A0A087X2X9_POEFO Loading...

Transcription factor SOX-10

AlphaFold DB , UniProt , Accession A0A087X2X9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 499 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
1M33Very low38.3Very low237 Ų237156.1 Ų156.1100%1.16780%0.797SS**  0117.70-59.3157.573.800106.1
2S35.6Very low37.9Very low100 Ų100155.5 Ų155.570%0.69979%0.788SS**  cis-152.9146.3-10.6-70.20000106.9
3R40.7Very low37.8Very low204 Ų204156.2 Ų156.277%0.7779%0.794SS**  42.1137.398.3-41.2-166.372180-3.5114.2
4E43.2Very low37.8Very low135 Ų135151.5 Ų151.563%0.63178%0.782SS**  cis-172.8175.3-13.2-108.1141.7-125.400105.1
5E44.8Very low38.6Very low135 Ų135150.1 Ų150.163%0.63179%0.787SS**  cis-161.9173.512.6-130.7-69.365.100108.2
6Q39.8Very low38.2Very low156 Ų156144.6 Ų144.673%0.72978%0.777SS**  trans67.8158.3152.1-82.4147.750.200120
7S35.8Very low37.9Very low108 Ų108146.9 Ų146.976%0.75579%0.785SS**  cis-150.3161.1-12.3-179.90000110.1
8F36.8Very low37.7Very low209 Ų209144.6 Ų144.692%0.91778%0.782SS**  trans-73.3158.9165-72.5-105.2000111.8
9S36.4Very low37.7Very low115 Ų115144.5 Ų144.580%0.80478%0.781SS**  trans-142.9120.1157.962.30000110.7
10E32.7Very low37.4Very low193 Ų193144 Ų14490%0.90278%0.778SS**  trans-75.8148177.3-165.6167.4104.300110.8
11V42.7Very low37.5Very low125 Ų125140.6 Ų140.676%0.75877%0.765SS**  trans-127.1114.1169.8167.80000109.4
12E32.9Very low37.6Very low149 Ų149140.1 Ų140.170%0.69675%0.75SS**  trans-70.5143.2175.2-169.7-163.6131.500111.3S14E12-S14 WeakPolarHBondContact OE1-CB 3.16Å; E12-S14 PolarHBondContact OE1-OG 3.43Å
13L36.7Very low37.6Very low164 Ų164140.3 Ų140.386%0.85975%0.752SS**  trans-126.282171-76.2175.5000110.9
14S38.4Very low37.4Very low91 Ų91138.5 Ų138.564%0.63676%0.757SS**  trans-80.4124.2167.8-79.30000111E12E12-S14 WeakPolarHBondContact OE1-CB 3.16Å; E12-S14 PolarHBondContact OE1-OG 3.43Å
15P49.2Very low37.1Very low131 Ų131137.2 Ų137.285%0.85176%0.763SS**  trans-89.7142.9173.734.4-32.5000112
16G32.3Very low37.3Very low61 Ų61136 Ų13663%0.62977%0.767SS**  trans-167.2153.9174.400000114.8
17M33.2Very low36.9Very low184 Ų184131.7 Ų131.791%0.90676%0.763SS**  trans64141.9175.195.1-166.17600117.1
18S34.6Very low36.7Very low106 Ų106134.5 Ų134.574%0.74176%0.764SS**  cis-161.4151.9-14470000112.2
19D36.8Very low36.5Very low142 Ų142129.4 Ų129.476%0.75975%0.754SS**  trans11136.5142.1-137.9-98.7000121.7
20D33.2Very low36.4Very low135 Ų135129 Ų12972%0.72275%0.752SS**  -163.6128113.3-152.7-52.6000113.5
21S38.8Very low36.3Very low73 Ų73125.1 Ų125.151%0.5175%0.746SS.*  trans7.5137.1158.1-38.10000122.6
22R35.6Very low35.9Very low226 Ų226123.6 Ų123.685%0.85375%0.747SS**  -173.1108.998.259.5-15372.8170.96.3115.5
23S35Very low36Very low105 Ų105121.6 Ų121.673%0.73476%0.756SS**  trans25.3126.2134.9-44.40000121.3
24L37.2Very low35.7Very low166 Ų166117.8 Ų117.887%0.86976%0.755SS**  177.5149.297.1-91.5174.9000113.2
25S36Very low35.3Very low108 Ų108116.5 Ų116.576%0.75576%0.757SS**  trans-149.7147.8164.8-55.70000109.8
26P48.7Very low34.8Very low110 Ų110117.9 Ų117.971%0.71476%0.755SS**  -111.4170.3118.7-10.730000110.6
27G32.3Very low34.9Very low64 Ų64121.9 Ų121.966%0.6676%0.762SS**  cis99.9141.243.200000109.4
28H31.2Very low35.3Very low168 Ų168118.1 Ų118.178%0.77875%0.754SS**  cis-156.6151.111.2-37.3-99.2000112.3
29S32.6Very low35.9Very low101 Ų101118.9 Ų118.971%0.70676%0.757SS**  trans39.6100.2141.761.20000122.9
30S33.7Very low35.9Very low107 Ų107120.5 Ų120.575%0.74877%0.765SS**  48.2131.6115.466.90000123.9
31S30.6Very low35.8Very low112 Ų112126.2 Ų126.278%0.78378%0.776SS**  132.714311473.50000118.9
32A34.5Very low35.3Very low93 Ų93125.9 Ų125.977%0.76978%0.784SS**  trans68.2122.8140.700000124.4
33A34.9Very low35.2Very low107 Ų107124.6 Ų124.688%0.88479%0.788SS**  trans79.7140.913100000122.4
34G31.3Very low35.1Very low83 Ų83128.2 Ų128.286%0.85679%0.793SS**  trans83.3139.4170.300000114.8
35G30.9Very low35.6Very low65 Ų65124.9 Ų124.967%0.6778%0.782SS**  cis140.1132.3-6.500000111.6
36I37.7Very low35.5Very low159 Ų159128.8 Ų128.882%0.81579%0.788SS**  trans38.8120.8164.958.3172.2000117.6
37D33.7Very low34.9Very low145 Ų145131.8 Ų131.878%0.77580%0.797SS**  -173.2176.867-115-44.7000113.3
38S41.6Very low35.1Very low105 Ų105133.5 Ų133.573%0.73481%0.805SS**  trans-136.8146.4165.2-70.70000110
39P47.3Very low35.6Very low123 Ų123129.9 Ų129.980%0.79980%0.804SS**  -150.8121.9118.133.1-14.2000116.8
40L37.3Very low35.9Very low176 Ų176133.3 Ų133.392%0.92181%0.813SS**  32.1102.3121.2-158.481.8000120.4
41R31.3Very low36Very low254 Ų254135.5 Ų135.596%0.95882%0.817SS**  trans-166.7141150.5-146.4170.5-178.1168.1-0.3109.2
42G29.3Very low36.1Very low66 Ų66138 Ų13868%0.6882%0.822SS**  cis162.9143.7-10.800000111.4
43Q31.6Very low36.6Very low199 Ų199137.7 Ų137.793%0.9382%0.819SS**  trans73.3112.8168.4-69.3177.5-14.100120.6
44Q34.5Very low37.1Very low181 Ų181138.6 Ų138.685%0.84682%0.819SS**  trans-66175.9139.3-124.5-167.9-25.300109.8
45P47.8Very low37.4Very low97 Ų97139.4 Ų139.463%0.6382%0.817SS**  cis-136.4178-4.641.9-25.7000115.2
46Q33.3Very low38.1Very low189 Ų189140.6 Ų140.688%0.88383%0.83SS**  trans-139.4150140.7-85.3-157.7-12.400111.2
47L36.4Very low37.7Very low173 Ų173138.9 Ų138.991%0.90683%0.83SS**  trans-125125.2171.1-68.6168.6000107.3
48A35.8Very low37.9Very low101 Ų101137 Ų13784%0.83583%0.828SS**  trans-151.4133.1166.800000108
49A41.7Very low37.7Very low91 Ų91136.4 Ų136.475%0.75282%0.824SS**  trans-96.6154.5-179.100000111.4
50L39.1Very low37.4Very low173 Ų173137.3 Ų137.391%0.90683%0.827SS**  trans-143.6153.2149.1-78.5-174.5000109.2
51D35.9Very low37.9Very low153 Ų153138.9 Ų138.982%0.81882%0.821SS**  trans-90.8178.4-167.6-66.2-103.1000115
52D32.4Very low38.6Very low166 Ų166131 Ų13189%0.88881%0.805SS**  trans87159.4156.1-150.721.6000118.8
53A45.3Very low39.4Very low85 Ų85134.5 Ų134.570%0.70281%0.808SS**  trans-118.8-170.9-146.600000114.7
54S44.3Very low39.9Very low127 Ų127132.3 Ų132.389%0.88880%0.802SS**  trans71.466.9167-172.10000117.4
55A37.9Very low40.5Very low100 Ų100129.7 Ų129.783%0.82679%0.79SS**  trans-125.5130142.500000109
56G45.9Very low40.7Very low90 Ų90127.9 Ų127.993%0.92878%0.775SS**  trans-72.5132.1-175.100000112.5
57C29.3Very low41.8Very low122 Ų122127.2 Ų127.282%0.82477%0.772SS**  trans-116158.3166.266.40000110.7
58S37.8Very low42.8Very low105 Ų105128.4 Ų128.473%0.73476%0.764SS**  trans-65.5159.4-169-166.20000113.3V60S58-V60 PolarHBondContact O-N 2.87Å
59S37.4Very low43.3Very low93 Ų93125.4 Ų125.465%0.6573%0.733SS**  trans-6877171172.90000111.3R61S59-R61 PolarHBondContact O-N 3.09Å
60V41Very low44.5Very low142 Ų142125.1 Ų125.186%0.86172%0.723SS**  trans-6885158.1-85.80000108.9S58S58-V60 PolarHBondContact O-N 2.87Å
61R48.2Very low45.5Very low210 Ų210120.2 Ų120.279%0.79271%0.708SS**  trans-130.3146.3167-64.9-170.268.5-166.4-1.5107.9S59S59-R61 PolarHBondContact O-N 3.09Å
62S45.9Very low46.7Very low89 Ų89115.1 Ų115.162%0.62269%0.691SS**  trans72.185-179.8-53.20000115.1
63D45.4Very low48.2Very low139 Ų139108.7 Ų108.774%0.74366%0.657SS**SBendtrans-123.3-39.5145.6-150.7-105.5000108.6E65 D66D63-E65 PolarHBondContact O-N 2.64Å; D63-E65 VanDerWaalsContact O-N 3.08Å; D63-D66 PolarHBondContact O-N 2.8Å
64D43.6Very low49.1Very low152 Ų152108.3 Ų108.381%0.81364%0.637SS**G310 helixtrans-58.7-20.8176.7-54.4-100.3000116.2D66D64-D66 VanDerWaalsContact C-N 3.25Å; D64-D66 PolarHBondContact O-N 3.1Å
65E46.8Very low50.3Low127 Ų127107.8 Ų107.859%0.59362%0.62SS**G310 helixtrans-73.8-17.2177.5-70.7-71.9132.600112.3D63 R68D63-E65 PolarHBondContact O-N 2.64Å; D63-E65 VanDerWaalsContact O-N 3.08Å; E65-R68 VanDerWaalsContact O-CB 3.27Å; E65-R68 WeakPolarHBondContact O-CB 3.49Å; E65-R68 PolarHBondContact O-N 3.21Å
66D52.1Low51.5Low59 Ų59104.8 Ų104.832%0.31660%0.596SS.*G310 helixtrans-83.8-10.9-176.9-95.6-80.4000114D63 D64 R68 R74D63-D66 PolarHBondContact O-N 2.8Å; D64-D66 VanDerWaalsContact C-N 3.25Å; D64-D66 PolarHBondContact O-N 3.1Å; D66-R68 VanDerWaalsContact C-N 3.25Å; D66-R74 VanDerWaalsContact O-CZ 3.23Å; D66-R74 PolarHBondContact O-NH1 3.15Å; D66-R74 PolarHBondContact O-NH2 3.1Å; D66-R74 IonicContact OD1-CZ 3.41Å; D66-R74 IonicContact OD1-NE 3.46Å; D66-R74 IonicContact OD1-NH1 3.63Å; D66-R74 PolarHBondContact OD1-NH1 2.97Å
67E55.4Low52.3Low174 Ų174100.7 Ų100.781%0.81355%0.553SS**G310 helixtrans-73.2-17.8166.4-85.6-69.710300112.4F69E67-F69 PolarHBondContact O-N 3.21Å
68R57.1Low54.1Low198 Ų19897.5 Ų97.575%0.74753%0.532SS*.G310 helixtrans-70.1-14.7-177.7-16957.6173.4-161.1-1.6113.5E65 D66E65-R68 VanDerWaalsContact O-CB 3.27Å; E65-R68 WeakPolarHBondContact O-CB 3.49Å; E65-R68 PolarHBondContact O-N 3.21Å; D66-R68 VanDerWaalsContact C-N 3.25Å
69F47Very low55.5Low39 Ų3996.8 Ų96.817%0.17152%0.517CS..SBendtrans-124.8109.8-170.2-58.4-79.9000111.6E67 A71 R74 L145E67-F69 PolarHBondContact O-N 3.21Å; F69-A71 PolarHBondContact O-N 3.19Å; F69-R74 PolarHBondContact O-NE 3.03Å; F69-R74 PolarHBondContact O-NH2 3.39Å; F69-L145 HydrophobicContact CD1-CB 4.23Å; F69-L145 HydrophobicContact CD1-CD2 4.2Å; F69-L145 WeakPolarHBondContact CD1-O 3.49Å; F69-L145 HydrophobicContact CE1-CD2 4.21Å
70P65.9Low56.8Low85 Ų8593 Ų9355%0.55249%0.489SS*.  trans-50.3127.1-179.7-29.635000112.7G72 I73P70-G72 VanDerWaalsContact C-N 3.27Å; P70-G72 PolarHBondContact O-N 3.32Å; P70-G72 VanDerWaalsContact O-N 3.12Å; P70-I73 HydrophobicContact CB-CD1 4.35Å; P70-I73 HydrophobicContact CB-CG1 4.43Å; P70-I73 HydrophobicContact CG-CD1 4.34Å; P70-I73 WeakPolarHBondContact O-CB 3.38Å; P70-I73 PolarHBondContact O-N 3.45Å
71A60.8Low57.9Low70 Ų7088 Ų8858%0.57946%0.458SS*.Hα-helixtrans-52.7-40.2-169.500000113.8F69 I73 R74 E75F69-A71 PolarHBondContact O-N 3.19Å; A71-I73 PolarHBondContact O-N 3.42Å; A71-I73 VanDerWaalsContact O-N 3.1Å; A71-R74 WeakPolarHBondContact O-CB 3.48Å; A71-R74 PolarHBondContact O-N 3.07Å; A71-E75 PolarHBondContact O-N 3.38Å
72G61.7Low58.8Low46 Ų4684.6 Ų84.647%0.47446%0.456SS..Hα-helixtrans-61.5-16.8176.800000115.3P70 A76P70-G72 VanDerWaalsContact C-N 3.27Å; P70-G72 PolarHBondContact O-N 3.32Å; P70-G72 VanDerWaalsContact O-N 3.12Å; G72-A76 WeakPolarHBondContact O-CB 3.4Å; G72-A76 PolarHBondContact O-N 2.9Å
73I64.1Low59.2Low31 Ų3184.6 Ų84.616%0.15945%0.454CS..Hα-helixtrans-77.2-46.7171.7-64.7-178.3000110.3P70 A71 E75 A76 V77 L142 L145P70-I73 HydrophobicContact CB-CD1 4.35Å; P70-I73 HydrophobicContact CB-CG1 4.43Å; P70-I73 HydrophobicContact CG-CD1 4.34Å; P70-I73 WeakPolarHBondContact O-CB 3.38Å; P70-I73 PolarHBondContact O-N 3.45Å; A71-I73 PolarHBondContact O-N 3.42Å; A71-I73 VanDerWaalsContact O-N 3.1Å; I73-E75 VanDerWaalsContact C-N 3.3Å; I73-E75 PolarHBondContact O-N 3.11Å; I73-A76 PolarHBondContact O-N 3.09Å; I73-V77 WeakPolarHBondContact O-CB 3.48Å; I73-V77 WeakPolarHBondContact O-CG2 3.32Å; I73-V77 PolarHBondContact O-N 2.99Å; I73-L142 HydrophobicContact CB-CD2 4.27Å; I73-L142 HydrophobicContact CD1-CD2 4.31Å; I73-L142 HydrophobicContact CG1-CD2 3.91Å; I73-L142 HydrophobicContact CG2-CD2 3.78Å; I73-L145 HydrophobicContact CD1-CD1 3.57Å; I73-L145 HydrophobicContact CG2-CB 4.21Å
74R63Low59.8Low77 Ų7778.5 Ų78.529%0.29142%0.421SS..Hα-helixtrans-59.4-44.9172.1-75.4175.6-80.7175.8-1110D66 F69 A71 V77 S78D66-R74 VanDerWaalsContact O-CZ 3.23Å; D66-R74 PolarHBondContact O-NH1 3.15Å; D66-R74 PolarHBondContact O-NH2 3.1Å; D66-R74 IonicContact OD1-CZ 3.41Å; D66-R74 IonicContact OD1-NE 3.46Å; D66-R74 IonicContact OD1-NH1 3.63Å; D66-R74 PolarHBondContact OD1-NH1 2.97Å; F69-R74 PolarHBondContact O-NE 3.03Å; F69-R74 PolarHBondContact O-NH2 3.39Å; A71-R74 WeakPolarHBondContact O-CB 3.48Å; A71-R74 PolarHBondContact O-N 3.07Å; R74-V77 PolarHBondContact O-N 3.17Å; R74-S78 WeakPolarHBondContact O-CB 3.21Å; R74-S78 PolarHBondContact O-N 3.12Å; R74-S78 PolarHBondContact O-OG 3.25Å
75E70.1Confident60.4Low115 Ų11575 Ų7554%0.53740%0.402SS..Hα-helixtrans-61.1-52.6177.3-161.2-156.3151.300112.6A71 I73 V77 S78 Q79A71-E75 PolarHBondContact O-N 3.38Å; I73-E75 VanDerWaalsContact C-N 3.3Å; I73-E75 PolarHBondContact O-N 3.11Å; E75-V77 PolarHBondContact O-N 3.38Å; E75-S78 PolarHBondContact O-N 2.99Å; E75-S78 VanDerWaalsContact O-N 3.16Å; E75-Q79 WeakPolarHBondContact O-CG 3.25Å; E75-Q79 PolarHBondContact O-N 3.42Å; E75-Q79 PolarHBondContact OE1-NE2 3.3Å
76A63.7Low61Low37 Ų3774.1 Ų74.131%0.30639%0.394SS..Hα-helixtrans-60.1-32.5179.200000112.5G72 I73 V80G72-A76 WeakPolarHBondContact O-CB 3.4Å; G72-A76 PolarHBondContact O-N 2.9Å; I73-A76 PolarHBondContact O-N 3.09Å; A76-V80 VanDerWaalsContact O-CG2 3.27Å; A76-V80 WeakPolarHBondContact O-CG2 3.24Å; A76-V80 PolarHBondContact O-N 3.19Å
77V62.3Low61.2Low5 Ų577 Ų773%0.0341%0.414CS..Hα-helixtrans-71.1-46.5175.2164.20000111.5I73 R74 E75 Q79 V80 L81 L146I73-V77 WeakPolarHBondContact O-CB 3.48Å; I73-V77 WeakPolarHBondContact O-CG2 3.32Å; I73-V77 PolarHBondContact O-N 2.99Å; R74-V77 PolarHBondContact O-N 3.17Å; E75-V77 PolarHBondContact O-N 3.38Å; V77-Q79 VanDerWaalsContact C-N 3.33Å; V77-Q79 PolarHBondContact O-N 3.23Å; V77-V80 CarbonylContact O-C 3.23Å; V77-V80 WeakPolarHBondContact O-CA 3.3Å; V77-V80 WeakPolarHBondContact O-CB 3.38Å; V77-V80 PolarHBondContact O-N 2.87Å; V77-L81 HydrophobicContact CG1-CD1 3.97Å; V77-L81 WeakPolarHBondContact O-CG 3.38Å; V77-L81 PolarHBondContact O-N 3.08Å; V77-L146 HydrophobicContact CB-CD2 3.92Å; V77-L146 HydrophobicContact CG1-CD2 3.34Å; V77-L146 HydrophobicContact CG2-CD2 3.38Å; V77-L146 HydrophobicContact CG2-CG 4.44Å
78S66.8Low61.3Low55 Ų5572.3 Ų72.339%0.38539%0.394SS..Hα-helixtrans-61.5-41.1174.4-65.50000111.4R74 E75 V80 L81 N82R74-S78 WeakPolarHBondContact O-CB 3.21Å; R74-S78 PolarHBondContact O-N 3.12Å; R74-S78 PolarHBondContact O-OG 3.25Å; E75-S78 PolarHBondContact O-N 2.99Å; E75-S78 VanDerWaalsContact O-N 3.16Å; S78-V80 VanDerWaalsContact C-N 3.33Å; S78-V80 PolarHBondContact O-N 3Å; S78-L81 PolarHBondContact O-N 2.64Å; S78-N82 VanDerWaalsContact O-CB 3.25Å; S78-N82 WeakPolarHBondContact O-CB 3.25Å; S78-N82 PolarHBondContact O-N 2.7Å; S78-N82 PolarHBondContact O-ND2 2.88Å; S78-N82 PolarHBondContact O-OD1 3.35Å
79Q66.4Low61.3Low89 Ų8963.2 Ų63.242%0.41636%0.36SS..Hα-helixtrans-60.3-40170.3-70.3-175.122.600111.8E75 V77 C83 K122E75-Q79 WeakPolarHBondContact O-CG 3.25Å; E75-Q79 PolarHBondContact O-N 3.42Å; E75-Q79 PolarHBondContact OE1-NE2 3.3Å; V77-Q79 VanDerWaalsContact C-N 3.33Å; V77-Q79 PolarHBondContact O-N 3.23Å; Q79-C83 PolarHBondContact O-SG 3.48Å; Q79-C83 VanDerWaalsContact O-SG 3.33Å; Q79-K122 PolarHBondContact O-NZ 2.96Å
80V65.1Low61.7Low13 Ų1364.6 Ų64.68%0.07937%0.373CS..Hα-helixtrans-62.4-48174.7164.80000111.3A76 V77 S78 Y84 A118 A119 K122A76-V80 VanDerWaalsContact O-CG2 3.27Å; A76-V80 WeakPolarHBondContact O-CG2 3.24Å; A76-V80 PolarHBondContact O-N 3.19Å; V77-V80 CarbonylContact O-C 3.23Å; V77-V80 WeakPolarHBondContact O-CA 3.3Å; V77-V80 WeakPolarHBondContact O-CB 3.38Å; V77-V80 PolarHBondContact O-N 2.87Å; S78-V80 VanDerWaalsContact C-N 3.33Å; S78-V80 PolarHBondContact O-N 3Å; V80-Y84 WeakPolarHBondContact O-CB 3.4Å; V80-Y84 PolarHBondContact O-N 2.85Å; V80-A118 HydrophobicContact CG1-CB 4.03Å; V80-A119 HydrophobicContact CG1-CB 3.94Å; V80-A119 HydrophobicContact CG2-CB 3.93Å; V80-K122 HydrophobicContact CB-CD 4.44Å; V80-K122 HydrophobicContact CG2-CD 4.01Å; V80-K122 PolarHBondContact O-NZ 2.98Å
81L65.1Low60.9Low37 Ų3764.1 Ų64.119%0.19436%0.364CS..Hα-helixtrans-62.5-53.2178.9-75162.6000112.4V77 S78 C83 Y84 W86 F154V77-L81 HydrophobicContact CG1-CD1 3.97Å; V77-L81 WeakPolarHBondContact O-CG 3.38Å; V77-L81 PolarHBondContact O-N 3.08Å; S78-L81 PolarHBondContact O-N 2.64Å; L81-C83 VanDerWaalsContact C-N 3.28Å; L81-C83 PolarHBondContact O-N 2.7Å; L81-Y84 PolarHBondContact O-N 2.71Å; L81-W86 HydrophobicContact CD2-CH2 3.93Å; L81-W86 HydrophobicContact CD2-CZ2 3.69Å; L81-F154 HydrophobicContact CD2-CE2 3.79Å; L81-F154 HydrophobicContact CD2-CZ 3.5Å; L81-F154 HydrophobicContact CG-CZ 4.45Å
82N66.5Low60.6Low140 Ų14063.8 Ų63.875%0.74936%0.356SS*.Hα-helixtrans-63.5-28.9-168-70.9-3.8000114.3S78S78-N82 VanDerWaalsContact O-CB 3.25Å; S78-N82 WeakPolarHBondContact O-CB 3.25Å; S78-N82 PolarHBondContact O-N 2.7Å; S78-N82 PolarHBondContact O-ND2 2.88Å; S78-N82 PolarHBondContact O-OD1 3.35Å
83C54.3Low59.8Low88 Ų8865.3 Ų65.360%0.59536%0.356SS*.THydrogen-bonded Turntrans-12042.5170.9420000112.2Q79 L81 K122Q79-C83 PolarHBondContact O-SG 3.48Å; Q79-C83 VanDerWaalsContact O-SG 3.33Å; L81-C83 VanDerWaalsContact C-N 3.28Å; L81-C83 PolarHBondContact O-N 2.7Å; C83-K122 VanDerWaalsContact O-CE 3.27Å; C83-K122 WeakPolarHBondContact O-CE 3.45Å; C83-K122 PolarHBondContact O-NZ 3.42Å; C83-K122 PolarHBondContact SG-NZ 2.9Å
84Y57Low59.1Low11 Ų1173.7 Ų73.74%0.04339%0.386CS..  trans-104.2113159.1-175.2-118.9000109.8V80 L81 W86 I88 V89 A118V80-Y84 WeakPolarHBondContact O-CB 3.4Å; V80-Y84 PolarHBondContact O-N 2.85Å; L81-Y84 PolarHBondContact O-N 2.71Å; Y84-W86 AromaticContact CD1-CD2 3.76Å; Y84-W86 HydrophobicContact CD1-CD2 3.76Å; Y84-W86 AromaticContact CD1-CE3 3.84Å; Y84-W86 HydrophobicContact CD1-CE3 3.84Å; Y84-W86 HydrophobicContact CD1-CG 4.23Å; Y84-W86 HydrophobicContact CD1-CH2 4.45Å; Y84-W86 HydrophobicContact CD1-CZ2 4.36Å; Y84-W86 HydrophobicContact CD1-CZ3 4.19Å; Y84-W86 HydrophobicContact CE1-CD2 4.13Å; Y84-W86 AromaticContact CE1-CE3 3.84Å; Y84-W86 HydrophobicContact CE1-CE3 3.84Å; Y84-W86 HydrophobicContact CE1-CZ3 4.29Å; Y84-W86 VanDerWaalsContact O-CD1 3.23Å; Y84-W86 PolarHBondContact O-N 3.07Å; Y84-W86 PolarHBondContact O-NE1 2.8Å; Y84-I88 VanDerWaalsContact OH-C 3.3Å; Y84-I88 PolarHBondContact OH-O 3.17Å; Y84-V89 HydrophobicContact CE1-CG2 3.73Å; Y84-V89 WeakPolarHBondContact OH-CA 3.34Å; Y84-V89 VanDerWaalsContact OH-CG2 3.24Å; Y84-V89 WeakPolarHBondContact OH-CG2 3.43Å; Y84-V89 PolarHBondContact OH-N 3.3Å; Y84-A118 HydrophobicContact CD1-CB 4.15Å; Y84-A118 HydrophobicContact CD2-CB 3.35Å; Y84-A118 HydrophobicContact CE1-CB 4.36Å; Y84-A118 HydrophobicContact CE2-CB 3.64Å; Y84-A118 HydrophobicContact CG-CB 3.65Å
85D57.7Low58Low79 Ų7976.7 Ų76.742%0.42241%0.412SS..  trans-72.9111.2166.9174.81000109.1T87 I88D85-T87 PolarHBondContact O-N 3.43Å; D85-T87 VanDerWaalsContact OD1-CB 3.32Å; D85-T87 WeakPolarHBondContact OD1-CB 3.42Å; D85-T87 WeakPolarHBondContact OD1-CG2 3.47Å; D85-T87 PolarHBondContact OD1-N 3.15Å; D85-T87 PolarHBondContact OD1-OG1 3.29Å; D85-T87 PolarHBondContact OD2-OG1 3.14Å; D85-T87 VanDerWaalsContact OD2-OG1 3.08Å; D85-I88 HydrophobicContact CB-CD1 3.8Å; D85-I88 HydrophobicContact CB-CG1 3.87Å; D85-I88 WeakPolarHBondContact O-CB 3.32Å; D85-I88 PolarHBondContact O-N 2.91Å; D85-I88 WeakPolarHBondContact OD2-CG1 3.47Å
86W58.2Low56.7Low108 Ų10876.2 Ų76.241%0.40942%0.421SS..G310 helixtrans-68.9-17.5-177.9-61.190.7000113.4L81 Y84 I88 V89 P153 F154L81-W86 HydrophobicContact CD2-CH2 3.93Å; L81-W86 HydrophobicContact CD2-CZ2 3.69Å; Y84-W86 AromaticContact CD1-CD2 3.76Å; Y84-W86 HydrophobicContact CD1-CD2 3.76Å; Y84-W86 AromaticContact CD1-CE3 3.84Å; Y84-W86 HydrophobicContact CD1-CE3 3.84Å; Y84-W86 HydrophobicContact CD1-CG 4.23Å; Y84-W86 HydrophobicContact CD1-CH2 4.45Å; Y84-W86 HydrophobicContact CD1-CZ2 4.36Å; Y84-W86 HydrophobicContact CD1-CZ3 4.19Å; Y84-W86 HydrophobicContact CE1-CD2 4.13Å; Y84-W86 AromaticContact CE1-CE3 3.84Å; Y84-W86 HydrophobicContact CE1-CE3 3.84Å; Y84-W86 HydrophobicContact CE1-CZ3 4.29Å; Y84-W86 VanDerWaalsContact O-CD1 3.23Å; Y84-W86 PolarHBondContact O-N 3.07Å; Y84-W86 PolarHBondContact O-NE1 2.8Å; W86-I88 PolarHBondContact O-N 3.27Å; W86-V89 HydrophobicContact CE3-CG2 4.44Å; W86-V89 WeakPolarHBondContact O-CG2 3.22Å; W86-V89 PolarHBondContact O-N 2.84Å; W86-P153 HydrophobicContact CH2-CB 4.44Å; W86-F154 HydrophobicContact CH2-CD1 4.05Å; W86-F154 AromaticContact CH2-CE1 3.38Å; W86-F154 HydrophobicContact CH2-CE1 3.38Å; W86-F154 HydrophobicContact CH2-CE2 4.41Å; W86-F154 AromaticContact CH2-CZ 3.59Å; W86-F154 HydrophobicContact CH2-CZ 3.59Å; W86-F154 HydrophobicContact CZ2-CZ 4.47Å; W86-F154 AromaticContact CZ3-CD1 3.96Å; W86-F154 HydrophobicContact CZ3-CD1 3.96Å; W86-F154 AromaticContact CZ3-CE1 3.6Å; W86-F154 HydrophobicContact CZ3-CE1 3.6Å; W86-F154 HydrophobicContact CZ3-CZ 4.29Å
87T56.3Low55.7Low121 Ų12179.1 Ų79.174%0.74245%0.445SS*.G310 helixtrans-67-20.7170.574.20000111.8D85 V89D85-T87 PolarHBondContact O-N 3.43Å; D85-T87 VanDerWaalsContact OD1-CB 3.32Å; D85-T87 WeakPolarHBondContact OD1-CB 3.42Å; D85-T87 WeakPolarHBondContact OD1-CG2 3.47Å; D85-T87 PolarHBondContact OD1-N 3.15Å; D85-T87 PolarHBondContact OD1-OG1 3.29Å; D85-T87 PolarHBondContact OD2-OG1 3.14Å; D85-T87 VanDerWaalsContact OD2-OG1 3.08Å; T87-V89 VanDerWaalsContact C-N 3.28Å; T87-V89 PolarHBondContact O-N 2.74Å
88I58.4Low54.9Low75 Ų7582.5 Ų82.539%0.38548%0.481SS..G310 helixtrans-90.621.2175.5-32.3178.6000111.8Y84 D85 W86 P90Y84-I88 VanDerWaalsContact OH-C 3.3Å; Y84-I88 PolarHBondContact OH-O 3.17Å; D85-I88 HydrophobicContact CB-CD1 3.8Å; D85-I88 HydrophobicContact CB-CG1 3.87Å; D85-I88 WeakPolarHBondContact O-CB 3.32Å; D85-I88 PolarHBondContact O-N 2.91Å; D85-I88 WeakPolarHBondContact OD2-CG1 3.47Å; W86-I88 PolarHBondContact O-N 3.27Å; I88-P90 WeakPolarHBondContact O-CD 3.47Å
89V56.3Low53.6Low7 Ų783.5 Ų83.54%0.04249%0.488CS..SBendtrans-76.1107.4154.6-178.90000106.6Y84 W86 T87 M91 M109 V114 E157 L161Y84-V89 HydrophobicContact CE1-CG2 3.73Å; Y84-V89 WeakPolarHBondContact OH-CA 3.34Å; Y84-V89 VanDerWaalsContact OH-CG2 3.24Å; Y84-V89 WeakPolarHBondContact OH-CG2 3.43Å; Y84-V89 PolarHBondContact OH-N 3.3Å; W86-V89 HydrophobicContact CE3-CG2 4.44Å; W86-V89 WeakPolarHBondContact O-CG2 3.22Å; W86-V89 PolarHBondContact O-N 2.84Å; T87-V89 VanDerWaalsContact C-N 3.28Å; T87-V89 PolarHBondContact O-N 2.74Å; V89-M91 PolarHBondContact O-N 3.38Å; V89-M109 HydrophobicContact CG1-CE 4.18Å; V89-V114 HydrophobicContact CG1-CG1 4.4Å; V89-V114 HydrophobicContact CG2-CG1 4.3Å; V89-E157 HydrophobicContact CG1-CG 4.21Å; V89-E157 WeakPolarHBondContact CG1-OE1 3.33Å; V89-E157 HydrophobicContact CG2-CG 4.4Å; V89-L161 HydrophobicContact CG1-CD1 3.98Å
90P55.3Low52.8Low67 Ų6789.9 Ų89.944%0.43551%0.514SS..  trans-76.196.2-169.9-11.629.5000108.7I88I88-P90 WeakPolarHBondContact O-CD 3.47Å
91M49.3Very low52.1Low75 Ų7593.2 Ų93.237%0.36954%0.538SS..  trans-52.5131.5163.4-67.4-169.668.100107.3V89 V93 R160 L161 Q164V89-M91 PolarHBondContact O-N 3.38Å; M91-V93 HydrophobicContact CB-CG2 4.41Å; M91-V93 PolarHBondContact O-N 3.01Å; M91-R160 PolarHBondContact SD-NH1 3.37Å; M91-L161 HydrophobicContact CG-CD2 4.4Å; M91-Q164 HydrophobicContact CE-CG 3.78Å
92P54.5Low51.7Low64 Ų64101 Ų10142%0.41657%0.571SS.*SBendtrans-72.831.6-172.728.4-34.8000114.1R94P92-R94 PolarHBondContact O-N 2.87Å; P92-R94 VanDerWaalsContact O-N 3.14Å
93V45.4Very low52.4Low77 Ų77100 Ų10047%0.46758%0.575SS.*  trans-86.280176.6-170.50000109.9M91M91-V93 HydrophobicContact CB-CG2 4.41Å; M91-V93 PolarHBondContact O-N 3.01Å
94R49.8Very low53.9Low208 Ų208103.1 Ų103.179%0.78558%0.58SS**  trans55.778.6144.7-60.1-178.6-79.6-126.7-1.4118.1P92P92-R94 PolarHBondContact O-N 2.87Å; P92-R94 VanDerWaalsContact O-N 3.14Å
95V38.8Very low55.6Low140 Ų140104.3 Ų104.385%0.84859%0.589SS**  trans-123.4105.8136-170.80000108.8A97V95-A97 PolarHBondContact O-N 3.19Å; V95-A97 VanDerWaalsContact O-N 3.14Å
96S44.3Very low57.3Low105 Ų105108.4 Ų108.473%0.73460%0.603SS**  trans-86.678-177.9-1770000111.1G98S96-G98 VanDerWaalsContact C-N 3.34Å; S96-G98 PolarHBondContact O-N 3.29Å
97A42.7Very low59.1Low97 Ų97110.6 Ų110.680%0.80261%0.611SS**  trans-70.583176.100000112.3V95V95-A97 PolarHBondContact O-N 3.19Å; V95-A97 VanDerWaalsContact O-N 3.14Å
98G44.2Very low60.9Low77 Ų77106.7 Ų106.779%0.79459%0.588SS**SBendtrans92.7-1.2148.100000120.2S96S96-G98 VanDerWaalsContact C-N 3.34Å; S96-G98 PolarHBondContact O-N 3.29Å
99S40.8Very low62.7Low75 Ų75105.5 Ų105.552%0.52458%0.581SS.*  trans-96.2117.8-179.864.80000113.9S101S99-S101 PolarHBondContact O-N 3.37Å; S99-S101 PolarHBondContact OG-OG 3.41Å
100K48.8Very low64.7Low223 Ų223109.6 Ų109.697%0.9760%0.603SS**  trans-71.715.9175.6-62.2-178.9-179.8177.20114.7
101S50.5Low66.6Low83 Ų83107 Ų10758%0.5859%0.587SS**SBendtrans-83.8142.2176.850.90000111.3S99 S103S99-S101 PolarHBondContact O-N 3.37Å; S99-S101 PolarHBondContact OG-OG 3.41Å; S101-S103 PolarHBondContact O-N 3.41Å
102K57.4Low68.8Low201 Ų201105.7 Ų105.787%0.87458%0.579SS**  trans-42.7136.7170.3-57.4-179.5-178-175.10110.4H104K102-H104 VanDerWaalsContact C-N 3.31Å; K102-H104 PolarHBondContact O-N 3.49Å
103S80.3Confident70.9Confident119 Ų119107 Ų10783%0.83258%0.581SS**  trans-60.680.5-17043.30000113.7S101 V105S101-S103 PolarHBondContact O-N 3.41Å; S103-V105 PolarHBondContact O-N 2.89Å
104H86.5Confident73.2Confident153 Ų153103.4 Ų103.471%0.70856%0.559SS**  trans-76.8109.6179.7-18056.4000110.6K102 K106K102-H104 VanDerWaalsContact C-N 3.31Å; K102-H104 PolarHBondContact O-N 3.49Å; H104-K106 PolarHBondContact O-N 3.33Å; H104-K106 VanDerWaalsContact O-N 3.09Å
105V91.7Very high75.3Confident37 Ų3793.6 Ų93.622%0.22452%0.522CS..  trans-60.4110.3173.9179.10000109.5S103 H165 Y169 Y172S103-V105 PolarHBondContact O-N 2.89Å; V105-H165 WeakPolarHBondContact CG1-CE1 3.27Å; V105-Y169 HydrophobicContact CG1-CD1 4.03Å; V105-Y169 HydrophobicContact CG1-CD2 3.72Å; V105-Y169 HydrophobicContact CG1-CE1 4.21Å; V105-Y169 HydrophobicContact CG1-CE2 3.91Å; V105-Y169 HydrophobicContact CG1-CG 3.78Å; V105-Y169 HydrophobicContact CG2-CD1 3.72Å; V105-Y169 HydrophobicContact CG2-CE1 3.66Å; V105-Y169 HydrophobicContact CG2-CG 4.31Å; V105-Y172 HydrophobicContact CB-CD2 3.88Å; V105-Y172 HydrophobicContact CB-CE2 3.84Å; V105-Y172 HydrophobicContact CG1-CD2 3.48Å; V105-Y172 VanDerWaalsContact CG1-CD2 3.48Å; V105-Y172 HydrophobicContact CG1-CE2 3.62Å; V105-Y172 HydrophobicContact CG1-CG 4.43Å; V105-Y172 WeakPolarHBondContact O-CE2 3.46Å
106K93.4Very high78Confident165 Ų16586.9 Ų86.972%0.71748%0.482SS*.PPolyproline II helixtrans-69.2145.1174.8-68.8174.964.5-175.80109.5H104 H165H104-K106 PolarHBondContact O-N 3.33Å; H104-K106 VanDerWaalsContact O-N 3.09Å; K106-H165 PolarHBondContact O-CE1 3.12Å
107R95.8Very high80.3Confident153 Ų15384.9 Ų84.958%0.57746%0.461SS*.PPolyproline II helixtrans-56.7150.3172.8-55.2179.8-151.6-158.46.5110.9Y172 Y174R107-Y172 WeakPolarHBondContact CG-OH 3.13Å; R107-Y174 VanDerWaalsContact CZ-CZ 3.49Å; R107-Y174 VanDerWaalsContact NH1-CZ 3.31Å; R107-Y174 PolarHBondContact NH1-OH 2.78Å; R107-Y174 PolarHBondContact NH2-OH 2.93Å; R107-Y174 VanDerWaalsContact NH2-OH 3.08Å
108P95.4Very high82.4Confident40 Ų4080.3 Ų80.326%0.2642%0.423SS..PPolyproline II helixtrans-61.7154.4163.628.9-33.4000110.2H165P108-H165 HydrophobicContact CB-CB 3.99Å; P108-H165 HydrophobicContact CG-CB 4.15Å
109M96Very high84.6Confident49 Ų4976.8 Ų76.824%0.24139%0.386CS..PPolyproline II helixtrans-76.7141.4175.7-62.4-167.7-70.600110.1V89 M113 V114 L161V89-M109 HydrophobicContact CG1-CE 4.18Å; M109-M113 HydrophobicContact CB-CB 4.06Å; M109-M113 HydrophobicContact CG-CB 4.44Å; M109-V114 HydrophobicContact CB-CG2 3.8Å; M109-V114 HydrophobicContact CE-CG2 4.36Å; M109-L161 HydrophobicContact CB-CD1 4.3Å; M109-L161 HydrophobicContact CE-CD1 4.14Å
110N97.3Very high87Confident93 Ų9375.7 Ų75.750%0.49737%0.371SS..PPolyproline II helixtrans-88168.9168.170.45000110.3F112 M113 V114N110-F112 VanDerWaalsContact C-N 3.31Å; N110-F112 PolarHBondContact O-N 3.01Å; N110-M113 WeakPolarHBondContact O-CA 3.27Å; N110-M113 PolarHBondContact O-N 2.87Å; N110-M113 WeakPolarHBondContact OD1-CB 3.37Å; N110-M113 WeakPolarHBondContact OD1-CG 3.43Å; N110-M113 PolarHBondContact OD1-N 3.3Å; N110-V114 PolarHBondContact O-N 2.83Å
111A95.9Very high89Confident14 Ų1469.5 Ų69.512%0.11634%0.341CS..Hα-helixtrans-51.2-47.5-17400000113.4M113 V114 W115 W143 F154 I155 A158A111-M113 VanDerWaalsContact C-N 3.33Å; A111-M113 PolarHBondContact O-N 2.94Å; A111-V114 PolarHBondContact O-N 3.46Å; A111-W115 PolarHBondContact O-N 3.01Å; A111-W143 HydrophobicContact CB-CH2 3.76Å; A111-W143 HydrophobicContact CB-CZ2 3.88Å; A111-F154 WeakPolarHBondContact CA-O 3.45Å; A111-F154 HydrophobicContact CB-CB 4.23Å; A111-F154 WeakPolarHBondContact CB-O 3.36Å; A111-I155 HydrophobicContact CB-CB 4.4Å; A111-I155 HydrophobicContact CB-CG1 3.74Å; A111-A158 HydrophobicContact CB-CB 4.16Å; A111-A158 VanDerWaalsContact N-CB 3.25Å
112F96.3Very high90.8Very high46 Ų4667.2 Ų67.220%0.20232%0.321CS..Hα-helixtrans-57.6-41.8174.6172.4-101.8000112.8N110 W115 A116 W143N110-F112 VanDerWaalsContact C-N 3.31Å; N110-F112 PolarHBondContact O-N 3.01Å; F112-W115 HydrophobicContact CD2-CE3 4.02Å; F112-W115 HydrophobicContact CD2-CZ3 4.09Å; F112-W115 HydrophobicContact CE2-CE3 4.14Å; F112-W115 AromaticContact CE2-CZ3 3.77Å; F112-W115 HydrophobicContact CE2-CZ3 3.77Å; F112-A116 HydrophobicContact CE1-CB 4.29Å; F112-A116 HydrophobicContact CE2-CB 4.3Å; F112-A116 HydrophobicContact CZ-CB 4.15Å; F112-A116 WeakPolarHBondContact O-CA 3.41Å; F112-A116 WeakPolarHBondContact O-CB 3.31Å; F112-A116 PolarHBondContact O-N 3.48Å; F112-W143 HydrophobicContact CB-CD2 4.25Å; F112-W143 HydrophobicContact CD2-CB 3.69Å; F112-W143 AromaticContact CD2-CD1 3.9Å; F112-W143 AromaticContact CD2-CD2 3.89Å; F112-W143 HydrophobicContact CD2-CD2 3.89Å; F112-W143 HydrophobicContact CD2-CE3 4.45Å; F112-W143 AromaticContact CD2-CG 3.52Å; F112-W143 HydrophobicContact CD2-CG 3.52Å; F112-W143 HydrophobicContact CE2-CB 3.9Å; F112-W143 HydrophobicContact CE2-CG 4.23Å; F112-W143 HydrophobicContact CG-CG 4.48Å
113M96.8Very high92.2Very high92 Ų9259.4 Ų59.445%0.45329%0.288SS..Hα-helixtrans-72.1-33.8-180-70.4-69.4176.200112.7M109 N110 A111 Q117M109-M113 HydrophobicContact CB-CB 4.06Å; M109-M113 HydrophobicContact CG-CB 4.44Å; N110-M113 WeakPolarHBondContact O-CA 3.27Å; N110-M113 PolarHBondContact O-N 2.87Å; N110-M113 WeakPolarHBondContact OD1-CB 3.37Å; N110-M113 WeakPolarHBondContact OD1-CG 3.43Å; N110-M113 PolarHBondContact OD1-N 3.3Å; A111-M113 VanDerWaalsContact C-N 3.33Å; A111-M113 PolarHBondContact O-N 2.94Å; M113-Q117 PolarHBondContact O-N 2.85Å; M113-Q117 VanDerWaalsContact O-N 3.08Å
114V94.6Very high92.6Very high1 Ų155.1 Ų55.11%0.00626%0.26CS..Hα-helixtrans-62.7-56.6172.7-177.90000109.6V89 M109 N110 A111 A116 Q117 F154 E157 A158 L161V89-V114 HydrophobicContact CG1-CG1 4.4Å; V89-V114 HydrophobicContact CG2-CG1 4.3Å; M109-V114 HydrophobicContact CB-CG2 3.8Å; M109-V114 HydrophobicContact CE-CG2 4.36Å; N110-V114 PolarHBondContact O-N 2.83Å; A111-V114 PolarHBondContact O-N 3.46Å; V114-A116 PolarHBondContact O-N 3.31Å; V114-Q117 WeakPolarHBondContact O-CB 3.24Å; V114-Q117 PolarHBondContact O-N 3.44Å; V114-F154 HydrophobicContact CB-CD1 4.43Å; V114-F154 HydrophobicContact CG1-CD1 4.03Å; V114-E157 HydrophobicContact CG1-CG 3.99Å; V114-A158 HydrophobicContact CG2-CB 4.4Å; V114-L161 HydrophobicContact CG2-CD1 3.87Å
115W94.5Very high92.6Very high2 Ų253.3 Ų53.31%0.00826%0.256CS..Hα-helixtrans-58.2-47.5177.1168.884.6000112.7A111 F112 Q117 A118 A119 L139 L142 W143 F154A111-W115 PolarHBondContact O-N 3.01Å; F112-W115 HydrophobicContact CD2-CE3 4.02Å; F112-W115 HydrophobicContact CD2-CZ3 4.09Å; F112-W115 HydrophobicContact CE2-CE3 4.14Å; F112-W115 AromaticContact CE2-CZ3 3.77Å; F112-W115 HydrophobicContact CE2-CZ3 3.77Å; W115-Q117 PolarHBondContact O-N 3.3Å; W115-A118 PolarHBondContact O-N 3.39Å; W115-A118 VanDerWaalsContact O-N 3.13Å; W115-A119 HydrophobicContact CD2-CB 4.36Å; W115-A119 HydrophobicContact CH2-CB 4.29Å; W115-A119 HydrophobicContact CZ2-CB 3.94Å; W115-A119 PolarHBondContact O-N 2.87Å; W115-L139 HydrophobicContact CH2-CB 3.98Å; W115-L139 HydrophobicContact CH2-CD2 3.47Å; W115-L139 VanDerWaalsContact CH2-CD2 3.47Å; W115-L139 HydrophobicContact CH2-CG 4.35Å; W115-L139 VanDerWaalsContact CH2-O 3.29Å; W115-L139 WeakPolarHBondContact CH2-O 3.4Å; W115-L139 HydrophobicContact CZ2-CD2 4.16Å; W115-L139 HydrophobicContact CZ3-CB 3.85Å; W115-L139 HydrophobicContact CZ3-CD2 3.82Å; W115-L139 HydrophobicContact CZ3-CG 4.44Å; W115-L139 WeakPolarHBondContact CZ3-O 3.35Å; W115-L142 HydrophobicContact CH2-CB 3.82Å; W115-L142 HydrophobicContact CZ2-CB 4.06Å; W115-W143 HydrophobicContact CB-CE3 3.88Å; W115-W143 HydrophobicContact CB-CZ3 3.53Å; W115-W143 AromaticContact CD2-CE3 3.57Å; W115-W143 HydrophobicContact CD2-CE3 3.57Å; W115-W143 HydrophobicContact CD2-CZ3 4.13Å; W115-W143 HydrophobicContact CE3-CB 4.14Å; W115-W143 HydrophobicContact CE3-CD2 4.31Å; W115-W143 AromaticContact CE3-CE3 3.61Å; W115-W143 HydrophobicContact CE3-CE3 3.61Å; W115-W143 HydrophobicContact CE3-CZ3 4.46Å; W115-W143 AromaticContact CG-CE3 3.68Å; W115-W143 HydrophobicContact CG-CE3 3.68Å; W115-W143 AromaticContact CG-CZ3 3.71Å; W115-W143 HydrophobicContact CG-CZ3 3.71Å; W115-W143 HydrophobicContact CH2-CB 4.15Å; W115-W143 HydrophobicContact CZ3-CB 3.77Å; W115-W143 HydrophobicContact CZ3-CE3 4.4Å; W115-F154 HydrophobicContact CB-CB 4.39Å; W115-F154 HydrophobicContact CB-CD1 3.67Å; W115-F154 HydrophobicContact CB-CD2 4.03Å; W115-F154 HydrophobicContact CB-CE1 3.84Å; W115-F154 HydrophobicContact CB-CE2 4.2Å; W115-F154 HydrophobicContact CB-CG 3.76Å; W115-F154 HydrophobicContact CB-CZ 4.11Å; W115-F154 AromaticContact CD1-CE2 3.54Å; W115-F154 AromaticContact CD1-CZ 3.55Å; W115-F154 HydrophobicContact CG-CD2 4.41Å; W115-F154 HydrophobicContact CG-CE1 4.42Å; W115-F154 HydrophobicContact CG-CE2 4.23Å; W115-F154 HydrophobicContact CG-CZ 4.23Å
116A94.3Very high92.3Very high0 Ų057 Ų570%027%0.27CS..Hα-helixtrans-69-16.2-177.600000112.5F112 V114 R120 L139F112-A116 HydrophobicContact CE1-CB 4.29Å; F112-A116 HydrophobicContact CE2-CB 4.3Å; F112-A116 HydrophobicContact CZ-CB 4.15Å; F112-A116 WeakPolarHBondContact O-CA 3.41Å; F112-A116 WeakPolarHBondContact O-CB 3.31Å; F112-A116 PolarHBondContact O-N 3.48Å; V114-A116 PolarHBondContact O-N 3.31Å; A116-R120 WeakPolarHBondContact O-CB 3.15Å; A116-R120 PolarHBondContact O-N 3.32Å; A116-R120 VanDerWaalsContact O-N 3.07Å; A116-R120 PolarHBondContact O-NH1 3.32Å; A116-L139 HydrophobicContact CB-CD1 4.39Å
117Q92.1Very high91.8Very high63 Ų6352.6 Ų52.629%0.29425%0.253SS..Hα-helixtrans-69-46.9170.5-169.5179.8-67.300110.6M113 V114 W115 R121M113-Q117 PolarHBondContact O-N 2.85Å; M113-Q117 VanDerWaalsContact O-N 3.08Å; V114-Q117 WeakPolarHBondContact O-CB 3.24Å; V114-Q117 PolarHBondContact O-N 3.44Å; W115-Q117 PolarHBondContact O-N 3.3Å; Q117-R121 PolarHBondContact O-N 3.34Å
118A87.9Confident91.3Very high1 Ų150.6 Ų50.61%0.00826%0.259CS..Hα-helixtrans-64.5-51.6176.600000111.7V80 Y84 W115 R120 R121 K122V80-A118 HydrophobicContact CG1-CB 4.03Å; Y84-A118 HydrophobicContact CD1-CB 4.15Å; Y84-A118 HydrophobicContact CD2-CB 3.35Å; Y84-A118 HydrophobicContact CE1-CB 4.36Å; Y84-A118 HydrophobicContact CE2-CB 3.64Å; Y84-A118 HydrophobicContact CG-CB 3.65Å; W115-A118 PolarHBondContact O-N 3.39Å; W115-A118 VanDerWaalsContact O-N 3.13Å; A118-R120 PolarHBondContact O-N 3.49Å; A118-R121 PolarHBondContact O-N 2.81Å; A118-K122 PolarHBondContact O-N 2.99Å
119A89.6Confident90.9Very high2 Ų255.7 Ų55.72%0.01728%0.279CS..Hα-helixtrans-67.1-37.5-175.500000113.2V80 W115 R121 L123 L139V80-A119 HydrophobicContact CG1-CB 3.94Å; V80-A119 HydrophobicContact CG2-CB 3.93Å; W115-A119 HydrophobicContact CD2-CB 4.36Å; W115-A119 HydrophobicContact CH2-CB 4.29Å; W115-A119 HydrophobicContact CZ2-CB 3.94Å; W115-A119 PolarHBondContact O-N 2.87Å; A119-R121 PolarHBondContact O-N 3.26Å; A119-L123 WeakPolarHBondContact O-CG 3.4Å; A119-L123 PolarHBondContact O-N 2.87Å; A119-L123 VanDerWaalsContact O-N 3.12Å; A119-L139 HydrophobicContact CB-CD2 3.33Å
120R92.7Very high90.5Very high53 Ų5356.8 Ų56.820%0.229%0.286CS..Hα-helixtrans-65.2-37177-178.4-179.6-76.8103.4-6.6112.8A116 A118 A124 N132 L135 S136 L139A116-R120 WeakPolarHBondContact O-CB 3.15Å; A116-R120 PolarHBondContact O-N 3.32Å; A116-R120 VanDerWaalsContact O-N 3.07Å; A116-R120 PolarHBondContact O-NH1 3.32Å; A118-R120 PolarHBondContact O-N 3.49Å; R120-A124 VanDerWaalsContact O-CB 3.28Å; R120-A124 WeakPolarHBondContact O-CB 3.49Å; R120-A124 PolarHBondContact O-N 3.29Å; R120-N132 VanDerWaalsContact CD-OD1 3.31Å; R120-N132 WeakPolarHBondContact CD-OD1 3.47Å; R120-L135 HydrophobicContact CG-CD1 4.43Å; R120-S136 PolarHBondContact NH2-OG 2.86Å; R120-L139 HydrophobicContact CB-CD1 3.64Å; R120-L139 HydrophobicContact CG-CD1 4.25Å
121R90.6Very high90.2Very high93 Ų9358.9 Ų58.935%0.35129%0.292SS..Hα-helixtrans-59.6-57.9177.4-175.2168.467.4-151.63.8109.5Q117 A118 A119 L123 A124 D125Q117-R121 PolarHBondContact O-N 3.34Å; A118-R121 PolarHBondContact O-N 2.81Å; A119-R121 PolarHBondContact O-N 3.26Å; R121-L123 VanDerWaalsContact C-N 3.34Å; R121-L123 PolarHBondContact O-N 3.01Å; R121-A124 CarbonylContact O-C 3.6Å; R121-A124 WeakPolarHBondContact O-CA 3.25Å; R121-A124 WeakPolarHBondContact O-CB 3.48Å; R121-A124 PolarHBondContact O-N 3.07Å; R121-D125 VanDerWaalsContact C-OD2 3.25Å; R121-D125 WeakPolarHBondContact CG-OD2 3.45Å; R121-D125 PolarHBondContact O-N 2.83Å
122K87.4Confident89.9Confident35 Ų3562.1 Ų62.115%0.15231%0.308CS..Hα-helixtrans-55.7-42179.4-72.9174.1170.1177.20114Q79 V80 C83 A118 D125 Q126Q79-K122 PolarHBondContact O-NZ 2.96Å; V80-K122 HydrophobicContact CB-CD 4.44Å; V80-K122 HydrophobicContact CG2-CD 4.01Å; V80-K122 PolarHBondContact O-NZ 2.98Å; C83-K122 VanDerWaalsContact O-CE 3.27Å; C83-K122 WeakPolarHBondContact O-CE 3.45Å; C83-K122 PolarHBondContact O-NZ 3.42Å; C83-K122 PolarHBondContact SG-NZ 2.9Å; A118-K122 PolarHBondContact O-N 2.99Å; K122-D125 PolarHBondContact O-N 2.94Å; K122-Q126 WeakPolarHBondContact O-CG 3.25Å; K122-Q126 PolarHBondContact O-N 3.19Å; K122-Q126 VanDerWaalsContact O-N 3.09Å
123L86Confident89.8Confident36 Ų3662.2 Ų62.219%0.18832%0.317CS..Hα-helixtrans-70.1-30.9175.6-68.9175.6000113.4A119 R121 H127 L135 L139A119-L123 WeakPolarHBondContact O-CG 3.4Å; A119-L123 PolarHBondContact O-N 2.87Å; A119-L123 VanDerWaalsContact O-N 3.12Å; R121-L123 VanDerWaalsContact C-N 3.34Å; R121-L123 PolarHBondContact O-N 3.01Å; L123-H127 WeakPolarHBondContact O-CB 3.27Å; L123-H127 PolarHBondContact O-N 2.9Å; L123-L135 HydrophobicContact CB-CD2 4.07Å; L123-L139 HydrophobicContact CD1-CD2 3.79Å; L123-L139 HydrophobicContact CD1-CG 4.08Å
124A88.8Confident89.5Confident30 Ų3061.7 Ų61.725%0.24831%0.313CS..Hα-helixtrans-74.9-34.8174.300000112R120 R121 Q126 H127 P128 L135R120-A124 VanDerWaalsContact O-CB 3.28Å; R120-A124 WeakPolarHBondContact O-CB 3.49Å; R120-A124 PolarHBondContact O-N 3.29Å; R121-A124 CarbonylContact O-C 3.6Å; R121-A124 WeakPolarHBondContact O-CA 3.25Å; R121-A124 WeakPolarHBondContact O-CB 3.48Å; R121-A124 PolarHBondContact O-N 3.07Å; A124-Q126 VanDerWaalsContact C-N 3.35Å; A124-H127 CarbonylContact O-C 3.5Å; A124-H127 VanDerWaalsContact O-C 3.23Å; A124-H127 PolarHBondContact O-N 3.46Å; A124-P128 VanDerWaalsContact O-CA 3.26Å; A124-P128 WeakPolarHBondContact O-CA 3.27Å; A124-L135 HydrophobicContact CB-CD1 3.9Å
125D86.9Confident89.3Confident114 Ų11461.8 Ų61.861%0.6131%0.314SS*.Hα-helixtrans-65.5-39.3175.2-54.5-34.8000110.7R121 K122R121-D125 VanDerWaalsContact C-OD2 3.25Å; R121-D125 WeakPolarHBondContact CG-OD2 3.45Å; R121-D125 PolarHBondContact O-N 2.83Å; K122-D125 PolarHBondContact O-N 2.94Å
126Q85.3Confident89.2Confident114 Ų11463.7 Ų63.753%0.53333%0.327SS..Hα-helixtrans-74.4-34.7173.7-70.9173.3-8.200113.4K122 A124K122-Q126 WeakPolarHBondContact O-CG 3.25Å; K122-Q126 PolarHBondContact O-N 3.19Å; K122-Q126 VanDerWaalsContact O-N 3.09Å; A124-Q126 VanDerWaalsContact C-N 3.35Å
127H83.2Confident89.2Confident74 Ų7469.3 Ų69.334%0.34335%0.351SS..  trans-129.268.8-176.2-59-80.1000112.4L123 A124 H129 L130L123-H127 WeakPolarHBondContact O-CB 3.27Å; L123-H127 PolarHBondContact O-N 2.9Å; A124-H127 CarbonylContact O-C 3.5Å; A124-H127 VanDerWaalsContact O-C 3.23Å; A124-H127 PolarHBondContact O-N 3.46Å; H127-H129 AromaticContact ND1-NE2 3.96Å; H127-H129 PolarHBondContact O-N 3.09Å; H127-L130 HydrophobicContact CB-CB 3.98Å; H127-L130 HydrophobicContact CB-CD1 3.59Å; H127-L130 HydrophobicContact CB-CG 3.76Å; H127-L130 PolarHBondContact O-N 3.43Å
128P85.9Confident89Confident110 Ų11069.5 Ų69.571%0.71436%0.357SS*.THydrogen-bonded Turntrans-64.9-15.6-175.825-35.3000114A124A124-P128 VanDerWaalsContact O-CA 3.26Å; A124-P128 WeakPolarHBondContact O-CA 3.27Å
129H85.8Confident89.3Confident148 Ų14869.4 Ų69.469%0.68536%0.357SS*.THydrogen-bonded Turntrans-86.6-13.4174.454.4-97.5000113.9H127H127-H129 AromaticContact ND1-NE2 3.96Å; H127-H129 PolarHBondContact O-N 3.09Å
130L88.7Confident89.5Confident71 Ų7170.5 Ų70.537%0.37237%0.368SS..SBendtrans-81.3126.6179.8-76.8-177000111.6H127 L135H127-L130 HydrophobicContact CB-CB 3.98Å; H127-L130 HydrophobicContact CB-CD1 3.59Å; H127-L130 HydrophobicContact CB-CG 3.76Å; H127-L130 PolarHBondContact O-N 3.43Å; L130-L135 HydrophobicContact CB-CD2 3.86Å; L130-L135 HydrophobicContact CB-CG 4.34Å; L130-L135 HydrophobicContact CD1-CD2 4.02Å
131H91.5Very high89.4Confident137 Ų13774.9 Ų74.963%0.63439%0.388SS*.  trans-68.3143.4179-170.665.8000112A133 E134 L135H131-A133 PolarHBondContact CD2-N 2.97Å; H131-A133 PolarHBondContact O-N 3.33Å; H131-E134 PolarHBondContact O-N 3.2Å; H131-L135 PolarHBondContact O-N 2.79Å
132N89.4Confident89.4Confident83 Ų8371.8 Ų71.844%0.44438%0.379SS..Hα-helixtrans-58.9-22.1-173.8-96.7-87.4000114.8R120 S136R120-N132 VanDerWaalsContact CD-OD1 3.31Å; R120-N132 WeakPolarHBondContact CD-OD1 3.47Å; N132-S136 VanDerWaalsContact O-CB 3.32Å; N132-S136 WeakPolarHBondContact O-CB 3.4Å; N132-S136 PolarHBondContact O-N 3.02Å; N132-S136 PolarHBondContact O-OG 3Å
133A93.3Very high89.7Confident47 Ų4772.2 Ų72.239%0.38838%0.379SS..Hα-helixtrans-65.8-44171.100000112H131 S136 K137H131-A133 PolarHBondContact CD2-N 2.97Å; H131-A133 PolarHBondContact O-N 3.33Å; A133-S136 PolarHBondContact O-N 2.72Å; A133-K137 WeakPolarHBondContact O-CG 3.38Å; A133-K137 PolarHBondContact O-N 3.02Å
134E91Very high90Very high81 Ų8180.4 Ų80.438%0.37941%0.408SS..Hα-helixtrans-68.5-44.8179.5-55.8-47124.100111.1H131 S136 K137 T138H131-E134 PolarHBondContact O-N 3.2Å; E134-S136 PolarHBondContact O-N 3.2Å; E134-K137 WeakPolarHBondContact O-CB 3.5Å; E134-K137 PolarHBondContact O-N 3.31Å; E134-K137 VanDerWaalsContact OE1-CE 3.28Å; E134-K137 WeakPolarHBondContact OE1-CE 3.47Å; E134-K137 IonicContact OE1-NZ 2.68Å; E134-K137 PolarHBondContact OE1-NZ 3.33Å; E134-K137 WeakPolarHBondContact OE2-CD 3.46Å; E134-K137 VanDerWaalsContact OE2-CE 3.3Å; E134-K137 WeakPolarHBondContact OE2-CE 3.29Å; E134-K137 IonicContact OE2-NZ 3.78Å; E134-K137 PolarHBondContact OE2-NZ 2.9Å; E134-T138 PolarHBondContact O-N 2.76Å; E134-T138 PolarHBondContact O-OG1 3.48Å
135L89.6Confident90.1Very high4 Ų482.1 Ų82.12%0.02141%0.412CS..Hα-helixtrans-52.9-43.8170.8-59-175000110.8R120 L123 A124 L130 H131 K137 T138 L139R120-L135 HydrophobicContact CG-CD1 4.43Å; L123-L135 HydrophobicContact CB-CD2 4.07Å; A124-L135 HydrophobicContact CB-CD1 3.9Å; L130-L135 HydrophobicContact CB-CD2 3.86Å; L130-L135 HydrophobicContact CB-CG 4.34Å; L130-L135 HydrophobicContact CD1-CD2 4.02Å; H131-L135 PolarHBondContact O-N 2.79Å; L135-K137 PolarHBondContact O-N 3.23Å; L135-T138 PolarHBondContact O-N 2.8Å; L135-L139 WeakPolarHBondContact O-CB 3.48Å; L135-L139 WeakPolarHBondContact O-CD1 3.46Å; L135-L139 WeakPolarHBondContact O-CG 3.22Å; L135-L139 PolarHBondContact O-N 3.22Å
136S93.7Very high90.1Very high41 Ų4177 Ų7729%0.28739%0.385SS..Hα-helixtrans-69.1-28.5179.1-57.60000113.8R120 N132 A133 E134 G140R120-S136 PolarHBondContact NH2-OG 2.86Å; N132-S136 VanDerWaalsContact O-CB 3.32Å; N132-S136 WeakPolarHBondContact O-CB 3.4Å; N132-S136 PolarHBondContact O-N 3.02Å; N132-S136 PolarHBondContact O-OG 3Å; A133-S136 PolarHBondContact O-N 2.72Å; E134-S136 PolarHBondContact O-N 3.2Å; S136-G140 PolarHBondContact O-N 3.44Å
137K92.7Very high90.5Very high118 Ų11873.9 Ų73.951%0.51337%0.372SS..Hα-helixtrans-67.7-47.4170.1-65.3176.6-157.4165.50111A133 E134 L135 G140 K141A133-K137 WeakPolarHBondContact O-CG 3.38Å; A133-K137 PolarHBondContact O-N 3.02Å; E134-K137 WeakPolarHBondContact O-CB 3.5Å; E134-K137 PolarHBondContact O-N 3.31Å; E134-K137 VanDerWaalsContact OE1-CE 3.28Å; E134-K137 WeakPolarHBondContact OE1-CE 3.47Å; E134-K137 IonicContact OE1-NZ 2.68Å; E134-K137 PolarHBondContact OE1-NZ 3.33Å; E134-K137 WeakPolarHBondContact OE2-CD 3.46Å; E134-K137 VanDerWaalsContact OE2-CE 3.3Å; E134-K137 WeakPolarHBondContact OE2-CE 3.29Å; E134-K137 IonicContact OE2-NZ 3.78Å; E134-K137 PolarHBondContact OE2-NZ 2.9Å; L135-K137 PolarHBondContact O-N 3.23Å; K137-G140 PolarHBondContact O-N 3.16Å; K137-K141 PolarHBondContact O-N 3.05Å; K137-K141 VanDerWaalsContact O-N 3.13Å
138T89.7Confident91Very high67 Ų6775.3 Ų75.341%0.41138%0.379SS..Hα-helixtrans-62.2-46.6179-60.20000111.1E134 L135 G140 K141 L142E134-T138 PolarHBondContact O-N 2.76Å; E134-T138 PolarHBondContact O-OG1 3.48Å; L135-T138 PolarHBondContact O-N 2.8Å; T138-G140 VanDerWaalsContact C-N 3.3Å; T138-G140 PolarHBondContact O-N 2.87Å; T138-K141 WeakPolarHBondContact O-CB 3.44Å; T138-K141 PolarHBondContact O-N 2.96Å; T138-L142 HydrophobicContact CG2-CD1 4.06Å; T138-L142 HydrophobicContact CG2-CG 4.46Å; T138-L142 WeakPolarHBondContact O-CG 3.4Å; T138-L142 PolarHBondContact O-N 3.37Å
139L92.5Very high91.2Very high0 Ų072.7 Ų72.70%036%0.363CS..Hα-helixtrans-58.8-39.8174.1-69.5167.8000112.4W115 A116 A119 R120 L123 L135 K141 L142 W143W115-L139 HydrophobicContact CH2-CB 3.98Å; W115-L139 HydrophobicContact CH2-CD2 3.47Å; W115-L139 VanDerWaalsContact CH2-CD2 3.47Å; W115-L139 HydrophobicContact CH2-CG 4.35Å; W115-L139 VanDerWaalsContact CH2-O 3.29Å; W115-L139 WeakPolarHBondContact CH2-O 3.4Å; W115-L139 HydrophobicContact CZ2-CD2 4.16Å; W115-L139 HydrophobicContact CZ3-CB 3.85Å; W115-L139 HydrophobicContact CZ3-CD2 3.82Å; W115-L139 HydrophobicContact CZ3-CG 4.44Å; W115-L139 WeakPolarHBondContact CZ3-O 3.35Å; A116-L139 HydrophobicContact CB-CD1 4.39Å; A119-L139 HydrophobicContact CB-CD2 3.33Å; R120-L139 HydrophobicContact CB-CD1 3.64Å; R120-L139 HydrophobicContact CG-CD1 4.25Å; L123-L139 HydrophobicContact CD1-CD2 3.79Å; L123-L139 HydrophobicContact CD1-CG 4.08Å; L135-L139 WeakPolarHBondContact O-CB 3.48Å; L135-L139 WeakPolarHBondContact O-CD1 3.46Å; L135-L139 WeakPolarHBondContact O-CG 3.22Å; L135-L139 PolarHBondContact O-N 3.22Å; L139-K141 VanDerWaalsContact C-N 3.26Å; L139-K141 PolarHBondContact O-N 3.02Å; L139-L142 PolarHBondContact O-N 3.27Å; L139-W143 PolarHBondContact O-N 3.15Å
140G94.6Very high91.4Very high24 Ų2467.6 Ų67.625%0.24734%0.341CS..Hα-helixtrans-65.7-23.2174.700000114.7S136 K137 T138 R144S136-G140 PolarHBondContact O-N 3.44Å; K137-G140 PolarHBondContact O-N 3.16Å; T138-G140 VanDerWaalsContact C-N 3.3Å; T138-G140 PolarHBondContact O-N 2.87Å; G140-R144 WeakPolarHBondContact O-CD 3.16Å; G140-R144 WeakPolarHBondContact O-CG 3.31Å
141K91.2Very high91.5Very high145 Ų14565.7 Ų65.763%0.6333%0.329SS*.Hα-helixtrans-78.9-52.8169.3-65.7177.3179.8-178.80110.7K137 T138 L139 W143 R144 L145K137-K141 PolarHBondContact O-N 3.05Å; K137-K141 VanDerWaalsContact O-N 3.13Å; T138-K141 WeakPolarHBondContact O-CB 3.44Å; T138-K141 PolarHBondContact O-N 2.96Å; L139-K141 VanDerWaalsContact C-N 3.26Å; L139-K141 PolarHBondContact O-N 3.02Å; K141-W143 PolarHBondContact O-N 2.88Å; K141-R144 WeakPolarHBondContact O-CB 3.46Å; K141-R144 PolarHBondContact O-N 3.5Å; K141-L145 PolarHBondContact O-N 2.91Å
142L91.1Very high91.7Very high29 Ų2965.9 Ų65.915%0.15233%0.325CS..Hα-helixtrans-55-47-178-67.7169.2000111.8I73 W115 T138 L139 R144 L145 L146I73-L142 HydrophobicContact CB-CD2 4.27Å; I73-L142 HydrophobicContact CD1-CD2 4.31Å; I73-L142 HydrophobicContact CG1-CD2 3.91Å; I73-L142 HydrophobicContact CG2-CD2 3.78Å; W115-L142 HydrophobicContact CH2-CB 3.82Å; W115-L142 HydrophobicContact CZ2-CB 4.06Å; T138-L142 HydrophobicContact CG2-CD1 4.06Å; T138-L142 HydrophobicContact CG2-CG 4.46Å; T138-L142 WeakPolarHBondContact O-CG 3.4Å; T138-L142 PolarHBondContact O-N 3.37Å; L139-L142 PolarHBondContact O-N 3.27Å; L142-R144 PolarHBondContact O-N 3Å; L142-R144 VanDerWaalsContact O-N 3.17Å; L142-L145 CarbonylContact O-C 3.58Å; L142-L145 WeakPolarHBondContact O-CA 3.38Å; L142-L145 PolarHBondContact O-N 2.86Å; L142-L146 PolarHBondContact O-N 3.21Å; L142-L146 VanDerWaalsContact O-N 3.17Å
143W93.3Very high91.9Very high44 Ų4464.4 Ų64.417%0.16732%0.319CS..G310 helixtrans-59.4-29178.3178.7-95.1000114.5A111 F112 W115 L139 K141 L145 L146 K151 F154A111-W143 HydrophobicContact CB-CH2 3.76Å; A111-W143 HydrophobicContact CB-CZ2 3.88Å; F112-W143 HydrophobicContact CB-CD2 4.25Å; F112-W143 HydrophobicContact CD2-CB 3.69Å; F112-W143 AromaticContact CD2-CD1 3.9Å; F112-W143 AromaticContact CD2-CD2 3.89Å; F112-W143 HydrophobicContact CD2-CD2 3.89Å; F112-W143 HydrophobicContact CD2-CE3 4.45Å; F112-W143 AromaticContact CD2-CG 3.52Å; F112-W143 HydrophobicContact CD2-CG 3.52Å; F112-W143 HydrophobicContact CE2-CB 3.9Å; F112-W143 HydrophobicContact CE2-CG 4.23Å; F112-W143 HydrophobicContact CG-CG 4.48Å; W115-W143 HydrophobicContact CB-CE3 3.88Å; W115-W143 HydrophobicContact CB-CZ3 3.53Å; W115-W143 AromaticContact CD2-CE3 3.57Å; W115-W143 HydrophobicContact CD2-CE3 3.57Å; W115-W143 HydrophobicContact CD2-CZ3 4.13Å; W115-W143 HydrophobicContact CE3-CB 4.14Å; W115-W143 HydrophobicContact CE3-CD2 4.31Å; W115-W143 AromaticContact CE3-CE3 3.61Å; W115-W143 HydrophobicContact CE3-CE3 3.61Å; W115-W143 HydrophobicContact CE3-CZ3 4.46Å; W115-W143 AromaticContact CG-CE3 3.68Å; W115-W143 HydrophobicContact CG-CE3 3.68Å; W115-W143 AromaticContact CG-CZ3 3.71Å; W115-W143 HydrophobicContact CG-CZ3 3.71Å; W115-W143 HydrophobicContact CH2-CB 4.15Å; W115-W143 HydrophobicContact CZ3-CB 3.77Å; W115-W143 HydrophobicContact CZ3-CE3 4.4Å; L139-W143 PolarHBondContact O-N 3.15Å; K141-W143 PolarHBondContact O-N 2.88Å; W143-L145 VanDerWaalsContact C-N 3.32Å; W143-L146 HydrophobicContact CD2-CD1 4.03Å; W143-L146 HydrophobicContact CE3-CD1 3.34Å; W143-L146 HydrophobicContact CZ3-CD1 3.76Å; W143-K151 HydrophobicContact CH2-CB 3.94Å; W143-K151 HydrophobicContact CH2-CG 3.77Å; W143-K151 HydrophobicContact CZ2-CB 4.27Å; W143-K151 HydrophobicContact CZ2-CD 4.45Å; W143-K151 HydrophobicContact CZ2-CG 3.87Å; W143-K151 HydrophobicContact CZ3-CG 4.15Å; W143-K151 WeakPolarHBondContact O-CE 3.44Å; W143-F154 HydrophobicContact CH2-CB 4.09Å; W143-F154 HydrophobicContact CZ3-CB 4.27Å; W143-F154 HydrophobicContact CZ3-CD2 4.17Å; W143-F154 HydrophobicContact CZ3-CG 4.4Å
144R92.9Very high91.9Very high208 Ų20862.2 Ų62.279%0.78530%0.301SS*.G310 helixtrans-77.3-21.6176.7-67173.9179.2-171.8-1.5112.6G140 K141 L142G140-R144 WeakPolarHBondContact O-CD 3.16Å; G140-R144 WeakPolarHBondContact O-CG 3.31Å; K141-R144 WeakPolarHBondContact O-CB 3.46Å; K141-R144 PolarHBondContact O-N 3.5Å; L142-R144 PolarHBondContact O-N 3Å; L142-R144 VanDerWaalsContact O-N 3.17Å
145L89.9Confident92Very high65 Ų6561.4 Ų61.434%0.3430%0.299SS..G310 helixtrans-100.75-178.8-62.4170.1000112.3F69 I73 K141 L142 W143F69-L145 HydrophobicContact CD1-CB 4.23Å; F69-L145 HydrophobicContact CD1-CD2 4.2Å; F69-L145 WeakPolarHBondContact CD1-O 3.49Å; F69-L145 HydrophobicContact CE1-CD2 4.21Å; I73-L145 HydrophobicContact CD1-CD1 3.57Å; I73-L145 HydrophobicContact CG2-CB 4.21Å; K141-L145 PolarHBondContact O-N 2.91Å; L142-L145 CarbonylContact O-C 3.58Å; L142-L145 WeakPolarHBondContact O-CA 3.38Å; L142-L145 PolarHBondContact O-N 2.86Å; W143-L145 VanDerWaalsContact C-N 3.32Å
146L87.9Confident92.3Very high7 Ų767.1 Ų67.14%0.03733%0.326CS..SBendtrans-75.5144168.8-75.5176.1000111.5V77 L142 W143 D150 K151V77-L146 HydrophobicContact CB-CD2 3.92Å; V77-L146 HydrophobicContact CG1-CD2 3.34Å; V77-L146 HydrophobicContact CG2-CD2 3.38Å; V77-L146 HydrophobicContact CG2-CG 4.44Å; L142-L146 PolarHBondContact O-N 3.21Å; L142-L146 VanDerWaalsContact O-N 3.17Å; W143-L146 HydrophobicContact CD2-CD1 4.03Å; W143-L146 HydrophobicContact CE3-CD1 3.34Å; W143-L146 HydrophobicContact CZ3-CD1 3.76Å; L146-D150 HydrophobicContact CD2-CB 4.04Å; L146-K151 HydrophobicContact CB-CD 4.35Å; L146-K151 HydrophobicContact CB-CG 3.92Å; L146-K151 HydrophobicContact CD1-CG 4.13Å; L146-K151 WeakPolarHBondContact O-CE 3.37Å; L146-K151 PolarHBondContact O-NZ 2.66Å
147N93.8Very high92.3Very high48 Ų4866.6 Ų66.626%0.25732%0.318SS..  trans-73.7160.1168.9-72-20.7000111.1S149 D150 K151N147-S149 VanDerWaalsContact C-N 3.25Å; N147-S149 VanDerWaalsContact CB-OG 3.29Å; N147-S149 WeakPolarHBondContact CB-OG 3.22Å; N147-S149 PolarHBondContact O-N 2.7Å; N147-D150 WeakPolarHBondContact CB-OD2 3.44Å; N147-D150 PolarHBondContact N-OD2 3.14Å; N147-D150 VanDerWaalsContact N-OD2 3.14Å; N147-D150 PolarHBondContact O-N 3.36Å; N147-D150 VanDerWaalsContact O-N 3.09Å; N147-K151 WeakPolarHBondContact O-CG 3.35Å; N147-K151 PolarHBondContact O-N 3.15Å; N147-K151 VanDerWaalsContact O-N 3.15Å
148E91.6Very high92.4Very high104 Ų10461.3 Ų61.349%0.48630%0.297SS..Hα-helixtrans-73.8-18.8-179.3-150.760.5-147.800112.8D150 K151 R152 I155E148-D150 VanDerWaalsContact C-N 3.34Å; E148-K151 WeakPolarHBondContact OE2-CD 3.38Å; E148-K151 IonicContact OE2-NZ 2.7Å; E148-K151 PolarHBondContact OE2-NZ 3.28Å; E148-R152 WeakPolarHBondContact O-CB 3.34Å; E148-R152 WeakPolarHBondContact O-CG 3.48Å; E148-R152 PolarHBondContact O-N 3.06Å; E148-R152 PolarHBondContact O-NE 3.08Å; E148-I155 VanDerWaalsContact OE1-CD1 3.26Å; E148-I155 WeakPolarHBondContact OE1-CD1 3.46Å
149S90.4Very high92.8Very high56 Ų5661.4 Ų61.439%0.39229%0.293SS..Hα-helixtrans-56-46.6161.643.20000112.1N147 P153N147-S149 VanDerWaalsContact C-N 3.25Å; N147-S149 VanDerWaalsContact CB-OG 3.29Å; N147-S149 WeakPolarHBondContact CB-OG 3.22Å; N147-S149 PolarHBondContact O-N 2.7Å; S149-P153 WeakPolarHBondContact O-CD 3.26Å
150D89.8Confident93Very high41 Ų4166.1 Ų66.122%0.21931%0.31CS..Hα-helixtrans-83.2-28.3-168.3-37-21.8000110.6L146 N147 E148 F154L146-D150 HydrophobicContact CD2-CB 4.04Å; N147-D150 WeakPolarHBondContact CB-OD2 3.44Å; N147-D150 PolarHBondContact N-OD2 3.14Å; N147-D150 VanDerWaalsContact N-OD2 3.14Å; N147-D150 PolarHBondContact O-N 3.36Å; N147-D150 VanDerWaalsContact O-N 3.09Å; E148-D150 VanDerWaalsContact C-N 3.34Å; D150-F154 VanDerWaalsContact O-CD2 3.22Å; D150-F154 WeakPolarHBondContact O-CD2 3.46Å; D150-F154 WeakPolarHBondContact O-CE2 3.46Å
151K92.4Very high93Very high30 Ų3065.3 Ų65.313%0.1330%0.301CS..Hα-helixtrans-75.1-34.1173.1-66.4158.2179.41470112.8W143 L146 N147 E148 F154 I155W143-K151 HydrophobicContact CH2-CB 3.94Å; W143-K151 HydrophobicContact CH2-CG 3.77Å; W143-K151 HydrophobicContact CZ2-CB 4.27Å; W143-K151 HydrophobicContact CZ2-CD 4.45Å; W143-K151 HydrophobicContact CZ2-CG 3.87Å; W143-K151 HydrophobicContact CZ3-CG 4.15Å; W143-K151 WeakPolarHBondContact O-CE 3.44Å; L146-K151 HydrophobicContact CB-CD 4.35Å; L146-K151 HydrophobicContact CB-CG 3.92Å; L146-K151 HydrophobicContact CD1-CG 4.13Å; L146-K151 WeakPolarHBondContact O-CE 3.37Å; L146-K151 PolarHBondContact O-NZ 2.66Å; N147-K151 WeakPolarHBondContact O-CG 3.35Å; N147-K151 PolarHBondContact O-N 3.15Å; N147-K151 VanDerWaalsContact O-N 3.15Å; E148-K151 WeakPolarHBondContact OE2-CD 3.38Å; E148-K151 IonicContact OE2-NZ 2.7Å; E148-K151 PolarHBondContact OE2-NZ 3.28Å; K151-F154 WeakPolarHBondContact O-CA 3.04Å; K151-F154 WeakPolarHBondContact O-CB 3.47Å; K151-F154 PolarHBondContact O-N 3.22Å; K151-I155 HydrophobicContact CB-CD1 3.83Å; K151-I155 HydrophobicContact CB-CG1 4.41Å; K151-I155 WeakPolarHBondContact O-CG1 3.16Å; K151-I155 PolarHBondContact O-N 2.89Å
152R94.5Very high93.2Very high142 Ų14265.5 Ų65.554%0.53630%0.297SS..Hα-helixtrans-43.4-55.4-177-106.4179.9-85.9170.6-9114.4E148 F154 I155 E156E148-R152 WeakPolarHBondContact O-CB 3.34Å; E148-R152 WeakPolarHBondContact O-CG 3.48Å; E148-R152 PolarHBondContact O-N 3.06Å; E148-R152 PolarHBondContact O-NE 3.08Å; R152-F154 VanDerWaalsContact C-N 3.25Å; R152-F154 PolarHBondContact O-N 3.38Å; R152-I155 WeakPolarHBondContact O-CA 3.07Å; R152-I155 WeakPolarHBondContact O-CB 3.48Å; R152-I155 PolarHBondContact O-N 2.9Å; R152-E156 WeakPolarHBondContact O-CG 3.45Å; R152-E156 PolarHBondContact O-N 3.44Å
153P93.6Very high93.5Very high51 Ų5171.1 Ų71.133%0.33132%0.321SS..Hα-helixtrans-59.5-33.4179.522-34.1000113.4W86 S149 E157W86-P153 HydrophobicContact CH2-CB 4.44Å; S149-P153 WeakPolarHBondContact O-CD 3.26Å; P153-E157 VanDerWaalsContact O-CB 3.27Å; P153-E157 WeakPolarHBondContact O-CB 2.93Å; P153-E157 PolarHBondContact O-N 2.99Å
154F92.8Very high93.5Very high2 Ų271.8 Ų71.81%0.00933%0.325CS..Hα-helixtrans-77.3-28.2175.7-56.5-73.4000113.2L81 W86 A111 V114 W115 W143 D150 K151 R152 A158L81-F154 HydrophobicContact CD2-CE2 3.79Å; L81-F154 HydrophobicContact CD2-CZ 3.5Å; L81-F154 HydrophobicContact CG-CZ 4.45Å; W86-F154 HydrophobicContact CH2-CD1 4.05Å; W86-F154 AromaticContact CH2-CE1 3.38Å; W86-F154 HydrophobicContact CH2-CE1 3.38Å; W86-F154 HydrophobicContact CH2-CE2 4.41Å; W86-F154 AromaticContact CH2-CZ 3.59Å; W86-F154 HydrophobicContact CH2-CZ 3.59Å; W86-F154 HydrophobicContact CZ2-CZ 4.47Å; W86-F154 AromaticContact CZ3-CD1 3.96Å; W86-F154 HydrophobicContact CZ3-CD1 3.96Å; W86-F154 AromaticContact CZ3-CE1 3.6Å; W86-F154 HydrophobicContact CZ3-CE1 3.6Å; W86-F154 HydrophobicContact CZ3-CZ 4.29Å; A111-F154 WeakPolarHBondContact CA-O 3.45Å; A111-F154 HydrophobicContact CB-CB 4.23Å; A111-F154 WeakPolarHBondContact CB-O 3.36Å; V114-F154 HydrophobicContact CB-CD1 4.43Å; V114-F154 HydrophobicContact CG1-CD1 4.03Å; W115-F154 HydrophobicContact CB-CB 4.39Å; W115-F154 HydrophobicContact CB-CD1 3.67Å; W115-F154 HydrophobicContact CB-CD2 4.03Å; W115-F154 HydrophobicContact CB-CE1 3.84Å; W115-F154 HydrophobicContact CB-CE2 4.2Å; W115-F154 HydrophobicContact CB-CG 3.76Å; W115-F154 HydrophobicContact CB-CZ 4.11Å; W115-F154 AromaticContact CD1-CE2 3.54Å; W115-F154 AromaticContact CD1-CZ 3.55Å; W115-F154 HydrophobicContact CG-CD2 4.41Å; W115-F154 HydrophobicContact CG-CE1 4.42Å; W115-F154 HydrophobicContact CG-CE2 4.23Å; W115-F154 HydrophobicContact CG-CZ 4.23Å; W143-F154 HydrophobicContact CH2-CB 4.09Å; W143-F154 HydrophobicContact CZ3-CB 4.27Å; W143-F154 HydrophobicContact CZ3-CD2 4.17Å; W143-F154 HydrophobicContact CZ3-CG 4.4Å; D150-F154 VanDerWaalsContact O-CD2 3.22Å; D150-F154 WeakPolarHBondContact O-CD2 3.46Å; D150-F154 WeakPolarHBondContact O-CE2 3.46Å; K151-F154 WeakPolarHBondContact O-CA 3.04Å; K151-F154 WeakPolarHBondContact O-CB 3.47Å; K151-F154 PolarHBondContact O-N 3.22Å; R152-F154 VanDerWaalsContact C-N 3.25Å; R152-F154 PolarHBondContact O-N 3.38Å; F154-A158 WeakPolarHBondContact O-CB 3.27Å; F154-A158 PolarHBondContact O-N 3.09Å
155I95Very high93.7Very high63 Ų6362.3 Ų62.332%0.32329%0.29SS..Hα-helixtrans-71.2-46.5173.5-66.4166.3000109.8A111 E148 K151 R152 A158 E159A111-I155 HydrophobicContact CB-CB 4.4Å; A111-I155 HydrophobicContact CB-CG1 3.74Å; E148-I155 VanDerWaalsContact OE1-CD1 3.26Å; E148-I155 WeakPolarHBondContact OE1-CD1 3.46Å; K151-I155 HydrophobicContact CB-CD1 3.83Å; K151-I155 HydrophobicContact CB-CG1 4.41Å; K151-I155 WeakPolarHBondContact O-CG1 3.16Å; K151-I155 PolarHBondContact O-N 2.89Å; R152-I155 WeakPolarHBondContact O-CA 3.07Å; R152-I155 WeakPolarHBondContact O-CB 3.48Å; R152-I155 PolarHBondContact O-N 2.9Å; I155-A158 PolarHBondContact O-N 3.46Å; I155-E159 PolarHBondContact O-N 3.14Å
156E95.7Very high94Very high125 Ų12567 Ų6758%0.58431%0.308SS*.Hα-helixtrans-61.3-47.1176-71164.7-143.400111.3R152 A158 E159 R160R152-E156 WeakPolarHBondContact O-CG 3.45Å; R152-E156 PolarHBondContact O-N 3.44Å; E156-A158 PolarHBondContact O-N 2.85Å; E156-E159 PolarHBondContact O-N 3Å; E156-R160 WeakPolarHBondContact O-CB 2.98Å; E156-R160 PolarHBondContact O-N 3.09Å
157E92.4Very high94.3Very high29 Ų2974.6 Ų74.614%0.13634%0.341CS..Hα-helixtrans-64.6-38.3175.7177.153.7-158.100112.4V89 V114 P153 R160 L161V89-E157 HydrophobicContact CG1-CG 4.21Å; V89-E157 WeakPolarHBondContact CG1-OE1 3.33Å; V89-E157 HydrophobicContact CG2-CG 4.4Å; V114-E157 HydrophobicContact CG1-CG 3.99Å; P153-E157 VanDerWaalsContact O-CB 3.27Å; P153-E157 WeakPolarHBondContact O-CB 2.93Å; P153-E157 PolarHBondContact O-N 2.99Å; E157-R160 WeakPolarHBondContact O-CB 3.46Å; E157-R160 PolarHBondContact O-N 3.44Å; E157-R160 IonicContact OE1-CZ 3.48Å; E157-R160 IonicContact OE1-NE 3.54Å; E157-R160 PolarHBondContact OE1-NE 3.46Å; E157-R160 IonicContact OE1-NH2 2.7Å; E157-R160 PolarHBondContact OE1-NH2 3.44Å; E157-R160 IonicContact OE2-CZ 3.48Å; E157-R160 IonicContact OE2-NE 2.71Å; E157-R160 PolarHBondContact OE2-NE 3.49Å; E157-R160 IonicContact OE2-NH2 3.42Å; E157-R160 PolarHBondContact OE2-NH2 3.49Å; E157-L161 HydrophobicContact CG-CD1 4.32Å; E157-L161 WeakPolarHBondContact O-CB 3.39Å; E157-L161 VanDerWaalsContact O-CG 3.31Å; E157-L161 WeakPolarHBondContact O-CG 3.17Å; E157-L161 PolarHBondContact O-N 2.74Å; E157-L161 WeakPolarHBondContact OE1-CG 3.2Å
158A95.2Very high94.3Very high8 Ų875.5 Ų75.57%0.06635%0.345CS..Hα-helixtrans-66.6-38.1174.900000112.7A111 V114 F154 I155 E156 L161 R162A111-A158 HydrophobicContact CB-CB 4.16Å; A111-A158 VanDerWaalsContact N-CB 3.25Å; V114-A158 HydrophobicContact CG2-CB 4.4Å; F154-A158 WeakPolarHBondContact O-CB 3.27Å; F154-A158 PolarHBondContact O-N 3.09Å; I155-A158 PolarHBondContact O-N 3.46Å; E156-A158 PolarHBondContact O-N 2.85Å; A158-L161 PolarHBondContact O-N 3.07Å; A158-R162 VanDerWaalsContact O-CB 3.27Å; A158-R162 WeakPolarHBondContact O-CB 3.41Å; A158-R162 PolarHBondContact O-N 2.99Å
159E97.2Very high94.4Very high69 Ų6974 Ų7432%0.32234%0.336SS..Hα-helixtrans-70.6-33.9172.3-80.8-60.2131.100112.2I155 E156 R162 K163I155-E159 PolarHBondContact O-N 3.14Å; E156-E159 PolarHBondContact O-N 3Å; E159-R162 PolarHBondContact O-N 3.13Å; E159-R162 WeakPolarHBondContact OE1-CD 3.34Å; E159-R162 IonicContact OE1-CZ 2.66Å; E159-R162 IonicContact OE1-NE 2.66Å; E159-R162 IonicContact OE1-NH1 2.93Å; E159-R162 PolarHBondContact OE1-NH1 2.94Å; E159-R162 WeakPolarHBondContact OE2-CD 3.29Å; E159-R162 IonicContact OE2-NH1 3.99Å; E159-R162 PolarHBondContact OE2-NH1 3.25Å; E159-K163 WeakPolarHBondContact O-CB 3.35Å; E159-K163 WeakPolarHBondContact O-CG 3.49Å; E159-K163 PolarHBondContact O-N 3.2Å
160R96.9Very high94.6Very high98 Ų9876 Ų7637%0.3735%0.348SS..Hα-helixtrans-60.6-50.2169.9-167.7-167.170.496.7-1.3110.7M91 E156 E157 R162 K163 Q164M91-R160 PolarHBondContact SD-NH1 3.37Å; E156-R160 WeakPolarHBondContact O-CB 2.98Å; E156-R160 PolarHBondContact O-N 3.09Å; E157-R160 WeakPolarHBondContact O-CB 3.46Å; E157-R160 PolarHBondContact O-N 3.44Å; E157-R160 IonicContact OE1-CZ 3.48Å; E157-R160 IonicContact OE1-NE 3.54Å; E157-R160 PolarHBondContact OE1-NE 3.46Å; E157-R160 IonicContact OE1-NH2 2.7Å; E157-R160 PolarHBondContact OE1-NH2 3.44Å; E157-R160 IonicContact OE2-CZ 3.48Å; E157-R160 IonicContact OE2-NE 2.71Å; E157-R160 PolarHBondContact OE2-NE 3.49Å; E157-R160 IonicContact OE2-NH2 3.42Å; E157-R160 PolarHBondContact OE2-NH2 3.49Å; R160-R162 VanDerWaalsContact C-N 3.3Å; R160-R162 PolarHBondContact O-N 3.08Å; R160-K163 PolarHBondContact O-N 3.23Å; R160-Q164 VanDerWaalsContact O-CB 3.25Å; R160-Q164 WeakPolarHBondContact O-CB 3.17Å; R160-Q164 PolarHBondContact O-N 3.12Å
161L94.8Very high94.8Very high8 Ų881.4 Ų81.44%0.04238%0.376CS..Hα-helixtrans-60.2-37.8175.3-71.5171.2000112.1V89 M91 M109 V114 E157 A158 H165V89-L161 HydrophobicContact CG1-CD1 3.98Å; M91-L161 HydrophobicContact CG-CD2 4.4Å; M109-L161 HydrophobicContact CB-CD1 4.3Å; M109-L161 HydrophobicContact CE-CD1 4.14Å; V114-L161 HydrophobicContact CG2-CD1 3.87Å; E157-L161 HydrophobicContact CG-CD1 4.32Å; E157-L161 WeakPolarHBondContact O-CB 3.39Å; E157-L161 VanDerWaalsContact O-CG 3.31Å; E157-L161 WeakPolarHBondContact O-CG 3.17Å; E157-L161 PolarHBondContact O-N 2.74Å; E157-L161 WeakPolarHBondContact OE1-CG 3.2Å; A158-L161 PolarHBondContact O-N 3.07Å; L161-H165 WeakPolarHBondContact O-CB 3.18Å; L161-H165 PolarHBondContact O-N 2.8Å
162R95.9Very high94.9Very high148 Ų14883.1 Ų83.156%0.55838%0.383SS*.Hα-helixtrans-68-46.1176.5-174.8-171.4178.9-167.5-4.2112.3A158 E159 R160 H165 K166A158-R162 VanDerWaalsContact O-CB 3.27Å; A158-R162 WeakPolarHBondContact O-CB 3.41Å; A158-R162 PolarHBondContact O-N 2.99Å; E159-R162 PolarHBondContact O-N 3.13Å; E159-R162 WeakPolarHBondContact OE1-CD 3.34Å; E159-R162 IonicContact OE1-CZ 2.66Å; E159-R162 IonicContact OE1-NE 2.66Å; E159-R162 IonicContact OE1-NH1 2.93Å; E159-R162 PolarHBondContact OE1-NH1 2.94Å; E159-R162 WeakPolarHBondContact OE2-CD 3.29Å; E159-R162 IonicContact OE2-NH1 3.99Å; E159-R162 PolarHBondContact OE2-NH1 3.25Å; R160-R162 VanDerWaalsContact C-N 3.3Å; R160-R162 PolarHBondContact O-N 3.08Å; R162-H165 PolarHBondContact O-N 3.02Å; R162-K166 PolarHBondContact O-N 3.06Å
163K96.5Very high94.9Very high148 Ų14884.3 Ų84.364%0.64339%0.392SS*.Hα-helixtrans-61.6-48.2175.7-73.1168.7-177178.60110.7E159 R160 H165 K166 K167E159-K163 WeakPolarHBondContact O-CB 3.35Å; E159-K163 WeakPolarHBondContact O-CG 3.49Å; E159-K163 PolarHBondContact O-N 3.2Å; R160-K163 PolarHBondContact O-N 3.23Å; K163-H165 PolarHBondContact O-N 3.23Å; K163-K166 PolarHBondContact O-N 3.1Å; K163-K167 PolarHBondContact O-N 2.86Å
164Q94.5Very high94.9Very high57 Ų5787.3 Ų87.327%0.26640%0.397SS..Hα-helixtrans-58.5-47.8175.3-177.162.835.800111.4M91 R160 K166 K167 D168M91-Q164 HydrophobicContact CE-CG 3.78Å; R160-Q164 VanDerWaalsContact O-CB 3.25Å; R160-Q164 WeakPolarHBondContact O-CB 3.17Å; R160-Q164 PolarHBondContact O-N 3.12Å; Q164-K166 VanDerWaalsContact C-N 3.3Å; Q164-K166 PolarHBondContact O-N 2.98Å; Q164-K167 WeakPolarHBondContact O-CA 3.31Å; Q164-K167 WeakPolarHBondContact O-CB 3.49Å; Q164-K167 PolarHBondContact O-N 3.49Å; Q164-D168 WeakPolarHBondContact CG-OD2 3.35Å; Q164-D168 PolarHBondContact NE2-OD1 2.86Å; Q164-D168 PolarHBondContact NE2-OD2 3.34Å; Q164-D168 PolarHBondContact O-N 3.07Å
165H96.2Very high94.8Very high10 Ų1094.7 Ų94.75%0.04643%0.431CS..Hα-helixtrans-61.3-36.6178.5-169.186.9000113.2V105 K106 P108 L161 R162 K163 K167 Y169 Y172V105-H165 WeakPolarHBondContact CG1-CE1 3.27Å; K106-H165 PolarHBondContact O-CE1 3.12Å; P108-H165 HydrophobicContact CB-CB 3.99Å; P108-H165 HydrophobicContact CG-CB 4.15Å; L161-H165 WeakPolarHBondContact O-CB 3.18Å; L161-H165 PolarHBondContact O-N 2.8Å; R162-H165 PolarHBondContact O-N 3.02Å; K163-H165 PolarHBondContact O-N 3.23Å; H165-K167 VanDerWaalsContact C-N 3.32Å; H165-Y169 AromaticContact CE1-CD2 3.55Å; H165-Y169 AromaticContact CE1-CE2 3.98Å; H165-Y169 AromaticContact ND1-CD2 3.64Å; H165-Y169 AromaticContact ND1-CE2 3.98Å; H165-Y169 WeakPolarHBondContact O-CB 3.45Å; H165-Y169 PolarHBondContact O-N 3.17Å; H165-Y172 AromaticContact NE2-CD1 3.61Å; H165-Y172 AromaticContact NE2-CD2 3.72Å; H165-Y172 AromaticContact NE2-CE1 3.9Å; H165-Y172 AromaticContact NE2-CG 3.5Å
166K95.8Very high94.7Very high164 Ų16495.8 Ų95.871%0.71344%0.443SS*.Hα-helixtrans-67.5-31.8173.5-170.3-173.4175.6-1680112.2R162 K163 Q164 P170R162-K166 PolarHBondContact O-N 3.06Å; K163-K166 PolarHBondContact O-N 3.1Å; Q164-K166 VanDerWaalsContact C-N 3.3Å; Q164-K166 PolarHBondContact O-N 2.98Å; K166-P170 WeakPolarHBondContact O-CA 3.28Å
167K95.8Very high94.3Very high166 Ų166100.5 Ų100.572%0.72246%0.455SS*.Hα-helixtrans-73.8-43.7175.2-175.2178.9179178.20112.1K163 Q164 H165K163-K167 PolarHBondContact O-N 2.86Å; Q164-K167 WeakPolarHBondContact O-CA 3.31Å; Q164-K167 WeakPolarHBondContact O-CB 3.49Å; Q164-K167 PolarHBondContact O-N 3.49Å; H165-K167 VanDerWaalsContact C-N 3.32Å
168D93.6Very high94Very high66 Ų66110.2 Ų110.235%0.35349%0.491SS..Hα-helixtrans-74.7-28.2-179.2-66-28.4000113Q164Q164-D168 WeakPolarHBondContact CG-OD2 3.35Å; Q164-D168 PolarHBondContact NE2-OD1 2.86Å; Q164-D168 PolarHBondContact NE2-OD2 3.34Å; Q164-D168 PolarHBondContact O-N 3.07Å
169Y93.9Very high93.4Very high73 Ų73120.2 Ų120.229%0.28653%0.527SS..  trans-136.672-177.4-53.2-74.7000111V105 H165 D171 Y172V105-Y169 HydrophobicContact CG1-CD1 4.03Å; V105-Y169 HydrophobicContact CG1-CD2 3.72Å; V105-Y169 HydrophobicContact CG1-CE1 4.21Å; V105-Y169 HydrophobicContact CG1-CE2 3.91Å; V105-Y169 HydrophobicContact CG1-CG 3.78Å; V105-Y169 HydrophobicContact CG2-CD1 3.72Å; V105-Y169 HydrophobicContact CG2-CE1 3.66Å; V105-Y169 HydrophobicContact CG2-CG 4.31Å; H165-Y169 AromaticContact CE1-CD2 3.55Å; H165-Y169 AromaticContact CE1-CE2 3.98Å; H165-Y169 AromaticContact ND1-CD2 3.64Å; H165-Y169 AromaticContact ND1-CE2 3.98Å; H165-Y169 WeakPolarHBondContact O-CB 3.45Å; H165-Y169 PolarHBondContact O-N 3.17Å; Y169-D171 VanDerWaalsContact C-N 3.28Å; Y169-D171 PolarHBondContact O-N 3.17Å; Y169-Y172 WeakPolarHBondContact O-CB 3.41Å; Y169-Y172 PolarHBondContact O-N 2.95Å
170P94.4Very high92.4Very high99 Ų99126.8 Ų126.864%0.64355%0.554SS**THydrogen-bonded Turntrans-59.8-37.1-178.423.4-33.8000112.6K166 Y172K166-P170 WeakPolarHBondContact O-CA 3.28Å; P170-Y172 PolarHBondContact O-N 2.78Å
171D93.4Very high90.6Very high154 Ų154129.2 Ų129.282%0.82457%0.574SS**THydrogen-bonded Turntrans-7911176.5-57.1-66.8000114.1Y169 K173Y169-D171 VanDerWaalsContact C-N 3.28Å; Y169-D171 PolarHBondContact O-N 3.17Å; D171-K173 PolarHBondContact O-N 3.25Å
172Y95.3Very high88.8Confident66 Ų66132.1 Ų132.126%0.25961%0.607SS.*  trans-67.499.1-177-175.2-102.6000112.7V105 R107 H165 Y169 P170V105-Y172 HydrophobicContact CB-CD2 3.88Å; V105-Y172 HydrophobicContact CB-CE2 3.84Å; V105-Y172 HydrophobicContact CG1-CD2 3.48Å; V105-Y172 VanDerWaalsContact CG1-CD2 3.48Å; V105-Y172 HydrophobicContact CG1-CE2 3.62Å; V105-Y172 HydrophobicContact CG1-CG 4.43Å; V105-Y172 WeakPolarHBondContact O-CE2 3.46Å; R107-Y172 WeakPolarHBondContact CG-OH 3.13Å; H165-Y172 AromaticContact NE2-CD1 3.61Å; H165-Y172 AromaticContact NE2-CD2 3.72Å; H165-Y172 AromaticContact NE2-CE1 3.9Å; H165-Y172 AromaticContact NE2-CG 3.5Å; Y169-Y172 WeakPolarHBondContact O-CB 3.41Å; Y169-Y172 PolarHBondContact O-N 2.95Å; P170-Y172 PolarHBondContact O-N 2.78Å
173K93.5Very high86.9Confident167 Ų167134.5 Ų134.573%0.72662%0.621SS**  trans-97.6118.2171.5-166164.4-172.4168.10111.1D171 Q175D171-K173 PolarHBondContact O-N 3.25Å; K173-Q175 PolarHBondContact O-N 2.74Å
174Y94.6Very high84.8Confident113 Ų113135.8 Ų135.844%0.44363%0.634SS.*  trans-63.7120.3172.5170.7-137.3000110.9R107 P176R107-Y174 VanDerWaalsContact CZ-CZ 3.49Å; R107-Y174 VanDerWaalsContact NH1-CZ 3.31Å; R107-Y174 PolarHBondContact NH1-OH 2.78Å; R107-Y174 PolarHBondContact NH2-OH 2.93Å; R107-Y174 VanDerWaalsContact NH2-OH 3.08Å; Y174-P176 HydrophobicContact CD1-CG 4.49Å; Y174-P176 HydrophobicContact CE1-CG 3.85Å; Y174-P176 HydrophobicContact CE2-CB 4.45Å; Y174-P176 HydrophobicContact CE2-CG 4.19Å
175Q91.4Very high82.7Confident157 Ų157136.2 Ų136.273%0.73465%0.654SS**  trans-114.6107.9175.9-63.9-179.316.900110.3K173 R177K173-Q175 PolarHBondContact O-N 2.74Å; Q175-R177 PolarHBondContact O-N 3.38Å
176P91Very high80.3Confident87 Ų87142.2 Ų142.257%0.56570%0.697SS**  trans-66.1113.3174.2-16.928.4000111.3Y174 R178Y174-P176 HydrophobicContact CD1-CG 4.49Å; Y174-P176 HydrophobicContact CE1-CG 3.85Å; Y174-P176 HydrophobicContact CE2-CB 4.45Å; Y174-P176 HydrophobicContact CE2-CG 4.19Å; P176-R178 PolarHBondContact O-N 3.34Å
177R87.9Confident77.8Confident224 Ų224138 Ų13885%0.84570%0.699SS**  trans-71.197.3176.1-172.8178.1-172.6-95.44.5110.6Q175 R179Q175-R177 PolarHBondContact O-N 3.38Å; R177-R179 PolarHBondContact O-N 3.21Å
178R85.6Confident75.1Confident233 Ų233136 Ų13688%0.87971%0.706SS**  trans-52.5124.9166.3-69.3-178.371.7-177.83.2108.9P176 K180P176-R178 PolarHBondContact O-N 3.34Å; R178-K180 PolarHBondContact O-N 3.46Å
179R83.1Confident72.4Confident218 Ų218135.5 Ų135.582%0.82372%0.718SS**  trans-69.1125.5166.6-75.3-174.7165.6-147.9-4.5107.5R177 N181R177-R179 PolarHBondContact O-N 3.21Å; R179-N181 PolarHBondContact O-N 3.49Å; R179-N181 PolarHBondContact O-OD1 3.08Å
180K77.3Confident69.8Low207 Ų207138 Ų13890%0.975%0.745SS**  trans-73.4110.1166-174.8178.3-178.3-177.80106.5R178 G182R178-K180 PolarHBondContact O-N 3.46Å; K180-G182 PolarHBondContact O-N 2.95Å; K180-G182 VanDerWaalsContact O-N 3.13Å
181N58.9Low67.3Low148 Ų148141.9 Ų141.979%0.79176%0.755SS**  trans-59117.2174.2-65.766.4000108.4R179 K183R179-N181 PolarHBondContact O-N 3.49Å; R179-N181 PolarHBondContact O-OD1 3.08Å; N181-K183 PolarHBondContact O-N 3.39Å
182G56.3Low64.8Low70 Ų70139.4 Ų139.472%0.72276%0.756SS**  trans-71.690.1176.900000110K180 L184K180-G182 PolarHBondContact O-N 2.95Å; K180-G182 VanDerWaalsContact O-N 3.13Å; G182-L184 PolarHBondContact O-N 2.94Å
183K55.1Low61.9Low198 Ų198144.1 Ų144.186%0.86179%0.786SS**  trans-62.4105.2157.9-177.977.2172.7-176.30105.8N181 G185N181-K183 PolarHBondContact O-N 3.39Å; K183-G185 PolarHBondContact O-N 2.96Å; K183-G185 VanDerWaalsContact O-N 3.14Å
184L53.4Low59.3Low175 Ų175139.7 Ų139.792%0.91679%0.787SS**  trans-59.4116.5170.4-66.3171000107G182G182-L184 PolarHBondContact O-N 2.94Å
185G49.7Very low56.5Low66 Ų66141.2 Ų141.268%0.6880%0.798SS**  trans-122.1130.8-177.600000109K183K183-G185 PolarHBondContact O-N 2.96Å; K183-G185 VanDerWaalsContact O-N 3.14Å
186S46.7Very low54Low135 Ų135140.8 Ų140.894%0.94480%0.8SS**  trans-63.3148-179.4-171.40000111.9
187G42.2Very low51.2Low75 Ų75144.5 Ų144.577%0.77381%0.81SS**  trans-169.474.2-174.200000111.8
188S39.6Very low48.7Very low124 Ų124137.1 Ų137.187%0.86780%0.803SS**  trans-37153.4-178.7-165.60000118.4
189G37.9Very low46.2Very low57 Ų57135.3 Ų135.359%0.58881%0.805SS**  trans132.373139.700000118.6
190S39.3Very low43.9Very low124 Ų124130.1 Ų130.187%0.86780%0.797SS**  trans-178.3101.9146.4-80.20000111
191E40.3Very low41.8Very low181 Ų181125.7 Ų125.785%0.84679%0.793SS**  trans-80.8130.6171.747.5-95.855.700113.5
192A41.6Very low40.9Very low103 Ų103127.4 Ų127.485%0.85180%0.795SS**  trans-154.1137.716000000109.4
193D35Very low40Very low164 Ų164129.3 Ų129.388%0.87780%0.798SS**  trans-70.3159.3-162.1-143.4-36.5000115.6
194G37.7Very low39Very low74 Ų74127.4 Ų127.476%0.76379%0.792SS**  trans167.259-176.700000116.3
195H36.8Very low38.2Very low145 Ų145124.1 Ų124.167%0.67178%0.783SS**  trans-77.6126.2-173.6176.7-87.7000115.5
196L39.3Very low37.3Very low148 Ų148129.2 Ų129.278%0.77579%0.789SS**  trans-179.1108.7131.8-100.4169.7000114
197E32.4Very low37Very low166 Ų166133.2 Ų133.278%0.77679%0.785SS**  trans29120.6142.2-60.6-60.889.600122.1
198G35.1Very low36.6Very low68 Ų68139.6 Ų139.670%0.70179%0.792SS**  trans173.8101.1164.900000111.6
199E31.8Very low36.4Very low195 Ų195136.9 Ų136.991%0.91178%0.784SS**  trans-69.7159.7-162.7-140.8-149.1149.500115.7
200V36.4Very low36.3Very low110 Ų110141.9 Ų141.967%0.66780%0.796SS**  trans-124.7136.7-168.7175.30000111.4
201S33.1Very low36Very low114 Ų114143.7 Ų143.780%0.79779%0.79SS**  trans-149.299.6152.5-950000113
202H39.5Very low35.5Very low183 Ų183142.3 Ų142.385%0.84779%0.788SS**  trans-104.178.1168.1-170.983.9000109.3Q204H202-Q204 PolarHBondContact O-N 2.89Å
203S37.6Very low34.9Very low111 Ų111143.3 Ų143.378%0.77678%0.775SS**  trans-77119.8-174.644.60000112.8
204Q33.7Very low34.8Very low158 Ų158141.2 Ų141.274%0.73877%0.768SS**  trans-45.8149.3177.1179.1170.1103.200115.4H202 H206H202-Q204 PolarHBondContact O-N 2.89Å; Q204-H206 PolarHBondContact O-CD2 2.89Å; Q204-H206 PolarHBondContact O-N 3.2Å
205S35.7Very low34.6Very low105 Ų105141.9 Ų141.973%0.73476%0.757SS**  trans-58.6125175.7-49.10000113.3
206H32.3Very low34.5Very low174 Ų174143.8 Ų143.881%0.80677%0.766SS**  trans-106.9125.1165.6-78.4-96.2000110.9Q204Q204-H206 PolarHBondContact O-CD2 2.89Å; Q204-H206 PolarHBondContact O-N 3.2Å
207Y39.1Very low34.1Very low218 Ų218142.3 Ų142.386%0.85577%0.768SS**  trans-97.3109.4167.2-75.8-89.1000109.8
208K35.3Very low33.9Very low209 Ų209138.5 Ų138.591%0.90977%0.773SS**  trans-177.8139.5157.3-97.5155.4-175.7-173.10105.8
209G35.3Very low33.7Very low68 Ų68138.7 Ų138.770%0.70178%0.775SS**  cis10867.37.100000111.7
210L35.1Very low33.8Very low161 Ų161134.4 Ų134.484%0.84377%0.773SS**  trans178.5120162-91.7165.6000103
211H32.7Very low33.5Very low163 Ų163138.3 Ų138.376%0.75578%0.784SS**  54.882.977-162.8-76.2000112.1E213H211-E213 PolarHBondContact O-N 3.08Å
212L30.2Very low33.9Very low152 Ų152138.2 Ų138.280%0.79678%0.784SS**  trans-76.7108.1175.6-176.965.5000109.6V214L212-V214 HydrophobicContact CD2-CG2 4.01Å; L212-V214 HydrophobicContact CG-CG2 3.88Å
213E29Very low34.4Very low123 Ų123135 Ų13558%0.57578%0.779SS**  trans-75.1138.5161.7-150.8-81.7170.800108H211 T215H211-E213 PolarHBondContact O-N 3.08Å; E213-T215 WeakPolarHBondContact OE1-CG2 3.44Å; E213-T215 WeakPolarHBondContact OE2-CB 3.35Å; E213-T215 WeakPolarHBondContact OE2-CG2 3.4Å; E213-T215 PolarHBondContact OE2-N 3.33Å; E213-T215 PolarHBondContact OE2-OG1 2.98Å
214V31.8Very low34.1Very low120 Ų120137.7 Ų137.773%0.72778%0.784SS**  trans-126.7102.9178.7-179.50000108.7L212L212-V214 HydrophobicContact CD2-CG2 4.01Å; L212-V214 HydrophobicContact CG-CG2 3.88Å
215T34.8Very low34Very low88 Ų88134.3 Ų134.354%0.5478%0.783SS.*  trans-105.7-177.4174.4190000111.3E213E213-T215 WeakPolarHBondContact OE1-CG2 3.44Å; E213-T215 WeakPolarHBondContact OE2-CB 3.35Å; E213-T215 WeakPolarHBondContact OE2-CG2 3.4Å; E213-T215 PolarHBondContact OE2-N 3.33Å; E213-T215 PolarHBondContact OE2-OG1 2.98Å
216H33.5Very low33.7Very low186 Ų186137.6 Ų137.686%0.86179%0.792SS**  trans91.2132.9-171.4-48.7-42.3000114.2
217S31.7Very low33.7Very low117 Ų117133.1 Ų133.182%0.81879%0.793SS**  cis-167.7148.7-3.647.60000113.9
218G28.9Very low33.4Very low85 Ų85130.7 Ų130.788%0.87679%0.79SS**  trans94.1146.515900000116.2
219G30.1Very low33.4Very low73 Ų73128.2 Ų128.275%0.75378%0.781SS**  cis173.8163.1-600000113.2
220A34.5Very low34.3Very low105 Ų105129.4 Ų129.487%0.86878%0.776SS**  trans65.8151.2-172.900000114.5
221E30.1Very low34.3Very low192 Ų192130.6 Ų130.690%0.89778%0.777SS**  cis-129.5-174.117.7-65.8-179.9101.900113.9
222S40.3Very low34.4Very low112 Ų112127.1 Ų127.178%0.78378%0.776SS**  trans-139.2158.3172.4-126.70000107.6
223P50.3Low34.6Very low114 Ų114125 Ų12574%0.7478%0.781SS**  -154.8-178.151.242.7-21.5000118.8
224L31.9Very low34.9Very low168 Ų168123 Ų12388%0.8879%0.793SS**  trans89.6145.8141-153.166.6000121.5
225A31.3Very low35.4Very low87 Ų87125.8 Ų125.872%0.71980%0.798SS**  trans90.5129.8157.100000121.3
226D29.4Very low35.3Very low174 Ų174127.5 Ų127.593%0.9381%0.814SS**  trans-38.6159.5177.1-68.7-91.9000121.3
227G32.2Very low35.8Very low80 Ų80127.2 Ų127.283%0.82581%0.812SS**  trans179.575.1172.500000117.3
228Q32.8Very low36.2Very low168 Ų168126.7 Ų126.779%0.78581%0.809SS**  trans-38.9141.2176.6-166.272.8-1800118.8
229H35.2Very low37.1Very low157 Ų157128.3 Ų128.373%0.72780%0.804SS**  trans-11.2170154.2-67.1-91.5000121.7
230P53.6Low37.9Very low93 Ų93130.9 Ų130.960%0.60481%0.807SS**  cis-138.3-168.9-33.639.8-21.6000112.9
231H35.3Very low38.5Very low186 Ų186132 Ų13286%0.86180%0.804SS**  170.5162.8125.8-93.5-69.9000114.4
232A34.3Very low39Very low89 Ų89128.5 Ų128.574%0.73680%0.798SS**  trans-93.6161.2-146.800000118.9
233A36.4Very low39.3Very low109 Ų109129.3 Ų129.390%0.90180%0.8SS**  trans68.7127.9143.600000121.7
234G34.3Very low38.9Very low79 Ų79130.1 Ų130.181%0.81480%0.803SS**  trans-168.8140.3164.700000110.1
235Q42.3Very low39.5Very low179 Ų179128.1 Ų128.184%0.83680%0.798SS**  trans-100.2154.7-169.7-69.8173.3-8.300113.3H237Q235-H237 PolarHBondContact O-CD2 3.36Å; Q235-H237 PolarHBondContact O-N 3.38Å
236S33.3Very low40.2Very low125 Ų125130 Ų13087%0.87480%0.803SS**  trans-78.3114.6-179.245.50000112.4
237H42.8Very low40.4Very low179 Ų179130.9 Ų130.983%0.82980%0.798SS**PPolyproline II helixtrans-91.4127.4174.3-73.3-85.3000112Q235Q235-H237 PolarHBondContact O-CD2 3.36Å; Q235-H237 PolarHBondContact O-N 3.38Å
238S39.7Very low40.5Very low107 Ų107132 Ų13275%0.74879%0.789SS**PPolyproline II helixtrans-84.7152.2168.248.60000111.4
239P47.8Very low40.4Very low118 Ų118132.1 Ų132.177%0.76679%0.79SS**PPolyproline II helixtrans-73.5141.9-178.129.3-34.8000112.2
240P47.3Very low40.5Very low128 Ų128131.7 Ų131.783%0.83179%0.792SS**PPolyproline II helixtrans-77.4150.4-173.531-36.2000114
241T46.8Very low39.4Very low129 Ų129135.9 Ų135.979%0.79180%0.803SS**PPolyproline II helixtrans-86149.5170.6460000112.3
242P41.8Very low39.2Very low118 Ų118133.1 Ų133.177%0.76681%0.805SS**PPolyproline II helixtrans-72142.9176.830.2-34.9000112.2
243P47.2Very low39.1Very low129 Ų129132.3 Ų132.384%0.83881%0.806SS**PPolyproline II helixtrans-80.6155-174.431.8-36000114.6
244T40.3Very low38.8Very low130 Ų130136.3 Ų136.380%0.79880%0.803SS**PPolyproline II helixtrans-81.4154.1-179.1-45.30000112.9
245T45Very low38.9Very low126 Ų126138.7 Ų138.777%0.77380%0.802SS**PPolyproline II helixtrans-63.5132.8172.751.30000113.9
246P45.3Very low38.5Very low127 Ų127133.8 Ų133.883%0.82580%0.799SS**  trans-88.9-177.6161.936.2-32.9000112.2
247K33.7Very low38.4Very low192 Ų192135.9 Ų135.984%0.83580%0.801SS**  trans-154.3146.3-159.4-168.7-153.4174.8-165.90112
248T35.8Very low38Very low103 Ų103130.3 Ų130.363%0.63279%0.791SS**  trans81146.3157.9-10.40000120.4
249E29.4Very low37.8Very low172 Ų172134.2 Ų134.280%0.80480%0.795SS**  trans93.9169.2142.5-111.7160.7115.200123
250L37.3Very low37.3Very low147 Ų147138.2 Ų138.277%0.7780%0.795SS**  trans-127152.1-147.7-65.1143.4000112.6
251Q31.5Very low36.6Very low181 Ų181138.5 Ų138.585%0.84679%0.785SS**  163.7136.1117-88.6169.680.200116
252S30Very low36.1Very low128 Ų128136 Ų13690%0.89579%0.785SS**  trans39.4134.8140-157.70000123.2
253G32Very low35.8Very low73 Ų73135.4 Ų135.475%0.75379%0.79SS**  trans-169.98.417800000127
254K31.9Very low35.1Very low192 Ų192133 Ų13384%0.83579%0.789SS**  trans55.1103.1151.1-170.2165.2-178.5179.30123.9
255T36.2Very low34.8Very low129 Ų129134.8 Ų134.879%0.79179%0.793SS**  trans62.8132136.162.80000126.9
256G32.8Very low34.2Very low76 Ų76132.3 Ų132.378%0.78479%0.793SS**  trans104.1159.4137.200000117.8
257D32.4Very low33.6Very low170 Ų170129.3 Ų129.391%0.90979%0.785SS**  cis-166.9167.5-30.5-157.7-71.1000107.9
258G33.2Very low33.8Very low61 Ų61126.7 Ų126.763%0.62979%0.785SS**  trans83.3120.7177.400000114.9
259K35.6Very low33.8Very low189 Ų189132.3 Ų132.382%0.82280%0.795SS**  cis74.9111.427.5-168.3-179.6179.3176.50115.6
260R38.2Very low33.9Very low203 Ų203128.5 Ų128.577%0.76679%0.787SS**  -174.1155111.3-164151.5-169.1169.54.7114.7
261E32.9Very low33.7Very low134 Ų134127.2 Ų127.263%0.62679%0.786SS**  trans-33.1160.5165.8-58115.4-134.100116.2
262G36.2Very low33.7Very low77 Ų77126.8 Ų126.879%0.79479%0.786SS**  cis153.3-173.61400000108.5
263A34.1Very low33.9Very low104 Ų104125 Ų12586%0.8678%0.779SS**  cis-167.3151.9-16.600000110
264G32.8Very low34Very low80 Ų80126.3 Ų126.383%0.82578%0.782SS**  trans84.6168.3164.500000117.9
265N35.4Very low34Very low166 Ų166125.5 Ų125.589%0.88878%0.782SS**  cis-161.9139.1-12.7-169.626.8000112.9
266G32Very low33.6Very low75 Ų75122.8 Ų122.877%0.77378%0.779SS**  trans71.5155.8164.200000118.1
267G32.8Very low34Very low63 Ų63125.3 Ų125.365%0.64978%0.779SS**  cis158.4135.7-14.400000115.1
268T36.5Very low34.7Very low137 Ų137123.3 Ų123.384%0.8478%0.775SS**  trans67.4156.5165.1720000117.9
269R35.9Very low34.7Very low222 Ų222123.9 Ų123.984%0.83878%0.782SS**  cis-164.7173-21.2-107.217276.3176.45.8108.3
270S31.2Very low35.3Very low92 Ų92121.7 Ų121.764%0.64379%0.79SS**  trans77.2108.4162.2-58.20000116.4
271T33.1Very low35.2Very low120 Ų120114.9 Ų114.974%0.73678%0.783SS**  61.9130.293.564.20000114
272M31.4Very low36.2Very low171 Ų171118.3 Ų118.384%0.84280%0.796SS**  -175.6160.359.852-143141.300113.5
273A35Very low36.8Very low91 Ų91120.2 Ų120.275%0.75279%0.794SS**  trans47115.3155.500000119.8
274A34.3Very low37.6Very low100 Ų100123.6 Ų123.683%0.82679%0.792SS**  80.3149.996.200000113.8
275E31.5Very low38.8Very low176 Ų176125 Ų12582%0.82278%0.78SS**  cis-146.8157.4-2.5-129.4-68.6155.600106.4
276G28.6Very low39.9Very low72 Ų72121.8 Ų121.874%0.74276%0.762SS**  trans177.392.2-171.300000118.5
277V40.2Very low41.1Very low128 Ų128126 Ų12678%0.77676%0.76SS**  trans-104.2132.3163.2175.90000106.4
278P48.2Very low42.7Very low128 Ų128126 Ų12683%0.83176%0.76SS**  -148.1167.158.741-22000118
279G33.2Very low43.8Very low74 Ų74126.4 Ų126.476%0.76376%0.757SS**  trans168.2101.4163.200000115.1G281G279-G281 PolarHBondContact O-N 2.97Å
280S47.6Very low45.1Very low142 Ų142118.7 Ų118.799%0.99373%0.734SS**  trans-74.185.6174.6-178.30000111.8
281G36.2Very low46.5Very low61 Ų61119.5 Ų119.563%0.62973%0.731SS**  trans-106.6141.1166.300000110.7G279G279-G281 PolarHBondContact O-N 2.97Å
282K53.4Low47.9Very low205 Ų205119.6 Ų119.689%0.89173%0.726SS**  trans-63.7133.5172.8-62.1171.1-175.6172.10108.7H284K282-H284 PolarHBondContact O-N 3.36Å; K282-H284 VanDerWaalsContact O-N 3.08Å
283P50.2Low49.6Very low117 Ų117113.7 Ų113.776%0.7671%0.709SS**  trans-62.6116.6175.425.4-32.9000109.5I285P283-I285 PolarHBondContact O-N 3.02Å
284H49.8Very low50.8Low175 Ų175116.8 Ų116.881%0.8171%0.708SS**  trans-72107.1162.4-178.717000106.2K282 D286K282-H284 PolarHBondContact O-N 3.36Å; K282-H284 VanDerWaalsContact O-N 3.08Å; H284-D286 PolarHBondContact O-N 3.13Å
285I57.3Low51.9Low110 Ų110115.9 Ų115.956%0.56469%0.688SS**  trans-68.8102.3177.2-56.5173.9000107.3P283 F287P283-I285 PolarHBondContact O-N 3.02Å; I285-F287 HydrophobicContact CB-CE2 4.17Å; I285-F287 HydrophobicContact CB-CZ 4.43Å; I285-F287 HydrophobicContact CG2-CD2 4.21Å; I285-F287 HydrophobicContact CG2-CE1 4.1Å; I285-F287 HydrophobicContact CG2-CE2 3.72Å; I285-F287 HydrophobicContact CG2-CZ 3.66Å; I285-F287 WeakPolarHBondContact O-CD2 3.4Å
286D60Low53.3Low99 Ų99109.9 Ų109.953%0.52967%0.666SS.*  trans-86.3117.5172-167.4-15.8000109H284 G288H284-D286 PolarHBondContact O-N 3.13Å; D286-G288 VanDerWaalsContact C-N 3.29Å; D286-G288 PolarHBondContact OD1-N 3.22Å
287F57.2Low54.8Low162 Ų162112.8 Ų112.871%0.71166%0.66SS**G310 helixtrans-83.9-3.6-179.5-68.6-88.9000112.8I285 N289I285-F287 HydrophobicContact CB-CE2 4.17Å; I285-F287 HydrophobicContact CB-CZ 4.43Å; I285-F287 HydrophobicContact CG2-CD2 4.21Å; I285-F287 HydrophobicContact CG2-CE1 4.1Å; I285-F287 HydrophobicContact CG2-CE2 3.72Å; I285-F287 HydrophobicContact CG2-CZ 3.66Å; I285-F287 WeakPolarHBondContact O-CD2 3.4Å; F287-N289 VanDerWaalsContact C-N 3.25Å; F287-N289 PolarHBondContact O-N 3.35Å
288G65.8Low56Low64 Ų64112.9 Ų112.966%0.6665%0.652SS**G310 helixtrans-68.7-19.9177.100000114.7D286D286-G288 VanDerWaalsContact C-N 3.29Å; D286-G288 PolarHBondContact OD1-N 3.22Å
289N58.9Low56.8Low145 Ų145111 Ų11178%0.77564%0.638SS**G310 helixtrans-124.610.7-171.4-74.977000114.1F287 D291F287-N289 VanDerWaalsContact C-N 3.25Å; F287-N289 PolarHBondContact O-N 3.35Å; N289-D291 PolarHBondContact O-N 3.06Å
290V64.6Low58.1Low60 Ų60113.7 Ų113.736%0.36463%0.632SS.*  trans-79.5105.2175.4178.10000108.8I292 I295V290-I292 PolarHBondContact O-N 2.94Å; V290-I292 VanDerWaalsContact O-N 3.15Å; V290-I295 HydrophobicContact CG1-CD1 3.8Å; V290-I295 HydrophobicContact CG1-CG1 4.43Å; V290-I295 HydrophobicContact CG1-CG2 4.39Å
291D60.5Low59Low109 Ų109110.4 Ų110.458%0.58361%0.613SS**  trans-71.3110.2174.7-163.1-34.4000110N289 G293 E294N289-D291 PolarHBondContact O-N 3.06Å; D291-G293 PolarHBondContact O-N 3.05Å; D291-G293 PolarHBondContact OD1-N 3.29Å; D291-E294 PolarHBondContact O-N 2.9Å
292I62.4Low60.2Low123 Ų123114 Ų11463%0.63162%0.618SS**Hα-helixtrans-64.2-20.2-177.5-66.3168.6000111.1V290 S296V290-I292 PolarHBondContact O-N 2.94Å; V290-I292 VanDerWaalsContact O-N 3.15Å; I292-S296 VanDerWaalsContact O-CB 3.25Å; I292-S296 WeakPolarHBondContact O-CB 3.41Å; I292-S296 PolarHBondContact O-N 3.01Å; I292-S296 PolarHBondContact O-OG 3.23Å
293G67.7Low61Low46 Ų46109.2 Ų109.247%0.47460%0.6SS.*Hα-helixtrans-65.9-50.6173.900000113.3D291 S296 H297D291-G293 PolarHBondContact O-N 3.05Å; D291-G293 PolarHBondContact OD1-N 3.29Å; G293-S296 PolarHBondContact O-N 2.7Å; G293-H297 PolarHBondContact O-N 3.41Å
294E58.7Low61.7Low156 Ų156111.9 Ų111.973%0.72960%0.602SS**Hα-helixtrans-67.2-49.6-177.3-78.6-168.813800112D291 S296 H297 E298D291-E294 PolarHBondContact O-N 2.9Å; E294-S296 PolarHBondContact O-N 3.06Å; E294-H297 PolarHBondContact O-N 3.31Å; E294-E298 PolarHBondContact O-N 3.02Å
295I58.8Low62.2Low82 Ų82109.3 Ų109.342%0.42160%0.602SS.*Hα-helixtrans-62.8-29.3178.756.4163.3000112.5V290 V299V290-I295 HydrophobicContact CG1-CD1 3.8Å; V290-I295 HydrophobicContact CG1-CG1 4.43Å; V290-I295 HydrophobicContact CG1-CG2 4.39Å; I295-V299 WeakPolarHBondContact O-CB 3.47Å; I295-V299 VanDerWaalsContact O-CG2 3.24Å; I295-V299 WeakPolarHBondContact O-CG2 3.26Å; I295-V299 PolarHBondContact O-N 3.45Å; I295-V299 VanDerWaalsContact O-N 3.09Å
296S61Low61.7Low49 Ų49111.7 Ų111.734%0.34361%0.608SS.*Hα-helixtrans-67.7-40.9173.2-63.20000111I292 G293 E294 M300I292-S296 VanDerWaalsContact O-CB 3.25Å; I292-S296 WeakPolarHBondContact O-CB 3.41Å; I292-S296 PolarHBondContact O-N 3.01Å; I292-S296 PolarHBondContact O-OG 3.23Å; G293-S296 PolarHBondContact O-N 2.7Å; E294-S296 PolarHBondContact O-N 3.06Å; S296-M300 VanDerWaalsContact O-CB 3.3Å; S296-M300 WeakPolarHBondContact O-CB 3.37Å; S296-M300 WeakPolarHBondContact O-CE 3.44Å; S296-M300 WeakPolarHBondContact O-CG 3.32Å; S296-M300 PolarHBondContact O-N 3.25Å
297H58.6Low61.6Low134 Ų134111.8 Ų111.862%0.6261%0.608SS**Hα-helixtrans-69.7-39.1179.7-163.1-70.8000112.4G293 E294 A301G293-H297 PolarHBondContact O-N 3.41Å; E294-H297 PolarHBondContact O-N 3.31Å; H297-A301 VanDerWaalsContact O-CB 3.25Å; H297-A301 WeakPolarHBondContact O-CB 3.48Å; H297-A301 PolarHBondContact O-N 3.22Å
298E65.5Low61.8Low130 Ų130109.6 Ų109.661%0.60761%0.608SS**Hα-helixtrans-65.6-43.3175.2-171.5179.3-166.100111.8E294 A301 N302E294-E298 PolarHBondContact O-N 3.02Å; E298-A301 PolarHBondContact O-N 3.04Å; E298-N302 PolarHBondContact O-N 3.46Å; E298-N302 VanDerWaalsContact O-N 3.11Å
299V66.1Low61.3Low88 Ų88112.8 Ų112.853%0.53361%0.61SS.*Hα-helixtrans-66.3-43.7176.3171.20000111.4I295 A301 N302 M303I295-V299 WeakPolarHBondContact O-CB 3.47Å; I295-V299 VanDerWaalsContact O-CG2 3.24Å; I295-V299 WeakPolarHBondContact O-CG2 3.26Å; I295-V299 PolarHBondContact O-N 3.45Å; I295-V299 VanDerWaalsContact O-N 3.09Å; V299-A301 VanDerWaalsContact C-N 3.29Å; V299-A301 PolarHBondContact O-N 3.03Å; V299-N302 PolarHBondContact O-N 3Å; V299-M303 HydrophobicContact CG1-CG 4.47Å; V299-M303 HydrophobicContact CG1-SD 4.1Å; V299-M303 WeakPolarHBondContact O-CG 3.28Å; V299-M303 PolarHBondContact O-N 3.32Å; V299-M303 VanDerWaalsContact O-N 3.1Å
300M60.8Low61.7Low131 Ų131111.5 Ų111.565%0.64560%0.6SS**Hα-helixtrans-65.8-29.2176.9-73.1-174.9-60.800113.1S296S296-M300 VanDerWaalsContact O-CB 3.3Å; S296-M300 WeakPolarHBondContact O-CB 3.37Å; S296-M300 WeakPolarHBondContact O-CE 3.44Å; S296-M300 WeakPolarHBondContact O-CG 3.32Å; S296-M300 PolarHBondContact O-N 3.25Å
301A65.2Low60.9Low73 Ų73114.6 Ų114.660%0.60361%0.608SS**Hα-helixtrans-79.6-27.8177.700000113.7H297 E298 V299H297-A301 VanDerWaalsContact O-CB 3.25Å; H297-A301 WeakPolarHBondContact O-CB 3.48Å; H297-A301 PolarHBondContact O-N 3.22Å; E298-A301 PolarHBondContact O-N 3.04Å; V299-A301 VanDerWaalsContact C-N 3.29Å; V299-A301 PolarHBondContact O-N 3.03Å
302N62.3Low60.8Low136 Ų136114.7 Ų114.773%0.72761%0.609SS**Hα-helixtrans-95.2-0.2176.6-85.2-34.1000114E298 V299E298-N302 PolarHBondContact O-N 3.46Å; E298-N302 VanDerWaalsContact O-N 3.11Å; V299-N302 PolarHBondContact O-N 3Å
303M69.1Low60.9Low105 Ų105116.3 Ų116.352%0.51761%0.614SS.*SBendtrans-81.3126.4168.7-80.3179.265.700110.3V299 F306V299-M303 HydrophobicContact CG1-CG 4.47Å; V299-M303 HydrophobicContact CG1-SD 4.1Å; V299-M303 WeakPolarHBondContact O-CG 3.28Å; V299-M303 PolarHBondContact O-N 3.32Å; V299-M303 VanDerWaalsContact O-N 3.1Å; M303-F306 HydrophobicContact CE-CD2 4.36Å; M303-F306 HydrophobicContact CE-CE2 4.26Å
304E65.8Low60.1Low172 Ų172122.1 Ų122.180%0.80462%0.623SS**  trans-56.5139.6169.7-171.5171.4-151.400110F306E304-F306 PolarHBondContact O-N 3.5Å
305P59.6Low60.6Low122 Ų122119.1 Ų119.179%0.79261%0.611SS**  trans-59.9109.8177.724-34.6000110.3D307P305-D307 PolarHBondContact O-N 2.66Å; P305-D307 VanDerWaalsContact O-N 3.15Å
306F46.8Very low60.2Low160 Ų160119.9 Ų119.970%0.70262%0.621SS**  trans-52.4116.1-178.2-121.7-100.7000111M303 E304 V308M303-F306 HydrophobicContact CE-CD2 4.36Å; M303-F306 HydrophobicContact CE-CE2 4.26Å; E304-F306 PolarHBondContact O-N 3.5Å; F306-V308 PolarHBondContact O-N 2.98Å
307D58.8Low59.9Low100 Ų100123.9 Ų123.954%0.53565%0.646SS.*  trans-72.2102.8173.1-170-1.4000109.5P305 N309 E310P305-D307 PolarHBondContact O-N 2.66Å; P305-D307 VanDerWaalsContact O-N 3.15Å; D307-N309 PolarHBondContact O-N 2.68Å; D307-N309 VanDerWaalsContact O-N 3.12Å; D307-N309 WeakPolarHBondContact OD1-CA 3.3Å; D307-N309 WeakPolarHBondContact OD1-CB 3.39Å; D307-N309 PolarHBondContact OD1-N 3.43Å; D307-E310 HydrophobicContact CB-CB 4.39Å; D307-E310 PolarHBondContact O-N 3.48Å; D307-E310 VanDerWaalsContact O-N 3.07Å
308V60Low59.5Low116 Ų116125.1 Ų125.170%0.70366%0.657SS**Hα-helixtrans-56.2-27.8175.9-175.80000110.8F306 F311F306-V308 PolarHBondContact O-N 2.98Å; V308-F311 PolarHBondContact O-N 3.13Å
309N56Low58.8Low132 Ų132122.2 Ų122.271%0.70666%0.662SS**Hα-helixtrans-78.9-15.8-178.3-128.3101.6000113.8D307D307-N309 PolarHBondContact O-N 2.68Å; D307-N309 VanDerWaalsContact O-N 3.12Å; D307-N309 WeakPolarHBondContact OD1-CA 3.3Å; D307-N309 WeakPolarHBondContact OD1-CB 3.39Å; D307-N309 PolarHBondContact OD1-N 3.43Å
310E66.8Low57.9Low118 Ų118126.1 Ų126.155%0.55167%0.674SS**Hα-helixtrans-80.7-36.6169.6-172.4178.1-171.800111.2D307 D312 Q313 Y314D307-E310 HydrophobicContact CB-CB 4.39Å; D307-E310 PolarHBondContact O-N 3.48Å; D307-E310 VanDerWaalsContact O-N 3.07Å; E310-D312 PolarHBondContact O-N 3.29Å; E310-Q313 WeakPolarHBondContact O-CB 3.34Å; E310-Q313 PolarHBondContact O-N 3.48Å; E310-Y314 HydrophobicContact CG-CE2 4.29Å; E310-Y314 WeakPolarHBondContact O-CD2 3.35Å
311F49.6Very low57.1Low125 Ų125126.3 Ų126.355%0.54869%0.685SS.*Hα-helixtrans-64.9-38.9-175.5-171.1-101.9000113.4V308 Q313 Y314 L315V308-F311 PolarHBondContact O-N 3.13Å; F311-Q313 PolarHBondContact O-N 3.06Å; F311-Y314 PolarHBondContact O-N 2.95Å; F311-Y314 VanDerWaalsContact O-N 3.1Å; F311-L315 HydrophobicContact CE1-CD2 4.06Å
312D57.8Low55.8Low111 Ų111125 Ų12559%0.59468%0.679SS**G310 helixtrans-60.1-26.2177.7-102.410.3000112.9E310 Y314 L315E310-D312 PolarHBondContact O-N 3.29Å; D312-Y314 PolarHBondContact O-N 3.14Å; D312-L315 PolarHBondContact O-N 3.35Å; D312-L315 WeakPolarHBondContact OD1-CD1 3.41Å
313Q64.4Low54.6Low156 Ų156125.3 Ų125.373%0.72969%0.685SS**G310 helixtrans-68-16178.3-170.1165.396.200113.3E310 F311E310-Q313 WeakPolarHBondContact O-CB 3.34Å; E310-Q313 PolarHBondContact O-N 3.48Å; F311-Q313 PolarHBondContact O-N 3.06Å
314Y50Low52.9Low169 Ų169124.4 Ų124.466%0.66370%0.702SS**G310 helixtrans-104.91.7-179.9-65.4-78.7000114.1E310 F311 D312E310-Y314 HydrophobicContact CG-CE2 4.29Å; E310-Y314 WeakPolarHBondContact O-CD2 3.35Å; F311-Y314 PolarHBondContact O-N 2.95Å; F311-Y314 VanDerWaalsContact O-N 3.1Å; D312-Y314 PolarHBondContact O-N 3.14Å
315L68.9Low51.4Low92 Ų92120.8 Ų120.848%0.48270%0.702SS.*SBendtrans-81.5136.3175.3-64.7-178.5000111.6F311 D312F311-L315 HydrophobicContact CE1-CD2 4.06Å; D312-L315 PolarHBondContact O-N 3.35Å; D312-L315 WeakPolarHBondContact OD1-CD1 3.41Å
316P50.3Low50.2Low99 Ų99119.6 Ų119.664%0.64370%0.703SS**  trans-68.2142.417328.7-33.6000110.5N318P316-N318 PolarHBondContact O-N 2.8Å
317P56.6Low50.1Low132 Ų132118.2 Ų118.286%0.85771%0.709SS**SBendtrans-70.813.8-165.328.6-37.6000116.5
318N50.2Low48.8Very low161 Ų161117.6 Ų117.686%0.86173%0.727SS**  trans-106.630.5-175.1-88.174.3000113.1P316P316-N318 PolarHBondContact O-N 2.8Å
319G49.9Very low47.4Very low68 Ų68116 Ų11670%0.70173%0.734SS**  trans-101-20-172.300000117.5
320H46.8Very low46.3Very low171 Ų171114.8 Ų114.879%0.79274%0.743SS**  trans-119.5112.6-163.8-152.9-78.9000114.4G322H320-G322 PolarHBondContact O-N 3.42Å; H320-G322 VanDerWaalsContact O-N 3.09Å
321P45.1Very low44.6Very low135 Ų135113.9 Ų113.988%0.87776%0.755SS**  trans-82.778.3172.833.8-33000110.3
322G36.5Very low43.8Very low46 Ų46112.7 Ų112.747%0.47477%0.769SS.*  trans-152.3115.1-176.600000115.5H320H320-G322 PolarHBondContact O-N 3.42Å; H320-G322 VanDerWaalsContact O-N 3.09Å
323V37.3Very low42.6Very low142 Ų142112.3 Ų112.386%0.86178%0.781SS**  trans43.790.1151.8-166.40000116.4A325V323-A325 PolarHBondContact O-N 3.35Å
324G34.1Very low41Very low85 Ų85108.9 Ų108.988%0.87679%0.787SS**  trans-69.5124.1164.900000111.6
325A34.8Very low40.1Very low97 Ų97105 Ų10580%0.80280%0.798SS**  trans-126.4109.6172.900000109.9V323V323-A325 PolarHBondContact O-N 3.35Å
326A34.7Very low38.4Very low97 Ų97105.6 Ų105.680%0.80282%0.816SS**  trans-121.6138.4175.400000109.8
327P44Very low37.5Very low130 Ų130105.4 Ų105.484%0.84482%0.823SS**  trans-86.4134.4-171.732.4-34.6000114
328G32.2Very low36.4Very low87 Ų87104 Ų10490%0.89782%0.822SS**  trans5093.8142.800000120.1
329G29.9Very low35.6Very low84 Ų84101.2 Ų101.287%0.86682%0.822SS**  trans-149.9135159.200000110
330A32.3Very low34.8Very low106 Ų106103.5 Ų103.588%0.87683%0.828SS**  trans-106.6142.5-167.100000113.9
331A31.8Very low35Very low98 Ų98101.3 Ų101.381%0.8183%0.829SS**  178.8135.312700000114.5
332A32.3Very low34.4Very low101 Ų101100.1 Ų100.184%0.83583%0.83SS**  trans61.9133.5140.800000124.1
333A33.8Very low34.2Very low103 Ų103103.2 Ų103.285%0.85184%0.844SS**  trans79.496.7138.400000122.4
334G30.4Very low34.9Very low84 Ų84101.3 Ų101.387%0.86684%0.835SS**  101.915311800000119.4
335G30.5Very low34.7Very low86 Ų86107.6 Ų107.689%0.88783%0.834SS**  trans108.2120168.300000114.6
336A32.7Very low34.5Very low105 Ų105107.8 Ų107.887%0.86884%0.835SS**  trans-101.1173.7-175.300000113.9
337A32.2Very low34.6Very low95 Ų95113.4 Ų113.479%0.78584%0.837SS**  trans98.798.6149.400000120.8
338A33Very low34.2Very low102 Ų102110.9 Ų110.984%0.84383%0.834SS**  85.1156.6118.100000122.5
339A33.3Very low34.4Very low103 Ų103113.4 Ų113.485%0.85183%0.826SS**  trans76.9104.8165.600000119.9
340S33Very low34.8Very low117 Ų117115.3 Ų115.382%0.81883%0.826SS**  trans-102.5-171.7154.8-51.90000109
341P50.9Low35Very low125 Ų125116 Ų11681%0.81283%0.825SS**  -126.7164.9-63.736.2-22000112.7
342A32.7Very low35.2Very low109 Ų109116.5 Ų116.590%0.90183%0.829SS**  trans-152.9158167.100000113.4
343S33.2Very low35.2Very low111 Ų111120.1 Ų120.178%0.77683%0.833SS**  trans-163.8172.8-175.2-1660000107.6
344P51.4Low35.3Very low103 Ų103119.5 Ų119.567%0.66983%0.828SS**  cis-124.1-156.3-22.6179.5000111.3
345Y29.5Very low35.5Very low216 Ų216119.8 Ų119.885%0.84782%0.822SS**  trans74114.7157.4-93.5-90.3000120.8
346A30.6Very low35.7Very low101 Ų101119.7 Ų119.784%0.83581%0.813SS**  trans-158.5136.6136.600000110.5
347Y38Very low35.7Very low216 Ų216120.6 Ų120.685%0.84781%0.813SS**  trans-96.8150.6170.4-117.5-101.7000109.5I349Y347-I349 HydrophobicContact CE1-CD1 4.49Å
348G34.3Very low35.6Very low76 Ų76119.8 Ų119.878%0.78481%0.814SS**  trans-161.788.1178.500000113.8
349I37.3Very low35.9Very low141 Ų141124.1 Ų124.172%0.72382%0.816SS**  trans-99.2133.8170.2-60172.5000108.1Y347Y347-I349 HydrophobicContact CE1-CD1 4.49Å
350S36.8Very low35.9Very low124 Ų124125.5 Ų125.587%0.86782%0.82SS**  trans-150.8111.3168.9-75.70000111.3
351S36.4Very low36Very low121 Ų121124.5 Ų124.585%0.84682%0.819SS**  trans-86.9144.7165.4-59.40000109.8
352A36.6Very low35.1Very low108 Ų108122.9 Ų122.989%0.89382%0.816SS**  trans-127.2133.1165.800000109.7
353L33.5Very low35Very low176 Ų176130.1 Ų130.192%0.92182%0.82SS**  trans-115.8166.3-175.6172.963.6000109.6
354A35.3Very low35Very low90 Ų90132.2 Ų132.274%0.74482%0.822SS**  trans93.8150.2165.300000116.6
355A34Very low34.1Very low90 Ų90132.6 Ų132.674%0.74483%0.827SS**  cis-169.1173.7-23.800000110
356A34.5Very low34.2Very low85 Ų85131.2 Ų131.270%0.70283%0.825SS**  trans40.3100.5150.700000118.5
357S33.4Very low34.3Very low123 Ų123134.3 Ų134.386%0.8682%0.822SS**  68.7117.775.976.80000116.1
358G30.3Very low33.9Very low79 Ų79129.7 Ų129.781%0.81481%0.809SS**  trans177.7121.8167.600000113
359H39.1Very low34Very low192 Ų192134.3 Ų134.389%0.88981%0.809SS**  trans-108.6139.4176.1-65.297.1000110.9
360S33.3Very low33.8Very low132 Ų132134.9 Ų134.992%0.92381%0.809SS**  trans-167159.2151.9-85.20000110.2
361A34Very low34Very low97 Ų97135.2 Ų135.280%0.80281%0.808SS**  trans-124.6156.1-168.500000113.7
362A32.5Very low34.6Very low90 Ų90133.5 Ų133.574%0.74480%0.795SS**  trans62.4128.816400000118.9
363W30.5Very low34.3Very low262 Ų262136.1 Ų136.199%0.99279%0.788SS**  -161.3165.1123.9-95107.4000109
364L34.3Very low34.2Very low155 Ų155134.6 Ų134.681%0.81278%0.776SS**  trans-137.5120.2-165.8171.973.9000111.2
365S31.2Very low33.9Very low110 Ų110136.9 Ų136.977%0.76977%0.771SS**  trans174.2116.2142.2-85.30000116.6
366K32.4Very low33.6Very low187 Ų187139.7 Ų139.781%0.81377%0.769SS**  45.5117.2118.1-172.6-174.2179-1780121.6
367Q31.6Very low33.4Very low167 Ų167141.2 Ų141.278%0.7877%0.774SS**  -149.9156.5129.7-90.2-169.4-33.300108.1
368Q31.2Very low33.2Very low119 Ų119140.8 Ų140.856%0.55677%0.772SS**  cis-117-132.81.4-153.166.3-89.100107.9
369Q34.8Very low34.2Very low172 Ų172142.6 Ų142.680%0.80477%0.769SS**  cis-150.5-174.3-22.3-153.7143.8-42.100109.3
370Q33.3Very low33.9Very low154 Ų154142 Ų14272%0.7277%0.771SS**  trans-142.8163.7175-69.1-177.2-19.700111
371P41.4Very low33.8Very low130 Ų130139.5 Ų139.584%0.84477%0.766SS**  -115.9167.8105.4-7.927.6000114
372P48.9Very low33.7Very low86 Ų86140.7 Ų140.756%0.55877%0.769SS**  trans-135171-145.444.9-30.2000118.4
373Q31.6Very low33.6Very low162 Ų162143.4 Ų143.476%0.75777%0.771SS**  trans73.2136.9159.9-50.4-130.321.300115.6
374Q30.2Very low34.6Very low145 Ų145135.9 Ų135.968%0.67876%0.755SS**  cis-163.2177.817.8-127.117740.400109.8
375H28.5Very low34.4Very low138 Ų138133.8 Ų133.864%0.63975%0.754SS**  cis-152.2-47.5-0.6-151-15.5000118.2
376H29Very low34.4Very low148 Ų148138 Ų13869%0.68576%0.758SS**  trans-141.1144.9-156.1-63.4-49.5000118.6
377S29.5Very low34.5Very low117 Ų117133.2 Ų133.282%0.81875%0.754SS**  trans58.7120.4145.860.20000123.9
378S30.6Very low34.5Very low115 Ų115133.1 Ų133.180%0.80475%0.753SS**  trans-84.3179.8148.6-41.70000110.3
379P50.2Low34.6Very low116 Ų116133.9 Ų133.975%0.75376%0.76SS**  cis-140.3-176.26.344.8-26.7000116.9
380L33.4Very low34.6Very low181 Ų181133.5 Ų133.595%0.94876%0.755SS**  trans44.8117.4146.1-165.872.9000120.2
381G30.1Very low34.7Very low79 Ų79131.1 Ų131.181%0.81476%0.756SS**  trans-170.3160.8168.200000114
382S32Very low34.3Very low122 Ų122131.9 Ų131.985%0.85375%0.748SS**  trans-107.1175-178.458.10000113.6
383D31.8Very low33.6Very low147 Ų147132.2 Ų132.279%0.78676%0.758SS**  trans-33.7162.9160-105.3-49.6000116.2
384P50.3Low33.6Very low103 Ų103128.2 Ų128.267%0.66976%0.76SS**  cis-143.7-170.66.936.7-14.2000117.6
385S29.7Very low33.5Very low111 Ų111125.2 Ų125.278%0.77677%0.768SS**  trans79.2163.1153.8-58.10000119.7
386K31.3Very low33.7Very low199 Ų199124.9 Ų124.987%0.86578%0.781SS**  cis-178.4109.1-33.6174.7-172.2173.4-178.70110.3
387A35.1Very low33.8Very low87 Ų87121.2 Ų121.272%0.71978%0.784SS**  trans-169.9148.1163.600000109.9
388Q31.9Very low33.9Very low164 Ų164121.5 Ų121.577%0.76679%0.786SS**  cis-156.9146.9-3-126.8171-105.400110.5
389I33.5Very low33.9Very low136 Ų136124.4 Ų124.470%0.69779%0.787SS**  trans64.5108.5156.1-65.4162.1000115.7
390K34.8Very low33Very low163 Ų163129 Ų12971%0.70980%0.795SS**  69.6125.559.4-161.5168.773.2160.60110.7E392K390-E392 WeakPolarHBondContact CG-OE1 3.4Å
391S34.6Very low33.1Very low105 Ų105123.4 Ų123.473%0.73478%0.775SS**  cis-106.7-145.640.5-90.20000117.9
392E33Very low33.1Very low145 Ų145128.3 Ų128.368%0.67878%0.777SS**  trans-143.5169.2-15638.8-102.4118.600107.4K390K390-E392 WeakPolarHBondContact CG-OE1 3.4Å
393A33.8Very low33.1Very low93 Ų93126.6 Ų126.677%0.76977%0.77SS**  cis-144.1-174.127.200000110.5
394G31.5Very low33.3Very low78 Ų78124.7 Ų124.780%0.80478%0.775SS**  cis93.4127.314.800000111.7
395G29Very low32.5Very low82 Ų82125 Ų12585%0.84578%0.779SS**  cis-166.8-174.61.300000112.5
396S33.3Very low32.8Very low131 Ų131126.1 Ų126.192%0.91678%0.781SS**  trans-86.5141.7-170.6-176.30000114.7
397G31.2Very low32.9Very low72 Ų72119.9 Ų119.974%0.74277%0.773SS**  trans103.1119.3135.300000119.2
398S29.7Very low32.9Very low123 Ų123120.6 Ų120.686%0.8678%0.779SS**  trans-160.4171.2144.4-162.40000111
399H32.4Very low33.1Very low176 Ų176121.6 Ų121.682%0.81578%0.783SS**  trans-102.8159.3-167.4-59.2-119.3000113.9
400F29.3Very low33.1Very low212 Ų212120.7 Ų120.793%0.9378%0.784SS**  trans69.1134.5148.1-134.8-112.6000117.3
401A36.6Very low33.1Very low64 Ų64118.2 Ų118.253%0.52978%0.783SS.*  cis-163.8-170.2-6.500000111.2
402E29.2Very low32.9Very low181 Ų181123.8 Ų123.885%0.84679%0.789SS**  trans93.9139.8157.6-140.773.2164.900120.5
403A33.2Very low33.8Very low87 Ų87122.7 Ų122.772%0.71979%0.792SS**  trans65.581.8157.900000122.1
404A34.9Very low34.2Very low106 Ų106123.8 Ų123.888%0.87679%0.792SS**  trans49.7125.5130.200000123.5
405S35.3Very low34.4Very low110 Ų110128.2 Ų128.277%0.76980%0.796SS**  trans-80.4173.6163.8-150.70000110.7
406V34.7Very low35.1Very low135 Ų135129.7 Ų129.782%0.81879%0.793SS**  cis-147.1143.829.7-175.90000111.8
407G32.9Very low35.4Very low67 Ų67131.2 Ų131.269%0.69179%0.79SS**  trans-108.7161.6173.700000114.6
408A36.7Very low36Very low102 Ų102133.1 Ų133.184%0.84379%0.79SS**  trans-93.1164.8-179.600000113.6
409H36Very low36.2Very low186 Ų186136.7 Ų136.786%0.86179%0.792SS**  trans-143.1159.1163.757.7-88.5000110.8
410V33.9Very low36.3Very low116 Ų116139.5 Ų139.570%0.70380%0.797SS**  trans-142.5141.8-150.8175.60000113
411T34.2Very low36.3Very low112 Ų112134.4 Ų134.469%0.68779%0.788SS**  trans63.9148.217045.70000117
412Y30.9Very low36.2Very low222 Ų222137.1 Ų137.187%0.87180%0.803SS**  cis-135.7158.638.8-101-100.3000115.9
413T50.4Low36.5Very low122 Ų122132.3 Ų132.375%0.74879%0.794SS**  trans-97.6164.7172.929.50000112.3
414P43.8Very low36.6Very low116 Ų116138 Ų13875%0.75380%0.803SS**  -148.3147.2105.837.1-21.1000117.2
415L34.2Very low37.4Very low171 Ų171139.1 Ų139.190%0.89580%0.801SS**  trans60.1148.8152.8-90.260.5000121.4
416S44Very low37.3Very low112 Ų112139.5 Ų139.578%0.78380%0.804SS**  trans-153.6148.2-176.7-52.50000111
417L39Very low37.3Very low164 Ų164141.5 Ų141.586%0.85981%0.809SS**  trans154.7159.8144.2-106.667.9000110.2
418P45Very low37.5Very low112 Ų112142.5 Ų142.573%0.72781%0.811SS**  cis-122.6156.8-34.435.1-21.5000112
419H33.1Very low37.4Very low197 Ų197143.3 Ų143.391%0.91281%0.811SS**  trans-110.2146.2162.3-85.9-65.6000110.8
420Y34.3Very low37.1Very low235 Ų235145.2 Ų145.292%0.92281%0.81SS**  trans-69.7150.1-178-139.7-101.7000111.5
421S30.9Very low37.3Very low106 Ų106143.9 Ų143.974%0.74181%0.812SS**  trans-80.2142-171.8-170.30000113.1
422S34Very low37.4Very low120 Ų120146.5 Ų146.584%0.83982%0.816SS**  trans-121.8135.5155.3600000108.6
423A35.9Very low37.5Very low80 Ų80144.7 Ų144.766%0.66181%0.813SS**  trans-133.3118.9-168.800000112.1
424F35Very low36.7Very low207 Ų207142.5 Ų142.591%0.90881%0.807SS**  trans-136.3112.8161.4-79.6-73.1000108.3
425P50.4Low36Very low129 Ų129144.5 Ų144.584%0.83881%0.806SS**  trans-84.1138.2169.532.7-31000110.5
426S33.9Very low35.9Very low118 Ų118146.5 Ų146.583%0.82580%0.804SS**  trans-111.2131.8165.6179.50000109.1
427L34.3Very low35.6Very low177 Ų177145.2 Ų145.293%0.92780%0.8SS**  trans-142.8135.6166.6-93.1174.4000109.3
428A36.7Very low35.2Very low89 Ų89144.1 Ų144.174%0.73680%0.795SS**  trans-106.2157.6176.800000110.7
429S35.8Very low34.9Very low119 Ų119146.3 Ų146.383%0.83280%0.795SS**  trans-173.5131.4145.5-91.30000115.9
430R29.2Very low35.2Very low226 Ų226145 Ų14585%0.85379%0.789SS**  trans76.7147.3140.3-156168-172.7142.11.7119.4
431A38.4Very low35.7Very low88 Ų88138.9 Ų138.973%0.72778%0.778SS**  trans-138.7154.9-175.700000111.8
432Q35.8Very low36.2Very low166 Ų166139.3 Ų139.378%0.77678%0.781SS**  trans179.3153.5166.8-98.6159.2-106.800107.6
433F33Very low36Very low185 Ų185136.7 Ų136.781%0.81177%0.774SS**  cis-170.1158.9-29.8-172.6-102.5000108.4
434A34.9Very low36.3Very low76 Ų76138.9 Ų138.963%0.62878%0.779SS**  trans64.2162.2170.300000117.5
435E28.9Very low36.3Very low157 Ų157138.1 Ų138.173%0.73477%0.771SS**  cis-167.8177.3-26.6-172164137.300108.4
436Y31Very low35.5Very low213 Ų213140.6 Ų140.684%0.83577%0.765SS**  trans71157.1178.9-81.4-97.9000118.4
437A37.7Very low35.5Very low85 Ų85137.9 Ų137.970%0.70276%0.756SS**  -174153.4-70.600000112.4
438D31.7Very low35.5Very low141 Ų141136.8 Ų136.875%0.75475%0.746SS**  trans82.6157.3149.3-133.5-20.8000122.4
439H37Very low35.6Very low159 Ų159137.8 Ų137.874%0.73675%0.747SS**  trans81.277.8161.6-57.2-14.9000120.8
440Q40.3Very low35.5Very low168 Ų168135.7 Ų135.779%0.78575%0.745SS**  trans-59.3158.4130.2-88.9-78.2-32.600110.1
441P44.6Very low35.9Very low107 Ų107134.2 Ų134.270%0.69575%0.747SS**  -158.4164.160.942.6-21000120.9
442S42.8Very low35.8Very low115 Ų115134.1 Ų134.180%0.80475%0.747SS**  trans66.5148.8145.2-65.20000121.4
443G29.7Very low35.9Very low66 Ų66132.1 Ų132.168%0.6875%0.751SS**  cis179157.1-5.800000117.2
444T40.5Very low36.2Very low125 Ų125126.6 Ų126.677%0.76775%0.747SS**  trans6.9131.3147-30.50000120.8
445Y34.8Very low36.8Very low191 Ų191131.5 Ų131.575%0.74976%0.761SS**  -179.9156.3101.1-119.4-78.5000118
446Y34.4Very low37.2Very low181 Ų181134.6 Ų134.671%0.7177%0.768SS**  trans76.3145.3152.7-96-63.3000122.3H448Y446-H448 AromaticContact CD1-CD2 3.94Å; Y446-H448 AromaticContact CD1-NE2 3.34Å; Y446-H448 VanDerWaalsContact CD1-NE2 3.34Å; Y446-H448 WeakPolarHBondContact CD1-NE2 3.5Å; Y446-H448 AromaticContact CE1-CE1 3.84Å; Y446-H448 AromaticContact CE1-NE2 3.35Å; Y446-H448 WeakPolarHBondContact CE1-NE2 3.47Å
447G34.4Very low37.6Very low62 Ų62128.5 Ų128.564%0.63976%0.756SS**  trans-164.6148.516900000111.9
448H35Very low37.4Very low153 Ų153129.1 Ų129.171%0.70876%0.761SS**  trans-151.8118.9-179.1-70.3-68.2000106.5Y446Y446-H448 AromaticContact CD1-CD2 3.94Å; Y446-H448 AromaticContact CD1-NE2 3.34Å; Y446-H448 VanDerWaalsContact CD1-NE2 3.34Å; Y446-H448 WeakPolarHBondContact CD1-NE2 3.5Å; Y446-H448 AromaticContact CE1-CE1 3.84Å; Y446-H448 AromaticContact CE1-NE2 3.35Å; Y446-H448 WeakPolarHBondContact CE1-NE2 3.47Å
449S37.3Very low37.6Very low110 Ų110130.9 Ų130.977%0.76976%0.763SS**  80.410367.176.50000115.9
450G35.1Very low37.6Very low75 Ų75129.6 Ų129.677%0.77377%0.771SS**  trans113.7154.5133.600000120.9
451Q36.3Very low37.6Very low195 Ų195130.6 Ų130.691%0.91177%0.769SS**  trans75.6158.2159.9-68.9-7011.800120.7
452A37.1Very low37.5Very low86 Ų86134.1 Ų134.171%0.71178%0.779SS**  trans-145.6159.2-167.700000113
453S37.3Very low37.1Very low124 Ų124131 Ų13187%0.86776%0.764SS**  trans-178.1142.6156.9-81.40000108.9
454G40.3Very low38.1Very low70 Ų70133.7 Ų133.772%0.72277%0.77SS**  cis112.768.6-7.400000114.9
455L47.7Very low37.8Very low178 Ų178133.2 Ų133.293%0.93277%0.772SS**  trans-136.7135.6167.4-75.1178.6000112.9
456Y37.5Very low37.9Very low223 Ų223132.9 Ų132.988%0.87578%0.777SS**  trans-67.9177165.8-99.6-139.8000111.4
457S37.6Very low38.1Very low84 Ų84133.7 Ų133.759%0.58778%0.779SS**  cis174.8152.3-22.9174.10000107.1
458A34.2Very low38.5Very low98 Ų98136.9 Ų136.981%0.8179%0.788SS**  trans-147.7125.2165.900000111.3
459F36.5Very low38.6Very low179 Ų179136 Ų13679%0.78579%0.788SS**  trans-82.9150.2177-90.8-118.1000112
460S37.2Very low38.5Very low131 Ų131140.9 Ų140.992%0.91679%0.791SS**  trans-160.380.2142.1-83.80000110.4
461Y39.2Very low38.5Very low190 Ų190142.2 Ų142.275%0.74578%0.784SS**  trans-104.6123.8162.8178.7-88.2000107.9
462M42.2Very low38.5Very low181 Ų181136.6 Ų136.689%0.89277%0.771SS**  trans-136.9131.2166.3-90.1-67.9106.500109.5
463G35.2Very low38.4Very low48 Ų48140.5 Ų140.550%0.49578%0.778SS.*  trans-87.3-176.6-178.500000113.5
464P50.3Low38.3Very low123 Ų123141 Ų14180%0.79978%0.776SS**  trans-92174.3-168.336.7-37.1000114.8
465S34.8Very low37.9Very low116 Ų116144.5 Ų144.581%0.81178%0.778SS**  trans84.8120.3165.979.70000118.4
466Q36.3Very low38.1Very low184 Ų184140.2 Ų140.286%0.8676%0.762SS**  trans-153.9148.4136.8-97.7-62.23.200107.6
467R38.2Very low37.8Very low197 Ų197135.6 Ų135.674%0.74376%0.756SS**  trans-108.3157.8171.7-86.1-170.2179.6-176.10.4109.8
468P43.3Very low37.7Very low130 Ų130137.5 Ų137.584%0.84477%0.77SS**  trans-103166.3134.6-1733.8000113
469L38Very low37.8Very low133 Ų133137.8 Ų137.870%0.69677%0.772SS**  trans-140.2157-177.8-82170.8000111.4
470Y33.6Very low37.6Very low214 Ų214134.3 Ų134.384%0.83977%0.77SS**  trans74.4147.6157.7-114.5-144.1000116.9
471T36.4Very low37.4Very low102 Ų102135.4 Ų135.463%0.62676%0.761SS**  cis-155.3161.210.7-28.90000114.6
472A36.1Very low37Very low77 Ų77132.2 Ų132.264%0.63677%0.766SS**  trans97.7110136.800000122.7
473I35.1Very low36.9Very low168 Ų168130.5 Ų130.586%0.86276%0.756SS**  trans74.6151.1145.5-68.5170.3000114.3
474T35.1Very low37.2Very low135 Ų135134 Ų13483%0.82877%0.772SS**  cis-118.7-170.720.159.70000116.1
475D30.8Very low36.8Very low143 Ų143134 Ų13477%0.76577%0.773SS**  trans-139.8171169.8-173.650.5000106.8
476P51.8Low37.5Very low89 Ų89135.4 Ų135.458%0.57878%0.777SS**  cis-125170.3-13.516.77.9000115.4
477T32.6Very low37.7Very low125 Ų125133.3 Ų133.377%0.76777%0.767SS**  163.7136.3112.638.70000114.5
478S34.3Very low37.7Very low125 Ų125135.9 Ų135.987%0.87478%0.776SS**  trans65.4148168.879.40000117.1
479A37.6Very low37.6Very low104 Ų104137 Ų13786%0.8677%0.77SS**  cis-138.7170.8-3.800000111.1
480S31.4Very low37.7Very low105 Ų105138.8 Ų138.873%0.73478%0.775SS**  trans-102.2134.7-164.656.40000116.3
481Q34.1Very low38.7Very low155 Ų155134 Ų13472%0.72477%0.771SS**  trans46107136.2-57.4179.910.800119.3H483Q481-H483 PolarHBondContact OE1-NE2 3.32Å
482S29.5Very low38.9Very low123 Ų123135.6 Ų135.686%0.8678%0.779SS**  trans-87.3109.6159.955.60000111.4
483H40.2Very low39.1Very low145 Ų145142 Ų14267%0.67179%0.789SS**  trans-104.6138.1170.6-66.5-69.9000110.9Q481Q481-H483 PolarHBondContact OE1-NE2 3.32Å
484S41.8Very low39.8Very low120 Ų120140 Ų14084%0.83979%0.785SS**  trans-92.8127.8178.6-57.50000111.9
485P42.3Very low40.5Very low125 Ų125140 Ų14081%0.81278%0.784SS**  trans-92.6127.1164.4-6.726.5000111.6
486T48.9Very low41.3Very low145 Ų145141.3 Ų141.389%0.8979%0.79SS**  trans-77.6115176.7-52.10000111.7
487H40.9Very low41.2Very low140 Ų140142.6 Ų142.665%0.64880%0.802SS**  trans-160121.7161.9-173.5-122.7000111.8E489H487-E489 IonicContact CE1-OE2 3.48Å; H487-E489 PolarHBondContact CE1-OE2 3.45Å
488W37.8Very low41.8Very low250 Ų250148 Ų14895%0.94781%0.808SS**  trans-122.3104.9165.1-81.8104.6000108.2
489E41.9Very low43Very low153 Ų153151.5 Ų151.572%0.71583%0.828SS**PPolyproline II helixtrans-80.5150.8173.3-143.6178.114700110.9H487H487-E489 IonicContact CE1-OE2 3.48Å; H487-E489 PolarHBondContact CE1-OE2 3.45Å
490Q39.3Very low43.3Very low171 Ų171153.9 Ų153.980%0.79983%0.826SS**PPolyproline II helixtrans-93.5136.6-178.8-61.3-175.918.700111V492Q490-V492 PolarHBondContact O-N 2.71Å
491P54.4Low43.9Very low115 Ų115156.4 Ų156.475%0.74783%0.831SS**PPolyproline II helixtrans-70121.7176.428.2-33.6000111.1Y493P491-Y493 PolarHBondContact O-N 3.3Å
492V41.8Very low44.4Very low134 Ų134156.5 Ų156.581%0.81284%0.837SS**PPolyproline II helixtrans-72.7123176.9178.90000110.3Q490Q490-V492 PolarHBondContact O-N 2.71Å
493Y39.8Very low45.3Very low212 Ų212158.5 Ų158.583%0.83184%0.836SS**PPolyproline II helixtrans-72.5128.7172.1-89.7-101.1000111.2P491P491-Y493 PolarHBondContact O-N 3.3Å
494T50.3Low45.6Very low127 Ų127159.3 Ų159.378%0.77985%0.846SS**PPolyproline II helixtrans-92.4122.8165.8540000110.1
495T50Low45.9Very low134 Ų134161.9 Ų161.982%0.82285%0.846SS**  trans-95.7104.3178.3530000110.8S497T495-S497 PolarHBondContact O-N 3.49Å
496L47.5Very low46.1Very low170 Ų170164.6 Ų164.689%0.8985%0.849SS**  trans-78.8113.2169.3-92.6160.1000110.5
497S48.8Very low45.9Very low116 Ų116166.1 Ų166.181%0.81185%0.846SS**  trans-65.7149.1165.8-82.20000111.1T495T495-S497 PolarHBondContact O-N 3.49Å
498R45Very low46.3Very low238 Ų238168.3 Ų168.390%0.89886%0.862SS**  trans-79.5155.2168.8-77.9-174.7169.8-145.4-4.1111.3
499P59.5Low47.1Very low199 Ų199160.8 Ų160.8100%1.29285%0.854SS**  trans-68.70167.833.3-37.1000112

Retrieved 499 of 499 residues in 182.6 ms (Link to these results)