q288 PolarHBondContact O-N 2.93Å; Q288-Q291 PolarHBondContact O-N 2.79Å; Q288-V292 WeakPolarHBondContact O-CG2 3.34Å; Q288-V292 PolarHBondContact O-N 3.46Å
289R97.1Very high96.7Very high158 Ų158100.6 Ų100.660%0.59649%0.493SS*.Hα-helixtrans-62.1-45.6178.3-165-174.7177.7-61.3-16112E285 K286 Q291 V292 D293E285-R289 WeakPolarHBondContact O-CB 3.41Å; E285-R289 PolarHBondContact O-N 3.46Å; K286-R289 PolarHBondContact O-N 3.06Å; R289-Q291 VanDerWaalsContact C-N 3.35Å; R289-Q291 PolarHBondContact O-N 2.91Å; R289-V292 PolarHBondContact O-N 3.17Å; R289-D293 IonicContact CZ-OD2 3.46Å; R289-D293 IonicContact NH1-OD2 2.7Å; R289-D293 PolarHBondContact NH1-OD2 3.15Å; R289-D293 IonicContact NH2-OD2 3.42Å; R289-D293 WeakPolarHBondContact O-CB 3.41Å; R289-D293 PolarHBondContact O-N 2.74Å
290E96.4Very high96.3Very high93 Ų9398.5 Ų98.544%0.43548%0.481SS..Hα-helixtrans-66.5-32.2176-73.5178-170.900113K286 R294K286-E290 WeakPolarHBondContact CE-OE1 3.23Å; K286-E290 HydrophobicContact CG-CG 4.49Å; K286-E290 WeakPolarHBondContact O-CB 2.9Å; K286-E290 WeakPolarHBondContact O-CG 3.27Å; K286-E290 PolarHBondContact O-N 3.19Å; E290-R294 WeakPolarHBondContact O-CB 3.47Å; E290-R294 WeakPolarHBondContact O-CG 3.38Å; E290-R294 PolarHBondContact O-N 3.12Å; E290-R294 PolarHBondContact O-NE 2.99Å
291Q97.4Very high96Very high78 Ų78100.1 Ų100.136%0.36448%0.478SS..Hα-helixtrans-70.4-41.4173.2-17363.463.900111.5Q287 Q288 R289 R294 N295Q287-Q291 WeakPolarHBondContact O-CB 3.49Å; Q287-Q291 PolarHBondContact O-N 3.13Å; Q288-Q291 PolarHBondContact O-N 2.79Å; R289-Q291 VanDerWaalsContact C-N 3.35Å; R289-Q291 PolarHBondContact O-N 2.91Å; Q291-R294 PolarHBondContact O-N 3.22Å; Q291-R294 VanDerWaalsContact OE1-CZ 3.32Å; Q291-N295 PolarHBondContact NE2-OD1 3.38Å; Q291-N295 WeakPolarHBondContact O-CB 3.46Å; Q291-N295 PolarHBondContact O-N 3.33Å; Q291-N295 PolarHBondContact O-OD1 3.2Å; Q291-N295 VanDerWaalsContact O-OD1 3.08Å
292V97.6Very high95.9Very high84 Ų84102.6 Ų102.651%0.50949%0.485SS..Hα-helixtrans-63.9-47.3173.9171.80000110.7Q288 R289 R294 N295 I296Q288-V292 WeakPolarHBondContact O-CG2 3.34Å; Q288-V292 PolarHBondContact O-N 3.46Å; R289-V292 PolarHBondContact O-N 3.17Å; V292-R294 VanDerWaalsContact C-N 3.29Å; V292-R294 PolarHBondContact O-N 3.07Å; V292-N295 PolarHBondContact O-N 3.4Å; V292-I296 HydrophobicContact CG1-CG1 4.16Å; V292-I296 WeakPolarHBondContact O-CB 3.31Å; V292-I296 VanDerWaalsContact O-CG1 3.29Å; V292-I296 WeakPolarHBondContact O-CG1 3.41Å; V292-I296 PolarHBondContact O-N 2.95Å
293D94.3Very high95.6Very high80 Ų80103 Ų10343%0.42849%0.486SS..Hα-helixtrans-59.1-39.1178.1-77.7-16.7000111.6R289 K297R289-D293 IonicContact CZ-OD2 3.46Å; R289-D293 IonicContact NH1-OD2 2.7Å; R289-D293 PolarHBondContact NH1-OD2 3.15Å; R289-D293 IonicContact NH2-OD2 3.42Å; R289-D293 WeakPolarHBondContact O-CB 3.41Å; R289-D293 PolarHBondContact O-N 2.74Å; D293-K297 WeakPolarHBondContact O-CB 3.46Å; D293-K297 PolarHBondContact O-N 3.37Å
294R96.1Very high95.1Very high122 Ų122104.2 Ų104.246%0.4649%0.492SS..Hα-helixtrans-64.7-50.6172.1-80.2-176-72.6135.9-1.1112.7E290 Q291 V292 I296 K297 E298E290-R294 WeakPolarHBondContact O-CB 3.47Å; E290-R294 WeakPolarHBondContact O-CG 3.38Å; E290-R294 PolarHBondContact O-N 3.12Å; E290-R294 PolarHBondContact O-NE 2.99Å; Q291-R294 PolarHBondContact O-N 3.22Å; Q291-R294 VanDerWaalsContact OE1-CZ 3.32Å; V292-R294 VanDerWaalsContact C-N 3.29Å; V292-R294 PolarHBondContact O-N 3.07Å; R294-I296 VanDerWaalsContact C-N 3.29Å; R294-I296 PolarHBondContact O-N 2.99Å; R294-K297 WeakPolarHBondContact O-CB 3.33Å; R294-K297 PolarHBondContact O-N 3.16Å; R294-K297 VanDerWaalsContact O-N 3.11Å; R294-E298 WeakPolarHBondContact O-CG 3.35Å; R294-E298 PolarHBondContact O-N 2.98Å
295N97.3Very high94.7Very high81 Ų81103 Ų10343%0.43350%0.497SS..Hα-helixtrans-58.3-41.5179.9-66.7-0.9000111.8Q291 V292 A299Q291-N295 PolarHBondContact NE2-OD1 3.38Å; Q291-N295 WeakPolarHBondContact O-CB 3.46Å; Q291-N295 PolarHBondContact O-N 3.33Å; Q291-N295 PolarHBondContact O-OD1 3.2Å; Q291-N295 VanDerWaalsContact O-OD1 3.08Å; V292-N295 PolarHBondContact O-N 3.4Å; N295-A299 WeakPolarHBondContact O-CB 3.47Å; N295-A299 PolarHBondContact O-N 3.07Å
296I94.6Very high94.4Very high114 Ų114102.1 Ų102.159%0.58549%0.492SS*.Hα-helixtrans-68.6-38.3177.5-66.1-65.4000111.3V292 R294 R300V292-I296 HydrophobicContact CG1-CG1 4.16Å; V292-I296 WeakPolarHBondContact O-CB 3.31Å; V292-I296 VanDerWaalsContact O-CG1 3.29Å; V292-I296 WeakPolarHBondContact O-CG1 3.41Å; V292-I296 PolarHBondContact O-N 2.95Å; R294-I296 VanDerWaalsContact C-N 3.29Å; R294-I296 PolarHBondContact O-N 2.99Å; I296-R300 WeakPolarHBondContact O-CB 3.11Å; I296-R300 PolarHBondContact O-N 3.13Å
297K92.3Very high94Very high119 Ų119101.2 Ų101.252%0.51749%0.491SS..Hα-helixtrans-64.3-47.8175.2-177.2176.4-179.1-750111.9D293 R294 A299 R300 E301D293-K297 WeakPolarHBondContact O-CB 3.46Å; D293-K297 PolarHBondContact O-N 3.37Å; R294-K297 WeakPolarHBondContact O-CB 3.33Å; R294-K297 PolarHBondContact O-N 3.16Å; R294-K297 VanDerWaalsContact O-N 3.11Å; K297-A299 PolarHBondContact O-N 3.01Å; K297-R300 WeakPolarHBondContact O-CB 3.49Å; K297-R300 PolarHBondContact O-N 3.48Å; K297-E301 VanDerWaalsContact CE-OE1 3.29Å; K297-E301 WeakPolarHBondContact CE-OE1 3.4Å; K297-E301 IonicContact NZ-OE1 3.55Å; K297-E301 PolarHBondContact NZ-OE1 3.12Å; K297-E301 IonicContact NZ-OE2 3.92Å; K297-E301 WeakPolarHBondContact O-CG 3.23Å; K297-E301 PolarHBondContact O-N 3.41Å
298E95.5Very high93.5Very high116 Ų11699.9 Ų99.954%0.54249%0.485SS..Hα-helixtrans-61.9-42.8177.5-71.1172.5-163.800111.7R294 R300 E301 K302R294-E298 WeakPolarHBondContact O-CG 3.35Å; R294-E298 PolarHBondContact O-N 2.98Å; E298-R300 VanDerWaalsContact C-N 3.33Å; E298-R300 PolarHBondContact O-N 3.3Å; E298-E301 PolarHBondContact O-N 2.92Å; E298-K302 WeakPolarHBondContact O-CB 3.37Å; E298-K302 PolarHBondContact O-N 3.48Å
299A95.2Very high93.2Very high59 Ų5997 Ų9749%0.48848%0.481SS..Hα-helixtrans-62.6-38.5175.200000112.6N295 K297 L303N295-A299 WeakPolarHBondContact O-CB 3.47Å; N295-A299 PolarHBondContact O-N 3.07Å; K297-A299 PolarHBondContact O-N 3.01Å; A299-L303 WeakPolarHBondContact O-CB 3.35Å; A299-L303 PolarHBondContact O-N 2.85Å
300R89.9Confident92.9Very high115 Ų11592.2 Ų92.243%0.43448%0.475SS..Hα-helixtrans-66-49174.9177.7-170.6173.1130.611111.9N161 I296 K297 E298 K302 L303 E304N161-R300 PolarHBondContact OD1-NH1 3.01Å; N161-R300 PolarHBondContact OD1-NH2 3.32Å; I296-R300 WeakPolarHBondContact O-CB 3.11Å; I296-R300 PolarHBondContact O-N 3.13Å; K297-R300 WeakPolarHBondContact O-CB 3.49Å; K297-R300 PolarHBondContact O-N 3.48Å; E298-R300 VanDerWaalsContact C-N 3.33Å; E298-R300 PolarHBondContact O-N 3.3Å; R300-K302 VanDerWaalsContact C-N 3.26Å; R300-K302 PolarHBondContact O-N 3.33Å; R300-L303 PolarHBondContact O-N 3.47Å; R300-E304 WeakPolarHBondContact O-CB 3.42Å; R300-E304 PolarHBondContact O-N 3.43Å
301E91.1Very high92.5Very high96 Ų9692.5 Ų92.545%0.44948%0.475SS..Hα-helixtrans-61-38.3179.6-74.2173.8178.400111.2K297 E298 E304 A305K297-E301 VanDerWaalsContact CE-OE1 3.29Å; K297-E301 WeakPolarHBondContact CE-OE1 3.4Å; K297-E301 IonicContact NZ-OE1 3.55Å; K297-E301 PolarHBondContact NZ-OE1 3.12Å; K297-E301 IonicContact NZ-OE2 3.92Å; K297-E301 WeakPolarHBondContact O-CG 3.23Å; K297-E301 PolarHBondContact O-N 3.41Å; E298-E301 PolarHBondContact O-N 2.92Å; E301-E304 PolarHBondContact O-N 2.93Å; E301-A305 WeakPolarHBondContact O-CB 3.35Å; E301-A305 PolarHBondContact O-N 2.99Å
302K95.1Very high92.2Very high136 Ų13692.6 Ų92.659%0.59148%0.478SS*.Hα-helixtrans-62.9-47.4172.7-176.9177.9170.2-176.90112.5E298 R300 E304 A305 E306E298-K302 WeakPolarHBondContact O-CB 3.37Å; E298-K302 PolarHBondContact O-N 3.48Å; R300-K302 VanDerWaalsContact C-N 3.26Å; R300-K302 PolarHBondContact O-N 3.33Å; K302-E304 VanDerWaalsContact C-N 3.3Å; K302-E304 PolarHBondContact O-N 3.15Å; K302-A305 PolarHBondContact O-N 3.34Å; K302-E306 WeakPolarHBondContact CE-OE1 3.46Å; K302-E306 IonicContact NZ-OE1 3.62Å; K302-E306 WeakPolarHBondContact O-CG 3.33Å; K302-E306 PolarHBondContact O-N 3.02Å
303L91.1Very high92Very high113 Ų11395.4 Ų95.459%0.59249%0.486SS*.Hα-helixtrans-61.9-38.4178-179.964.5000112.1A299 R300 E306 L307A299-L303 WeakPolarHBondContact O-CB 3.35Å; A299-L303 PolarHBondContact O-N 2.85Å; R300-L303 PolarHBondContact O-N 3.47Å; L303-E306 PolarHBondContact O-N 3.1Å; L303-L307 WeakPolarHBondContact O-CB 3.42Å; L303-L307 PolarHBondContact O-N 3.13Å
304E87.5Confident91.9Very high101 Ų10196.7 Ų96.747%0.47249%0.489SS..Hα-helixtrans-65.9-42.1176.6-170.7163-176.600111.5R300 E301 K302 L307 E308R300-E304 WeakPolarHBondContact O-CB 3.42Å; R300-E304 PolarHBondContact O-N 3.43Å; E301-E304 PolarHBondContact O-N 2.93Å; K302-E304 VanDerWaalsContact C-N 3.3Å; K302-E304 PolarHBondContact O-N 3.15Å; E304-L307 PolarHBondContact O-N 3.15Å; E304-E308 WeakPolarHBondContact O-CB 3.23Å; E304-E308 PolarHBondContact O-N 3.2Å
305A90.6Very high91.7Very high64 Ų6495.5 Ų95.553%0.52949%0.489SS..Hα-helixtrans-65.1-41174.300000113.2E301 K302 A309E301-A305 WeakPolarHBondContact O-CB 3.35Å; E301-A305 PolarHBondContact O-N 2.99Å; K302-A305 PolarHBondContact O-N 3.34Å; A305-A309 WeakPolarHBondContact O-CB 3.44Å; A305-A309 PolarHBondContact O-N 2.63Å
306E92.2Very high91.6Very high103 Ų10397.1 Ų97.148%0.48150%0.497SS..Hα-helixtrans-63-41175-74.9175.8-176.400111.7K302 L303 A309 A310K302-E306 WeakPolarHBondContact CE-OE1 3.46Å; K302-E306 IonicContact NZ-OE1 3.62Å; K302-E306 WeakPolarHBondContact O-CG 3.33Å; K302-E306 PolarHBondContact O-N 3.02Å; L303-E306 PolarHBondContact O-N 3.1Å; E306-A309 PolarHBondContact O-N 3.36Å; E306-A310 WeakPolarHBondContact O-CB 3.33Å; E306-A310 PolarHBondContact O-N 3.49Å
307L87.2Confident91.6Very high73 Ų7397.1 Ų97.138%0.38250%0.496SS..Hα-helixtrans-67.3-44.7177.7-169.2151.4000112.2P226 L303 E304 A309 A310 K311P226-L307 HydrophobicContact CG-CD1 3.74Å; P226-L307 HydrophobicContact CG-CD2 3.87Å; P226-L307 HydrophobicContact CG-CG 4.43Å; L303-L307 WeakPolarHBondContact O-CB 3.42Å; L303-L307 PolarHBondContact O-N 3.13Å; E304-L307 PolarHBondContact O-N 3.15Å; L307-A309 VanDerWaalsContact C-N 3.33Å; L307-A309 PolarHBondContact O-N 2.89Å; L307-A310 PolarHBondContact O-N 2.95Å; L307-K311 WeakPolarHBondContact O-CB 3.32Å; L307-K311 PolarHBondContact O-N 3.45Å
308E87.8Confident91.7Very high75 Ų7595.6 Ų95.635%0.3549%0.493SS..Hα-helixtrans-65.1-37.9178-163.564.7-149.100111E304 K311 N312E304-E308 WeakPolarHBondContact O-CB 3.23Å; E304-E308 PolarHBondContact O-N 3.2Å; E308-K311 IonicContact OE1-NZ 2.75Å; E308-K311 PolarHBondContact OE1-NZ 3.03Å; E308-K311 IonicContact OE2-NZ 2.9Å; E308-K311 PolarHBondContact OE2-NZ 2.98Å; E308-N312 WeakPolarHBondContact O-CB 3.42Å; E308-N312 PolarHBondContact O-N 3.04Å; E308-N312 PolarHBondContact O-ND2 3.09Å
309A91.8Very high91.6Very high57 Ų5795.6 Ų95.647%0.47149%0.494SS..Hα-helixtrans-62-49.8172.700000112.2A305 E306 L307 K311 N312 E313A305-A309 WeakPolarHBondContact O-CB 3.44Å; A305-A309 PolarHBondContact O-N 2.63Å; E306-A309 PolarHBondContact O-N 3.36Å; L307-A309 VanDerWaalsContact C-N 3.33Å; L307-A309 PolarHBondContact O-N 2.89Å; A309-K311 VanDerWaalsContact C-N 3.33Å; A309-K311 PolarHBondContact O-N 3.41Å; A309-N312 PolarHBondContact O-N 3.42Å; A309-E313 PolarHBondContact O-N 3.49Å
310A90.2Very high91.6Very high57 Ų57101.4 Ų101.447%0.47150%0.503SS..Hα-helixtrans-62.4-38.3179.300000112.7E306 L307 E313 H314E306-A310 WeakPolarHBondContact O-CB 3.33Å; E306-A310 PolarHBondContact O-N 3.49Å; L307-A310 PolarHBondContact O-N 2.95Å; A310-E313 PolarHBondContact O-N 2.93Å; A310-H314 WeakPolarHBondContact O-CB 3.44Å; A310-H314 PolarHBondContact O-N 3.25Å
311K87.8Confident91.9Very high99 Ų99102 Ų10243%0.4351%0.511SS..Hα-helixtrans-61.8-46.5173.3171.7-173.8159.9-147.40111.7L307 E308 A309 H314 Q315L307-K311 WeakPolarHBondContact O-CB 3.32Å; L307-K311 PolarHBondContact O-N 3.45Å; E308-K311 IonicContact OE1-NZ 2.75Å; E308-K311 PolarHBondContact OE1-NZ 3.03Å; E308-K311 IonicContact OE2-NZ 2.9Å; E308-K311 PolarHBondContact OE2-NZ 2.98Å; A309-K311 VanDerWaalsContact C-N 3.33Å; A309-K311 PolarHBondContact O-N 3.41Å; K311-H314 PolarHBondContact O-N 3.46Å; K311-Q315 WeakPolarHBondContact O-CB 3.47Å; K311-Q315 PolarHBondContact O-N 3.48Å
312N91.4Very high92Very high81 Ų8199.6 Ų99.643%0.43350%0.501SS..Hα-helixtrans-66.6-39.3178.7-71.2-32.6000112E308 A309 Q315 L316E308-N312 WeakPolarHBondContact O-CB 3.42Å; E308-N312 PolarHBondContact O-N 3.04Å; E308-N312 PolarHBondContact O-ND2 3.09Å; A309-N312 PolarHBondContact O-N 3.42Å; N312-Q315 PolarHBondContact O-N 2.95Å; N312-L316 WeakPolarHBondContact O-CB 3.36Å; N312-L316 PolarHBondContact O-N 2.92Å
313E93.6Very high92.1Very high142 Ų14297.7 Ų97.766%0.66450%0.497SS*.Hα-helixtrans-63.7-44.7173.6-175.6175-168.400111.8A309 A310 Q315 L316 M317A309-E313 PolarHBondContact O-N 3.49Å; A310-E313 PolarHBondContact O-N 2.93Å; E313-Q315 PolarHBondContact O-N 3.39Å; E313-L316 PolarHBondContact O-N 2.84Å; E313-M317 WeakPolarHBondContact O-CB 3.37Å; E313-M317 PolarHBondContact O-N 3.48Å
314H91.8Very high92.2Very high107 Ų10797.4 Ų97.450%0.49549%0.494SS..Hα-helixtrans-62.2-43.2176.3-176.662.4000112.1A310 K311 L316 M317 L318A310-H314 WeakPolarHBondContact O-CB 3.44Å; A310-H314 PolarHBondContact O-N 3.25Å; K311-H314 PolarHBondContact O-N 3.46Å; H314-L316 VanDerWaalsContact C-N 3.34Å; H314-L316 PolarHBondContact O-N 3.49Å; H314-M317 WeakPolarHBondContact O-CB 3.41Å; H314-M317 PolarHBondContact O-N 3.48Å; H314-L318 WeakPolarHBondContact O-CG 3.28Å; H314-L318 PolarHBondContact O-N 3.31Å
315Q91.2Very high92.5Very high97 Ų9799.4 Ų99.445%0.45350%0.497SS..Hα-helixtrans-62.3-41.2175.1-176.4173.1-28.500111.8K311 N312 E313 L318 M319K311-Q315 WeakPolarHBondContact O-CB 3.47Å; K311-Q315 PolarHBondContact O-N 3.48Å; N312-Q315 PolarHBondContact O-N 2.95Å; E313-Q315 PolarHBondContact O-N 3.39Å; Q315-L318 PolarHBondContact O-N 3.38Å; Q315-M319 HydrophobicContact CG-CE 4.2Å; Q315-M319 WeakPolarHBondContact O-CG 3.44Å; Q315-M319 PolarHBondContact O-N 3.05Å
316L95.1Very high92.7Very high116 Ų116103.2 Ų103.261%0.60750%0.498SS*.Hα-helixtrans-64.6-39.6174.4179.661.5000112.1N312 E313 H314 M319 R320N312-L316 WeakPolarHBondContact O-CB 3.36Å; N312-L316 PolarHBondContact O-N 2.92Å; E313-L316 PolarHBondContact O-N 2.84Å; H314-L316 VanDerWaalsContact C-N 3.34Å; H314-L316 PolarHBondContact O-N 3.49Å; L316-M319 PolarHBondContact O-N 2.84Å; L316-R320 VanDerWaalsContact O-CB 3.28Å; L316-R320 WeakPolarHBondContact O-CB 3.46Å; L316-R320 PolarHBondContact O-N 3.02Å
317M94.5Very high92.7Very high114 Ų114103.4 Ų103.456%0.56250%0.499SS*.Hα-helixtrans-60.6-46175.4178.6-174.6139.700111.4E313 H314 R320 Q321E313-M317 WeakPolarHBondContact O-CB 3.37Å; E313-M317 PolarHBondContact O-N 3.48Å; H314-M317 WeakPolarHBondContact O-CB 3.41Å; H314-M317 PolarHBondContact O-N 3.48Å; M317-R320 PolarHBondContact O-N 3.25Å; M317-Q321 PolarHBondContact O-N 3.47Å
318L94.5Very high93Very high87 Ų87104.8 Ų104.846%0.45550%0.504SS..Hα-helixtrans-61.6-45.7176.3-69173.1000111.7H314 Q315 R320 Q321 D322H314-L318 WeakPolarHBondContact O-CG 3.28Å; H314-L318 PolarHBondContact O-N 3.31Å; Q315-L318 PolarHBondContact O-N 3.38Å; L318-R320 PolarHBondContact O-N 2.66Å; L318-Q321 PolarHBondContact O-N 2.93Å; L318-D322 PolarHBondContact O-N 3.11Å; L318-D322 VanDerWaalsContact O-N 3.09Å
319M94.6Very high93.3Very high115 Ų115106.5 Ų106.557%0.56751%0.511SS*.Hα-helixtrans-62.7-40.4175.9-72.2-177.1175.300112.3Q315 L316 D322 L323Q315-M319 HydrophobicContact CG-CE 4.2Å; Q315-M319 WeakPolarHBondContact O-CG 3.44Å; Q315-M319 PolarHBondContact O-N 3.05Å; L316-M319 PolarHBondContact O-N 2.84Å; M319-D322 PolarHBondContact O-N 3.42Å; M319-L323 WeakPolarHBondContact O-CB 3.38Å; M319-L323 PolarHBondContact O-N 2.92Å
320R95.4Very high93.3Very high181 Ų181108.8 Ų108.868%0.68352%0.515SS*.Hα-helixtrans-64.5-39.3176.5-174.7177.4-177.8177.31.1111.6L316 M317 L318 L323 M324L316-R320 VanDerWaalsContact O-CB 3.28Å; L316-R320 WeakPolarHBondContact O-CB 3.46Å; L316-R320 PolarHBondContact O-N 3.02Å; M317-R320 PolarHBondContact O-N 3.25Å; L318-R320 PolarHBondContact O-N 2.66Å; R320-L323 PolarHBondContact O-N 3.3Å; R320-M324 WeakPolarHBondContact O-CB 3.36Å; R320-M324 WeakPolarHBondContact O-CG 3.43Å; R320-M324 PolarHBondContact O-N 3.09Å
321Q94.7Very high93.5Very high128 Ų128113.7 Ų113.760%0.59852%0.522SS*.Hα-helixtrans-64.9-43.8176.9-170.3178.218.200111.7M317 L318 M324 R325M317-Q321 PolarHBondContact O-N 3.47Å; L318-Q321 PolarHBondContact O-N 2.93Å; Q321-M324 PolarHBondContact O-N 2.9Å; Q321-R325 WeakPolarHBondContact O-CB 3.47Å; Q321-R325 PolarHBondContact O-N 3.32Å
322D95.1Very high93.8Very high45 Ų45115.9 Ų115.924%0.24153%0.527CS..Hα-helixtrans-66.6-40.4175.9-17531.1000112L318 M319 R325 R326L318-D322 PolarHBondContact O-N 3.11Å; L318-D322 VanDerWaalsContact O-N 3.09Å; M319-D322 PolarHBondContact O-N 3.42Å; D322-R325 WeakPolarHBondContact O-CB 3.22Å; D322-R325 PolarHBondContact O-N 2.91Å; D322-R325 IonicContact OD1-CZ 2.69Å; D322-R325 IonicContact OD1-NE 3.69Å; D322-R325 PolarHBondContact OD1-NE 2.98Å; D322-R325 IonicContact OD1-NH2 3.96Å; D322-R325 PolarHBondContact OD1-NH2 3.35Å; D322-R326 VanDerWaalsContact O-CG 3.3Å; D322-R326 WeakPolarHBondContact O-CG 3.5Å; D322-R326 PolarHBondContact O-N 2.98Å; D322-R326 IonicContact OD1-CZ 2.71Å; D322-R326 IonicContact OD1-NE 2.7Å; D322-R326 PolarHBondContact OD1-NE 2.7Å; D322-R326 VanDerWaalsContact OD1-NE 3.17Å; D322-R326 IonicContact OD1-NH2 3.64Å; D322-R326 IonicContact OD2-CZ 3.98Å; D322-R326 VanDerWaalsContact OD2-CZ 3.23Å; D322-R326 IonicContact OD2-NE 3.49Å; D322-R326 PolarHBondContact OD2-NE 3.47Å; D322-R326 VanDerWaalsContact OD2-NE 3.11Å; D322-R326 IonicContact OD2-NH2 3.9Å; D322-R326 PolarHBondContact OD2-NH2 3.42Å
323L95.7Very high93.9Very high96 Ų96117.5 Ų117.550%0.50354%0.535SS..Hα-helixtrans-63.4-43.7175.5-169.7152.3000111.9M319 R320 R325 R326 Q327M319-L323 WeakPolarHBondContact O-CB 3.38Å; M319-L323 PolarHBondContact O-N 2.92Å; R320-L323 PolarHBondContact O-N 3.3Å; L323-R325 PolarHBondContact O-N 3.42Å; L323-R326 PolarHBondContact O-N 3.5Å; L323-Q327 HydrophobicContact CD2-CG 4Å; L323-Q327 WeakPolarHBondContact O-CB 3.5Å; L323-Q327 WeakPolarHBondContact O-CG 3.49Å; L323-Q327 PolarHBondContact O-N 2.99Å
324M93Very high93.8Very high107 Ų107117 Ų11753%0.52753%0.533SS..Hα-helixtrans-59.8-44.3173.9-75.8-69-60.200111.7R320 Q321 R326 Q327 E328R320-M324 WeakPolarHBondContact O-CB 3.36Å; R320-M324 WeakPolarHBondContact O-CG 3.43Å; R320-M324 PolarHBondContact O-N 3.09Å; Q321-M324 PolarHBondContact O-N 2.9Å; M324-R326 PolarHBondContact O-N 3.5Å; M324-Q327 PolarHBondContact O-N 2.92Å; M324-E328 PolarHBondContact O-N 3.47Å
325R94.9Very high93.9Very high144 Ų144116 Ų11654%0.54353%0.529SS..Hα-helixtrans-58.1-49.4175.9179.4-179.264166.7-1.3111.5Q321 D322 L323 Q327 E328 E329Q321-R325 WeakPolarHBondContact O-CB 3.47Å; Q321-R325 PolarHBondContact O-N 3.32Å; D322-R325 WeakPolarHBondContact O-CB 3.22Å; D322-R325 PolarHBondContact O-N 2.91Å; D322-R325 IonicContact OD1-CZ 2.69Å; D322-R325 IonicContact OD1-NE 3.69Å; D322-R325 PolarHBondContact OD1-NE 2.98Å; D322-R325 IonicContact OD1-NH2 3.96Å; D322-R325 PolarHBondContact OD1-NH2 3.35Å; L323-R325 PolarHBondContact O-N 3.42Å; R325-Q327 PolarHBondContact O-N 3.39Å; R325-E328 PolarHBondContact O-N 3.47Å; R325-E329 WeakPolarHBondContact CG-OE1 3.45Å; R325-E329 WeakPolarHBondContact O-CG 3.29Å; R325-E329 PolarHBondContact O-N 3.48Å
326R94.4Very high94Very high143 Ų143116.4 Ų116.454%0.5453%0.533SS..Hα-helixtrans-64.2-37.9178.6-66171.9-167-151.47.7112.4D322 L323 M324 E329 L330D322-R326 VanDerWaalsContact O-CG 3.3Å; D322-R326 WeakPolarHBondContact O-CG 3.5Å; D322-R326 PolarHBondContact O-N 2.98Å; D322-R326 IonicContact OD1-CZ 2.71Å; D322-R326 IonicContact OD1-NE 2.7Å; D322-R326 PolarHBondContact OD1-NE 2.7Å; D322-R326 VanDerWaalsContact OD1-NE 3.17Å; D322-R326 IonicContact OD1-NH2 3.64Å; D322-R326 IonicContact OD2-CZ 3.98Å; D322-R326 VanDerWaalsContact OD2-CZ 3.23Å; D322-R326 IonicContact OD2-NE 3.49Å; D322-R326 PolarHBondContact OD2-NE 3.47Å; D322-R326 VanDerWaalsContact OD2-NE 3.11Å; D322-R326 IonicContact OD2-NH2 3.9Å; D322-R326 PolarHBondContact OD2-NH2 3.42Å; L323-R326 PolarHBondContact O-N 3.5Å; M324-R326 PolarHBondContact O-N 3.5Å; R326-E329 PolarHBondContact O-N 3.3Å; R326-L330 WeakPolarHBondContact O-CB 3.3Å; R326-L330 WeakPolarHBondContact O-CG 3.22Å; R326-L330 PolarHBondContact O-N 3.17Å
327Q92.4Very high93.8Very high108 Ų108119.5 Ų119.551%0.50554%0.537SS..Hα-helixtrans-64.8-39.8173.8-79.3-174.8-20.900111.9L323 M324 R325 L330 R331L323-Q327 HydrophobicContact CD2-CG 4Å; L323-Q327 WeakPolarHBondContact O-CB 3.5Å; L323-Q327 WeakPolarHBondContact O-CG 3.49Å; L323-Q327 PolarHBondContact O-N 2.99Å; M324-Q327 PolarHBondContact O-N 2.92Å; R325-Q327 PolarHBondContact O-N 3.39Å; Q327-L330 PolarHBondContact O-N 3.4Å; Q327-R331 VanDerWaalsContact O-CB 3.29Å; Q327-R331 WeakPolarHBondContact O-CB 3.39Å; Q327-R331 PolarHBondContact O-N 3.42Å
328E93.6Very high93.7Very high102 Ų102118.2 Ų118.248%0.47753%0.532SS..Hα-helixtrans-68.5-39.4176.6-160-175.2160.500111.8M324 R325 R331 R332M324-E328 PolarHBondContact O-N 3.47Å; R325-E328 PolarHBondContact O-N 3.47Å; E328-R331 PolarHBondContact O-N 2.82Å; E328-R332 WeakPolarHBondContact O-CB 3.5Å; E328-R332 VanDerWaalsContact O-CG 3.22Å; E328-R332 WeakPolarHBondContact O-CG 3.34Å; E328-R332 PolarHBondContact O-N 2.9Å; E328-R332 IonicContact OE1-CZ 2.81Å; E328-R332 VanDerWaalsContact OE1-CZ 3.3Å; E328-R332 IonicContact OE1-NE 3.44Å; E328-R332 PolarHBondContact OE1-NE 3.12Å; E328-R332 IonicContact OE1-NH2 3.3Å; E328-R332 PolarHBondContact OE1-NH2 3.46Å
329E92.7Very high93.6Very high110 Ų110119.7 Ų119.751%0.51454%0.536SS..Hα-helixtrans-59.3-48.2172-74168.1-172.900112R325 R326 R332 L333R325-E329 WeakPolarHBondContact CG-OE1 3.45Å; R325-E329 WeakPolarHBondContact O-CG 3.29Å; R325-E329 PolarHBondContact O-N 3.48Å; R326-E329 PolarHBondContact O-N 3.3Å; E329-R332 PolarHBondContact O-N 2.91Å; E329-L333 PolarHBondContact O-N 3.05Å
330L93.8Very high93.4Very high106 Ų106118 Ų11856%0.55553%0.528SS*.Hα-helixtrans-61.1-45.6175.6-74.1171.2000111.8R326 Q327 R332 L333 E334R326-L330 WeakPolarHBondContact O-CB 3.3Å; R326-L330 WeakPolarHBondContact O-CG 3.22Å; R326-L330 PolarHBondContact O-N 3.17Å; Q327-L330 PolarHBondContact O-N 3.4Å; L330-R332 PolarHBondContact O-N 2.93Å; L330-L333 WeakPolarHBondContact O-CB 3.39Å; L330-L333 PolarHBondContact O-N 3.22Å; L330-L333 VanDerWaalsContact O-N 3.12Å; L330-E334 WeakPolarHBondContact O-CG 3.44Å; L330-E334 PolarHBondContact O-N 2.86Å
331R94.1Very high93.2Very high160 Ų160113.4 Ų113.460%0.60452%0.516SS*.Hα-helixtrans-61.1-43.4178.2-179.4178.5172.2162.23.3112Q327 E328 L333 E334 E335Q327-R331 VanDerWaalsContact O-CB 3.29Å; Q327-R331 WeakPolarHBondContact O-CB 3.39Å; Q327-R331 PolarHBondContact O-N 3.42Å; E328-R331 PolarHBondContact O-N 2.82Å; R331-L333 VanDerWaalsContact C-N 3.28Å; R331-L333 PolarHBondContact O-N 2.89Å; R331-E334 PolarHBondContact O-N 3.41Å; R331-E335 HydrophobicContact CG-CG 4.47Å; R331-E335 WeakPolarHBondContact CG-OE1 3.49Å; R331-E335 IonicContact CZ-OE1 2.62Å; R331-E335 IonicContact NE-OE1 3.9Å; R331-E335 PolarHBondContact NE-OE1 2.65Å; R331-E335 IonicContact NH2-OE1 3.66Å; R331-E335 PolarHBondContact NH2-OE1 3.23Å; R331-E335 WeakPolarHBondContact O-CB 3.36Å; R331-E335 WeakPolarHBondContact O-CG 3.3Å; R331-E335 PolarHBondContact O-N 2.99Å
332R93.4Very high93Very high145 Ų145112.2 Ų112.255%0.54751%0.51SS..Hα-helixtrans-60.7-38.8174.6-71.8168.2-177.7-157.1-1.2111.3E328 E329 L330 L336E328-R332 WeakPolarHBondContact O-CB 3.5Å; E328-R332 VanDerWaalsContact O-CG 3.22Å; E328-R332 WeakPolarHBondContact O-CG 3.34Å; E328-R332 PolarHBondContact O-N 2.9Å; E328-R332 IonicContact OE1-CZ 2.81Å; E328-R332 VanDerWaalsContact OE1-CZ 3.3Å; E328-R332 IonicContact OE1-NE 3.44Å; E328-R332 PolarHBondContact OE1-NE 3.12Å; E328-R332 IonicContact OE1-NH2 3.3Å; E328-R332 PolarHBondContact OE1-NH2 3.46Å; E329-R332 PolarHBondContact O-N 2.91Å; L330-R332 PolarHBondContact O-N 2.93Å; R332-L336 WeakPolarHBondContact O-CB 3.49Å; R332-L336 VanDerWaalsContact O-CG 3.3Å; R332-L336 WeakPolarHBondContact O-CG 3.4Å; R332-L336 PolarHBondContact O-N 3.27Å
333L93.9Very high92.9Very high115 Ų115118 Ų11860%0.60253%0.529SS*.Hα-helixtrans-68.4-38.8177.1-163.870.9000112.3E329 L330 R331 R337E329-L333 PolarHBondContact O-N 3.05Å; L330-L333 WeakPolarHBondContact O-CB 3.39Å; L330-L333 PolarHBondContact O-N 3.22Å; L330-L333 VanDerWaalsContact O-N 3.12Å; R331-L333 VanDerWaalsContact C-N 3.28Å; R331-L333 PolarHBondContact O-N 2.89Å; L333-R337 WeakPolarHBondContact O-CB 3.45Å; L333-R337 PolarHBondContact O-N 2.96Å
334E91.8Very high92.5Very high131 Ų131120.7 Ų120.761%0.61253%0.532SS*.Hα-helixtrans-67.1-42.5173.3-72.9-178169.600112.4L330 R331 R337 N338L330-E334 WeakPolarHBondContact O-CG 3.44Å; L330-E334 PolarHBondContact O-N 2.86Å; R331-E334 PolarHBondContact O-N 3.41Å; E334-R337 PolarHBondContact O-N 3.48Å; E334-N338 WeakPolarHBondContact O-CB 3.36Å; E334-N338 PolarHBondContact O-N 2.84Å
335E93.1Very high92.4Very high87 Ų87122.1 Ų122.141%0.40754%0.535SS..Hα-helixtrans-61.7-43.5175.4-74.9174.5-170.700111R331 N338 Q339R331-E335 HydrophobicContact CG-CG 4.47Å; R331-E335 WeakPolarHBondContact CG-OE1 3.49Å; R331-E335 IonicContact CZ-OE1 2.62Å; R331-E335 IonicContact NE-OE1 3.9Å; R331-E335 PolarHBondContact NE-OE1 2.65Å; R331-E335 IonicContact NH2-OE1 3.66Å; R331-E335 PolarHBondContact NH2-OE1 3.23Å; R331-E335 WeakPolarHBondContact O-CB 3.36Å; R331-E335 WeakPolarHBondContact O-CG 3.3Å; R331-E335 PolarHBondContact O-N 2.99Å; E335-N338 PolarHBondContact O-N 3.01Å; E335-Q339 VanDerWaalsContact O-CG 3.3Å; E335-Q339 WeakPolarHBondContact O-CG 3.37Å; E335-Q339 PolarHBondContact O-N 2.9Å
336L92.5Very high92.1Very high104 Ų104120.2 Ų120.255%0.54553%0.533SS..Hα-helixtrans-60.7-45.6172.2-76.4167.1000112.5R332 N338 Q339 E340R332-L336 WeakPolarHBondContact O-CB 3.49Å; R332-L336 VanDerWaalsContact O-CG 3.3Å; R332-L336 WeakPolarHBondContact O-CG 3.4Å; R332-L336 PolarHBondContact O-N 3.27Å; L336-N338 VanDerWaalsContact C-N 3.3Å; L336-N338 PolarHBondContact O-N 3.49Å; L336-Q339 PolarHBondContact O-N 2.88Å; L336-E340 PolarHBondContact O-N 3.28Å
337R91.1Very high91.8Very high182 Ų182117.5 Ų117.569%0.68753%0.528SS*.Hα-helixtrans-61.3-38.7176.3-179.2-177.1174.3-159.6-1.4111.8L333 E334 E340 L341L333-R337 WeakPolarHBondContact O-CB 3.45Å; L333-R337 PolarHBondContact O-N 2.96Å; E334-R337 PolarHBondContact O-N 3.48Å; R337-E340 PolarHBondContact O-N 3.41Å; R337-L341 HydrophobicContact CG-CD1 4.45Å; R337-L341 WeakPolarHBondContact O-CG 3.3Å; R337-L341 PolarHBondContact O-N 3.3Å
338N92.9Very high91.5Very high87 Ų87118.7 Ų118.747%0.46553%0.534SS..Hα-helixtrans-72.4-39.2179.1-16526.3000111.8E334 E335 L336 E340 L341 Q342E334-N338 WeakPolarHBondContact O-CB 3.36Å; E334-N338 PolarHBondContact O-N 2.84Å; E335-N338 PolarHBondContact O-N 3.01Å; L336-N338 VanDerWaalsContact C-N 3.3Å; L336-N338 PolarHBondContact O-N 3.49Å; N338-E340 VanDerWaalsContact C-N 3.34Å; N338-E340 PolarHBondContact O-N 3.26Å; N338-L341 PolarHBondContact O-N 2.98Å; N338-Q342 WeakPolarHBondContact O-CG 3.37Å; N338-Q342 PolarHBondContact O-N 3.36Å
339Q93Very high91.1Very high117 Ų117119.5 Ų119.555%0.54754%0.539SS..Hα-helixtrans-59.5-43.4171.1-73.2173.32700111.5E335 L336 Q342 R343E335-Q339 VanDerWaalsContact O-CG 3.3Å; E335-Q339 WeakPolarHBondContact O-CG 3.37Å; E335-Q339 PolarHBondContact O-N 2.9Å; L336-Q339 PolarHBondContact O-N 2.88Å; Q339-Q342 PolarHBondContact O-N 2.9Å; Q339-R343 WeakPolarHBondContact O-CB 3.44Å; Q339-R343 PolarHBondContact O-N 3.3Å
340E89.5Confident90.8Very high81 Ų81122.2 Ų122.238%0.37954%0.544SS..Hα-helixtrans-63.2-41.8175.5174.659.2-167.400112L336 R337 N338 R343 R344L336-E340 PolarHBondContact O-N 3.28Å; R337-E340 PolarHBondContact O-N 3.41Å; N338-E340 VanDerWaalsContact C-N 3.34Å; N338-E340 PolarHBondContact O-N 3.26Å; E340-R343 WeakPolarHBondContact O-CB 3.41Å; E340-R343 PolarHBondContact O-N 3.04Å; E340-R344 WeakPolarHBondContact O-CG 3.5Å; E340-R344 PolarHBondContact O-N 3.45Å; E340-R344 IonicContact OE1-CZ 3.61Å; E340-R344 VanDerWaalsContact OE1-CZ 3.28Å; E340-R344 IonicContact OE1-NE 3.74Å; E340-R344 PolarHBondContact OE1-NE 2.89Å; E340-R344 IonicContact OE1-NH2 3.9Å; E340-R344 PolarHBondContact OE1-NH2 3.31Å
341L91.6Very high90.5Very high83 Ų83122.8 Ų122.844%0.43554%0.544SS..Hα-helixtrans-63-41.8173.5-74.7168.9000112.5R337 N338 R344 K345R337-L341 HydrophobicContact CG-CD1 4.45Å; R337-L341 WeakPolarHBondContact O-CG 3.3Å; R337-L341 PolarHBondContact O-N 3.3Å; N338-L341 PolarHBondContact O-N 2.98Å; L341-R344 PolarHBondContact O-N 2.94Å; L341-K345 WeakPolarHBondContact O-CG 3.35Å; L341-K345 PolarHBondContact O-N 2.81Å
342Q90.3Very high90.2Very high104 Ų104119.7 Ų119.749%0.48654%0.536SS..Hα-helixtrans-64.8-40.8174.6-73.2179.2-2.300111.6N338 Q339 K345 Q346N338-Q342 WeakPolarHBondContact O-CG 3.37Å; N338-Q342 PolarHBondContact O-N 3.36Å; Q339-Q342 PolarHBondContact O-N 2.9Å; Q342-K345 PolarHBondContact O-N 3.3Å; Q342-Q346 WeakPolarHBondContact O-CG 3.34Å; Q342-Q346 PolarHBondContact O-N 2.75Å
343R92.1Very high89.8Confident166 Ų166119.4 Ų119.463%0.62654%0.541SS*.Hα-helixtrans-60.9-44.6176.1-163.7-172.5-163.4110.23.2111.4Q339 E340 Q346 I347Q339-R343 WeakPolarHBondContact O-CB 3.44Å; Q339-R343 PolarHBondContact O-N 3.3Å; E340-R343 WeakPolarHBondContact O-CB 3.41Å; E340-R343 PolarHBondContact O-N 3.04Å; R343-Q346 PolarHBondContact O-N 3.49Å; R343-I347 HydrophobicContact CG-CD1 4.25Å; R343-I347 WeakPolarHBondContact O-CG1 3.45Å; R343-I347 PolarHBondContact O-N 3.18Å
344R88.8Confident89.2Confident153 Ų153118.4 Ų118.458%0.57753%0.533SS*.Hα-helixtrans-59.5-48.4174.1-72.5174.6-172.5-150.7-1.2111.8E340 L341 Q346 I347 E348E340-R344 WeakPolarHBondContact O-CG 3.5Å; E340-R344 PolarHBondContact O-N 3.45Å; E340-R344 IonicContact OE1-CZ 3.61Å; E340-R344 VanDerWaalsContact OE1-CZ 3.28Å; E340-R344 IonicContact OE1-NE 3.74Å; E340-R344 PolarHBondContact OE1-NE 2.89Å; E340-R344 IonicContact OE1-NH2 3.9Å; E340-R344 PolarHBondContact OE1-NH2 3.31Å; L341-R344 PolarHBondContact O-N 2.94Å; R344-Q346 VanDerWaalsContact C-N 3.32Å; R344-Q346 PolarHBondContact O-N 3.32Å; R344-I347 PolarHBondContact O-N 2.83Å; R344-E348 WeakPolarHBondContact O-CB 3.28Å; R344-E348 PolarHBondContact O-N 3.03Å
345K91.3Very high88.9Confident136 Ų136119.7 Ų119.759%0.59153%0.533SS*.Hα-helixtrans-60.8-36.9175.7-72.7-177.5177.1-171.10113L341 Q342 E348 M349L341-K345 WeakPolarHBondContact O-CG 3.35Å; L341-K345 PolarHBondContact O-N 2.81Å; Q342-K345 PolarHBondContact O-N 3.3Å; K345-E348 PolarHBondContact O-N 2.96Å; K345-M349 WeakPolarHBondContact O-CB 3.47Å; K345-M349 WeakPolarHBondContact O-CG 3.38Å; K345-M349 PolarHBondContact O-N 3.2Å
346Q88Confident88.4Confident104 Ų104122.4 Ų122.449%0.48654%0.539SS..Hα-helixtrans-67.9-39.8174.6-74.8-179.77.900112.4Q342 R343 R344 R350Q342-Q346 WeakPolarHBondContact O-CG 3.34Å; Q342-Q346 PolarHBondContact O-N 2.75Å; R343-Q346 PolarHBondContact O-N 3.49Å; R344-Q346 VanDerWaalsContact C-N 3.32Å; R344-Q346 PolarHBondContact O-N 3.32Å; Q346-R350 WeakPolarHBondContact O-CB 3.38Å; Q346-R350 VanDerWaalsContact O-CG 3.28Å; Q346-R350 WeakPolarHBondContact O-CG 3.39Å; Q346-R350 PolarHBondContact O-N 2.85Å
347I88.1Confident88Confident87 Ų87125.1 Ų125.145%0.44654%0.542SS..Hα-helixtrans-64.3-44.3174.2-70.8160.2000110.3R343 R344 R350 H351R343-I347 HydrophobicContact CG-CD1 4.25Å; R343-I347 WeakPolarHBondContact O-CG1 3.45Å; R343-I347 PolarHBondContact O-N 3.18Å; R344-I347 PolarHBondContact O-N 2.83Å; I347-R350 PolarHBondContact O-N 3.38Å; I347-H351 PolarHBondContact O-CD2 2.89Å; I347-H351 VanDerWaalsContact O-CD2 3.31Å; I347-H351 PolarHBondContact O-N 2.82Å
348E85.6Confident87.6Confident132 Ų132123.3 Ų123.362%0.61754%0.535SS*.Hα-helixtrans-61.3-49.6177-174.5172.4-154.700111.9R344 K345 R350 H351 E352R344-E348 WeakPolarHBondContact O-CB 3.28Å; R344-E348 PolarHBondContact O-N 3.03Å; K345-E348 PolarHBondContact O-N 2.96Å; E348-R350 VanDerWaalsContact C-N 3.33Å; E348-R350 PolarHBondContact O-N 3.29Å; E348-H351 PolarHBondContact O-N 3.26Å; E348-H351 VanDerWaalsContact O-N 3.14Å; E348-E352 PolarHBondContact O-N 3.3Å
349M85.6Confident87Confident120 Ų120123.1 Ų123.159%0.59153%0.532SS*.Hα-helixtrans-60.3-39.2175.1-75-165.4-54.600112.5K345 E352 E353K345-M349 WeakPolarHBondContact O-CB 3.47Å; K345-M349 WeakPolarHBondContact O-CG 3.38Å; K345-M349 PolarHBondContact O-N 3.2Å; M349-E352 PolarHBondContact O-N 2.95Å; M349-E353 VanDerWaalsContact O-CB 3.28Å; M349-E353 WeakPolarHBondContact O-CB 3.28Å; M349-E353 PolarHBondContact O-N 3.31Å
350R86.1Confident86.4Confident167 Ų167123 Ų12363%0.6353%0.531SS*.Hα-helixtrans-64.3-39.4174.7-75.8176.1-175.2-168.42.8112.2Q346 I347 E348 E353 E354Q346-R350 WeakPolarHBondContact O-CB 3.38Å; Q346-R350 VanDerWaalsContact O-CG 3.28Å; Q346-R350 WeakPolarHBondContact O-CG 3.39Å; Q346-R350 PolarHBondContact O-N 2.85Å; I347-R350 PolarHBondContact O-N 3.38Å; E348-R350 VanDerWaalsContact C-N 3.33Å; E348-R350 PolarHBondContact O-N 3.29Å; R350-E353 PolarHBondContact O-N 3.48Å; R350-E354 WeakPolarHBondContact O-CB 3.48Å; R350-E354 WeakPolarHBondContact O-CG 3.39Å; R350-E354 PolarHBondContact O-N 2.77Å
351H88.4Confident85.9Confident117 Ų117124.1 Ų124.154%0.54254%0.536SS..Hα-helixtrans-67.9-36.9174.3-84.5-62.2000112.5I347 E348 R355I347-H351 PolarHBondContact O-CD2 2.89Å; I347-H351 VanDerWaalsContact O-CD2 3.31Å; I347-H351 PolarHBondContact O-N 2.82Å; E348-H351 PolarHBondContact O-N 3.26Å; E348-H351 VanDerWaalsContact O-N 3.14Å; H351-R355 VanDerWaalsContact O-CB 3.22Å; H351-R355 WeakPolarHBondContact O-CB 3.49Å; H351-R355 PolarHBondContact O-N 2.86Å
352E87Confident85.2Confident96 Ų96126.2 Ų126.245%0.44955%0.546SS..Hα-helixtrans-67.8-41.1173.9-164.3-173.2163.600111.5E348 M349 R355 R356E348-E352 PolarHBondContact O-N 3.3Å; M349-E352 PolarHBondContact O-N 2.95Å; E352-R355 WeakPolarHBondContact O-CB 3.22Å; E352-R355 PolarHBondContact O-N 3.14Å; E352-R356 WeakPolarHBondContact O-CG 3.41Å; E352-R356 PolarHBondContact O-N 2.96Å; E352-R356 IonicContact OE1-CZ 3.2Å; E352-R356 IonicContact OE1-NE 3.6Å; E352-R356 PolarHBondContact OE1-NE 3.38Å; E352-R356 IonicContact OE1-NH2 2.77Å; E352-R356 PolarHBondContact OE1-NH2 3.33Å
353E84.2Confident84.3Confident139 Ų139126.6 Ų126.665%0.6555%0.549SS*.Hα-helixtrans-65.6-45176-172.1177.2-163.900111.8M349 R350 R355 R356 R357M349-E353 VanDerWaalsContact O-CB 3.28Å; M349-E353 WeakPolarHBondContact O-CB 3.28Å; M349-E353 PolarHBondContact O-N 3.31Å; R350-E353 PolarHBondContact O-N 3.48Å; E353-R355 VanDerWaalsContact C-N 3.28Å; E353-R355 PolarHBondContact O-N 2.79Å; E353-R356 PolarHBondContact O-N 2.89Å; E353-R357 VanDerWaalsContact O-CB 3.29Å; E353-R357 WeakPolarHBondContact O-CB 3.48Å; E353-R357 PolarHBondContact O-N 3.4Å
354E82.3Confident83.3Confident93 Ų93127 Ų12744%0.43555%0.55SS.*Hα-helixtrans-58.6-40.8170.6-83.5-169-171.500111.9R350 R357 R358R350-E354 WeakPolarHBondContact O-CB 3.48Å; R350-E354 WeakPolarHBondContact O-CG 3.39Å; R350-E354 PolarHBondContact O-N 2.77Å; E354-R357 PolarHBondContact O-N 2.99Å; E354-R358 VanDerWaalsContact O-CG 3.31Å; E354-R358 WeakPolarHBondContact O-CG 3.39Å; E354-R358 PolarHBondContact O-N 2.82Å; E354-R358 IonicContact OE2-CZ 2.72Å; E354-R358 IonicContact OE2-NH1 3.36Å; E354-R358 IonicContact OE2-NH2 3.95Å; E354-R358 PolarHBondContact OE2-NH2 2.87Å
355R84.9Confident82.5Confident159 Ų159125.2 Ų125.260%0.655%0.548SS*.Hα-helixtrans-66-49.4178.9179.6-179.5170.3177.2-1.5111.1H351 E352 E353 R357 R358 E359H351-R355 VanDerWaalsContact O-CB 3.22Å; H351-R355 WeakPolarHBondContact O-CB 3.49Å; H351-R355 PolarHBondContact O-N 2.86Å; E352-R355 WeakPolarHBondContact O-CB 3.22Å; E352-R355 PolarHBondContact O-N 3.14Å; E353-R355 VanDerWaalsContact C-N 3.28Å; E353-R355 PolarHBondContact O-N 2.79Å; R355-R357 VanDerWaalsContact C-N 3.29Å; R355-R357 PolarHBondContact O-N 2.72Å; R355-R358 PolarHBondContact O-N 3.13Å; R355-E359 WeakPolarHBondContact CG-OE1 3.39Å; R355-E359 IonicContact CZ-OE1 3.22Å; R355-E359 IonicContact NE-OE1 3.53Å; R355-E359 PolarHBondContact NE-OE1 3.4Å; R355-E359 IonicContact NH2-OE1 2.62Å; R355-E359 PolarHBondContact NH2-OE1 3.48Å; R355-E359 WeakPolarHBondContact O-CG 3.38Å; R355-E359 PolarHBondContact O-N 3.42Å
356R84.1Confident81.5Confident144 Ų144126.3 Ų126.354%0.54355%0.549SS..Hα-helixtrans-57-44.3174.9-74.6-178.6-173.1-148.74.7111.1E352 E353 R358 E359 E360E352-R356 WeakPolarHBondContact O-CG 3.41Å; E352-R356 PolarHBondContact O-N 2.96Å; E352-R356 IonicContact OE1-CZ 3.2Å; E352-R356 IonicContact OE1-NE 3.6Å; E352-R356 PolarHBondContact OE1-NE 3.38Å; E352-R356 IonicContact OE1-NH2 2.77Å; E352-R356 PolarHBondContact OE1-NH2 3.33Å; E353-R356 PolarHBondContact O-N 2.89Å; R356-R358 PolarHBondContact O-N 3.41Å; R356-E359 CarbonylContact O-C 3.52Å; R356-E359 WeakPolarHBondContact O-CB 3.29Å; R356-E359 PolarHBondContact O-N 3.18Å; R356-E359 VanDerWaalsContact O-N 3.13Å; R356-E360 WeakPolarHBondContact O-CG 3.5Å; R356-E360 PolarHBondContact O-N 2.91Å
357R83.6Confident80.3Confident161 Ų161126.6 Ų126.661%0.60855%0.55SS*.Hα-helixtrans-62.4-39.2177.8-172.3176.5170.6-179.42.6112.8E353 E354 R355 E360 E361E353-R357 VanDerWaalsContact O-CB 3.29Å; E353-R357 WeakPolarHBondContact O-CB 3.48Å; E353-R357 PolarHBondContact O-N 3.4Å; E354-R357 PolarHBondContact O-N 2.99Å; R355-R357 VanDerWaalsContact C-N 3.29Å; R355-R357 PolarHBondContact O-N 2.72Å; R357-E360 PolarHBondContact O-N 2.91Å; R357-E361 IonicContact NE-OE1 2.7Å; R357-E361 PolarHBondContact NE-OE1 3.3Å; R357-E361 IonicContact NH2-OE1 3.92Å; R357-E361 WeakPolarHBondContact O-CB 3.31Å; R357-E361 WeakPolarHBondContact O-CG 3.41Å; R357-E361 PolarHBondContact O-N 3.42Å
358R81.6Confident79Confident144 Ų144129.1 Ų129.154%0.54356%0.56SS.*Hα-helixtrans-67.8-35.9172.7-71.3173.3-168.7148.815.8112.5E354 R355 R356 M362E354-R358 VanDerWaalsContact O-CG 3.31Å; E354-R358 WeakPolarHBondContact O-CG 3.39Å; E354-R358 PolarHBondContact O-N 2.82Å; E354-R358 IonicContact OE2-CZ 2.72Å; E354-R358 IonicContact OE2-NH1 3.36Å; E354-R358 IonicContact OE2-NH2 3.95Å; E354-R358 PolarHBondContact OE2-NH2 2.87Å; R355-R358 PolarHBondContact O-N 3.13Å; R356-R358 PolarHBondContact O-N 3.41Å; R358-M362 PolarHBondContact O-N 2.92Å
359E80.8Confident77.8Confident82 Ų82126.4 Ų126.438%0.38355%0.55SS..Hα-helixtrans-67.6-40.6174.1-71.4170.9-177.600111.1R355 R356 M362 M363R355-E359 WeakPolarHBondContact CG-OE1 3.39Å; R355-E359 IonicContact CZ-OE1 3.22Å; R355-E359 IonicContact NE-OE1 3.53Å; R355-E359 PolarHBondContact NE-OE1 3.4Å; R355-E359 IonicContact NH2-OE1 2.62Å; R355-E359 PolarHBondContact NH2-OE1 3.48Å; R355-E359 WeakPolarHBondContact O-CG 3.38Å; R355-E359 PolarHBondContact O-N 3.42Å; R356-E359 CarbonylContact O-C 3.52Å; R356-E359 WeakPolarHBondContact O-CB 3.29Å; R356-E359 PolarHBondContact O-N 3.18Å; R356-E359 VanDerWaalsContact O-N 3.13Å; E359-M362 PolarHBondContact O-N 2.88Å; E359-M363 WeakPolarHBondContact O-CG 3.34Å; E359-M363 PolarHBondContact O-N 3.36Å
360E81.2Confident76.3Confident116 Ų116126.3 Ų126.354%0.54255%0.548SS..Hα-helixtrans-65.1-41.3172-74176.8-164.100112.9R356 R357 M363 R364R356-E360 WeakPolarHBondContact O-CG 3.5Å; R356-E360 PolarHBondContact O-N 2.91Å; R357-E360 PolarHBondContact O-N 2.91Å; E360-M363 PolarHBondContact O-N 2.94Å; E360-R364 WeakPolarHBondContact O-CG 3.41Å; E360-R364 PolarHBondContact O-N 3.46Å
361E77.9Confident74.9Confident104 Ų104125.3 Ų125.349%0.48655%0.554SS.*Hα-helixtrans-64.8-39.5175-77.7171.9-174.400111.5R357 R364 H365R357-E361 IonicContact NE-OE1 2.7Å; R357-E361 PolarHBondContact NE-OE1 3.3Å; R357-E361 IonicContact NH2-OE1 3.92Å; R357-E361 WeakPolarHBondContact O-CB 3.31Å; R357-E361 WeakPolarHBondContact O-CG 3.41Å; R357-E361 PolarHBondContact O-N 3.42Å; E361-R364 PolarHBondContact O-N 3.29Å; E361-H365 PolarHBondContact O-N 2.96Å
362M77.3Confident73.4Confident127 Ų127129.8 Ų129.863%0.62657%0.566SS**Hα-helixtrans-65.8-39.2171.2-81.1-168.1-69.600112.9R358 E359 H365 R366R358-M362 PolarHBondContact O-N 2.92Å; E359-M362 PolarHBondContact O-N 2.88Å; M362-H365 PolarHBondContact O-N 2.99Å; M362-R366 WeakPolarHBondContact O-CB 3.46Å; M362-R366 PolarHBondContact O-N 2.89Å
363M71.9Confident71.8Confident112 Ų112135.8 Ų135.855%0.55259%0.585SS**Hα-helixtrans-63.2-44.1175.1-78.1-68.6-69.800111.6E359 E360 H365 R366 E367E359-M363 WeakPolarHBondContact O-CG 3.34Å; E359-M363 PolarHBondContact O-N 3.36Å; E360-M363 PolarHBondContact O-N 2.94Å; M363-H365 VanDerWaalsContact C-N 3.34Å; M363-H365 PolarHBondContact O-N 3.14Å; M363-R366 WeakPolarHBondContact O-CB 3.29Å; M363-R366 PolarHBondContact O-N 3.43Å; M363-R366 VanDerWaalsContact O-N 3.14Å; M363-E367 PolarHBondContact O-N 2.98Å
364R71.4Confident69.7Low174 Ų174137.6 Ų137.666%0.65759%0.593SS**Hα-helixtrans-61.9-38.4174.4-73.8173.5178.7-98.41.2112.6E360 E361 R366 Q368E360-R364 WeakPolarHBondContact O-CG 3.41Å; E360-R364 PolarHBondContact O-N 3.46Å; E361-R364 PolarHBondContact O-N 3.29Å; R364-R366 VanDerWaalsContact C-N 3.34Å; R364-Q368 VanDerWaalsContact O-CB 3.29Å; R364-Q368 WeakPolarHBondContact O-CB 3.47Å; R364-Q368 PolarHBondContact O-N 3.44Å
365H71.5Confident67.9Low115 Ų115139 Ų13953%0.53261%0.61SS.*Hα-helixtrans-64.2-40.7173.7-168.9-61000111.4E361 M362 M363 Q368 D369E361-H365 PolarHBondContact O-N 2.96Å; M362-H365 PolarHBondContact O-N 2.99Å; M363-H365 VanDerWaalsContact C-N 3.34Å; M363-H365 PolarHBondContact O-N 3.14Å; H365-Q368 PolarHBondContact O-N 3.34Å; H365-D369 IonicContact CE1-OD2 3.1Å; H365-D369 PolarHBondContact CE1-OD2 3Å; H365-D369 IonicContact ND1-OD2 3Å; H365-D369 PolarHBondContact ND1-OD2 3.1Å; H365-D369 PolarHBondContact O-N 3.25Å
366R69.3Low65.5Low160 Ų160139.7 Ų139.760%0.60463%0.626SS**Hα-helixtrans-66.2-44.1177.8-173.4177.7179.7164.22.2112.5M362 M363 R364 Q368 D369 E370M362-R366 WeakPolarHBondContact O-CB 3.46Å; M362-R366 PolarHBondContact O-N 2.89Å; M363-R366 WeakPolarHBondContact O-CB 3.29Å; M363-R366 PolarHBondContact O-N 3.43Å; M363-R366 VanDerWaalsContact O-N 3.14Å; R364-R366 VanDerWaalsContact C-N 3.34Å; R366-Q368 VanDerWaalsContact C-N 3.29Å; R366-Q368 PolarHBondContact O-N 3.01Å; R366-D369 PolarHBondContact O-N 3Å; R366-E370 PolarHBondContact O-N 3.48Å
367E63.6Low63.1Low109 Ų109136.5 Ų136.551%0.50964%0.638SS.*Hα-helixtrans-59.8-40171.9-72.8-178.7138.200111.3M363 E370 L371M363-E367 PolarHBondContact O-N 2.98Å; E367-E370 PolarHBondContact O-N 2.95Å; E367-L371 WeakPolarHBondContact O-CD1 3.17Å; E367-L371 PolarHBondContact O-N 3.33Å
368Q61.5Low60.9Low140 Ų140133 Ų13365%0.65465%0.652SS**Hα-helixtrans-69-31.9178.7-170.5165.690.600113.1R364 H365 R366 R372R364-Q368 VanDerWaalsContact O-CB 3.29Å; R364-Q368 WeakPolarHBondContact O-CB 3.47Å; R364-Q368 PolarHBondContact O-N 3.44Å; H365-Q368 PolarHBondContact O-N 3.34Å; R366-Q368 VanDerWaalsContact C-N 3.29Å; R366-Q368 PolarHBondContact O-N 3.01Å; Q368-R372 PolarHBondContact O-N 3.2Å
369D58.8Low58.5Low76 Ų76129.9 Ų129.941%0.40667%0.665SS.*Hα-helixtrans-73.3-33.4169.9-81.2-36.7000112.8H365 R366 R372H365-D369 IonicContact CE1-OD2 3.1Å; H365-D369 PolarHBondContact CE1-OD2 3Å; H365-D369 IonicContact ND1-OD2 3Å; H365-D369 PolarHBondContact ND1-OD2 3.1Å; H365-D369 PolarHBondContact O-N 3.25Å; R366-D369 PolarHBondContact O-N 3Å; D369-R372 WeakPolarHBondContact O-CB 3.42Å; D369-R372 PolarHBondContact O-N 3.31Å
370E55.9Low56.3Low118 Ų118129.6 Ų129.655%0.55168%0.683SS**Hα-helixtrans-69.2-41.1172.7-78179.7174.500111.9R366 E367 R372 R373R366-E370 PolarHBondContact O-N 3.48Å; E367-E370 PolarHBondContact O-N 2.95Å; E370-R372 PolarHBondContact O-N 3.29Å; E370-R373 PolarHBondContact O-N 2.86Å
371L55.2Low54.2Low145 Ų145130.3 Ų130.376%0.75970%0.701SS**Hα-helixtrans-61.8-22.5171.6-95.185.1000113E367 R373E367-L371 WeakPolarHBondContact O-CD1 3.17Å; E367-L371 PolarHBondContact O-N 3.33Å; L371-R373 PolarHBondContact O-N 3.42Å
372R56.9Low52.1Low212 Ų212129 Ų12980%0.872%0.716SS**THydrogen-bonded Turntrans-77.4-3.1173.1-104.3177.3165.3176-3.5114.3Q368 D369 E370Q368-R372 PolarHBondContact O-N 3.2Å; D369-R372 WeakPolarHBondContact O-CB 3.42Å; D369-R372 PolarHBondContact O-N 3.31Å; E370-R372 PolarHBondContact O-N 3.29Å
373R53.5Low49.8Very low222 Ų222132.1 Ų132.184%0.83873%0.727SS**THydrogen-bonded Turntrans-11715.1-174.8-76.7-169.5171.3-132.31.5115.7E370 L371E370-R373 PolarHBondContact O-N 2.86Å; L371-R373 PolarHBondContact O-N 3.42Å
374Q41Very low48.5Very low176 Ų176132.9 Ų132.982%0.82274%0.737SS**  trans-111.3117.6170.3-74.7-170.211.200112.7
375P43.3Very low47.4Very low122 Ų122129.1 Ų129.179%0.79274%0.735SS**  trans-88.6156.515634.9-30.2000111.8
376D35.4Very low45.4Very low174 Ų174130.1 Ų130.193%0.9375%0.745SS**  trans-43.9154.8177.4-81.6-81.8000117.7
377G34.3Very low43.7Very low77 Ų77131.6 Ų131.679%0.79475%0.751SS**  trans160.580.315900000114.9
378G35.9Very low42.4Very low88 Ų88133.4 Ų133.491%0.90776%0.76SS**  trans-71.6149.3172.100000113
379G31.9Very low40.9Very low79 Ų79133.4 Ų133.481%0.81476%0.76SS**  trans173.3109.3172.900000116
380G34.2Very low39.5Very low75 Ų75135.8 Ų135.877%0.77377%0.772SS**  trans70.1110.7137.400000121.1
381S36.4Very low38.4Very low131 Ų131139.1 Ų139.192%0.91678%0.78SS**  47.5114.6119.9170.60000119.8
382G34.7Very low37.2Very low78 Ų78138.4 Ų138.480%0.80477%0.772SS**  trans-156.757.3175.400000117
383F29.3Very low36.1Very low192 Ų192136.2 Ų136.284%0.84277%0.771SS**  trans15.8125.7151.9-157.1-105.3000121.9P385F383-P385 HydrophobicContact CE1-CG 4.35Å
384V44.1Very low35.1Very low127 Ų127134.5 Ų134.577%0.7777%0.773SS**  trans-83.1139.2169.1171.10000110.4
385P48.4Very low34.8Very low95 Ų95133.8 Ų133.862%0.61777%0.771SS**  -154.8171.3100.140.1-19.1000114.9F383F383-P385 HydrophobicContact CE1-CG 4.35Å
386N30.7Very low35Very low137 Ų137139.4 Ų139.473%0.73378%0.777SS**  cis-171.2133.944.9-157.231.2000114
387Y32.6Very low35.1Very low190 Ų190137.6 Ų137.675%0.74577%0.772SS**  trans28.7153.7141.2-84.3-100.1000127
388H35.5Very low35.1Very low148 Ų148137.1 Ų137.169%0.68577%0.767SS**  trans84137.3157.7-72.3-76.1000119.3
389E31.4Very low35Very low140 Ų140141.7 Ų141.765%0.65477%0.765SS**  cis-168.3163.2-20.3-156.6171.8-17500111.1
390N29.7Very low35.4Very low125 Ų125146 Ų14667%0.66877%0.768SS**  trans69.4152.6161.7-70.9-45.1000118.6
391R31.2Very low35.5Very low189 Ų189145.6 Ų145.671%0.71376%0.764SS**  cis-170.9129.8-28.5179.8163.7178.6161.72.5108.5
392E31.2Very low36.1Very low129 Ų129145.7 Ų145.760%0.60376%0.761SS**  trans65.3156.3160.5-73.3167.2-153.700120.5
393Q32.9Very low36.2Very low166 Ų166154.1 Ų154.178%0.77677%0.769SS**  trans75.781.3157-71.3158.943.300120.1
394E33.7Very low36.3Very low186 Ų186148.9 Ų148.987%0.86977%0.769SS**  0.7116124.2-174.4178.1-149.200118
395M34.8Very low36Very low161 Ų161148.1 Ų148.179%0.79378%0.776SS**  trans-171.9126.7143.1-103.5-178.3-7100106.4
396R45.6Very low35.3Very low241 Ų241147.5 Ų147.591%0.90979%0.787SS**  52.976.258.4-154.2-179.5-164.5173.85.7113
397V38Very low35.5Very low136 Ų136148.6 Ų148.682%0.82479%0.793SS**  trans-122.9135.4161.4-177.70000106.4
398G34.3Very low36Very low66 Ų66148.9 Ų148.968%0.6880%0.803SS**  cis134.778.28.600000109
399E35.3Very low35.9Very low185 Ų185144.8 Ų144.886%0.86480%0.801SS**  trans-56.8131.5159.9176.6-174.517100109.2
400L38.6Very low36.1Very low168 Ų168146.7 Ų146.788%0.8882%0.816SS**  trans171135.6143.5-96.4161000113.6
401G37.8Very low36.2Very low67 Ų67143.9 Ų143.969%0.69182%0.816SS**  trans83.3154.3153.700000116.4
402P48.7Very low36.4Very low134 Ų134144.5 Ų144.587%0.8782%0.824SS**  -132.8154.95837.1-23.8000116.2
403R36Very low36.6Very low255 Ų255145.5 Ų145.596%0.96283%0.834SS**  trans-132.3130.6155.4-115.3-172.9170.4-174-3107.8
404G32.2Very low36.9Very low81 Ų81146.9 Ų146.984%0.83584%0.841SS**  trans-166.9115.6176.200000110.3
405A37.3Very low37Very low112 Ų112142.3 Ų142.393%0.92684%0.835SS**  trans-86.1147.717400000110.3
406G33.2Very low37.2Very low81 Ų81140.3 Ų140.384%0.83584%0.836SS**  trans-147.9138.7175.400000109.9
407N35.7Very low36.6Very low161 Ų161132.7 Ų132.786%0.86183%0.833SS**  trans-117.5123.1-160174.881.7000112.5
408M41.9Very low36.4Very low195 Ų195129.8 Ų129.896%0.96183%0.83SS**  trans-174.2143.8165.8-100.3167.2176.600106.5
409G35.1Very low37.4Very low63 Ų63132.4 Ų132.465%0.64984%0.835SS**  cis148.4120.61.800000108.8
410D34.9Very low37.6Very low179 Ų179129.8 Ų129.896%0.95783%0.832SS**  trans63.7147.1179.2-53.1-44.1000117.5
411G32.8Very low37.4Very low66 Ų66125 Ų12568%0.6882%0.823SS**  cis176.9167.7-6.500000112.3
412F34.5Very low37.3Very low202 Ų202129.2 Ų129.289%0.88683%0.83SS**  trans81.4100.9170.5-79.2-92.3000122.8
413N36.3Very low37.1Very low151 Ų151131.5 Ų131.581%0.80783%0.829SS**  28.9129.4129.7-80.8-9.2000122.6
414Q38.8Very low37Very low195 Ų195123.1 Ų123.191%0.91182%0.822SS**  -155.5162.295.1-152.9162.451.400112.7
415A36.2Very low37.3Very low90 Ų90127.7 Ų127.774%0.74482%0.822SS**  trans-70.4177.2-174.400000113.8
416S37.3Very low37.2Very low118 Ų118130.3 Ų130.383%0.82582%0.817SS**  cis-167150.91742.30000112.3
417G33.4Very low37.2Very low81 Ų81135.5 Ų135.584%0.83582%0.821SS**  trans105.7107.7137.500000118.6
418G35.1Very low37.2Very low75 Ų75131.2 Ų131.277%0.77382%0.815SS**  trans-97.1-148.5159.800000111.2
419P54.3Low36.8Very low121 Ų121128.2 Ų128.279%0.78681%0.808SS**  cis-123.2-165.7-12.737.3-16.8000110.3
420T38.9Very low36.8Very low131 Ų131130.9 Ų130.980%0.80482%0.817SS**  cis-161.4144.627.1-180000110.6
421G34.1Very low36.7Very low66 Ų66125.6 Ų125.668%0.6881%0.805SS**  trans-82.7-157.8154.600000111
422N36.3Very low36.7Very low156 Ų156134.9 Ų134.983%0.83482%0.819SS**  cis-162.5172.86.3-167.918.4000109.8
423Q45Very low36.5Very low182 Ų182129 Ų12985%0.8582%0.815SS**  trans-64159165.5-71.5176.3-24.600112.9
424G33Very low36.4Very low80 Ų80125.8 Ų125.883%0.82582%0.817SS**  trans-149.6143.7169.600000112.4
425Q38.2Very low36.2Very low177 Ų177120.5 Ų120.583%0.82781%0.807SS**  trans-108.8149.6-175.1-78.5176.2-24.700113.4
426M35.9Very low36.1Very low167 Ų167124.2 Ų124.282%0.82381%0.813SS**  trans49.9131.4143.4-65.4-160.9-84.500123.7
427M33.9Very low35.9Very low189 Ų189122.8 Ų122.893%0.93181%0.808SS**  trans175.3136.5140.6-91.5-66.7-161.900105.4
428G34.5Very low36.9Very low71 Ų71124.5 Ų124.573%0.73280%0.804SS**  103130.955.400000108.4
429V35.1Very low36.8Very low132 Ų132130 Ų13080%0.881%0.81SS**  cis-169.9158.726.6143.60000110.8
430S33.9Very low35.7Very low120 Ų120127.3 Ų127.384%0.83980%0.804SS**  trans69.4145.9161.268.90000120.9
431G33.2Very low35.6Very low68 Ų68127.9 Ų127.970%0.70181%0.808SS**  cis174.8166.9-6.300000114.8
432R32.9Very low35.5Very low261 Ų261131 Ų13199%0.98582%0.819SS**  trans75.5133.4-173.7-64-177.4164.5-165.7-4.6116.7
433G30.8Very low35.6Very low78 Ų78130.8 Ų130.880%0.80482%0.818SS**  cis159.7117-14.600000115.4
434G33.3Very low35.5Very low83 Ų83130.8 Ų130.886%0.85682%0.82SS**  trans75151.8163.300000118.2
435A35Very low35.4Very low84 Ų84130.8 Ų130.869%0.69482%0.82SS**  cis-165.5155-9.400000112.3
436I34.8Very low35.3Very low169 Ų169129.1 Ų129.187%0.86782%0.822SS**  trans75.7123.9154.7-59.2151.6000119.3
437A31.4Very low35.9Very low87 Ų87126.9 Ų126.972%0.71982%0.82SS**  trans-115.2-171.8164.300000107.9
438P55.4Low36Very low117 Ų117126.4 Ų126.476%0.7682%0.818SS**  cis-118.8-168.76.434.8-12000111.3
439E32.2Very low36.2Very low191 Ų191131 Ų13189%0.89382%0.823SS**  cis-137.517824.4-56.1176.9125.300108.2
440G31.6Very low36.2Very low65 Ų65129.9 Ų129.967%0.6782%0.82SS**  cis146.9108.532.900000106.8
441T36.4Very low36.2Very low143 Ų143132.5 Ų132.588%0.87782%0.819SS**  trans-6.8138.9173.156.10000120.2
442S33.4Very low36.4Very low131 Ų131137.4 Ų137.492%0.91683%0.83SS**  trans-144.7144150.4-80.90000112.4
443N37.8Very low36.5Very low152 Ų152128.4 Ų128.481%0.81382%0.818SS**  trans-109-177.4-167.1-165.711000111.3
444M42.1Very low36.7Very low181 Ų181129.9 Ų129.989%0.89282%0.822SS**  trans-35.1143.9178.1-65.1-176.5173.200116.5
445G31.4Very low37Very low80 Ų80134.5 Ų134.583%0.82582%0.824SS**  trans-139.8118167.200000113.2
446T36.4Very low36.8Very low142 Ų142142.2 Ų142.287%0.87184%0.835SS**  trans-85.4155.5156.812.60000109.9
447P49.4Very low36.8Very low120 Ų120140.6 Ų140.678%0.77983%0.828SS**  trans-91.4148-163.935.1-35.2000114.3
448M34.5Very low37Very low180 Ų180143 Ų14389%0.88783%0.829SS**  trans-141.9134.2164.2-91.9-70-155.900111.6
449M39.1Very low35.8Very low168 Ų168148.5 Ų148.583%0.82883%0.834SS**  trans-8.4137.4162.6-53.6-61.1177.900121
450S36.3Very low35.8Very low108 Ų108149.8 Ų149.876%0.75583%0.833SS**  trans175158.5133.2-98.70000107.9
451E33.2Very low37Very low174 Ų174151.9 Ų151.981%0.81383%0.834SS**  cis-170.4146.7-20.2177.4174.6136.400105.3
452N37.8Very low37.1Very low172 Ų172153.9 Ų153.992%0.9283%0.834SS**  trans-159129.1165.9-126.2-18.8000111.3
453G34.5Very low37Very low72 Ų72151.6 Ų151.674%0.74283%0.831SS**  trans-146.8142175.500000111.8
454A34.2Very low36.7Very low108 Ų108147.9 Ų147.989%0.89383%0.828SS**  trans-159.4144.1158.200000109.8
455M39.6Very low36.5Very low181 Ų181145 Ų14589%0.89283%0.826SS**  trans-95.1161.4-168.8-55169.3175.800113.3
456R31.1Very low36.8Very low246 Ų246150 Ų15093%0.92883%0.83SS**  -176.9134.9113.4-100.1172179.6-144.1-1.2115.9
457N35.1Very low36.6Very low134 Ų134147.2 Ų147.272%0.71783%0.83SS**  trans-21.1162.7151.4-76.136.3000118.6
458D35.2Very low35.8Very low139 Ų139144.8 Ų144.874%0.74383%0.827SS**  cis-164.9178.816.4-131-44.7000113.4
459R30.2Very low35.7Very low231 Ų231147.4 Ų147.487%0.87283%0.827SS**  trans104.3101.3149.2-161172.1-70.1-168-1.9121.1
460Y33.4Very low35.4Very low219 Ų219143.8 Ų143.886%0.85982%0.818SS**  trans-77.9-177.3154.4-96.7-92.9000112.1
461P57.2Low35.2Very low108 Ų108146.1 Ų146.170%0.70182%0.817SS**  cis-125-162.7-6.730.7-6000112
462Q37.7Very low35.4Very low186 Ų186142.9 Ų142.987%0.86981%0.809SS**  cis-169.1143.626.6-163.9175.220.300114.1
463G30.5Very low35.2Very low82 Ų82143.2 Ų143.285%0.84581%0.805SS**  trans75.4138.1153.300000119.7
464G32.3Very low35.2Very low74 Ų74145 Ų14576%0.76381%0.806SS**  cis171.3149.2-10.200000113.6
465S37.2Very low36.3Very low121 Ų121145.3 Ų145.385%0.84680%0.799SS**  trans35.7144.4150.6-75.40000122.6
466M38.3Very low36.1Very low184 Ų184145.4 Ų145.491%0.90680%0.795SS**  cis-142.5159.93.2-83-165.1-175.500107.3
467G32.7Very low36.3Very low84 Ų84141.6 Ų141.687%0.86679%0.787SS**  cis108.8144.84700000109.1
468G31.2Very low36.3Very low70 Ų70141.9 Ų141.972%0.72278%0.784SS**  cis-145.1167.4-5.900000110
469R32.6Very low36.3Very low235 Ų235143.4 Ų143.489%0.88779%0.787SS**  48133.797.2-73.9-167.2172.6-156-3.1114.7
470S32.5Very low36.5Very low92 Ų92140.7 Ų140.764%0.64378%0.784SS**  cis-154.6150.223.3-29.20000110.6
471E33.8Very low37.4Very low157 Ų157135.6 Ų135.673%0.73478%0.778SS**  69.4146.496.7-66.6-178.476.900116.3
472V37.4Very low36.4Very low106 Ų106138.3 Ų138.364%0.64279%0.785SS**  cis-169.9154.9-9.4120.40000111
473E33.5Very low36.2Very low179 Ų179133.1 Ų133.184%0.83678%0.782SS**  trans44.5158.2154.5-65.7178101.800126.3
474S33.6Very low37.1Very low110 Ų110134.7 Ų134.777%0.76978%0.778SS**  trans-102.1-159.4164.3-53.70000109
475P56.7Low37.4Very low114 Ų114140.9 Ų140.974%0.7479%0.786SS**  cis-143-177.3-336.2-12.9000117.5
476K36.5Very low37.2Very low183 Ų183139 Ų13980%0.79679%0.786SS**  trans127.4145.6141.5-79.9-177.7172.2175.50119.6
477Q35.3Very low37.1Very low165 Ų165133.8 Ų133.877%0.77178%0.779SS**  trans68.4151.8152.2-81.1175.9-18.500119.3
478Q34.4Very low38.1Very low141 Ų141135.7 Ų135.766%0.65978%0.777SS**  cis-168159.8-26.2-138.7-172.32.700110.6
479Q34.6Very low38.4Very low170 Ų170136.9 Ų136.979%0.79478%0.78SS**  trans74.9150.5155.8-64.2179.858.800122
480Q36.1Very low39.4Very low174 Ų174131.7 Ų131.781%0.81378%0.776SS**  trans-102.4175.7176.7-49.5175.6-3.100110.7
481P52.2Low39.5Very low113 Ų113131 Ų13173%0.73478%0.784SS**  -156.5155.182.939.3-18.4000119.8
482L35.6Very low39.6Very low164 Ų164134.2 Ų134.286%0.85979%0.791SS**  trans38.2112.4136.9-63.1161.7000125
483G32.3Very low39.4Very low77 Ų77133.8 Ų133.879%0.79479%0.793SS**  trans66.5176.7131.400000121.7
484P51.1Low39.5Very low116 Ų116137 Ų13775%0.75380%0.797SS**  cis-137.4168.6-3.642.7-25.6000117.9
485Q37.9Very low39.4Very low203 Ų203135.5 Ų135.595%0.94980%0.799SS**  trans51.4136.1146.7-72-168.779.600125.3
486G32.8Very low38.7Very low81 Ų81135.8 Ų135.884%0.83580%0.803SS**  trans152.7111.4152.300000115.8
487G35.6Very low39.3Very low75 Ų75133 Ų13377%0.77380%0.804SS**  trans-105.1-152.9170.300000112.4
488P53.5Low39.4Very low124 Ų124130.5 Ų130.581%0.80581%0.805SS**  cis-139.6164.7-18.340.8-24.2000116.1
489A37.9Very low40.3Very low96 Ų96130.1 Ų130.179%0.79382%0.815SS**  trans63.1-179.5150.100000119.8
490P54.9Low40.3Very low125 Ų125125.7 Ų125.781%0.81281%0.814SS**  -130174.9-67.439.1-25.5000114.2
491G34.4Very low40.4Very low78 Ų78124.1 Ų124.180%0.80482%0.816SS**  trans-169.3133.7170.400000114.7
492Y35.8Very low39.3Very low225 Ų225127.7 Ų127.788%0.88282%0.821SS**  trans-110.3162.7-169.6-96.7-98.2000114.4
493S33.2Very low39.4Very low97 Ų97126 Ų12668%0.67881%0.812SS**  trans92115.4140.9-780000123.2
494R36.1Very low39.4Very low247 Ų247125.6 Ų125.693%0.93281%0.808SS**  55.6136.5124.7-80.8-176.2171-172.4-1121.7
495G31.2Very low39.4Very low77 Ų77126 Ų12679%0.79481%0.811SS**  trans155.4103136.100000116.4
496S40.5Very low39.4Very low120 Ų120123.5 Ų123.584%0.83980%0.804SS**  trans-74.7160.8158.8-48.50000110.4
497P49.9Very low39.5Very low124 Ų124123.5 Ų123.581%0.80579%0.791SS**  -148.8164.510836.8-20.2000116.4
498S37.8Very low39.8Very low114 Ų114129 Ų12980%0.79779%0.794SS**  trans-110.9-178.9155.8-53.90000107.8
499P53Low39.2Very low133 Ų133134.4 Ų134.486%0.86480%0.798SS**  cis-134.5-175.2341.3-22.7000114.8
500G35.2Very low39.7Very low76 Ų76141.9 Ų141.978%0.78481%0.806SS**  trans-168.7145.3172.100000114.4
501V36.8Very low39.4Very low141 Ų141146.4 Ų146.486%0.85581%0.807SS**  trans-118.1139.7-171.51710000110.5
502F30.6Very low40.2Very low189 Ų189157 Ų15783%0.82983%0.825SS**  trans-167.5171.2142.3-143.7-114.9000115.7
503D36.2Very low40.4Very low128 Ų128153.6 Ų153.668%0.68482%0.822SS**  trans-72.5170-163-80.5-79.9000120.4
504G32.3Very low40.8Very low68 Ų68156.6 Ų156.670%0.70183%0.829SS**  trans-82.8-139.2163.600000112.8
505P52.3Low41Very low124 Ų124151.6 Ų151.681%0.80582%0.824SS**  cis-131.5169.8-1141.7-27.4000114.1
506N37Very low41.6Very low151 Ų151155.9 Ų155.981%0.80783%0.825SS**  trans-163.8126.2144.1-127.9-23.8000119
507S35Very low41.7Very low82 Ų82158.2 Ų158.257%0.57382%0.824SS**  trans43.2116.4136-670000125.1
508K42.8Very low41.1Very low191 Ų191160.5 Ų160.583%0.8383%0.826SS**  73.8108.7121.6-64.7172.7-176.2170.90120.7
509R41.1Very low41.4Very low237 Ų237163.8 Ų163.889%0.89483%0.828SS**  17.2127.2124.5-73.9-177170.7-165.4-0.2117.7
510R46.7Very low40.5Very low252 Ų252166.2 Ų166.295%0.95183%0.825SS**  -144.8134.7123.1-128177.5-174.1-175.80.8111.6
511R48.9Very low40.9Very low220 Ų220173.7 Ų173.783%0.8383%0.828SS**  trans-75.7145.3159.7-63.8174.7176.2169.4-4.6107.7
512Y51.4Low41.3Very low301 Ų301176.6 Ų176.6100%1.1883%0.826SS**  -145.50101.9-104.1-75.3000109.1

Retrieved 512 of 512 residues in 188.6 ms (Link to these results)