A0A077Z2R8_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077Z2R8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 781 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
1M34.9Very low33.3Very low238 Ų238149 Ų149100%1.17282%0.822SS**  0146.90-68.8173.167.800107.4
2S33.3Very low33.3Very low109 Ų109150 Ų15076%0.76282%0.82SS**  trans55.9108.5-170.3-121.50000113.9
3T32.4Very low32.9Very low122 Ų122148.2 Ų148.275%0.74882%0.816SS**  cis61.4100.337.3810000114.9
4V38.8Very low33.3Very low145 Ų145146.8 Ų146.888%0.87982%0.815SS**  trans-137.7120.4130.6-177.30000107
5E31.8Very low33.2Very low185 Ų185145.1 Ų145.186%0.86481%0.81SS**  trans-110.9-174.7164.5-72.1-173.5115.100108.8
6S35Very low33.2Very low112 Ų112147.4 Ų147.478%0.78381%0.813SS**  trans88.3141.5-177.7-146.30000113.1
7V38.3Very low33.5Very low139 Ų139144.8 Ų144.884%0.84282%0.815SS**  cis-120.9148.319-178.30000112.6
8D31.6Very low33.5Very low112 Ų112146.6 Ų146.660%0.59982%0.822SS**  trans-130.1160.2178.2-178.623.6000111
9K30.8Very low33.7Very low172 Ų172142.9 Ų142.975%0.74882%0.82SS**  trans58119.7171.8-70137.6-177.1141.50119
10M30.2Very low33.9Very low177 Ų177143.7 Ų143.787%0.87282%0.816SS**  -144.498.6127-161.3176.9-63.600111.3
11V28.9Very low33.9Very low128 Ų128142.9 Ų142.978%0.77681%0.809SS**  trans-112.4121.4164.6174.10000107T13V11-T13 HydrophobicContact CG1-CG2 4.33Å
12M33.6Very low34Very low161 Ų161138.4 Ų138.479%0.79379%0.79SS**  trans-112.8108.7174.9-95.1-73-175.600109.3
13T28.5Very low34Very low126 Ų126139.8 Ų139.877%0.77378%0.784SS**  trans-117.1120167.149.80000108.3V11V11-T13 HydrophobicContact CG1-CG2 4.33Å
14T37.6Very low34.3Very low129 Ų129140.5 Ų140.579%0.79179%0.788SS**  trans-126.8152.7173.245.10000110.4
15T32.9Very low34.1Very low121 Ų121138.4 Ų138.474%0.74278%0.776SS**  trans-110.7160-156.617.50000114.4
16E33Very low34.5Very low183 Ų183138.8 Ų138.886%0.85578%0.777SS**  trans53.7119.3145.7-67168.1-159.900121.1
17A37.6Very low34.4Very low103 Ų103145.3 Ų145.385%0.85178%0.784SS**  trans-163.3137.9134.100000112.8
18N34.1Very low34.2Very low176 Ų176141.9 Ų141.994%0.94178%0.777SS**  trans-68.1158.7-171.7-61.3-53.7000117.4
19G37.7Very low34.6Very low77 Ų77143.3 Ų143.379%0.79479%0.79SS**  trans140.6132.2150.900000115.3
20H36.4Very low34.5Very low159 Ų159142.3 Ų142.374%0.73679%0.793SS**  cis167.3114.5-27162.588.2000105.9
21L34.4Very low35Very low127 Ų127140.6 Ų140.667%0.66579%0.792SS**  trans60.4162.7168.8-90.758.1000117.4
22D38.2Very low35.1Very low143 Ų143140.4 Ų140.477%0.76579%0.791SS**  cis-141.1170.39.4-140.4-22.5000114.5
23E32.7Very low35.3Very low138 Ų138138.3 Ų138.365%0.64579%0.793SS**  trans-89.2136.9-179.1-174.9-169.3151.100113.3T25E23-T25 PolarHBondContact OE1-OG1 3.35Å
24V39.1Very low35.5Very low138 Ų138139.7 Ų139.784%0.83680%0.796SS**  trans-137.9108.1153.6-176.50000110.7
25T33.2Very low35.4Very low101 Ų101141 Ų14162%0.6280%0.798SS**  trans-88.9144.8169.130.30000111.5E23E23-T25 PolarHBondContact OE1-OG1 3.35Å
26H41.2Very low35.3Very low193 Ų193140 Ų14089%0.89480%0.795SS**  trans-152.1158.2155.2-103.6-71.9000112.2
27R32.8Very low35.4Very low248 Ų248138 Ų13894%0.93680%0.796SS**  trans-107.8158.8-160.3-69.8170.8151.2-148.8-2.4114.7
28G34.8Very low35Very low67 Ų67138.7 Ų138.769%0.69179%0.793SS**  trans111.2148.3146.500000115.2
29T38.4Very low34.6Very low142 Ų142137.9 Ų137.987%0.87179%0.788SS**  cis-161.8155.8-5.6-2.50000109.5
30D30.3Very low34.4Very low152 Ų152143.5 Ų143.581%0.81379%0.794SS**  trans-66140.9178.1-53.3-88.6000113.9
31V38.9Very low33.9Very low141 Ų141141 Ų14186%0.85579%0.794SS**  trans-142.4123.7145.3-177.30000108.7
32T30.9Very low33.9Very low123 Ų123140.9 Ų140.976%0.75580%0.801SS**  trans-91.6143.4172.450.30000111.4
33S38.8Very low33.4Very low118 Ų118145.4 Ų145.483%0.82581%0.807SS**  trans-163141.2147.9-76.50000110
34D32.6Very low33.3Very low155 Ų155146.1 Ų146.183%0.82982%0.815SS**  trans-67154168.8-50.8-96000111
35D36.4Very low32.7Very low157 Ų157146 Ų14684%0.8482%0.815SS**  -165.3164.6104-131.5-39.5000112.8
36S29.6Very low32.6Very low98 Ų98146.5 Ų146.569%0.68582%0.818SS**  trans-87.3152.7-179.667.70000113.6
37V34.2Very low31.8Very low143 Ų143140.7 Ų140.787%0.86781%0.81SS**  trans-167.1159.5140.2131.70000112.5
38C29.2Very low31.5Very low116 Ų116139.2 Ų139.278%0.78481%0.806SS**  trans-75.7169-159.5-55.50000118.3
39N27.6Very low31Very low159 Ų159147 Ų14785%0.8582%0.816SS**  trans-42.8141163.6-58-74.9000114.6
40E32.3Very low30.6Very low196 Ų196148.5 Ų148.592%0.91682%0.818SS**  trans-140152.6145.1-113.9-172.9172.700110.7
41S26.9Very low30.3Very low106 Ų106145.2 Ų145.274%0.74181%0.807SS**  trans-119.6131.1-178-67.60000111R43S41-R43 PolarHBondContact O-N 3.42Å
42P34.5Very low29.9Very low124 Ų124146 Ų14681%0.80580%0.801SS**  trans-72.9103.4-179.629-33.7000111.2
43R26.8Very low30Very low238 Ų238146.6 Ų146.690%0.89881%0.805SS**  trans-72.6119.7158.9-81.2178.3162.9174.9-4.9108.8S41S41-R43 PolarHBondContact O-N 3.42Å
44L31.2Very low29.4Very low154 Ų154143.8 Ų143.881%0.80680%0.795SS**  trans-122.7108168.8-96.8161.7000109.9
45T25.9Very low29.3Very low135 Ų135147.6 Ų147.683%0.82880%0.799SS**  trans-106.5108.5-178.8-46.80000109.3
46T31.3Very low28.9Very low111 Ų111146.8 Ų146.868%0.68180%0.8SS**  trans-143.9108.4172.5-1.20000109.8Y48T46-Y48 HydrophobicContact CG2-CE2 4.38Å
47G23.7Very low28.9Very low72 Ų72148 Ų14874%0.74280%0.803SS**  trans-96.8136.8175.900000111.5
48Y27.4Very low28.9Very low216 Ų216146.7 Ų146.785%0.84780%0.797SS**  trans-132.5124.2165.6-80.5-82.7000109.6T46T46-Y48 HydrophobicContact CG2-CE2 4.38Å
49Y23.5Very low28.8Very low231 Ų231146.1 Ų146.191%0.90680%0.795SS**  trans-74.7142.6167.9-84.6-108.3000109.9
50L29.5Very low28.9Very low173 Ų173149.1 Ų149.191%0.90680%0.796SS**  trans-167.2149134.4-104156.3000110.1
51S25.5Very low28.8Very low84 Ų84144.6 Ų144.659%0.58779%0.786SS**  trans-110.7-175-166.445.70000113.3
52H30.4Very low28.8Very low157 Ų157145.8 Ų145.873%0.72779%0.791SS**  trans83131.2173.3-45-72.1000115.1
53T32.3Very low28.6Very low135 Ų135146.5 Ų146.583%0.82879%0.786SS**  cis-157.9143.9-2.82.10000111.9
54G27.5Very low28.8Very low60 Ų60142 Ų14262%0.61978%0.778SS**  trans68.888.3142.800000119.6
55Y30Very low28.6Very low234 Ų234143.5 Ų143.592%0.91878%0.78SS**  trans-145.3150.7130.1-87.7-68.3000108.9
56T28.2Very low28.9Very low141 Ų141145.1 Ų145.187%0.86578%0.778SS**  trans-79.9138.5-173.436.80000112.2
57V29.6Very low28.8Very low124 Ų124150.5 Ų150.575%0.75279%0.786SS**  trans-119.4123.3179.1177.50000109.4S59V57-S59 PolarHBondContact O-N 3.35Å
58P33.2Very low29Very low114 Ų114153.3 Ų153.374%0.7479%0.791SS**  trans-65.7114.9167.4-18.432000109.9Y60P58-Y60 PolarHBondContact O-N 2.99Å
59S27.8Very low29.1Very low104 Ų104148.8 Ų148.873%0.72779%0.785SS**  trans-78.9106.9-175.956.10000112.1V57V57-S59 PolarHBondContact O-N 3.35Å
60Y29.9Very low29.2Very low223 Ų223145.8 Ų145.888%0.87579%0.785SS**  trans-115110163.4-90.2-83.3000110.7P58P58-Y60 PolarHBondContact O-N 2.99Å
61S28.9Very low29.2Very low100 Ų100142.9 Ų142.970%0.69977%0.769SS**  trans-84120.8-173.9-56.80000112.1I63S61-I63 PolarHBondContact O-N 2.88Å; S61-I63 VanDerWaalsContact O-N 3.15Å
62P27.7Very low29.2Very low131 Ų131147.6 Ų147.685%0.85178%0.782SS**  trans-87.978.6-179.634.5-33.9000111.3
63I30Very low29.1Very low139 Ų139149.8 Ų149.871%0.71379%0.785SS**  trans-130.5123-172.1-68.1-173.7000113.1S61S61-I63 PolarHBondContact O-N 2.88Å; S61-I63 VanDerWaalsContact O-N 3.15Å
64M31.2Very low28.9Very low145 Ų145148.6 Ų148.671%0.71478%0.777SS**  trans75.2119.1160.2-65.9-76-85.400120.4
65H28.4Very low29Very low184 Ų184151.6 Ų151.685%0.85279%0.786SS**  trans-59.5141.5151.2-56.3-101.3000110.5
66H32.1Very low28.7Very low170 Ų170146.4 Ų146.479%0.78777%0.773SS**  trans-146154.5146.3-92.6-69.8000111.6
67R29.4Very low28.7Very low224 Ų224146.2 Ų146.285%0.84576%0.762SS**  trans-76.2158.2176.9-82.2178.4173162.1-2.9110.9V69R67-V69 PolarHBondContact O-N 3.4Å
68P27.4Very low28.6Very low131 Ų131150 Ų15085%0.85176%0.763SS**  trans-61.8134.3177.526.5-35.5000111.4
69V29.8Very low28.5Very low121 Ų121150.8 Ų150.873%0.73377%0.771SS**  trans-128125.1169.3-171.40000107.3R67 I71R67-V69 PolarHBondContact O-N 3.4Å; V69-I71 HydrophobicContact CG1-CD1 4.02Å; V69-I71 HydrophobicContact CG1-CG1 3.97Å
70N25.8Very low28.6Very low167 Ų167149.3 Ų149.389%0.89377%0.772SS**  trans-89.2108.3-175.5-169.633.2000109.6
71I29.3Very low28.7Very low113 Ų113144.5 Ų144.558%0.57977%0.771SS**  trans-141.6120.3177.3-48.8-179.5000109.9V69 Y73V69-I71 HydrophobicContact CG1-CD1 4.02Å; V69-I71 HydrophobicContact CG1-CG1 3.97Å; I71-Y73 HydrophobicContact CG2-CD2 3.77Å; I71-Y73 HydrophobicContact CG2-CE2 3.71Å
72E25Very low28.6Very low182 Ų182145.5 Ų145.585%0.8578%0.776SS**  trans-69.1130.8165.9-62.3172.6106.700110
73Y28.8Very low28.8Very low204 Ų204147.6 Ų147.680%0.878%0.775SS**  trans-122.399.8169.5-103.9-81.2000111.2I71I71-Y73 HydrophobicContact CG2-CD2 3.77Å; I71-Y73 HydrophobicContact CG2-CE2 3.71Å
74V27Very low29Very low109 Ų109148.5 Ų148.566%0.66178%0.781SS**  trans-80.3121.1169.1-174.70000108.5I76V74-I76 HydrophobicContact CG1-CD1 4.09Å; V74-I76 HydrophobicContact CG1-CG1 3.93Å; V74-I76 PolarHBondContact O-N 3.21Å
75P29.3Very low28.8Very low124 Ų124147.5 Ų147.581%0.80579%0.787SS**  trans-83.799.3-174.831.7-33.8000111.9
76I25Very low28.9Very low124 Ų124144.1 Ų144.164%0.63678%0.783SS**  trans-140.7104171.1-29.1179.4000112.5V74V74-I76 HydrophobicContact CG1-CD1 4.09Å; V74-I76 HydrophobicContact CG1-CG1 3.93Å; V74-I76 PolarHBondContact O-N 3.21Å
77H27.6Very low28.9Very low138 Ų138141.5 Ų141.564%0.63978%0.782SS**  171.8140.7107.3-101.9-34.3000116.1
78R27.3Very low29Very low204 Ų204135.9 Ų135.977%0.7778%0.777SS**  trans58.898139.1-60.1166.1-155.2-142.15.3119
79S30.4Very low29Very low130 Ų130134.7 Ų134.791%0.90977%0.772SS**  -158155.9105.351.80000110
80G30.9Very low29.1Very low73 Ų73134.1 Ų134.175%0.75377%0.774SS**SBendtrans116.1107.4-17600000113.8
81S32.5Very low29.5Very low121 Ų121132.1 Ų132.185%0.84677%0.768SS**  trans-2.5110.6168.452.70000118.9
82C25.6Very low29.6Very low121 Ų121133.7 Ų133.782%0.81877%0.772SS**  trans-90.1121.9157.4-177.20000109.4
83Q32.3Very low29.9Very low175 Ų175133.3 Ų133.382%0.81877%0.768SS**  trans-135.9148.9162.2-72.7-164.5-0.100109.4
84N34.4Very low29.9Very low159 Ų159129.5 Ų129.585%0.8577%0.77SS**  trans67.7142.8-169.7-60-17.3000115
85C26.8Very low29.8Very low124 Ų124127.5 Ų127.584%0.83877%0.771SS**  trans-138.2-168.3-154.7-164.90000111.1
86C31Very low29.9Very low112 Ų112131 Ų13176%0.75778%0.777SS**  trans75.4125.8-176.2-510000112.8
87C31.9Very low30Very low115 Ų115132.8 Ų132.878%0.77779%0.786SS**  cis-126.214710.3-65.40000109.3
88S31Very low30.1Very low106 Ų106132.1 Ų132.174%0.74179%0.794SS**  55.7127.463.7-47.40000113.5
89S27.6Very low30.3Very low106 Ų106131.8 Ų131.874%0.74180%0.802SS**  cis170.5125.5-1940.50000108.2
90S32.2Very low30.1Very low110 Ų110130 Ų13077%0.76979%0.794SS**  trans171.8133.8143.3520000114.5
91T32.9Very low30Very low124 Ų124137.4 Ų137.476%0.76180%0.801SS**  trans34.8158.4138.3610000124.5
92Q32.7Very low29.9Very low146 Ų146136.1 Ų136.168%0.68280%0.798SS**  cis178.7153.2-31.3-154.4167.80.600107.9
93F30.9Very low29.9Very low174 Ų174139.2 Ų139.276%0.76380%0.8SS**  trans66143.9177.6-52.2-79.4000115.3
94C27.9Very low29.9Very low124 Ų124136.6 Ų136.684%0.83880%0.799SS**  cis100.4103.213.6-167.10000115.8
95G26Very low29.8Very low67 Ų67137.9 Ų137.969%0.69180%0.801SS**  trans120.9149.1145.900000118.8
96Q31.3Very low29.9Very low199 Ų199136.2 Ų136.293%0.9380%0.797SS**  trans81.9146.5158.5-53.1-173.4400120.1
97I26.9Very low29.9Very low161 Ų161136.5 Ų136.583%0.82680%0.797SS**  trans-134.4139.6178.1-49.9169.4000106.8
98P30.7Very low29.8Very low124 Ų124137.1 Ų137.181%0.80580%0.801SS**  trans-143.2158.1138.434.2-18.5000115
99Q29.9Very low29.6Very low197 Ų197136.4 Ų136.492%0.92180%0.802SS**  trans-89.4142.2169-58.7170.9-56.500110.9
100A26.1Very low29.9Very low92 Ų92136.6 Ų136.676%0.7680%0.8SS**  trans-163.4119.3164.100000116.1
101Y28.6Very low29.8Very low228 Ų228137.4 Ų137.489%0.89480%0.801SS**  trans48.2117.6138.8-68.8-86.1000125.3
102A30.6Very low29.7Very low95 Ų95138.6 Ų138.679%0.78580%0.801SS**  76.7135.312300000123.7
103H26.5Very low29.8Very low186 Ų186138.3 Ų138.386%0.86181%0.809SS**  trans-82.9169.4167.9-57.5-85.2000112.8
104P32.7Very low29.9Very low120 Ų120133.7 Ų133.778%0.77981%0.81SS**  -150.6138.6106.736.3-18.9000118.4
105M31.7Very low30.1Very low185 Ų185131.4 Ų131.491%0.91181%0.808SS**  trans51.6129.2139.3-53.4-165.676.300123.1
106A28.2Very low30.4Very low89 Ų89136.7 Ų136.774%0.73682%0.82SS**  trans-103.6166.917200000113.9
107P31.1Very low30.1Very low118 Ų118132.6 Ų132.677%0.76681%0.812SS**  trans-126152.9170.939.3-26.6000116.9
108C30.1Very low30.4Very low128 Ų128131.8 Ų131.887%0.86582%0.815SS**  trans69.4103.6152.5-64.60000122
109A27.5Very low30.2Very low91 Ų91136.3 Ų136.375%0.75282%0.817SS**  trans-77.7-175.2144.800000111.2
110P33.7Very low30.2Very low110 Ų110132 Ų13271%0.71482%0.815SS**  -156.816699.839.8-21.7000118.6
111T30.5Very low30.3Very low128 Ų128132 Ų13279%0.78582%0.815SS**  trans68.9150153.427.20000118.6
112I31.2Very low30.5Very low148 Ų148126.8 Ų126.876%0.75981%0.812SS**  cis-132.8135.916.4-67.9-177.7000112.5
113V33.5Very low30.4Very low141 Ų141130.2 Ų130.286%0.85582%0.817SS**  trans17.2137.4145.8-171.20000119.4
114G33.3Very low30.8Very low76 Ų76127 Ų12778%0.78482%0.815SS**  cis151.3171.37.500000109.1
115G32.8Very low30.9Very low77 Ų77127 Ų12779%0.79481%0.813SS**  cis-146.2-158.3-7.600000108.2
116L32.2Very low31.1Very low178 Ų178125.6 Ų125.693%0.93281%0.809SS**  cis-147.3155.212.3-97.4162.6000109.3
117C25.1Very low31.3Very low113 Ų113129.4 Ų129.476%0.76481%0.812SS**  trans-117.1161.1176.9-52.20000111.8
118T33.5Very low31.6Very low144 Ų144129.3 Ų129.388%0.88381%0.814SS**  trans-135.7127.5153.837.70000110.6
119Y25.8Very low31.7Very low219 Ų219130.7 Ų130.786%0.85981%0.807SS**  trans-76153.2176.7-91.4-128.8000112.3
120A30.3Very low32.2Very low106 Ų106132 Ų13288%0.87681%0.808SS**  trans-152.9107.6137.200000109.5
121A26.8Very low32.3Very low93 Ų93134 Ų13477%0.76981%0.808SS**  trans-136.4125.9169.900000108.4
122S33Very low32.6Very low117 Ų117136.9 Ų136.982%0.81881%0.812SS**  trans-159124.1178.151.80000109.8
123N29.1Very low32.7Very low168 Ų168135.1 Ų135.190%0.89881%0.811SS**  trans-74.7147-178.2-56.9-36.9000111.7
124S35Very low32.9Very low118 Ų118133.6 Ų133.683%0.82580%0.804SS**  trans-144.6109.2147.957.80000109
125V35.2Very low33.1Very low119 Ų119135.9 Ų135.972%0.72180%0.802SS**  trans-70.4139.5164.6172.30000107.7Q127V125-Q127 HydrophobicContact CG1-CG 3.92Å
126D35.3Very low32.9Very low157 Ų157137.7 Ų137.784%0.8480%0.803SS**  trans-136.4143.6155.4-148-24.5000109.5
127Q32.2Very low33.1Very low168 Ų168135.4 Ų135.479%0.78579%0.79SS**  trans-128.5114.3-170.2-71.9-175.40.600111V125V125-Q127 HydrophobicContact CG1-CG 3.92Å
128S37.4Very low33.4Very low117 Ų117138.5 Ų138.582%0.81880%0.796SS**  trans-149.9100161.249.60000112.1
129H33.1Very low33.5Very low156 Ų156141.3 Ų141.372%0.72279%0.791SS**  trans-72.4153.7156.7-115.9-38.6000108.7
130P37.9Very low33.9Very low119 Ų119136.5 Ų136.577%0.77379%0.787SS**  -124.9168.897.10.720.1000113.4
131Q36Very low33.8Very low153 Ų153136.5 Ų136.572%0.71578%0.781SS**  trans-104.4140.1176.8-61.1168.5-37.600110.6
132H35Very low34Very low188 Ų188140.3 Ų140.387%0.8779%0.785SS**  trans-149.4117.9150.6-87.1-73.8000109.9
133P35.1Very low34Very low111 Ų111141.2 Ų141.272%0.72179%0.785SS**  trans-81.4177.9161.337.9-35.3000109.9
134P37.8Very low34.1Very low109 Ų109138.9 Ų138.971%0.70878%0.779SS**  cis-130.31793.842.6-28.1000114.4
135T35.7Very low34.1Very low123 Ų123138.1 Ų138.176%0.75577%0.774SS**  -179.5142.5125.522.50000110.8I137T135-I137 PolarHBondContact O-N 3.45Å
136S29.7Very low34Very low116 Ų116137.6 Ų137.681%0.81177%0.771SS**  trans-85.795.8175.454.50000110.8M138S136-M138 PolarHBondContact O-N 2.97Å
137I36.3Very low33.8Very low129 Ų129138.8 Ų138.866%0.66277%0.769SS**  trans-87.1103.6171.8-59.9179.8000108.7T135 Y139T135-I137 PolarHBondContact O-N 3.45Å; I137-Y139 HydrophobicContact CG2-CD2 3.99Å; I137-Y139 HydrophobicContact CG2-CE2 3.73Å; I137-Y139 PolarHBondContact O-N 3.32Å
138M32Very low33.8Very low179 Ų179135.1 Ų135.188%0.88277%0.767SS**PPolyproline II helixtrans-66.9119.3168.3-68.7173.864.600109.5S136S136-M138 PolarHBondContact O-N 2.97Å
139Y35.4Very low33.6Very low202 Ų202134 Ų13479%0.79277%0.765SS**PPolyproline II helixtrans-89.7149.6156-88.5-94.2000109.4I137I137-Y139 HydrophobicContact CG2-CD2 3.99Å; I137-Y139 HydrophobicContact CG2-CE2 3.73Å; I137-Y139 PolarHBondContact O-N 3.32Å
140P33.8Very low33.7Very low118 Ų118132 Ų13277%0.76677%0.765SS**PPolyproline II helixtrans-69.5145.2-160.126-34.5000113.3
141S28.5Very low33.5Very low106 Ų106137.9 Ų137.974%0.74177%0.774SS**PPolyproline II helixtrans-57.2150.7172.4-177.80000111.7
142M31.5Very low33.2Very low173 Ų173135.7 Ų135.785%0.85278%0.776SS**PPolyproline II helixtrans-52.3142.4157.1-64-174.4-71.700109.6P144M142-P144 WeakPolarHBondContact O-CD 3.13Å
143V32.9Very low33.1Very low137 Ų137131.9 Ų131.983%0.8378%0.777SS**  trans-95.8104.8-179.1-177.60000110.5
144P30.5Very low33Very low118 Ų118130 Ų13077%0.76678%0.778SS**  trans-128.6110.6142.233.9-22.5000110.5M142M142-P144 WeakPolarHBondContact O-CD 3.13Å
145S34.1Very low32.7Very low102 Ų102131 Ų13171%0.71379%0.786SS**  trans-163.3151.5176.6-157.20000108.1
146V33.6Very low32.4Very low109 Ų109131 Ų13166%0.66179%0.789SS**  cis-135.5158.89.5-136.30000106.1
147F32.2Very low32.9Very low182 Ų182130.5 Ų130.580%0.79878%0.783SS**  cis-128160.818-74.8-89.2000110.5
148A32.1Very low33Very low90 Ų90131.6 Ų131.674%0.74479%0.785SS**  73.6131.35300000114
149A32.3Very low33.4Very low94 Ų94131.3 Ų131.378%0.77778%0.781SS**  cis-152.9163.4-2.100000111.8
150P35.3Very low33.1Very low113 Ų113125 Ų12573%0.73478%0.777SS**  trans-106161.3-173.439.7-33.9000115
151Y33.8Very low33.3Very low244 Ų244124.8 Ų124.896%0.95778%0.776SS**  trans-153.5164.4151.3-94.1-65.6000111.2
152S30.1Very low33.5Very low107 Ų107128.9 Ų128.975%0.74878%0.781SS**  trans-129145-157.958.20000116.1
153A32.9Very low33.6Very low108 Ų108125.3 Ų125.389%0.89378%0.779SS**  trans42113.8149.500000120
154G32.8Very low33.6Very low72 Ų72123.6 Ų123.674%0.74278%0.779SS**  trans-159.5114.4166.700000113.7
155C32.3Very low33.6Very low130 Ų130122.9 Ų122.988%0.87878%0.777SS**  trans35.2116155.4-54.50000121.1
156C27.9Very low33.6Very low121 Ų121125.1 Ų125.182%0.81878%0.78SS**  trans-65.8164.6142.5-48.70000109.6
157P41.2Very low33.5Very low107 Ų107128.1 Ų128.170%0.69579%0.786SS**  -157.5175.686.944.3-26.2000118.3
158H38.4Very low33.4Very low151 Ų151125.6 Ų125.670%0.69979%0.789SS**  trans73.5115.5148.5-76.2-60.5000123.3
159H40.3Very low33.4Very low173 Ų173128.4 Ų128.480%0.80179%0.789SS**  trans69.3115.5143-57.7-56000122.1
160G28.6Very low33.6Very low69 Ų69129 Ų12971%0.71179%0.785SS**  trans-102.6-145.3144.200000110.1
161P38.8Very low33.5Very low115 Ų115133.3 Ų133.375%0.74779%0.793SS**  cis-136.1-153.2-1.539.4-18000113.5
162F33.2Very low33.6Very low191 Ų191126.2 Ų126.284%0.83879%0.785SS**  trans96.990.9170.4-71.2-76.7000120.6
163A31.8Very low33.7Very low98 Ų98124.6 Ų124.681%0.8179%0.785SS**  48.997.2121.600000121.2
164A33.1Very low33.6Very low101 Ų101126 Ų12684%0.83579%0.787SS**  trans-155.2128134.500000113.3
165S31.6Very low33.6Very low104 Ų104128.6 Ų128.673%0.72779%0.788SS**  trans6.9135.5144.6-1410000121.9
166I33.3Very low33.7Very low148 Ų148131.2 Ų131.276%0.75979%0.79SS**  trans74.2114152.8-62.3157.6000118.7
167Q31.8Very low33.8Very low172 Ų172132.5 Ų132.580%0.80479%0.789SS**  trans34.5135.3152.9-63.7-168.62.100122.2
168P30.7Very low33.7Very low130 Ų130132 Ų13284%0.84479%0.785SS**  trans-134.1144134.236.9-25.3000115.5
169I31.5Very low33.5Very low148 Ų148129.2 Ų129.276%0.75978%0.783SS**  trans-109.5174.3147.83.6173.6000106.1
170P36.6Very low33.3Very low107 Ų107127.7 Ų127.770%0.69578%0.781SS**  cis-126.9-168.4-24.937.3-19.4000111.9
171F32.5Very low33.5Very low204 Ų204131.5 Ų131.590%0.89578%0.783SS**  trans-114.5127.4151.8-74.7-95.5000106.7
172A36Very low33.3Very low95 Ų95130.8 Ų130.879%0.78578%0.781SS**  63.3120.566.700000112.8
173G32.1Very low33.6Very low73 Ų73129.1 Ų129.175%0.75378%0.776SS**  cis163.7151.5-7.200000111.8
174C32.2Very low33.7Very low138 Ų138131.2 Ų131.293%0.93277%0.768SS**  trans-161.3155.9166-119.40000110.4
175T32.2Very low33.8Very low125 Ų125134.4 Ų134.477%0.76776%0.763SS**  trans-123.2139.2-160.752.70000114.1
176M34.5Very low34.2Very low186 Ų186133.9 Ų133.992%0.91676%0.756SS**  trans-159.2142.2131.3-88.6-45.2-177.600110.4
177D30.4Very low34.2Very low148 Ų148135.7 Ų135.779%0.79176%0.761SS**  trans-124.8178.4172.5-152.835.4000105.2
178P37.7Very low34.3Very low95 Ų95130.6 Ų130.662%0.61776%0.755SS**  cis-145.5-177.68.944.1-24.3000118.5
179S35Very low34.3Very low93 Ų93134.7 Ų134.765%0.6575%0.753SS**  trans100.1135.8139.5-66.10000122.5
180N36.8Very low34.3Very low142 Ų142133.6 Ų133.676%0.75975%0.754SS**  trans81.9143.8161.8-63.1-61.1000119.8
181I32.4Very low34.3Very low149 Ų149135.5 Ų135.576%0.76475%0.753SS**  cis-179.6158.5-47.9-101.7167.3000107.9
182S34.9Very low34.3Very low99 Ų99131.1 Ų131.169%0.69275%0.748SS**  trans83.2125176.6-153.80000114.4
183Q37.6Very low34.4Very low157 Ų157131.6 Ų131.673%0.73474%0.743SS**  cis68.5136.245.9-58.4-163.644.400112.6
184Q34.7Very low34.4Very low141 Ų141135.2 Ų135.266%0.65974%0.744SS**  cis-162.6166.921.6-136.617865.200114.1
185K36.3Very low34.3Very low168 Ų168134.7 Ų134.773%0.7374%0.736SS**  trans36.2150137.3-83.5172.3115.3-176.40123.7
186T38.1Very low34.3Very low93 Ų93133 Ų13357%0.57173%0.73SS**  cis-176.9158.3-20.919.90000111.5
187H35.2Very low34.1Very low186 Ų186129.6 Ų129.686%0.86172%0.719SS**  trans70.4155161.6-55.9-55.7000118.6
188G32.2Very low34.2Very low66 Ų66126.7 Ų126.768%0.6871%0.711SS**  cis164.7-178.4-6.300000113.4
189R30.8Very low34.1Very low215 Ų215129.1 Ų129.181%0.81172%0.719SS**  trans72.3121.9175.1-163.3169.8-171.8153.93.2114.9E191R189-E191 IonicContact CZ-OE1 3.81Å; R189-E191 IonicContact NE-OE1 2.8Å; R189-E191 PolarHBondContact NE-OE1 2.87Å; R189-E191 IonicContact NH2-OE1 2.97Å; R189-E191 PolarHBondContact NH2-OE1 2.97Å
190V31.4Very low33.8Very low126 Ų126130.1 Ų130.176%0.76472%0.721SS**  cis83.7108.834.9-178.90000114.4
191E38Very low33.4Very low146 Ų146128.7 Ų128.768%0.68272%0.722SS**  trans-173.1160.2133.9-101.4154.3-131.600112.8R189R189-E191 IonicContact CZ-OE1 3.81Å; R189-E191 IonicContact NE-OE1 2.8Å; R189-E191 PolarHBondContact NE-OE1 2.87Å; R189-E191 IonicContact NH2-OE1 2.97Å; R189-E191 PolarHBondContact NH2-OE1 2.97Å
192S31.2Very low33.3Very low112 Ų112127.4 Ų127.478%0.78373%0.727SS**  trans-161.1-170.4176.1-57.60000105.2
193P38.1Very low33Very low105 Ų105130.8 Ų130.868%0.68273%0.733SS**  cis-143.6-152.51.629.1-0.3000113.4
194L32.6Very low32.6Very low149 Ų149127.8 Ų127.878%0.7873%0.73SS**  trans83.3134.6147-70.7164.8000123
195V31.1Very low32.4Very low127 Ų127127.8 Ų127.877%0.7773%0.734SS**  trans78.7136.4134.4162.70000118
196S32.2Very low32.6Very low89 Ų89126.3 Ų126.362%0.62274%0.74SS**  cis-155.71697.8-1400000116.4
197T29.9Very low32.3Very low115 Ų115127.1 Ų127.171%0.70675%0.749SS**  trans-2.7155.6140.657.40000120.4
198S31.6Very low32.4Very low87 Ų87123.8 Ų123.861%0.60875%0.747SS**  cis-174.9-173-6.3-90.50000109.1
199D35.4Very low32.7Very low147 Ų147129.1 Ų129.179%0.78675%0.751SS**  trans73.3155.5153.3-50.2-38.7000118.5
200T29Very low32.8Very low113 Ų113127.5 Ų127.569%0.69376%0.755SS**  cis-159.5150.9-37.633.60000108
201S28.3Very low33Very low113 Ų113124.7 Ų124.779%0.7975%0.752SS**  trans38.4130.7151.763.80000122
202S29.9Very low32.7Very low122 Ų122127.2 Ų127.285%0.85376%0.76SS**  -173.6170.3115.9-1580000112.3
203M28.8Very low33Very low169 Ų169130.3 Ų130.383%0.83377%0.766SS**  trans-99.6-178-165.3-56.6173.364.400114.4
204S29.5Very low32.8Very low94 Ų94129.5 Ų129.566%0.65776%0.763SS**  trans86.9122.8146.623.80000121.6
205D31.2Very low32.9Very low142 Ų142130.4 Ų130.476%0.75976%0.763SS**  trans62.5114.9131-51.1-31.8000122.9
206T39.4Very low33Very low137 Ų137131.7 Ų131.784%0.8477%0.766SS**  171.5130.6105.634.30000108.7
207S31.8Very low33.2Very low110 Ų110135.4 Ų135.477%0.76977%0.773SS**  cis92.794.438.7-1720000114
208S38.9Very low33.5Very low116 Ų116136.6 Ų136.681%0.81178%0.775SS**  trans170.4148.8150.6-85.20000112.3
209K37.8Very low33.6Very low178 Ų178137.4 Ų137.477%0.77478%0.776SS**  cis-172.4123.4-15.5179.1172.7-177.2176.50111.8
210M32Very low33.4Very low181 Ų181136.6 Ų136.689%0.89278%0.777SS**  trans59.7149.6155.3-58.8-77.4-89.300119.3
211G35.8Very low33.9Very low67 Ų67139 Ų13969%0.69178%0.778SS**  cis-168.3178.21.800000113.9
212K33.1Very low34.1Very low198 Ų198142.2 Ų142.286%0.86178%0.78SS**  trans-111.1158.1-178.4-53.8177.4177.7-174.40111.7
213I36.8Very low34.6Very low177 Ų177143.9 Ų143.991%0.90877%0.774SS**  trans-136.1156140.2-73.299.8000107.2
214S33.8Very low34.8Very low89 Ų89142.4 Ų142.462%0.62277%0.77SS**  trans-133154.3-167.452.90000113.9
215E34.8Very low35Very low167 Ų167144 Ų14478%0.7877%0.771SS**  trans24.2122.2139.2-56.5165.4151.500119.6
216N32.3Very low35.1Very low155 Ų155143.9 Ų143.983%0.82978%0.775SS**  174.5176.9111-95.6-46.2000115
217E37.6Very low34.9Very low166 Ų166141 Ų14178%0.77677%0.772SS**  trans86.2107.6169.9-55.5-15675.600116.3
218L35.6Very low34.9Very low141 Ų141142.9 Ų142.974%0.73877%0.773SS**  77.913568.8-71.8175.6000112.1
219T32.9Very low34.6Very low103 Ų103147.9 Ų147.963%0.63277%0.774SS**  cis-169.2154.1-12.64.80000110.3
220T32.4Very low34.5Very low130 Ų130142.6 Ų142.680%0.79877%0.771SS**  trans63.3159.4157.558.10000117.5
221K38.6Very low34.4Very low165 Ų165140.4 Ų140.472%0.71776%0.763SS**  cis-150.5167.511.3-147175174.9-112.20111.2E223K221-E223 IonicContact NZ-OE2 2.78Å; K221-E223 PolarHBondContact NZ-OE2 3.25Å
222E33.9Very low34.5Very low180 Ų180146 Ų14684%0.84178%0.776SS**  trans-89.1-163178.4-58.3170.1106.500113
223E39.4Very low34.4Very low156 Ų156140.7 Ų140.773%0.72977%0.769SS**  trans90.2139.9168.5-50.2173.89700117.7K221K221-E223 IonicContact NZ-OE2 2.78Å; K221-E223 PolarHBondContact NZ-OE2 3.25Å
224D33.1Very low34.7Very low139 Ų139138.1 Ų138.174%0.74376%0.764SS**  cis-164.2170.7-41.7-144.7-15.5000112.6
225L33.9Very low34.9Very low128 Ų128139.2 Ų139.267%0.6777%0.769SS**  trans52.4113.7149.8-69.7166.1000123.7
226T33.8Very low34.8Very low139 Ų139139.2 Ų139.285%0.85377%0.769SS**  trans72.4147.913366.30000122.2
227G34.1Very low34.7Very low75 Ų75138 Ų13877%0.77376%0.762SS**  trans-168.1-19.9179.600000122.1
228N32.7Very low34.7Very low150 Ų150136.3 Ų136.380%0.80277%0.768SS**  trans43.6128.3162.8-109.4-30.7000123.4
229R32.9Very low34.6Very low221 Ų221137.8 Ų137.883%0.83478%0.776SS**  trans78.9149.5146.9-68173164-93.1-0.3122.2
230G35Very low34.7Very low68 Ų68138.1 Ų138.170%0.70178%0.78SS**  trans131.660.5167.900000114.2
231D30.8Very low34.8Very low135 Ų135137.7 Ų137.772%0.72278%0.78SS**  45.9108.296.5-82.6-45.9000116.3
232L37.1Very low34.5Very low184 Ų184134.9 Ų134.996%0.96378%0.781SS**  176.7155.2123.2-94.4154.2000112.7
233A30.4Very low34.3Very low86 Ų86132.6 Ų132.671%0.71178%0.779SS**  trans-106.9158.8-166.400000114.4
234P42.8Very low34.1Very low124 Ų124134.6 Ų134.681%0.80579%0.788SS**  trans-91.6161.5-178.637.3-36.5000113.9
235P38Very low33.9Very low111 Ų111133 Ų13372%0.72179%0.788SS**  trans-139132.515235.8-19.8000116
236E34Very low33.9Very low167 Ų167131.9 Ų131.978%0.7879%0.788SS**  65.5135.8127.6-65-158.8168.500125.5
237N30.5Very low33.8Very low130 Ų130134 Ų13470%0.69579%0.788SS**  trans62.8104.6134.1-66.2-34.7000121.6
238S37.8Very low33.5Very low130 Ų130138.3 Ų138.391%0.90979%0.794SS**  trans-156.7140.8134.9-82.90000111.5
239L31.9Very low33.4Very low173 Ų173133.8 Ų133.891%0.90678%0.783SS**PPolyproline II helixtrans-101.2160.7-177.8-79.2169.6000112.1
240P36.8Very low33.2Very low110 Ų110130.1 Ų130.171%0.71479%0.785SS**PPolyproline II helixtrans-97.2155.7-164.437.4-36.3000114.9
241P34.6Very low33Very low120 Ų120135.2 Ų135.278%0.77979%0.791SS**PPolyproline II helixtrans-90.4164.6147.537.1-30.7000110.4
242S30.6Very low33Very low106 Ų106134.8 Ų134.874%0.74180%0.796SS**  cis159.395.6-23.9170.20000105.2
243V29.6Very low32.5Very low133 Ų133133.3 Ų133.381%0.80679%0.787SS**  trans31.6109157.3-169.90000118.2
244E35.7Very low32.4Very low198 Ų198134 Ų13493%0.92579%0.786SS**  trans-128.3151.3137.8-76.6-164.712400109.7
245S29.1Very low31.6Very low106 Ų106135.5 Ų135.574%0.74178%0.783SS**  trans-153.9141.1178.2-164.30000107
246P34.3Very low31.1Very low103 Ų103141.1 Ų141.167%0.66979%0.79SS**  -149171.292.939.9-24.2000114.7
247Q30.6Very low30.6Very low183 Ų183142.5 Ų142.586%0.85579%0.789SS**  trans47.4134.2147.1-67.3164.75.700118.7
248D29.2Very low30.4Very low166 Ų166143.4 Ų143.489%0.88880%0.799SS**  cis-157.6173.823.7-162.1-6.6000109.4
249G29.5Very low29.9Very low56 Ų56143.1 Ų143.158%0.57779%0.792SS**  trans121.983.5165.800000117.2
250T29.4Very low29.5Very low143 Ų143139.2 Ų139.288%0.87779%0.793SS**  trans41.891137.3-44.40000118.8
251Q31.1Very low29Very low175 Ų175136.9 Ų136.982%0.81878%0.783SS**  trans-125.5145149.3-72.9-161.111.500111.1I253Q251-I253 PolarHBondContact O-N 3.37Å; Q251-I253 VanDerWaalsContact O-N 3.1Å
252P30.3Very low28.8Very low127 Ų127136.8 Ų136.883%0.82579%0.785SS**  trans-76.999.7-174.230.4-34.7000112.1S254P252-S254 PolarHBondContact O-N 3.45Å
253I25.3Very low28.8Very low153 Ų153139.6 Ų139.679%0.78579%0.787SS**  trans-67116.4163.9-61.9173.9000108.4Q251 Q255Q251-I253 PolarHBondContact O-N 3.37Å; Q251-I253 VanDerWaalsContact O-N 3.1Å; I253-Q255 HydrophobicContact CG2-CG 4.11Å
254S29.7Very low28.9Very low99 Ų99139.3 Ų139.369%0.69278%0.779SS**  trans-116.692.4162.7-161.50000109.6P252 R256P252-S254 PolarHBondContact O-N 3.45Å; S254-R256 PolarHBondContact O-N 2.9Å
255Q25.6Very low28.6Very low156 Ų156135.6 Ų135.673%0.72977%0.765SS**  trans-62.4125.9162.8-68.4175.7-13.400108.4I253I253-Q255 HydrophobicContact CG2-CG 4.11Å
256R28.1Very low28.8Very low230 Ų230138 Ų13887%0.86876%0.762SS**  trans-121132.2158.1-79.1-168.6171.5-174.7-1.6109.5S254S254-R256 PolarHBondContact O-N 2.9Å
257Y23.9Very low28.8Very low196 Ų196140 Ų14077%0.76977%0.767SS**  trans-68.5142-171.3-84.5-114000111.4T259Y257-T259 PolarHBondContact O-N 2.88Å
258V25.9Very low29.2Very low149 Ų149136.6 Ų136.690%0.90375%0.754SS**  trans-70.9108.7171.3178.60000108.7
259T26.1Very low29.6Very low123 Ų123132.5 Ų132.576%0.75574%0.737SS**  trans-123.8142.6164.453.40000109.6Y257 A261Y257-T259 PolarHBondContact O-N 2.88Å; T259-A261 PolarHBondContact O-N 3.18Å
260G24.5Very low30.2Very low91 Ų91133.6 Ų133.694%0.93873%0.732SS**SBendtrans-73.196-161.300000115.1
261A26.1Very low30.8Very low62 Ų62133 Ų13351%0.51272%0.723SS.*  trans-141.5120.116000000109.9T259 E263T259-A261 PolarHBondContact O-N 3.18Å; A261-E263 PolarHBondContact O-N 3.02Å
262S29.5Very low31.5Very low117 Ų117128.4 Ų128.482%0.81871%0.71SS**  trans-76.489178.554.50000111I264S262-I264 PolarHBondContact O-N 3.35Å
263E31.7Very low32.1Very low165 Ų165125.7 Ų125.777%0.77169%0.689SS**  trans-77.5105.3175.2-167164.9-124.500109.9A261 I265A261-E263 PolarHBondContact O-N 3.02Å; E263-I265 VanDerWaalsContact C-N 3.34Å; E263-I265 HydrophobicContact CG-CG1 4.09Å; E263-I265 PolarHBondContact O-N 3.27Å
264I31Very low32.9Very low127 Ų127121.9 Ų121.965%0.65167%0.672SS**  trans-81.384.4179.4-51.8179.3000108.7S262 F266S262-I264 PolarHBondContact O-N 3.35Å; I264-F266 VanDerWaalsContact C-N 3.34Å; I264-F266 HydrophobicContact CG2-CD2 3.72Å; I264-F266 HydrophobicContact CG2-CE2 3.48Å; I264-F266 VanDerWaalsContact CG2-CE2 3.48Å; I264-F266 HydrophobicContact CG2-CG 4.48Å; I264-F266 HydrophobicContact CG2-CZ 4.08Å; I264-F266 PolarHBondContact O-N 2.59Å
265I29.8Very low33.7Very low120 Ų120121.7 Ų121.762%0.61566%0.663SS**  trans-72.490.7171.5-54.5178.9000108.5E263 N267E263-I265 VanDerWaalsContact C-N 3.34Å; E263-I265 HydrophobicContact CG-CG1 4.09Å; E263-I265 PolarHBondContact O-N 3.27Å; I265-N267 PolarHBondContact O-N 2.95Å
266F32.4Very low34.6Very low157 Ų157116.6 Ų116.669%0.68964%0.644SS**  trans-70.4104.7159.4-77.7-77.1000108.4I264 L268I264-F266 VanDerWaalsContact C-N 3.34Å; I264-F266 HydrophobicContact CG2-CD2 3.72Å; I264-F266 HydrophobicContact CG2-CE2 3.48Å; I264-F266 VanDerWaalsContact CG2-CE2 3.48Å; I264-F266 HydrophobicContact CG2-CG 4.48Å; I264-F266 HydrophobicContact CG2-CZ 4.08Å; I264-F266 PolarHBondContact O-N 2.59Å; F266-L268 HydrophobicContact CB-CD1 4.49Å; F266-L268 WeakPolarHBondContact O-CD1 3.2Å; F266-L268 PolarHBondContact O-N 3.05Å
267N34.1Very low35.2Very low145 Ų145112 Ų11278%0.77563%0.631SS**  trans-63.9104.9163.2-72.5-15.5000107.8I265I265-N267 PolarHBondContact O-N 2.95Å
268L39.3Very low35.9Very low111 Ų111107.3 Ų107.358%0.58162%0.622SS**PPolyproline II helixtrans-66.4135.2171.1-86.967.7000108.5F266 T270F266-L268 HydrophobicContact CB-CD1 4.49Å; F266-L268 WeakPolarHBondContact O-CD1 3.2Å; F266-L268 PolarHBondContact O-N 3.05Å; L268-T270 PolarHBondContact O-N 2.74Å
269P38.8Very low36.7Very low81 Ų81106 Ų10653%0.52661%0.607SS.*PPolyproline II helixtrans-61.3133.3166.428.1-33.7000109D273 V274P269-D273 HydrophobicContact CB-CB 3.73Å; P269-V274 HydrophobicContact CB-CG2 4.03Å; P269-V274 HydrophobicContact CG-CG2 4.1Å
270T40.7Very low37.2Very low78 Ų78104 Ų10448%0.47959%0.591SS.*PPolyproline II helixtrans-69.3169.1169.969.60000110.4L268 S272 D273 V274L268-T270 PolarHBondContact O-N 2.74Å; T270-S272 PolarHBondContact O-N 2.8Å; T270-S272 WeakPolarHBondContact OG1-CB 3.39Å; T270-S272 PolarHBondContact OG1-N 3.39Å; T270-D273 WeakPolarHBondContact CA-OD2 3.48Å; T270-D273 VanDerWaalsContact CB-OD2 3.26Å; T270-D273 WeakPolarHBondContact CB-OD2 3.37Å; T270-D273 WeakPolarHBondContact CG2-OD2 3.18Å; T270-D273 PolarHBondContact N-OD2 3.48Å; T270-D273 PolarHBondContact O-N 2.73Å; T270-D273 VanDerWaalsContact O-N 3.11Å; T270-D273 PolarHBondContact OG1-N 2.74Å; T270-D273 PolarHBondContact OG1-OD2 3.06Å; T270-V274 WeakPolarHBondContact O-CG2 3.29Å; T270-V274 PolarHBondContact O-N 3.23Å
271L43.5Very low38Very low131 Ų131107 Ų10769%0.68658%0.58SS**Hα-helixtrans-58.8-30171.4-98.8162.8000112.4I275L271-I275 WeakPolarHBondContact O-CD1 3.37Å; L271-I275 VanDerWaalsContact O-CG1 3.29Å; L271-I275 WeakPolarHBondContact O-CG1 3.44Å; L271-I275 PolarHBondContact O-N 3.13Å
272S44.4Very low38.7Very low78 Ų78114.7 Ų114.755%0.54560%0.596SS.*Hα-helixtrans-64.8-50.6172.1-163.30000110.7T270 V274 I275 S276T270-S272 PolarHBondContact O-N 2.8Å; T270-S272 WeakPolarHBondContact OG1-CB 3.39Å; T270-S272 PolarHBondContact OG1-N 3.39Å; S272-V274 VanDerWaalsContact C-N 3.31Å; S272-V274 PolarHBondContact O-N 2.82Å; S272-I275 PolarHBondContact O-N 2.95Å; S272-I275 VanDerWaalsContact O-N 3.14Å; S272-S276 PolarHBondContact O-N 3.36Å; S272-S276 PolarHBondContact O-OG 3.33Å; S272-S276 VanDerWaalsContact O-OG 3.07Å
273D43.8Very low39.1Very low70 Ų70116.8 Ų116.837%0.37459%0.593SS.*Hα-helixtrans-59.9-41.3-178.9-56.9-63.1000111.6P269 T270 I275 S276 F277P269-D273 HydrophobicContact CB-CB 3.73Å; T270-D273 WeakPolarHBondContact CA-OD2 3.48Å; T270-D273 VanDerWaalsContact CB-OD2 3.26Å; T270-D273 WeakPolarHBondContact CB-OD2 3.37Å; T270-D273 WeakPolarHBondContact CG2-OD2 3.18Å; T270-D273 PolarHBondContact N-OD2 3.48Å; T270-D273 PolarHBondContact O-N 2.73Å; T270-D273 VanDerWaalsContact O-N 3.11Å; T270-D273 PolarHBondContact OG1-N 2.74Å; T270-D273 PolarHBondContact OG1-OD2 3.06Å; D273-I275 VanDerWaalsContact C-N 3.35Å; D273-I275 PolarHBondContact O-N 2.84Å; D273-S276 PolarHBondContact O-N 3.25Å; D273-F277 WeakPolarHBondContact O-CB 3.36Å; D273-F277 WeakPolarHBondContact O-CD2 3.22Å; D273-F277 PolarHBondContact O-N 3.16Å
274V43.1Very low39.4Very low73 Ų73113.9 Ų113.944%0.44258%0.579SS.*Hα-helixtrans-63.7-39177.9177.30000111.9P269 T270 S272 V278P269-V274 HydrophobicContact CB-CG2 4.03Å; P269-V274 HydrophobicContact CG-CG2 4.1Å; T270-V274 WeakPolarHBondContact O-CG2 3.29Å; T270-V274 PolarHBondContact O-N 3.23Å; S272-V274 VanDerWaalsContact C-N 3.31Å; S272-V274 PolarHBondContact O-N 2.82Å; V274-V278 WeakPolarHBondContact O-CG2 3.34Å; V274-V278 PolarHBondContact O-N 3.09Å
275I44.8Very low39.5Very low96 Ų96112 Ų11249%0.49259%0.591SS.*Hα-helixtrans-67.6-48175.1-67.2165.8000109.9L271 S272 D273 F277 V278 E279L271-I275 WeakPolarHBondContact O-CD1 3.37Å; L271-I275 VanDerWaalsContact O-CG1 3.29Å; L271-I275 WeakPolarHBondContact O-CG1 3.44Å; L271-I275 PolarHBondContact O-N 3.13Å; S272-I275 PolarHBondContact O-N 2.95Å; S272-I275 VanDerWaalsContact O-N 3.14Å; D273-I275 VanDerWaalsContact C-N 3.35Å; D273-I275 PolarHBondContact O-N 2.84Å; I275-F277 VanDerWaalsContact C-N 3.28Å; I275-F277 PolarHBondContact O-N 3.09Å; I275-V278 PolarHBondContact O-N 3.12Å; I275-E279 PolarHBondContact O-N 3.4Å
276S46.1Very low39.7Very low48 Ų48116.5 Ų116.534%0.33660%0.6SS.*Hα-helixtrans-59.1-35.1177.1-57.50000113.1S272 D273 E279 L280S272-S276 PolarHBondContact O-N 3.36Å; S272-S276 PolarHBondContact O-OG 3.33Å; S272-S276 VanDerWaalsContact O-OG 3.07Å; D273-S276 PolarHBondContact O-N 3.25Å; S276-E279 PolarHBondContact O-N 3.47Å; S276-L280 VanDerWaalsContact O-CB 3.27Å; S276-L280 WeakPolarHBondContact O-CB 3.37Å; S276-L280 WeakPolarHBondContact O-CD1 3.33Å; S276-L280 VanDerWaalsContact O-CG 3.23Å; S276-L280 WeakPolarHBondContact O-CG 3.16Å; S276-L280 PolarHBondContact O-N 3.46Å
277F40.4Very low40Very low134 Ų134114.9 Ų114.959%0.58860%0.603SS**Hα-helixtrans-66.2-39.2173.9-97.7-80.5000112.5D273 I275 E279 L280 E281D273-F277 WeakPolarHBondContact O-CB 3.36Å; D273-F277 WeakPolarHBondContact O-CD2 3.22Å; D273-F277 PolarHBondContact O-N 3.16Å; I275-F277 VanDerWaalsContact C-N 3.28Å; I275-F277 PolarHBondContact O-N 3.09Å; F277-E279 VanDerWaalsContact C-N 3.35Å; F277-L280 PolarHBondContact O-N 3.15Å; F277-E281 WeakPolarHBondContact O-CG 3.48Å; F277-E281 PolarHBondContact O-N 2.88Å
278V38.9Very low40.4Very low98 Ų98112 Ų11259%0.59459%0.592SS**Hα-helixtrans-69.1-32.7177.5172.40000111.8V274 I275V274-V278 WeakPolarHBondContact O-CG2 3.34Å; V274-V278 PolarHBondContact O-N 3.09Å; I275-V278 PolarHBondContact O-N 3.12Å
279E41.5Very low40.8Very low122 Ų122115.1 Ų115.157%0.5761%0.609SS**Hα-helixtrans-76.3-39.4173.5-67.9179126.300112.1I275 S276 F277 E281 R282 E283I275-E279 PolarHBondContact O-N 3.4Å; S276-E279 PolarHBondContact O-N 3.47Å; F277-E279 VanDerWaalsContact C-N 3.35Å; E279-E281 VanDerWaalsContact C-N 3.33Å; E279-E281 PolarHBondContact O-N 2.74Å; E279-R282 WeakPolarHBondContact O-CA 3.43Å; E279-R282 VanDerWaalsContact O-CB 3.3Å; E279-R282 WeakPolarHBondContact O-CB 3.26Å; E279-R282 PolarHBondContact O-N 3.28Å; E279-E283 PolarHBondContact O-N 2.91Å
280L37.2Very low41.1Very low81 Ų81120 Ų12042%0.42462%0.622SS.*Hα-helixtrans-63.8-34.5174.8-78.5166000113S276 F277 R282 H284S276-L280 VanDerWaalsContact O-CB 3.27Å; S276-L280 WeakPolarHBondContact O-CB 3.37Å; S276-L280 WeakPolarHBondContact O-CD1 3.33Å; S276-L280 VanDerWaalsContact O-CG 3.23Å; S276-L280 WeakPolarHBondContact O-CG 3.16Å; S276-L280 PolarHBondContact O-N 3.46Å; F277-L280 PolarHBondContact O-N 3.15Å; L280-R282 PolarHBondContact O-N 3.08Å; L280-H284 WeakPolarHBondContact O-CB 3.35Å; L280-H284 PolarHBondContact O-N 2.98Å; L280-H284 PolarHBondContact O-ND1 3.33Å
281E41.1Very low41.4Very low152 Ų152119.3 Ų119.371%0.7163%0.63SS**Hα-helixtrans-68.6-17.4170.6-75.9-169.1158.500113.4F277 E279F277-E281 WeakPolarHBondContact O-CG 3.48Å; F277-E281 PolarHBondContact O-N 2.88Å; E279-E281 VanDerWaalsContact C-N 3.33Å; E279-E281 PolarHBondContact O-N 2.74Å
282R40.7Very low41.5Very low225 Ų225119.8 Ų119.885%0.84963%0.633SS**Hα-helixtrans-84.9-35.6175.7-170.2178.2177.9177.5-1.8112.6E279 L280E279-R282 WeakPolarHBondContact O-CA 3.43Å; E279-R282 VanDerWaalsContact O-CB 3.3Å; E279-R282 WeakPolarHBondContact O-CB 3.26Å; E279-R282 PolarHBondContact O-N 3.28Å; L280-R282 PolarHBondContact O-N 3.08Å
283E38.4Very low42Very low161 Ų161120.5 Ų120.575%0.75263%0.634SS**Hα-helixtrans-81.9-38.6176.3-66.2-165130.600113E279 G285E279-E283 PolarHBondContact O-N 2.91Å; E283-G285 PolarHBondContact O-N 2.87Å
284H37.9Very low42.2Very low103 Ų103119.9 Ų119.948%0.47763%0.634SS.*SBendtrans-88.496.9179.2-62.779.1000109.4L280 R286L280-H284 WeakPolarHBondContact O-CB 3.35Å; L280-H284 PolarHBondContact O-N 2.98Å; L280-H284 PolarHBondContact O-ND1 3.33Å; H284-R286 PolarHBondContact O-N 3.23Å
285G32.9Very low42.4Very low87 Ų87121.4 Ų121.490%0.89765%0.648SS**  trans-63.355.5-179.400000116E283E283-G285 PolarHBondContact O-N 2.87Å
286R34Very low43.6Very low216 Ų216124.3 Ų124.382%0.81565%0.653SS**PPolyproline II helixtrans-88.5121.3171.8-69.2-178.7171.6-175.2-0.8108H284H284-R286 PolarHBondContact O-N 3.23Å
287T39.3Very low44.3Very low123 Ų123130.1 Ų130.176%0.75567%0.667SS**PPolyproline II helixtrans-51.3135167.948.60000110.1
288P40.8Very low44.9Very low83 Ų83128.5 Ų128.554%0.53967%0.665SS.*PPolyproline II helixtrans-56.3150.5178.320.6-30.9000111.8F290P288-F290 CarbonylContact C-O 3.43Å; P288-F290 WeakPolarHBondContact CB-O 3.29Å; P288-F290 WeakPolarHBondContact CG-O 3.19Å; P288-F290 CarbonylContact O-C 3.35Å; P288-F290 PolarHBondContact O-N 3.08Å
289L49.1Very low45Very low178 Ų178130.6 Ų130.693%0.93267%0.668SS**SBendtrans-62-15.3-175.9-105.2150000114.1
290F44.3Very low45.1Very low184 Ų184132 Ų13281%0.80768%0.675SS**SBendtrans-114.7124.7160.7-54.6-86.6000106.2P288P288-F290 CarbonylContact C-O 3.43Å; P288-F290 WeakPolarHBondContact CB-O 3.29Å; P288-F290 WeakPolarHBondContact CG-O 3.19Å; P288-F290 CarbonylContact O-C 3.35Å; P288-F290 PolarHBondContact O-N 3.08Å
291G46.3Very low45.4Very low62 Ų62137 Ų13764%0.63970%0.696SS**  trans-63.5169.2-17700000113.3T293G291-T293 PolarHBondContact O-N 2.82Å
292D47.3Very low45.8Very low142 Ų142135.7 Ų135.776%0.75969%0.694SS**SBendtrans-37128.7-173.1-52.4-36.6000113.3
293T54.9Low46.1Very low92 Ų92132 Ų13256%0.56469%0.691SS**  trans-57.2135.1-18041.40000109.9G291 S295G291-T293 PolarHBondContact O-N 2.82Å; T293-S295 PolarHBondContact O-N 2.7Å
294P47.4Very low46.3Very low58 Ų58133.2 Ų133.238%0.37770%0.697SS.*  trans-53.3138.4179-26.234.6000111.2W296 W297P294-W296 HydrophobicContact CB-CD2 4.33Å; P294-W296 HydrophobicContact CB-CG 4.31Å; P294-W296 HydrophobicContact CB-CZ2 4.28Å; P294-W296 VanDerWaalsContact CB-NE1 3.28Å; P294-W296 HydrophobicContact CG-CZ2 4.43Å; P294-W296 PolarHBondContact O-N 3.3Å; P294-W297 HydrophobicContact CG-CE3 4.28Å; P294-W297 WeakPolarHBondContact O-CB 3.36Å; P294-W297 PolarHBondContact O-N 2.74Å
295S47.2Very low46.4Very low104 Ų104135.7 Ų135.773%0.72771%0.714SS**G310 helixtrans-59.3-23-172.857.90000114.5T293 W297T293-S295 PolarHBondContact O-N 2.7Å; S295-W297 VanDerWaalsContact C-N 3.33Å
296W69.1Low47Very low158 Ų158140.9 Ų140.960%0.59871%0.714SS**G310 helixtrans-77.6-13.8174.560.7-98.4000114P294 N298 Q299P294-W296 HydrophobicContact CB-CD2 4.33Å; P294-W296 HydrophobicContact CB-CG 4.31Å; P294-W296 HydrophobicContact CB-CZ2 4.28Å; P294-W296 VanDerWaalsContact CB-NE1 3.28Å; P294-W296 HydrophobicContact CG-CZ2 4.43Å; P294-W296 PolarHBondContact O-N 3.3Å; W296-N298 VanDerWaalsContact C-N 3.25Å; W296-N298 PolarHBondContact O-N 2.88Å; W296-Q299 PolarHBondContact O-N 3.48Å
297W61Low47.5Very low169 Ų169137.9 Ų137.964%0.6471%0.714SS**G310 helixtrans-73.2-21.3-179.2-149.5-68.3000112.6P294 S295P294-W297 HydrophobicContact CG-CE3 4.28Å; P294-W297 WeakPolarHBondContact O-CB 3.36Å; P294-W297 PolarHBondContact O-N 2.74Å; S295-W297 VanDerWaalsContact C-N 3.33Å
298N54.7Low47.7Very low100 Ų100141.1 Ų141.154%0.53572%0.721SS.*G310 helixtrans-110.915.8175.1-56.4-1.9000111.6W296 Q300W296-N298 VanDerWaalsContact C-N 3.25Å; W296-N298 PolarHBondContact O-N 2.88Å; N298-Q300 PolarHBondContact O-N 3.04Å
299Q40Very low48Very low142 Ų142146.2 Ų146.266%0.66474%0.738SS**  trans-83.394.3166.6-72.1-174.1-77.900107.5W296W296-Q299 PolarHBondContact O-N 3.48Å
300Q42.9Very low47.6Very low151 Ų151147 Ų14771%0.70674%0.737SS**  trans-61.7148.2157-166.6171.1-83.700108.1N298 D302N298-Q300 PolarHBondContact O-N 3.04Å; Q300-D302 WeakPolarHBondContact CG-OD1 3.27Å; Q300-D302 PolarHBondContact NE2-OD1 3.1Å; Q300-D302 PolarHBondContact O-N 2.97Å
301E44.5Very low47.8Very low188 Ų188147.5 Ų147.588%0.87974%0.742SS**  trans-78.764.9-179.8-64.8178.1141.400109.6D303E301-D303 PolarHBondContact O-N 2.98Å
302D48.4Very low47.6Very low124 Ų124153.2 Ų153.266%0.66375%0.752SS**  trans-82.252.3176.2-57.3-31.5000110.5Q300Q300-D302 WeakPolarHBondContact CG-OD1 3.27Å; Q300-D302 PolarHBondContact NE2-OD1 3.1Å; Q300-D302 PolarHBondContact O-N 2.97Å
303D46.9Very low47.2Very low148 Ų148154 Ų15479%0.79176%0.756SS**  trans-118.9141166.4-90.9-53.3000107.3E301E301-D303 PolarHBondContact O-N 2.98Å
304E43.2Very low46.4Very low186 Ų186154.6 Ų154.687%0.86976%0.759SS**SBendtrans85.4153.3-167.5-52-174.7168.900114.6
305D41.1Very low45.8Very low155 Ų155156.8 Ų156.883%0.82978%0.775SS**  trans61.355.8-175.7-59.6-6.4000118.3
306Q44Very low45.2Very low195 Ų195161.9 Ų161.991%0.91179%0.785SS**  trans-93.291.4148.8-76-173.113.800109.9
307D45.1Very low43.2Very low153 Ų153159.6 Ų159.682%0.81879%0.792SS**  trans-82.4134.4164-84.6-38.9000110
308E43.6Very low42Very low191 Ų191160.4 Ų160.489%0.89380%0.803SS**  trans-85.7106.9179.9-65.4178.5151.700111.2
309E46.5Very low41.1Very low191 Ų191160 Ų16089%0.89381%0.807SS**  trans-110.388.4163.2-71.7-164.314900110.7E311E309-E311 PolarHBondContact O-N 3.42Å
310E42Very low41Very low195 Ų195161.2 Ų161.291%0.91181%0.81SS**  trans-78.7100.4163.8-69.5-167.9134.900110.1
311E48.3Very low40.6Very low194 Ų194161.4 Ų161.491%0.90781%0.811SS**  trans-88.3115.3160.4-81.3-152.413200111.1E309 D313E309-E311 PolarHBondContact O-N 3.42Å; E311-D313 PolarHBondContact O-N 3.31Å
312E42.2Very low40.3Very low182 Ų182156.5 Ų156.585%0.8580%0.798SS**  trans-73.3112165.3-68.1-171.1110.600110.8
313D38.3Very low39.7Very low158 Ų158157.4 Ų157.485%0.84580%0.803SS**  trans-121.268.6160.3-15711.1000113.2E311E311-D313 PolarHBondContact O-N 3.31Å
314V37Very low39.2Very low105 Ų105154.3 Ų154.364%0.63679%0.793SS**  37.3118.8126.8-178.90000118.6
315S36.4Very low38.9Very low103 Ų103153.2 Ų153.272%0.7279%0.791SS**  trans7898.2154.3-62.20000120.5
316K33Very low38.6Very low212 Ų212149.6 Ų149.692%0.92278%0.782SS**  -148.7124.5112.4-133.6159.8-171163.80114.3
317C28.3Very low38.2Very low110 Ų110146.5 Ų146.574%0.74378%0.777SS**  trans-74.2146.5179.9-48.50000112.3
318Q35.8Very low37.8Very low186 Ų186147.5 Ų147.587%0.86978%0.776SS**  177.8131.2112.6-97.8174.842.300113.9
319S35.7Very low37.3Very low91 Ų91146.8 Ų146.864%0.63677%0.773SS**  trans57.7129.1137.5158.30000119.9
320K37.5Very low36.7Very low167 Ų167143.7 Ų143.773%0.72676%0.763SS**  cis-173.4155.214.5-108.8166.2-171.1172.80110.7
321Q35.4Very low36.5Very low156 Ų156140 Ų14073%0.72975%0.749SS**  trans60.8118.8147.7-64.8173.8-97.200118.2
322S36.7Very low35.9Very low85 Ų85138.5 Ų138.559%0.59474%0.742SS**  74.614163.9950000112.4
323D36.8Very low35.6Very low142 Ų142135.3 Ų135.376%0.75974%0.737SS**  cis-156.8171.712.6-78.7-66.1000109.4
324S36.4Very low35.5Very low84 Ų84138.4 Ų138.459%0.58774%0.737SS**  cis-175.7178.3-29.665.70000109.5
325I37.1Very low35.5Very low163 Ų163139.2 Ų139.284%0.83674%0.738SS**  trans70.9147157.3-69.8167.3000118.7
326A35Very low35.5Very low78 Ų78142.5 Ų142.565%0.64574%0.742SS**  cis-173.2150.2-2800000113.8
327V36.1Very low35.7Very low130 Ų130138.4 Ų138.479%0.78873%0.734SS**  trans73.2153.7134.7164.10000123
328Q35.9Very low36.1Very low174 Ų174139.5 Ų139.581%0.81374%0.737SS**  trans74.3115.9175.3-81.1164.93.900116.7
329E32.4Very low35.8Very low176 Ų176138 Ų13882%0.82274%0.735SS**  cis70106.114.4-165.2-179.9-141.200116.1
330N34.6Very low35.9Very low126 Ų126138.7 Ų138.767%0.67474%0.737SS**  -174.3160104.1-15326.4000114.3
331D36.8Very low35.6Very low117 Ų117139.4 Ų139.463%0.62674%0.743SS**  trans23.1153.8147-81.1-37.9000123.4
332Q36.3Very low35.5Very low164 Ų164141.4 Ų141.477%0.76675%0.752SS**  cis-174.2153.1-7.4-17616994.600110.1
333P35.3Very low35Very low114 Ų114142.3 Ų142.374%0.7476%0.758SS**  trans-114158.8-175.839.8-32.6000116.1
334R36.4Very low35Very low223 Ų223140.6 Ų140.684%0.84276%0.757SS**  trans-170.5164160.1-116.7173.9-170.1-92.61117.7
335D37.9Very low34.9Very low123 Ų123145.3 Ų145.366%0.65877%0.77SS**  trans64.1155.9157.2-52.5-18.2000120.1
336E36.1Very low34.6Very low171 Ų171147.5 Ų147.580%0.79977%0.773SS**  cis-168.8-171.3-37.1-156-174-163.100108.4
337V37Very low34.5Very low126 Ų126153 Ų15376%0.76478%0.783SS**  trans74138.7162.2-178.40000117.8
338V36.7Very low34.3Very low134 Ų134156.5 Ų156.581%0.81278%0.782SS**  cis-162.9173.1-29.2106.80000111.3
339L30.9Very low34.2Very low155 Ų155154.7 Ų154.781%0.81277%0.773SS**  trans-69.3-167.4175.3-71.9147.7000114.5
340P36.9Very low34.2Very low105 Ų105156.2 Ų156.268%0.68278%0.778SS**  cis-136.7179.8-6.921.75.5000117.4
341E32.1Very low33.9Very low182 Ų182153.9 Ų153.985%0.8578%0.783SS**  trans22.3138.7146.7-61.2-175.295.500124.6
342Q33.3Very low33.7Very low198 Ų198157.4 Ų157.493%0.92580%0.796SS**  -155.5161.9122.5-122.2-177.744.100113.4
343S26Very low33.4Very low103 Ų103158.2 Ų158.272%0.7280%0.799SS**  trans-132.4156.3-173.364.30000113.2
344S35.4Very low33.2Very low106 Ų106157.8 Ų157.874%0.74180%0.796SS**  trans-163.8126.9163.6-90.60000116.2
345Q35.6Very low33Very low183 Ų183153 Ų15386%0.85580%0.797SS**  trans39.9122.6137.5-49.7-176.76.300120
346K29.1Very low32.6Very low209 Ų209150.1 Ų150.191%0.90980%0.797SS**  cis87.990.538.8-168.9-176.6179.6175.70115.8
347K34.4Very low32.3Very low194 Ų194150.9 Ų150.984%0.84380%0.801SS**  trans-155.9121.9153.9-143.7166.8-179.2-178.90107
348R32Very low32.2Very low203 Ų203150.1 Ų150.177%0.76680%0.798SS**  51128.979.1-84.7-170.9174.9-146.513.4112.6
349E33.1Very low31.9Very low136 Ų136151.6 Ų151.664%0.63680%0.796SS**  cis-144.7134.67.7-107.4129.616600109.6
350K32Very low32.1Very low209 Ų209150 Ų15091%0.90979%0.792SS**  67.4111.6102.2-167.8-176.5-179.8-177.80115.4
351G29.2Very low31.8Very low76 Ų76148.9 Ų148.978%0.78478%0.784SS**  trans166.881.1171.900000112.8
352E32.2Very low31.8Very low192 Ų192144 Ų14490%0.89777%0.774SS**  trans-92.9138.2174.1-67.8162.6104.300110.9
353E30.1Very low31.8Very low180 Ų180140.3 Ų140.384%0.84176%0.761SS**  trans-163153.9147.3-99.6-102.398.600107.8
354P31.1Very low32.3Very low105 Ų105139.1 Ų139.168%0.68275%0.749SS**  trans-92.9137.5-151.133.4-35.3000115.1G356P354-G356 PolarHBondContact O-N 2.85Å
355S31.6Very low32.6Very low122 Ų122143.6 Ų143.685%0.85375%0.752SS**  trans-74.5107.8153.358.20000108.3
356G30.5Very low33.5Very low64 Ų64140 Ų14066%0.6673%0.733SS**  trans-62.8172-175.500000114.5P354P354-G356 PolarHBondContact O-N 2.85Å
357E29.9Very low35Very low187 Ų187132.8 Ų132.887%0.87471%0.713SS**  trans-50.7142.7167.9-61.2176.6118.500110E359E357-E359 PolarHBondContact O-N 2.86Å
358P33.7Very low36.6Very low109 Ų109126.9 Ų126.971%0.70870%0.696SS**  trans-63.1108.5160.628.4-30.5000106.7V360P358-V360 PolarHBondContact O-N 2.84Å
359E30.7Very low38.5Very low166 Ų166121.4 Ų121.478%0.77668%0.681SS**  trans-57.199.9160-177.1-177.9-167.800105.9E357 T361E357-E359 PolarHBondContact O-N 2.86Å; E359-T361 HydrophobicContact CG-CG2 4.31Å; E359-T361 PolarHBondContact O-N 3.48Å
360V34.5Very low40.1Very low120 Ų120120.9 Ų120.973%0.72767%0.673SS**  trans-7472.9172.9-1730000106.5P358 A362P358-V360 PolarHBondContact O-N 2.84Å; V360-A362 PolarHBondContact O-N 2.92Å
361T32.1Very low41.9Very low83 Ų83115.1 Ų115.151%0.50965%0.65SS.*  trans-44.7103.3144.8460000105.4E359 N363E359-T361 HydrophobicContact CG-CG2 4.31Å; E359-T361 PolarHBondContact O-N 3.48Å; T361-N363 PolarHBondContact O-N 3.27Å
362A31.1Very low43.9Very low78 Ų78115.4 Ų115.465%0.64563%0.634SS**  trans-64.292.4175.300000105.9V360 T364V360-A362 PolarHBondContact O-N 2.92Å; A362-T364 PolarHBondContact O-N 3.02Å; A362-T364 PolarHBondContact O-OG1 2.94Å
363N33.6Very low45.7Very low122 Ų122110.2 Ų110.265%0.65261%0.611SS**  trans-66.379167.5-76.7-47.4000105.5T361 Y365T361-N363 PolarHBondContact O-N 3.27Å; N363-Y365 WeakPolarHBondContact O-CD2 3.36Å; N363-Y365 PolarHBondContact O-N 2.93Å
364T37.6Very low47Very low77 Ų77106.4 Ų106.447%0.47260%0.602SS.*  trans-51.3104.4-179.5-54.90000106.6A362 K366A362-T364 PolarHBondContact O-N 3.02Å; A362-T364 PolarHBondContact O-OG1 2.94Å; T364-K366 HydrophobicContact CG2-CG 4.33Å; T364-K366 PolarHBondContact O-N 2.8Å
365Y41.3Very low48.1Very low200 Ų200107.1 Ų107.178%0.78460%0.595SS**  trans-73.282.6-178.1-88.9-86000106.6N363 A367N363-Y365 WeakPolarHBondContact O-CD2 3.36Å; N363-Y365 PolarHBondContact O-N 2.93Å; Y365-A367 PolarHBondContact O-N 3.25Å
366K53.6Low49.1Very low109 Ų109105.2 Ų105.247%0.47459%0.587SS.*  trans-62.977.7171.1-79-163.7159.9-157.30109.1T364 S368 N406T364-K366 HydrophobicContact CG2-CG 4.33Å; T364-K366 PolarHBondContact O-N 2.8Å; K366-S368 PolarHBondContact O-N 3Å; K366-S368 VanDerWaalsContact O-N 3.14Å; K366-N406 WeakPolarHBondContact CE-OD1 3.4Å
367A60.6Low50Low57 Ų57106 Ų10647%0.47158%0.58SS.*  trans-53.7121.3165.500000106.4Y365 F405Y365-A367 PolarHBondContact O-N 3.25Å; A367-F405 HydrophobicContact CB-CB 4.29Å; A367-F405 HydrophobicContact CB-CD2 4.18Å; A367-F405 WeakPolarHBondContact O-CB 3.35Å; A367-F405 WeakPolarHBondContact O-CD2 3.46Å; A367-F405 PolarHBondContact O-N 3.15Å
368S69.2Low51.1Low70 Ų70103.4 Ų103.449%0.4958%0.576SS.*EExtended strand (participates in β ladder)trans-138131.8179.6540000109.6K366 I403K366-S368 PolarHBondContact O-N 3Å; K366-S368 VanDerWaalsContact O-N 3.14Å; S368-I403 CarbonylContact C-O 3.55Å; S368-I403 WeakPolarHBondContact CA-O 3.41Å; S368-I403 WeakPolarHBondContact CB-O 3.5Å
369I70.5Confident51.7Low88 Ų88103.9 Ų103.945%0.45158%0.58SS.*EExtended strand (participates in β ladder)trans-110.2113.6177.7-63175.8000106.5M371 T402 I403 F405I369-M371 HydrophobicContact CG2-CG 3.71Å; I369-M371 HydrophobicContact CG2-SD 4.32Å; I369-T402 WeakPolarHBondContact O-CA 3.35Å; I369-I403 PolarHBondContact N-O 3.21Å; I369-I403 PolarHBondContact O-N 3.48Å; I369-F405 HydrophobicContact CD1-CE2 3.8Å; I369-F405 HydrophobicContact CD1-CZ 4.29Å; I369-F405 HydrophobicContact CG1-CE2 3.98Å
370R66.6Low52.5Low125 Ų125100.8 Ų100.847%0.47258%0.582SS.*EExtended strand (participates in β ladder)trans-81.7129.9163.2-168.3-169-160.8-130.45.4107.6D372 A400 F401 E419R370-D372 WeakPolarHBondContact CD-OD1 3.49Å; R370-D372 WeakPolarHBondContact CG-OD1 3.36Å; R370-D372 IonicContact CZ-OD1 2.75Å; R370-D372 IonicContact CZ-OD2 3.53Å; R370-D372 IonicContact NE-OD1 3.35Å; R370-D372 PolarHBondContact NE-OD1 3.23Å; R370-D372 IonicContact NH1-OD1 2.66Å; R370-D372 PolarHBondContact NH1-OD1 2.93Å; R370-D372 IonicContact NH1-OD2 3.29Å; R370-D372 PolarHBondContact NH1-OD2 3.35Å; R370-D372 IonicContact NH2-OD1 2.7Å; R370-A400 HydrophobicContact CG-CB 4.26Å; R370-A400 VanDerWaalsContact CZ-CB 3.42Å; R370-A400 VanDerWaalsContact NH2-CB 3.34Å; R370-F401 WeakPolarHBondContact CA-O 3.41Å; R370-E419 IonicContact NH2-OE2 2.85Å; R370-E419 PolarHBondContact NH2-OE2 3.16Å
371M70.4Confident52.7Low87 Ų8798.2 Ų98.243%0.42958%0.581SS.*EExtended strand (participates in β ladder)trans-119.2124.6169.9-59.1-161-58.700109.1I369 A400 F401 I403I369-M371 HydrophobicContact CG2-CG 3.71Å; I369-M371 HydrophobicContact CG2-SD 4.32Å; M371-A400 WeakPolarHBondContact O-CA 3.42Å; M371-F401 HydrophobicContact CB-CE1 4.13Å; M371-F401 HydrophobicContact CB-CZ 4.29Å; M371-F401 HydrophobicContact CE-CE1 4.16Å; M371-F401 HydrophobicContact CE-CE2 3.76Å; M371-F401 HydrophobicContact CE-CZ 3.32Å; M371-F401 PolarHBondContact N-O 3.38Å; M371-F401 PolarHBondContact O-N 3.2Å; M371-F401 VanDerWaalsContact O-N 3.08Å; M371-I403 HydrophobicContact CE-CD1 4.33Å
372D72Confident52.9Low82 Ų82104.4 Ų104.444%0.43960%0.6SS.*EExtended strand (participates in β ladder)trans-103.5112.5-175.8-65.8-24.2000109.3R370 P374 A400R370-D372 WeakPolarHBondContact CD-OD1 3.49Å; R370-D372 WeakPolarHBondContact CG-OD1 3.36Å; R370-D372 IonicContact CZ-OD1 2.75Å; R370-D372 IonicContact CZ-OD2 3.53Å; R370-D372 IonicContact NE-OD1 3.35Å; R370-D372 PolarHBondContact NE-OD1 3.23Å; R370-D372 IonicContact NH1-OD1 2.66Å; R370-D372 PolarHBondContact NH1-OD1 2.93Å; R370-D372 IonicContact NH1-OD2 3.29Å; R370-D372 PolarHBondContact NH1-OD2 3.35Å; R370-D372 IonicContact NH2-OD1 2.7Å; D372-P374 WeakPolarHBondContact O-CD 3.14Å; D372-A400 WeakPolarHBondContact OD1-CB 3.42Å
373I68.5Low53.3Low84 Ų84105.2 Ų105.243%0.43161%0.607SS.*EExtended strand (participates in β ladder)trans-90.5113.5175.1-58.4175.8000108.3F375 T398 A399 F401I373-F375 PolarHBondContact O-N 3.4Å; I373-T398 CarbonylContact O-C 3.59Å; I373-T398 VanDerWaalsContact O-CA 3.27Å; I373-T398 WeakPolarHBondContact O-CA 3.42Å; I373-A399 PolarHBondContact N-O 2.87Å; I373-A399 PolarHBondContact O-N 2.89Å; I373-F401 HydrophobicContact CD1-CD1 4.5Å; I373-F401 HydrophobicContact CD1-CE1 4.04Å; I373-F401 HydrophobicContact CG1-CE1 4.42Å
374P58.1Low53.7Low100 Ų100107 Ų10765%0.64962%0.616SS**EExtended strand (participates in β ladder)trans-73.2124.2166.930.3-32000109.6D372 T398D372-P374 WeakPolarHBondContact O-CD 3.14Å; P374-T398 HydrophobicContact CB-CG2 4.48Å
375F54.2Low53.6Low119 Ų119112.7 Ų112.752%0.52264%0.637SS.*PPolyproline II helixtrans-75.4136.1162.7-64.5-68.3000108.9I373 R397 A399I373-F375 PolarHBondContact O-N 3.4Å; F375-R397 HydrophobicContact CB-CB 4.49Å; F375-R397 WeakPolarHBondContact CB-O 3.34Å; F375-R397 HydrophobicContact CD2-CB 3.87Å; F375-R397 VanDerWaalsContact CD2-O 3.3Å; F375-R397 WeakPolarHBondContact CD2-O 3.48Å; F375-R397 PolarHBondContact N-O 3.29Å; F375-A399 HydrophobicContact CE2-CB 3.55Å; F375-A399 HydrophobicContact CZ-CB 3.71Å
376A52.2Low53.6Low83 Ų83110.9 Ų110.969%0.68664%0.641SS**PPolyproline II helixtrans-58.3142.3168.400000109.8V378A376-V378 PolarHBondContact O-N 2.9Å
377P50.1Low52.8Low81 Ų81116 Ų11653%0.52666%0.664SS.*PPolyproline II helixtrans-59.6124.6173.625.4-32.8000108.9P379 E394P377-P379 WeakPolarHBondContact O-CD 3.49Å; P377-E394 WeakPolarHBondContact CB-OE1 3.46Å
378V52.3Low51.7Low131 Ų131116 Ų11679%0.79467%0.67SS**PPolyproline II helixtrans-66.7118.2176.9178.70000107.2A376 A380A376-V378 PolarHBondContact O-N 2.9Å; V378-A380 PolarHBondContact O-N 2.81Å; V378-A380 VanDerWaalsContact O-N 3.08Å
379P47.3Very low50Low119 Ų119119.5 Ų119.577%0.77368%0.683SS**PPolyproline II helixtrans-62.5118.4-176.724.7-33.3000109.3P377 G381P377-P379 WeakPolarHBondContact O-CD 3.49Å; P379-G381 PolarHBondContact O-N 3.35Å
380A47Very low48.2Very low101 Ų101120.5 Ų120.584%0.83570%0.696SS**  trans-62.1108.6177.300000109.2V378V378-A380 PolarHBondContact O-N 2.81Å; V378-A380 VanDerWaalsContact O-N 3.08Å
381G38.2Very low46.8Very low67 Ų67123.1 Ų123.169%0.69171%0.713SS**  trans-54.8144.7176.900000110.9P379 A383P379-G381 PolarHBondContact O-N 3.35Å; G381-A383 VanDerWaalsContact C-N 3.3Å; G381-A383 PolarHBondContact O-N 3.29Å
382K35.8Very low45.3Very low212 Ų212124.1 Ų124.192%0.92273%0.729SS**  trans-62.682.1-172.2-65.1179.9-179.7177.50112.5
383A41.2Very low44Very low95 Ų95125.2 Ų125.279%0.78574%0.743SS**PPolyproline II helixtrans-79.2137.9167.500000109.6G381G381-A383 VanDerWaalsContact C-N 3.3Å; G381-A383 PolarHBondContact O-N 3.29Å
384N40.5Very low42.8Very low159 Ų159128 Ų12885%0.8575%0.754SS**PPolyproline II helixtrans-63.3150.6-166.6-76.1-37.7000114.3N386N384-N386 PolarHBondContact O-N 2.98Å
385H35.9Very low42.2Very low197 Ų197127.1 Ų127.191%0.91275%0.75SS**PPolyproline II helixtrans-49.8119.6176.6-71.9-85.1000112.5
386N41.7Very low42.1Very low162 Ų162129.1 Ų129.187%0.86676%0.761SS**  trans-142.7135.6155.1-140.1-21.8000109.5N384 G388N384-N386 PolarHBondContact O-N 2.98Å; N386-G388 VanDerWaalsContact C-N 3.29Å; N386-G388 PolarHBondContact O-N 3.44Å
387K37Very low42.1Very low217 Ų217133.7 Ų133.794%0.94376%0.76SS**  trans-80.270.2-168.2-73.2-177.2176.4177.40112.2
388G37.3Very low42.2Very low58 Ų58133.1 Ų133.160%0.59876%0.755SS**  trans-98.9120172.100000112.2N386 C390N386-G388 VanDerWaalsContact C-N 3.29Å; N386-G388 PolarHBondContact O-N 3.44Å; G388-C390 PolarHBondContact O-N 3.36Å; G388-C390 VanDerWaalsContact O-N 3.09Å
389N33.6Very low42.4Very low143 Ų143128.4 Ų128.477%0.76573%0.73SS**  trans-75.794.5177.5-178.255.4000111.5
390C32.4Very low43Very low108 Ų108123.2 Ų123.273%0.7370%0.697SS**  trans-128.6104.4-177.3-730000112.1G388 S392G388-C390 PolarHBondContact O-N 3.36Å; G388-C390 VanDerWaalsContact O-N 3.09Å; C390-S392 PolarHBondContact O-N 3.34Å
391H36.4Very low43.9Very low181 Ų181120.9 Ų120.984%0.83867%0.669SS**  trans-73.270.6166.5-64.4-72.5000110.7S393H391-S393 PolarHBondContact O-N 2.89Å
392S39.7Very low44.9Very low107 Ų107119.2 Ų119.275%0.74865%0.645SS**  trans-76.2100.8173.9-179.60000109.5C390 E394C390-S392 PolarHBondContact O-N 3.34Å; S392-E394 PolarHBondContact O-N 2.8Å
393S45.4Very low46.4Very low105 Ų105110.6 Ų110.673%0.73461%0.609SS**  trans-56.2120.8175.754.60000110.8H391 S395H391-S393 PolarHBondContact O-N 2.89Å; S393-S395 PolarHBondContact O-N 3.02Å
394E42.8Very low47.3Very low144 Ų144109.1 Ų109.167%0.67359%0.585SS**  trans-67.5108.6179.8-168156.9-177.500110.3P377 S392 H396P377-E394 WeakPolarHBondContact CB-OE1 3.46Å; S392-E394 PolarHBondContact O-N 2.8Å; E394-H396 PolarHBondContact O-N 2.94Å
395S45.8Very low48.4Very low81 Ų81105.4 Ų105.457%0.56656%0.562SS**  trans-78.692.5-172.2-178.80000109.6S393 R397S393-S395 PolarHBondContact O-N 3.02Å; S395-R397 VanDerWaalsContact C-N 3.33Å; S395-R397 PolarHBondContact O-N 3.27Å
396H52.1Low49.6Very low161 Ų16197.7 Ų97.775%0.74553%0.527SS*.  trans-55.897.2163.3-72.4-74.9000109.1E394 T398E394-H396 PolarHBondContact O-N 2.94Å; H396-T398 PolarHBondContact O-N 3.33Å
397R52Low50.4Low179 Ų17996.9 Ų96.968%0.67552%0.518SS*.  trans-81.4114.9173.1-66.4-175.9-179.6-173.20.6107.8F375 S395F375-R397 HydrophobicContact CB-CB 4.49Å; F375-R397 WeakPolarHBondContact CB-O 3.34Å; F375-R397 HydrophobicContact CD2-CB 3.87Å; F375-R397 VanDerWaalsContact CD2-O 3.3Å; F375-R397 WeakPolarHBondContact CD2-O 3.48Å; F375-R397 PolarHBondContact N-O 3.29Å; S395-R397 VanDerWaalsContact C-N 3.33Å; S395-R397 PolarHBondContact O-N 3.27Å
398T52.3Low51.1Low68 Ų6892 Ų9242%0.41750%0.503SS..EExtended strand (participates in β ladder)trans-103.4138.8164.742.50000109I373 P374 H396I373-T398 CarbonylContact O-C 3.59Å; I373-T398 VanDerWaalsContact O-CA 3.27Å; I373-T398 WeakPolarHBondContact O-CA 3.42Å; P374-T398 HydrophobicContact CB-CG2 4.48Å; H396-T398 PolarHBondContact O-N 3.33Å
399A55.4Low51.8Low32 Ų3298.3 Ų98.326%0.26452%0.516SS..EExtended strand (participates in β ladder)trans-102.9117.8163.100000108.5I373 F375I373-A399 PolarHBondContact N-O 2.87Å; I373-A399 PolarHBondContact O-N 2.89Å; F375-A399 HydrophobicContact CE2-CB 3.55Å; F375-A399 HydrophobicContact CZ-CB 3.71Å
400A61.4Low52.6Low10 Ų1096.2 Ų96.28%0.08351%0.513CS..EExtended strand (participates in β ladder)trans-94.6148.8171.300000110.6R370 M371 D372R370-A400 HydrophobicContact CG-CB 4.26Å; R370-A400 VanDerWaalsContact CZ-CB 3.42Å; R370-A400 VanDerWaalsContact NH2-CB 3.34Å; M371-A400 WeakPolarHBondContact O-CA 3.42Å; D372-A400 WeakPolarHBondContact OD1-CB 3.42Å
401F64.7Low53.3Low53 Ų5394.7 Ų94.723%0.23250%0.5CS..EExtended strand (participates in β ladder)trans-140.2151.5159.866.7-81000110.6R370 M371 I373 I403 V414R370-F401 WeakPolarHBondContact CA-O 3.41Å; M371-F401 HydrophobicContact CB-CE1 4.13Å; M371-F401 HydrophobicContact CB-CZ 4.29Å; M371-F401 HydrophobicContact CE-CE1 4.16Å; M371-F401 HydrophobicContact CE-CE2 3.76Å; M371-F401 HydrophobicContact CE-CZ 3.32Å; M371-F401 PolarHBondContact N-O 3.38Å; M371-F401 PolarHBondContact O-N 3.2Å; M371-F401 VanDerWaalsContact O-N 3.08Å; I373-F401 HydrophobicContact CD1-CD1 4.5Å; I373-F401 HydrophobicContact CD1-CE1 4.04Å; I373-F401 HydrophobicContact CG1-CE1 4.42Å; F401-I403 HydrophobicContact CD2-CG1 4.33Å; F401-I403 HydrophobicContact CE2-CD1 4.31Å; F401-I403 HydrophobicContact CE2-CG1 4.18Å; F401-V414 HydrophobicContact CD2-CG1 3.99Å
402T59.3Low53.8Low31 Ų3189.6 Ų89.619%0.1948%0.48CS..EExtended strand (participates in β ladder)trans-119121.1-177.5-54.90000110.3I369 A415I369-T402 WeakPolarHBondContact O-CA 3.35Å; T402-A415 PolarHBondContact N-O 3.1Å; T402-A415 VanDerWaalsContact N-O 3.1Å; T402-A415 PolarHBondContact O-N 3.42Å
403I67.5Low53.9Low32 Ų3290.7 Ų90.716%0.16447%0.474CS..EExtended strand (participates in β ladder)trans-85.8120.8168.1-55.7173.4000106.7S368 I369 M371 F401 F405 V414S368-I403 CarbonylContact C-O 3.55Å; S368-I403 WeakPolarHBondContact CA-O 3.41Å; S368-I403 WeakPolarHBondContact CB-O 3.5Å; I369-I403 PolarHBondContact N-O 3.21Å; I369-I403 PolarHBondContact O-N 3.48Å; M371-I403 HydrophobicContact CE-CD1 4.33Å; F401-I403 HydrophobicContact CD2-CG1 4.33Å; F401-I403 HydrophobicContact CE2-CD1 4.31Å; F401-I403 HydrophobicContact CE2-CG1 4.18Å; I403-F405 HydrophobicContact CG2-CD1 4.41Å; I403-F405 HydrophobicContact CG2-CD2 4.49Å; I403-F405 HydrophobicContact CG2-CE1 3.94Å; I403-F405 HydrophobicContact CG2-CE2 4.02Å; I403-F405 HydrophobicContact CG2-CZ 3.72Å; I403-V414 HydrophobicContact CG1-CG2 4.38Å
404Q60.6Low54Low63 Ų6389.6 Ų89.629%0.29446%0.463SS..EExtended strand (participates in β ladder)trans-98.1121.3167-68.9-173.925.400109.1M413Q404-M413 PolarHBondContact N-O 2.88Å; Q404-M413 PolarHBondContact O-N 3.02Å
405F62.3Low54.1Low81 Ų8184.5 Ų84.536%0.35545%0.445SS..PPolyproline II helixtrans-85.7121.7167.5-57.9-78.2000108.5A367 I369 I403 N412A367-F405 HydrophobicContact CB-CB 4.29Å; A367-F405 HydrophobicContact CB-CD2 4.18Å; A367-F405 WeakPolarHBondContact O-CB 3.35Å; A367-F405 WeakPolarHBondContact O-CD2 3.46Å; A367-F405 PolarHBondContact O-N 3.15Å; I369-F405 HydrophobicContact CD1-CE2 3.8Å; I369-F405 HydrophobicContact CD1-CZ 4.29Å; I369-F405 HydrophobicContact CG1-CE2 3.98Å; I403-F405 HydrophobicContact CG2-CD1 4.41Å; I403-F405 HydrophobicContact CG2-CD2 4.49Å; I403-F405 HydrophobicContact CG2-CE1 3.94Å; I403-F405 HydrophobicContact CG2-CE2 4.02Å; I403-F405 HydrophobicContact CG2-CZ 3.72Å; F405-N412 WeakPolarHBondContact CA-OD1 3.35Å
406N62.9Low53.7Low36 Ų3687.2 Ų87.219%0.19345%0.452CS..PPolyproline II helixtrans-98.8146.3165.3-63.8-44.3000107.4K366 D408 T411 N412K366-N406 WeakPolarHBondContact CE-OD1 3.4Å; N406-D408 PolarHBondContact O-N 3Å; N406-T411 PolarHBondContact ND2-O 2.77Å; N406-N412 PolarHBondContact N-OD1 2.9Å; N406-N412 PolarHBondContact O-OD1 3.44Å
407E58.4Low53.2Low144 Ų14486.5 Ų86.567%0.67345%0.449SS*.SBendtrans-65.7-27.1178.1-65.3171.5125.100111Q409E407-Q409 PolarHBondContact O-N 2.69Å
408D50.3Low52.6Low115 Ų11586.4 Ų86.462%0.61545%0.454SS*.SBendtrans-6697.4165.2-66.4-48.9000111.7N406 S410 T411N406-D408 PolarHBondContact O-N 3Å; D408-S410 PolarHBondContact O-N 3.08Å; D408-T411 PolarHBondContact O-N 2.77Å; D408-T411 VanDerWaalsContact O-N 3.13Å
409Q51.6Low51.9Low190 Ų19088.8 Ų88.889%0.88846%0.46SS*.THydrogen-bonded Turntrans-54.8-10.5179.8-57.9-173.914.600115.2E407E407-Q409 PolarHBondContact O-N 2.69Å
410S50.4Low51.1Low100 Ų10092 Ų9270%0.69948%0.481SS*.THydrogen-bonded Turntrans-77.9-24.6178.757.90000114.5D408D408-S410 PolarHBondContact O-N 3.08Å
411T47.1Very low49.9Very low75 Ų7597.1 Ų97.146%0.4651%0.511SS..  trans-144.750.8-163.853.60000115.4N406 D408 M413N406-T411 PolarHBondContact ND2-O 2.77Å; D408-T411 PolarHBondContact O-N 2.77Å; D408-T411 VanDerWaalsContact O-N 3.13Å; T411-M413 PolarHBondContact O-N 3.07Å
412N48.6Very low48.4Very low75 Ų75104.3 Ų104.340%0.40154%0.537SS..  trans-68.2115.4166.6-74.6-29.5000110.7F405 N406F405-N412 WeakPolarHBondContact CA-OD1 3.35Å; N406-N412 PolarHBondContact N-OD1 2.9Å; N406-N412 PolarHBondContact O-OD1 3.44Å
413M40.2Very low46.9Very low129 Ų129108.3 Ų108.364%0.63557%0.566SS**EExtended strand (participates in β ladder)trans-99.8134-178.4-63.1-143.1-56.500111.9Q404 T411Q404-M413 PolarHBondContact N-O 2.88Å; Q404-M413 PolarHBondContact O-N 3.02Å; T411-M413 PolarHBondContact O-N 3.07Å
414V47.9Very low45.2Very low82 Ų82116.3 Ų116.350%0.49760%0.596SS.*EExtended strand (participates in β ladder)trans-100.8117.1170.8-177.30000108.6F401 I403F401-V414 HydrophobicContact CD2-CG1 3.99Å; I403-V414 HydrophobicContact CG1-CG2 4.38Å
415A45.1Very low43.8Very low37 Ų37121.5 Ų121.531%0.30662%0.62SS.*EExtended strand (participates in β ladder)trans-98.2113.6175.700000110T402 E417T402-A415 PolarHBondContact N-O 3.1Å; T402-A415 VanDerWaalsContact N-O 3.1Å; T402-A415 PolarHBondContact O-N 3.42Å; A415-E417 PolarHBondContact O-N 3.25Å
416I38.5Very low42.1Very low139 Ų139129.4 Ų129.471%0.71365%0.647SS**  trans-90.381.8171.4-52.8177.9000108.1K418I416-K418 PolarHBondContact O-N 2.87Å; I416-K418 VanDerWaalsContact O-N 3.1Å
417E41.1Very low40.8Very low146 Ų146134.2 Ų134.268%0.68267%0.672SS**  trans-75.694.6169.4-69.3-168.4164.900109.5A415 E419A415-E417 PolarHBondContact O-N 3.25Å; E417-E419 PolarHBondContact O-N 3.04Å
418K39.6Very low39.5Very low177 Ų177138.9 Ų138.977%0.7768%0.684SS**  trans-61.2103.1169.3-168.2171.1-169.9168.20107.9I416 S420I416-K418 PolarHBondContact O-N 2.87Å; I416-K418 VanDerWaalsContact O-N 3.1Å; K418-S420 PolarHBondContact O-N 3.14Å
419E37.6Very low38.7Very low117 Ų117141.2 Ų141.255%0.54769%0.693SS.*  trans-6780.6-176.4-167.7166.1168.800110.3R370 E417 T421R370-E419 IonicContact NH2-OE2 2.85Å; R370-E419 PolarHBondContact NH2-OE2 3.16Å; E417-E419 PolarHBondContact O-N 3.04Å; E419-T421 PolarHBondContact O-N 2.9Å
420S38.4Very low37.8Very low101 Ų101136.5 Ų136.571%0.70669%0.686SS**  trans-58.8121177.6-177.60000108.3K418 R422K418-S420 PolarHBondContact O-N 3.14Å; S420-R422 PolarHBondContact O-N 2.94Å
421T37Very low36.9Very low117 Ų117143.5 Ų143.572%0.71870%0.697SS**  trans-42.4105.5-173.246.30000110.6E419 S423E419-T421 PolarHBondContact O-N 2.9Å; T421-S423 PolarHBondContact O-N 3.22Å; T421-S423 VanDerWaalsContact O-N 3.1Å
422R32.2Very low36.4Very low203 Ų203146.1 Ų146.177%0.76671%0.713SS**  trans-51.2120.3-174.5-158-179.8-164-169.87.4108.1S420 Y424S420-R422 PolarHBondContact O-N 2.94Å; R422-Y424 VanDerWaalsContact O-CD2 3.27Å; R422-Y424 WeakPolarHBondContact O-CD2 3.42Å; R422-Y424 PolarHBondContact O-N 2.94Å
423S28.4Very low35.8Very low115 Ų115150.7 Ų150.780%0.80473%0.729SS**  trans-73.775.7-167.645.90000111.8T421 Q425T421-S423 PolarHBondContact O-N 3.22Å; T421-S423 VanDerWaalsContact O-N 3.1Å; S423-Q425 PolarHBondContact O-N 2.71Å
424Y31.2Very low35.5Very low201 Ų201151 Ų15179%0.78874%0.741SS**  trans-48.7137.1165.5-76.9-79.6000109.1R422 R426R422-Y424 VanDerWaalsContact O-CD2 3.27Å; R422-Y424 WeakPolarHBondContact O-CD2 3.42Å; R422-Y424 PolarHBondContact O-N 2.94Å; Y424-R426 PolarHBondContact O-N 3.1Å
425Q30.3Very low34.9Very low172 Ų172151.8 Ų151.880%0.80475%0.75SS**  trans-47.6124.9-155.6-65.5172.5-10.100112.2S423 L427S423-Q425 PolarHBondContact O-N 2.71Å; Q425-L427 PolarHBondContact O-N 3.38Å
426R28.5Very low34.4Very low246 Ų246154.7 Ų154.793%0.92877%0.768SS**  trans-58.894.5157.5-100.8-174.5172.7167.7-0.7107.2Y424 R428Y424-R426 PolarHBondContact O-N 3.1Å; R426-R428 PolarHBondContact O-N 3.32Å; R426-R428 VanDerWaalsContact O-N 3.08Å
427L34Very low33.9Very low137 Ų137154.2 Ų154.272%0.71777%0.772SS**  trans-49.2119164.6-81.7167.3000106.7Q425 M429Q425-L427 PolarHBondContact O-N 3.38Å; L427-M429 PolarHBondContact O-N 3.5Å
428R31.3Very low33.7Very low243 Ų243153.7 Ų153.792%0.91778%0.779SS**  trans-72.974.7-179-73.3-176.9174.4178.7-1.2109.2R426 A430R426-R428 PolarHBondContact O-N 3.32Å; R426-R428 VanDerWaalsContact O-N 3.08Å; R428-A430 PolarHBondContact O-N 3.1Å; R428-A430 VanDerWaalsContact O-N 3.07Å
429M33.6Very low33.4Very low164 Ų164154.9 Ų154.981%0.80878%0.784SS**  trans-55.1115.9163-73.3-62.3167.900107.4L427 R431L427-M429 PolarHBondContact O-N 3.5Å; M429-R431 PolarHBondContact O-N 2.94Å
430A32.1Very low33.5Very low90 Ų90158.4 Ų158.474%0.74480%0.803SS**  trans-65.2109.4-171.800000109R428 V432R428-A430 PolarHBondContact O-N 3.1Å; R428-A430 VanDerWaalsContact O-N 3.07Å; A430-V432 PolarHBondContact O-N 3.48Å
431R32.5Very low33.1Very low248 Ų248163.3 Ų163.394%0.93681%0.812SS**  trans-68.296.9177.7-159.9176.7-160.4167.55.5108.2M429 K433M429-R431 PolarHBondContact O-N 2.94Å; R431-K433 PolarHBondContact O-N 2.9Å
432V36.2Very low33.2Very low130 Ų130164.9 Ų164.979%0.78882%0.82SS**PPolyproline II helixtrans-51.8124.1178.51780000108.5A430 P434A430-V432 PolarHBondContact O-N 3.48Å; V432-P434 WeakPolarHBondContact O-CD 3.44Å
433K36.8Very low33.5Very low170 Ų170159.8 Ų159.874%0.73982%0.822SS**PPolyproline II helixtrans-74.5119.6177-70.5-177.6177.8-179.60108.9R431 S435R431-K433 PolarHBondContact O-N 2.9Å; K433-S435 PolarHBondContact O-N 3.21Å; K433-S435 VanDerWaalsContact O-N 3.08Å; K433-S435 PolarHBondContact O-OG 2.86Å
434P32.9Very low33.6Very low135 Ų135164.4 Ų164.488%0.87783%0.828SS**PPolyproline II helixtrans-61.1116.3164.427.2-32.3000107.4V432V432-P434 WeakPolarHBondContact O-CD 3.44Å
435S34.9Very low33.9Very low99 Ų99159.5 Ų159.569%0.69283%0.829SS**  trans-116.5121.6-166.2-63.30000110.8K433K433-S435 PolarHBondContact O-N 3.21Å; K433-S435 VanDerWaalsContact O-N 3.08Å; K433-S435 PolarHBondContact O-OG 2.86Å
436S34.6Very low34.5Very low98 Ų98160.8 Ų160.869%0.68583%0.832SS**  trans52.4102.8167-167.60000117.8T438S436-T438 PolarHBondContact O-N 2.99Å
437T29.8Very low34.5Very low129 Ų129155 Ų15579%0.79183%0.825SS**  trans-14125.5139.9510000115.8
438T36.3Very low34.7Very low136 Ų136154 Ų15483%0.83483%0.825SS**  trans-122.3128.9160.3-51.60000108.1S436S436-T438 PolarHBondContact O-N 2.99Å
439K33.1Very low35.1Very low202 Ų202150.3 Ų150.388%0.87882%0.818SS**  trans-81.1126.2-169.8-60.2177.8-177.3178.80111.3
440M38.4Very low35.2Very low191 Ų191150.8 Ų150.894%0.94182%0.819SS**  trans-97.5156.6155.6-68-156.575.300110.6
441K31.7Very low35.3Very low204 Ų204152.6 Ų152.689%0.88782%0.82SS**  trans-129.5102.9-156.2176.9-170.2176.6-171.90109.9
442V38.7Very low35.5Very low149 Ų149146 Ų14690%0.90381%0.81SS**  trans-115.5154.4173.2-174.80000109.2
443A37.3Very low35.2Very low97 Ų97144 Ų14480%0.80281%0.806SS**  trans-84.9161.3-156.300000115.5
444K31.7Very low35.4Very low212 Ų212146.3 Ų146.392%0.92282%0.816SS**  trans-74.3135.2174.2-70-179.8172.7-176.90112
445A37Very low35.4Very low98 Ų98144.3 Ų144.381%0.8181%0.811SS**  trans-111.2168.7143.300000109.1
446K42.1Very low35.5Very low199 Ų199148 Ų14887%0.86582%0.822SS**  trans-103.2147.4-173-61.8178.1-177.31760112
447P29.5Very low35.4Very low123 Ų123148.9 Ų148.980%0.79982%0.823SS**  trans-86.6127171.633.4-31000112.1
448V38.3Very low35.6Very low116 Ų116150.2 Ų150.270%0.70383%0.825SS**  trans-163.2133.41781660000106.3
449E39.6Very low35.5Very low167 Ų167152 Ų15278%0.7882%0.824SS**  cis-143.5-109.4-11.8-14176.4-84.800109.9
450E34.7Very low35.8Very low174 Ų174148.9 Ų148.981%0.81382%0.822SS**  trans-128.4140.8-172.8-62.7-172.6131.900115.1
451V35.9Very low35.8Very low127 Ų127145.5 Ų145.577%0.7781%0.812SS**  48.7136.1125.2-178.10000120.6
452P35.1Very low36.3Very low111 Ų111142.5 Ų142.572%0.72181%0.806SS**  cis-144.4-174.8-29.842-21.7000115.6
453A30.4Very low36.3Very low87 Ų87142.1 Ų142.172%0.71980%0.799SS**  trans54.1103.3144.600000122
454K41.1Very low36.3Very low219 Ų219144.8 Ų144.895%0.95280%0.799SS**  -165156.1114.3-103.7159-172.6175.20111.2
455A32.2Very low36.5Very low93 Ų93141.8 Ų141.877%0.76979%0.794SS**  trans-93.1146.9-166.400000114.3
456L37.2Very low36.3Very low177 Ų177142.3 Ų142.393%0.92780%0.798SS**  trans-148.7161.1133.2-144.175.4000109.7
457V33Very low36Very low115 Ų115138.3 Ų138.370%0.69779%0.79SS**  trans-103.8146.8-170.4172.50000110.7
458N35Very low36.3Very low157 Ų157137.4 Ų137.484%0.8479%0.786SS**  trans-171.3150.8133-93.6-5.4000111.1
459E33.7Very low36.1Very low174 Ų174140 Ų14081%0.81379%0.791SS**  trans-80.9149.2-173.1-59.6159.690.100113.3
460T39.3Very low35.6Very low137 Ų137138.1 Ų138.184%0.8480%0.795SS**  -161.2114.8122.6180000111.3
461V38.4Very low35.3Very low119 Ų119132.8 Ų132.872%0.72179%0.787SS**  trans9.9121.5145.4-153.40000118.6
462D41.5Very low34.9Very low141 Ų141133.5 Ų133.575%0.75479%0.791SS**  -179.7140.7111.4-93.9-35.1000113.4
463D38.9Very low34.5Very low142 Ų142138.2 Ų138.276%0.75980%0.796SS**  trans49.5147.4157-67.3-32.3000125.8
464D37.1Very low34.4Very low152 Ų152140.3 Ų140.381%0.81380%0.8SS**  trans48.692152.2-71.7-27.5000121.6
465D36.7Very low34Very low150 Ų150136.2 Ų136.280%0.80279%0.793SS**  -170.3116.9116.4-120.1-26.5000112.4V467D465-V467 PolarHBondContact O-N 2.74Å
466A32.7Very low33.9Very low109 Ų109139 Ų13990%0.90180%0.795SS**  trans-97.971.9-177.600000112.6
467V35Very low33.6Very low114 Ų114139.2 Ų139.269%0.69179%0.791SS**  trans-131.7144.1173.1-70.30000111.5D465D465-V467 PolarHBondContact O-N 2.74Å
468S36Very low33.5Very low104 Ų104142.6 Ų142.673%0.72780%0.8SS**  trans65.2168-169.5-1270000113.1
469E35.2Very low33.3Very low171 Ų171141.8 Ų141.880%0.79981%0.805SS**  cis-144.2174.71.3-159.9138.8126.800111.3G471E469-G471 PolarHBondContact O-N 2.95Å
470C28.4Very low33.1Very low128 Ų128138.6 Ų138.687%0.86580%0.802SS**  trans-74.787.1178.3-63.50000112.8T472C470-T472 PolarHBondContact O-N 3.23Å
471G28.6Very low32.6Very low62 Ų62143.1 Ų143.164%0.63981%0.805SS**  trans-8698.7174.700000114E469 Y473E469-G471 PolarHBondContact O-N 2.95Å; G471-Y473 PolarHBondContact O-N 3.49Å
472T26.9Very low32.1Very low141 Ų141142 Ų14287%0.86581%0.808SS**  trans-76.7106.8165.548.30000110.4C470C470-T472 PolarHBondContact O-N 3.23Å
473Y28.2Very low31.6Very low210 Ų210144.3 Ų144.382%0.82481%0.812SS**  trans-109.6112.8169.4-91.7-90.5000111.1G471G471-Y473 PolarHBondContact O-N 3.49Å
474T27.4Very low31.3Very low132 Ų132145.1 Ų145.181%0.8182%0.816SS**  trans-71.4132156.146.40000108.7
475V31.9Very low31Very low132 Ų132147.1 Ų147.180%0.882%0.82SS**  trans-129.7136163-179.90000106
476D30.7Very low30.6Very low151 Ų151148.6 Ų148.681%0.80782%0.822SS**  trans-71.6179.9-163.3-67.7-75.2000115.4
477E30.3Very low30.6Very low182 Ų182151 Ų15185%0.8582%0.819SS**  trans-71.1-167-170.9-57.3-179.194.900114.1
478E31Very low30.4Very low187 Ų187157.1 Ų157.187%0.87483%0.832SS**  trans75.350.7170.8-50.2-158.6138.600118
479C32.2Very low30.1Very low139 Ų139158.1 Ų158.194%0.93984%0.839SS**  trans-132.548152.1-96.90000113.3
480S28.5Very low29.9Very low108 Ų108153.3 Ų153.376%0.75584%0.835SS**  trans-72.6125.4168.8-66.20000111.4
481Y28.4Very low30.2Very low232 Ų232152.6 Ų152.691%0.9182%0.823SS**  -163.6134.8125.8-115.3-73.6000112.7
482A28.4Very low30.8Very low96 Ų96152.3 Ų152.379%0.79382%0.82SS**  trans-76.1134.8-167.400000114.6
483K30.7Very low31.6Very low189 Ų189148.5 Ų148.582%0.82280%0.799SS**  trans-152.2149.3150.9-136.1163.8-173.4168.40110.4
484N34Very low32.7Very low159 Ų159143.5 Ų143.585%0.8579%0.787SS**SBendtrans71.619.8175.7-48.8-16.9000117.8
485Q30.6Very low34.3Very low193 Ų193143 Ų14390%0.90278%0.779SS**  trans-117.282.5159.7-74.9-162.355.300111
486Q27.7Very low35.8Very low181 Ų181145.5 Ų145.585%0.84677%0.774SS**  trans-151.3147.8163.8-110.9178.1-4.400108.9
487L33.3Very low37.4Very low160 Ų160142 Ų14284%0.83876%0.755SS**SBendtrans6449173.6-63.5161.3000116.5
488Y30.8Very low39.2Very low242 Ų242135.5 Ų135.595%0.94973%0.733SS**  trans-120.445150-102.3-82.6000111.5
489S29Very low40.9Very low125 Ų125130.1 Ų130.187%0.87471%0.71SS**  trans-133.176.5174.2-56.70000108.7
490G31.9Very low42.6Very low71 Ų71127.5 Ų127.573%0.73269%0.686SS**SBendtrans-154.4149.8-178.800000110.4G492G490-G492 PolarHBondContact O-N 2.99Å
491D34.5Very low44.6Very low112 Ų112128.7 Ų128.760%0.59968%0.678SS**  trans-75.194.5-165-160.7-39000113.1S493 D494D491-S493 PolarHBondContact O-N 3.41Å; D491-S493 VanDerWaalsContact O-N 3.08Å; D491-S493 WeakPolarHBondContact OD1-CB 3.47Å; D491-S493 PolarHBondContact OD1-N 3.2Å; D491-S493 PolarHBondContact OD1-OG 2.89Å; D491-D494 PolarHBondContact O-N 3.41Å
492G39.9Very low46.4Very low56 Ų56121.4 Ų121.458%0.57765%0.652SS**Hα-helixtrans-66.8-1.9178.400000115.3G490G490-G492 PolarHBondContact O-N 2.99Å
493S45.4Very low48Very low62 Ų62119.4 Ų119.443%0.43463%0.627SS.*Hα-helixtrans-77.1-35.5172.676.50000112D491 R496 N497D491-S493 PolarHBondContact O-N 3.41Å; D491-S493 VanDerWaalsContact O-N 3.08Å; D491-S493 WeakPolarHBondContact OD1-CB 3.47Å; D491-S493 PolarHBondContact OD1-N 3.2Å; D491-S493 PolarHBondContact OD1-OG 2.89Å; S493-R496 PolarHBondContact O-N 3.4Å; S493-N497 PolarHBondContact O-N 3.22Å; S493-N497 VanDerWaalsContact O-N 3.09Å; S493-N497 PolarHBondContact O-ND2 3.24Å
494D50.5Low49.9Very low104 Ų104115.4 Ų115.456%0.55661%0.614SS**Hα-helixtrans-73.5-40-177.2-97.9-27.7000112.6D491 R496 N497 A498D491-D494 PolarHBondContact O-N 3.41Å; D494-R496 VanDerWaalsContact C-N 3.27Å; D494-R496 PolarHBondContact O-N 3.49Å; D494-N497 CarbonylContact O-C 3.58Å; D494-N497 PolarHBondContact O-N 2.69Å; D494-N497 VanDerWaalsContact O-N 3.12Å; D494-A498 WeakPolarHBondContact O-CB 3.28Å; D494-A498 PolarHBondContact O-N 3.44Å
495D61.6Low51.4Low122 Ų122111.9 Ų111.965%0.65259%0.591SS**Hα-helixtrans-59.2-39.1174.4-96.9-18.4000111.9A498 L499D495-A498 PolarHBondContact O-N 2.94Å; D495-L499 WeakPolarHBondContact O-CB 3.24Å; D495-L499 PolarHBondContact O-N 3.41Å
496R61.7Low52.9Low184 Ų184106.8 Ų106.869%0.69457%0.569SS**Hα-helixtrans-66.7-42.1175.1-177.7176.7177176.3-0.5111.4S493 D494 L499 L500S493-R496 PolarHBondContact O-N 3.4Å; D494-R496 VanDerWaalsContact C-N 3.27Å; D494-R496 PolarHBondContact O-N 3.49Å; R496-L499 PolarHBondContact O-N 2.98Å; R496-L500 HydrophobicContact CG-CD1 4.05Å; R496-L500 VanDerWaalsContact O-CD1 3.29Å; R496-L500 WeakPolarHBondContact O-CD1 3.43Å; R496-L500 PolarHBondContact O-N 3.11Å
497N65.8Low54.3Low78 Ų78101.2 Ų101.242%0.41755%0.55SS.*Hα-helixtrans-68.6-33.9176.4-77.8-37.7000112.4S493 D494 K501S493-N497 PolarHBondContact O-N 3.22Å; S493-N497 VanDerWaalsContact O-N 3.09Å; S493-N497 PolarHBondContact O-ND2 3.24Å; D494-N497 CarbonylContact O-C 3.58Å; D494-N497 PolarHBondContact O-N 2.69Å; D494-N497 VanDerWaalsContact O-N 3.12Å; N497-K501 WeakPolarHBondContact O-CB 3.49Å; N497-K501 VanDerWaalsContact O-CG 3.22Å; N497-K501 WeakPolarHBondContact O-CG 3.26Å; N497-K501 PolarHBondContact O-N 3.28Å
498A68.3Low55.3Low46 Ų4697.5 Ų97.538%0.3854%0.538SS..Hα-helixtrans-67.6-45.7173.200000111.1D494 D495 L500 K501 E502D494-A498 WeakPolarHBondContact O-CB 3.28Å; D494-A498 PolarHBondContact O-N 3.44Å; D495-A498 PolarHBondContact O-N 2.94Å; A498-L500 PolarHBondContact O-N 2.92Å; A498-K501 PolarHBondContact O-N 2.62Å; A498-E502 WeakPolarHBondContact O-CG 3.47Å; A498-E502 PolarHBondContact O-N 2.98Å
499L66.1Low55.8Low73 Ų7389 Ų8938%0.38252%0.523SS..Hα-helixtrans-60.8-41.7173.1-99.8160.4000112.4D495 R496 L503 I755D495-L499 WeakPolarHBondContact O-CB 3.24Å; D495-L499 PolarHBondContact O-N 3.41Å; R496-L499 PolarHBondContact O-N 2.98Å; L499-L503 VanDerWaalsContact O-CB 3.27Å; L499-L503 WeakPolarHBondContact O-CB 3.36Å; L499-L503 WeakPolarHBondContact O-CG 3.3Å; L499-L503 PolarHBondContact O-N 2.85Å; L499-I755 HydrophobicContact CD2-CG2 4.49Å
500L68.6Low56.6Low84 Ų8486.7 Ų86.744%0.4450%0.501SS..Hα-helixtrans-63.4-44.3172.2-9987.3000111.8R496 A498 L503 I504R496-L500 HydrophobicContact CG-CD1 4.05Å; R496-L500 VanDerWaalsContact O-CD1 3.29Å; R496-L500 WeakPolarHBondContact O-CD1 3.43Å; R496-L500 PolarHBondContact O-N 3.11Å; A498-L500 PolarHBondContact O-N 2.92Å; L500-L503 PolarHBondContact O-N 3.29Å; L500-I504 WeakPolarHBondContact O-CB 3.27Å; L500-I504 WeakPolarHBondContact O-CD1 3.17Å; L500-I504 WeakPolarHBondContact O-CG1 3.36Å; L500-I504 PolarHBondContact O-N 2.75Å
501K69.3Low57.4Low134 Ų13488.4 Ų88.458%0.58350%0.5SS*.Hα-helixtrans-61.6-43.6177.9-77.4167.2-178.1171.60111.9N497 A498 I504 K505N497-K501 WeakPolarHBondContact O-CB 3.49Å; N497-K501 VanDerWaalsContact O-CG 3.22Å; N497-K501 WeakPolarHBondContact O-CG 3.26Å; N497-K501 PolarHBondContact O-N 3.28Å; A498-K501 PolarHBondContact O-N 2.62Å; K501-I504 PolarHBondContact O-N 3.04Å; K501-K505 WeakPolarHBondContact O-CG 3.38Å; K501-K505 PolarHBondContact O-N 3.29Å
502E67Low58.3Low78 Ų7887.9 Ų87.936%0.36450%0.5SS..Hα-helixtrans-67.9-41.6175.2-66.8-64.4124.900111.8A498 I504 K505 I506A498-E502 WeakPolarHBondContact O-CG 3.47Å; A498-E502 PolarHBondContact O-N 2.98Å; E502-I504 VanDerWaalsContact C-N 3.27Å; E502-I504 PolarHBondContact O-N 2.73Å; E502-K505 PolarHBondContact O-N 2.97Å; E502-K505 WeakPolarHBondContact OE1-CE 3.5Å; E502-K505 IonicContact OE1-NZ 2.69Å; E502-K505 PolarHBondContact OE1-NZ 2.8Å; E502-I506 WeakPolarHBondContact O-CB 3.45Å; E502-I506 WeakPolarHBondContact O-CD1 3.4Å; E502-I506 VanDerWaalsContact O-CG1 3.24Å; E502-I506 WeakPolarHBondContact O-CG1 3.41Å; E502-I506 PolarHBondContact O-N 2.92Å
503L61.8Low58.5Low54 Ų5487.6 Ų87.628%0.28349%0.49SS..Hα-helixtrans-62-33.3172.8-82166.9000112.6L499 L500 S507 I755 M759L499-L503 VanDerWaalsContact O-CB 3.27Å; L499-L503 WeakPolarHBondContact O-CB 3.36Å; L499-L503 WeakPolarHBondContact O-CG 3.3Å; L499-L503 PolarHBondContact O-N 2.85Å; L500-L503 PolarHBondContact O-N 3.29Å; L503-S507 WeakPolarHBondContact O-CB 3.19Å; L503-S507 PolarHBondContact O-N 2.99Å; L503-I755 HydrophobicContact CD2-CG2 4.13Å; L503-M759 HydrophobicContact CD1-SD 4.27Å
504I70.8Confident58.3Low106 Ų10688.2 Ų88.254%0.54450%0.499SS..Hα-helixtrans-70.8-44.8174.4-72.5163.3000110.7L500 K501 E502 I506 S507 S508L500-I504 WeakPolarHBondContact O-CB 3.27Å; L500-I504 WeakPolarHBondContact O-CD1 3.17Å; L500-I504 WeakPolarHBondContact O-CG1 3.36Å; L500-I504 PolarHBondContact O-N 2.75Å; K501-I504 PolarHBondContact O-N 3.04Å; E502-I504 VanDerWaalsContact C-N 3.27Å; E502-I504 PolarHBondContact O-N 2.73Å; I504-I506 VanDerWaalsContact C-N 3.34Å; I504-I506 PolarHBondContact O-N 3.18Å; I504-S507 CarbonylContact O-C 3.59Å; I504-S507 WeakPolarHBondContact O-CA 3.5Å; I504-S507 VanDerWaalsContact O-CB 3.29Å; I504-S507 WeakPolarHBondContact O-CB 3.36Å; I504-S507 PolarHBondContact O-N 2.93Å; I504-S508 PolarHBondContact O-N 2.82Å; I504-S508 PolarHBondContact O-OG 2.86Å
505K64.6Low57.8Low85 Ų8586.8 Ų86.837%0.3750%0.501SS..Hα-helixtrans-58.5-44.1173.7-69.7171.8-172.8177.30112.4K501 E502 S507 S508K501-K505 WeakPolarHBondContact O-CG 3.38Å; K501-K505 PolarHBondContact O-N 3.29Å; E502-K505 PolarHBondContact O-N 2.97Å; E502-K505 WeakPolarHBondContact OE1-CE 3.5Å; E502-K505 IonicContact OE1-NZ 2.69Å; E502-K505 PolarHBondContact OE1-NZ 2.8Å; K505-S507 VanDerWaalsContact C-N 3.25Å; K505-S507 PolarHBondContact O-N 3.08Å; K505-S508 PolarHBondContact O-N 2.89Å; K505-S508 PolarHBondContact O-OG 2.86Å
506I62.6Low56.8Low85 Ų8588.8 Ų88.844%0.43651%0.507SS..Hα-helixtrans-66.5-30.9174.3-63.5164000110.4E502 I504 I755E502-I506 WeakPolarHBondContact O-CB 3.45Å; E502-I506 WeakPolarHBondContact O-CD1 3.4Å; E502-I506 VanDerWaalsContact O-CG1 3.24Å; E502-I506 WeakPolarHBondContact O-CG1 3.41Å; E502-I506 PolarHBondContact O-N 2.92Å; I504-I506 VanDerWaalsContact C-N 3.34Å; I504-I506 PolarHBondContact O-N 3.18Å; I506-I755 HydrophobicContact CD1-CD1 4.28Å
507S57.8Low55.9Low64 Ų6488.7 Ų88.745%0.44851%0.511SS..Hα-helixtrans-76.3-27.1175.8-160.10000114.5L503 I504 K505 G509 R691L503-S507 WeakPolarHBondContact O-CB 3.19Å; L503-S507 PolarHBondContact O-N 2.99Å; I504-S507 CarbonylContact O-C 3.59Å; I504-S507 WeakPolarHBondContact O-CA 3.5Å; I504-S507 VanDerWaalsContact O-CB 3.29Å; I504-S507 WeakPolarHBondContact O-CB 3.36Å; I504-S507 PolarHBondContact O-N 2.93Å; K505-S507 VanDerWaalsContact C-N 3.25Å; K505-S507 PolarHBondContact O-N 3.08Å; S507-G509 VanDerWaalsContact C-N 3.27Å; S507-R691 PolarHBondContact OG-NH1 2.89Å
508S53.3Low54.4Low83 Ų8396 Ų9658%0.5853%0.533SS*.THydrogen-bonded Turntrans-85.3-0.8179.158.70000113I504 K505 D510I504-S508 PolarHBondContact O-N 2.82Å; I504-S508 PolarHBondContact O-OG 2.86Å; K505-S508 PolarHBondContact O-N 2.89Å; K505-S508 PolarHBondContact O-OG 2.86Å; S508-D510 PolarHBondContact O-N 3.31Å
509G41.2Very low52.9Low62 Ų62102.6 Ų102.664%0.63956%0.556SS**THydrogen-bonded Turntrans67.617.8173.400000114.7S507 P511S507-G509 VanDerWaalsContact C-N 3.27Å; G509-P511 VanDerWaalsContact O-CD 3.26Å; G509-P511 WeakPolarHBondContact O-CD 3.3Å
510D45Very low51.2Low78 Ų78108.7 Ų108.742%0.41758%0.579SS.*  trans-79.5110.3-175.5-172.9-20.2000110.7S508 T512S508-D510 PolarHBondContact O-N 3.31Å; D510-T512 VanDerWaalsContact C-N 3.28Å; D510-T512 PolarHBondContact O-N 2.82Å; D510-T512 WeakPolarHBondContact OD1-CB 3.37Å; D510-T512 WeakPolarHBondContact OD1-CG2 3.42Å; D510-T512 PolarHBondContact OD1-N 3.11Å; D510-T512 PolarHBondContact OD1-OG1 3.33Å
511P50Low49.3Very low107 Ų107111.1 Ų111.170%0.69560%0.597SS**  trans-77.5-13.7-17533.9-36.2000113G509G509-P511 VanDerWaalsContact O-CD 3.26Å; G509-P511 WeakPolarHBondContact O-CD 3.3Å
512T52.1Low47.6Very low100 Ų100111.6 Ų111.661%0.61361%0.611SS**G310 helixtrans-73.5-44.8-165.664.40000112.5D510 A514D510-T512 VanDerWaalsContact C-N 3.28Å; D510-T512 PolarHBondContact O-N 2.82Å; D510-T512 WeakPolarHBondContact OD1-CB 3.37Å; D510-T512 WeakPolarHBondContact OD1-CG2 3.42Å; D510-T512 PolarHBondContact OD1-N 3.11Å; D510-T512 PolarHBondContact OD1-OG1 3.33Å; T512-A514 PolarHBondContact O-N 3.47Å; T512-A514 VanDerWaalsContact O-N 3.12Å
513S44.5Very low45.8Very low51 Ų51110.7 Ų110.736%0.35762%0.623SS.*G310 helixtrans-69.9-9.6-173.867.40000115.2
514A41.1Very low44.6Very low75 Ų75114.5 Ų114.562%0.6265%0.648SS**G310 helixtrans-81.4-18.3-177.700000114.4T512T512-A514 PolarHBondContact O-N 3.47Å; T512-A514 VanDerWaalsContact O-N 3.12Å
515A40.9Very low42.8Very low74 Ų74118.8 Ų118.861%0.61266%0.663SS**THydrogen-bonded Turntrans-86.1-36.7-176.900000113.3K517 R518A515-K517 VanDerWaalsContact C-N 3.32Å; A515-K517 PolarHBondContact O-N 3.35Å; A515-R518 PolarHBondContact O-N 3Å
516E40Very low41.1Very low164 Ų164123.7 Ų123.777%0.76669%0.687SS**G310 helixtrans-65.7-28.1-163.2-160.4173.7-154.400114.2R518E516-R518 VanDerWaalsContact C-N 3.28Å; E516-R518 PolarHBondContact O-N 3.42Å
517K42.2Very low39.4Very low181 Ų181125.7 Ų125.779%0.78771%0.708SS**G310 helixtrans-79.95.9-179.9-76.9-174.6176176.60115.4A515A515-K517 VanDerWaalsContact C-N 3.32Å; A515-K517 PolarHBondContact O-N 3.35Å
518R36.2Very low38.1Very low232 Ų232129.3 Ų129.388%0.87573%0.726SS**G310 helixtrans-98.7-1.5178.5-84.1-170.7160.7-159.9-7.2115.8A515 E516A515-R518 PolarHBondContact O-N 3Å; E516-R518 VanDerWaalsContact C-N 3.28Å; E516-R518 PolarHBondContact O-N 3.42Å
519Q35.3Very low36.9Very low185 Ų185130 Ų13086%0.86473%0.732SS**SBendtrans-102.524.2-170.3-140170.715.600115.1
520K30.5Very low36.3Very low200 Ų200133.2 Ų133.287%0.8774%0.739SS**SBendtrans-130.537.6-174.6-153.6178.7179.4177.20114.9
521V29Very low35.8Very low135 Ų135135.7 Ų135.782%0.81876%0.762SS**SBendtrans-140.4150.4164.9-174.40000107.7
522V34.9Very low34.9Very low145 Ų145140.7 Ų140.788%0.87977%0.773SS**  trans74.8133.6-165.6-170.70000112.5
523G29.1Very low34.1Very low59 Ų59142.3 Ų142.361%0.60879%0.788SS**  trans-128.1-150.7-174.900000113.2
524T36.3Very low33.5Very low133 Ų133143.1 Ų143.182%0.81681%0.805SS**  trans60.780.4174.341.50000117.6
525K32.1Very low33.4Very low197 Ų197145.3 Ų145.386%0.85781%0.813SS**  46.998125.1-59174.6-179.6178.60118.3
526Q30Very low33.1Very low187 Ų187148.7 Ų148.787%0.87483%0.826SS**  -151.1138123.2-143.9164.53.500111.4
527C25.6Very low32.7Very low128 Ų128145.8 Ų145.887%0.86582%0.824SS**  trans-128.9125.9174.3-64.10000108.4
528V30.4Very low32.5Very low139 Ų139143 Ų14384%0.84283%0.825SS**  trans-138.2137.8164.2-176.50000107.5
529S29.4Very low32.4Very low99 Ų99139.5 Ų139.569%0.69282%0.822SS**  trans-107.8137.2-164.553.70000113.7
530T28.5Very low32.2Very low128 Ų128135 Ų13579%0.78582%0.816SS**  trans21.7130.7143.758.90000120.3
531S33Very low32.4Very low131 Ų131137.7 Ų137.792%0.91682%0.821SS**  trans-147.3144.8136-81.70000110.1
532K31.2Very low32.4Very low211 Ų211142.9 Ų142.992%0.91783%0.826SS**  trans-120.7137.8-178.6-83-176.2173.2-179.20110.3
533S36.4Very low32.7Very low134 Ų134142.8 Ų142.894%0.93783%0.826SS**  trans-157154.5154.3530000111.9
534G31.5Very low32.8Very low69 Ų69147.4 Ų147.471%0.71184%0.837SS**  trans176.4-161178.500000106
535P39.6Very low32.8Very low121 Ų121146.6 Ų146.679%0.78684%0.836SS**  cis-124.1-171.1-18.841.7-27.5000111.1
536T34.5Very low32.6Very low145 Ų145141.5 Ų141.589%0.8983%0.831SS**  trans-168.4162.8150.33.10000112.6
537S31.2Very low32.9Very low103 Ų103137.1 Ų137.172%0.7282%0.821SS**  trans-157.4151.2179.5-46.80000112.6
538P38.3Very low33.3Very low123 Ų123138.9 Ų138.980%0.79982%0.816SS**  trans-120.3137.8149.635.3-24.6000110.4
539I33.1Very low33.3Very low158 Ų158139 Ų13981%0.8181%0.811SS**  cis81.392.344.4-61.1-176000114.4
540A31.8Very low33.6Very low91 Ų91140.3 Ų140.375%0.75281%0.814SS**  trans58132.9136.400000122.6
541R34.3Very low33.6Very low255 Ų255142.8 Ų142.896%0.96282%0.816SS**  -150.8145.6121.7-108.8167.6-168-153.61112
542R30.1Very low33.7Very low245 Ų245141.3 Ų141.393%0.92581%0.813SS**  trans-112.8143.6169.5-87.5174.1149-175.4-6.3108.1
543T39.5Very low33.7Very low142 Ų142137.2 Ų137.287%0.87181%0.805SS**  trans-141.5137.6153.940.20000109
544N32Very low33.6Very low157 Ų157138 Ų13884%0.8480%0.799SS**  trans-132.6123.8177179.16.7000107.1
545S37.1Very low33.9Very low116 Ų116144.3 Ų144.381%0.81181%0.807SS**  trans-143.691.6-173.1-64.30000110.3
546A27.9Very low33.6Very low90 Ų90141.5 Ų141.574%0.74480%0.8SS**  trans-88.8143.4168.700000111
547S36Very low33.7Very low94 Ų94142.3 Ų142.366%0.65780%0.798SS**  trans151.6148.7133.263.80000113.2
548Q32.7Very low34.1Very low166 Ų166144.9 Ų144.978%0.77680%0.802SS**  trans67.7153.2161.3-65.316585.500115.3
549I31.7Very low33.8Very low142 Ų142142.4 Ų142.473%0.72880%0.799SS**  cis-160.2150.2-2.2-117165.5000105.7
550V34.9Very low33.9Very low126 Ų126139 Ų13976%0.76480%0.802SS**  cis-161173.9-8.772.70000108.9
551H29.5Very low34Very low179 Ų179143.2 Ų143.283%0.82981%0.806SS**  trans-64.5139.8173.5-75.4-82.1000114.1
552A34.7Very low34.1Very low101 Ų101138.1 Ų138.184%0.83580%0.804SS**  trans-142130.9159.800000110.7
553T30.6Very low34.4Very low124 Ų124132.4 Ų132.476%0.76180%0.796SS**  trans-117.2127.9-174.553.90000112.8
554N34.6Very low34.5Very low150 Ų150130.4 Ų130.480%0.80279%0.794SS**  trans-153.6127.2154.2-88.3-39000107
555K38.5Very low35.1Very low202 Ų202130.9 Ų130.988%0.87879%0.792SS**  82.211154.1-76.7-171.3172.1-176.80113.7
556G32.4Very low35.3Very low62 Ų62132.8 Ų132.864%0.63979%0.792SS**  trans129.3114.5179.100000109.1
557L37.1Very low36Very low163 Ų163137.9 Ų137.985%0.85380%0.798SS**  58.6125.159-72.868.6000111.4
558I39.1Very low36.7Very low157 Ų157142.7 Ų142.781%0.80580%0.802SS**  cis-151.9154.12.2-106.5158.6000108
559G33.3Very low37.7Very low71 Ų71147.4 Ų147.473%0.73281%0.813SS**  cis137.684.9-3.600000114
560G33.9Very low38.7Very low86 Ų86144.9 Ų144.989%0.88781%0.808SS**  trans-111.9127.3-175.500000114.9
561Q35.4Very low39.5Very low179 Ų179144.2 Ų144.284%0.83680%0.8SS**  trans-99.3140.6-178.3-65.2178.6-10.200112.9
562T35.4Very low39.8Very low148 Ų148139.8 Ų139.891%0.90880%0.803SS**  -146.6134.9118.7310000108.8
563T36.4Very low40.2Very low125 Ų125137 Ų13777%0.76778%0.784SS**  trans-119111.1-174-47.40000110.2
564A41.2Very low40.8Very low100 Ų100143.2 Ų143.283%0.82679%0.793SS**  trans-100.4121.4168.300000109
565Q45Very low41.4Very low168 Ų168145 Ų14579%0.78579%0.794SS**  trans-72146.3-168.7-68.5174.9-75.300113.8F567Q565-F567 PolarHBondContact O-N 3.08Å
566N40.6Very low42Very low155 Ų155140.3 Ų140.383%0.82979%0.787SS**  trans-36.7113.5165.3-56.6-58.4000113.8R568N566-R568 PolarHBondContact O-N 2.82Å
567F43.5Very low42.4Very low198 Ų198146.6 Ų146.687%0.86880%0.802SS**  trans-76.2118.9165-79-89000110.1Q565Q565-F567 PolarHBondContact O-N 3.08Å
568R50.7Low42.7Very low194 Ų194149.5 Ų149.573%0.73280%0.801SS**  trans-94.3137.3172.2-75.5-174.3167-173.2-3.4110.5N566 S570 D571N566-R568 PolarHBondContact O-N 2.82Å; R568-S570 WeakPolarHBondContact CB-OG 3.49Å; R568-S570 PolarHBondContact O-N 3.32Å; R568-D571 PolarHBondContact O-N 3.02Å
569R54.2Low42.6Very low265 Ų265147.5 Ų147.5100%180%0.801SS**THydrogen-bonded Turntrans-62.5-1.2175.8-68.6-173.7175.3-1650.2114.6D571R569-D571 VanDerWaalsContact C-N 3.31Å
570S52.6Low42.9Very low90 Ų90153.1 Ų153.163%0.62981%0.806SS**THydrogen-bonded Turntrans-70.8-24.3171.547.90000113.6R568 G572R568-S570 WeakPolarHBondContact CB-OG 3.49Å; R568-S570 PolarHBondContact O-N 3.32Å; S570-G572 PolarHBondContact O-N 3.19Å
571D51.8Low43.1Very low112 Ų112155 Ų15560%0.59980%0.8SS**  trans-87.682.5-165.8-59.2-6.5000109.5R568 R569 G573R568-D571 PolarHBondContact O-N 3.02Å; R569-D571 VanDerWaalsContact C-N 3.31Å; D571-G573 PolarHBondContact O-N 3.02Å
572G35.5Very low43.3Very low86 Ų86152.3 Ų152.389%0.88780%0.796SS**  trans-66.535.6-176.800000116S570S570-G572 PolarHBondContact O-N 3.19Å
573G43.5Very low43.7Very low42 Ų42151.1 Ų151.143%0.43379%0.788SS.*  trans-85.3124.7-179.100000113.1D571 F575D571-G573 PolarHBondContact O-N 3.02Å; G573-F575 WeakPolarHBondContact O-CD2 3.38Å; G573-F575 PolarHBondContact O-N 2.86Å
574R43.1Very low43.8Very low255 Ų255150.6 Ų150.696%0.96279%0.789SS**  trans-70.793.7170-75.2174.8153.7-158.4-3.8111
575F46.2Very low43.6Very low187 Ų187151.9 Ų151.982%0.8279%0.789SS**  trans-91.2136.3173.5-70.6-74.1000112.8G573G573-F575 WeakPolarHBondContact O-CD2 3.38Å; G573-F575 PolarHBondContact O-N 2.86Å
576S50.8Low43.2Very low104 Ų104147.2 Ų147.273%0.72779%0.786SS**  trans-98.8121-172.9-171.40000111R578S576-R578 PolarHBondContact O-N 3.39Å
577M40.4Very low43.1Very low193 Ų193151.4 Ų151.495%0.95179%0.79SS**  trans-69.790.3172.6-68.5-162-62.900111.2
578R43.6Very low42.9Very low224 Ų224148 Ų14885%0.84579%0.786SS**  trans-135.278.9162.2-75.9-169.2170.7-147.5-0109.4S576S576-R578 PolarHBondContact O-N 3.39Å
579S37.3Very low42.4Very low115 Ų115145.7 Ų145.780%0.80479%0.793SS**  trans-61.6140165.956.70000109.6
580K40.2Very low41.5Very low190 Ų190136.6 Ų136.683%0.82678%0.782SS**  trans-98.3106.7173.8-70-180-179.5175.70108.3T582K580-T582 PolarHBondContact O-N 3.48Å
581V37.6Very low40.7Very low125 Ų125137.7 Ų137.776%0.75879%0.787SS**  trans-78.898.9166.4-178.40000107.9V583V581-V583 HydrophobicContact CG1-CG2 3.97Å
582T40.1Very low40.2Very low123 Ų123141 Ų14176%0.75580%0.803SS**  trans-83.8112.1170.141.40000109.8K580K580-T582 PolarHBondContact O-N 3.48Å
583V42.8Very low40.3Very low122 Ų122141.7 Ų141.774%0.73980%0.801SS**PPolyproline II helixtrans-98.7117.8175.5-1730000109.3V581V581-V583 HydrophobicContact CG1-CG2 3.97Å
584S38.3Very low40Very low114 Ų114149.6 Ų149.680%0.79782%0.823SS**PPolyproline II helixtrans-97.8121.2175.6-65.10000110.5
585P37.6Very low39.6Very low127 Ų127143.3 Ų143.383%0.82581%0.813SS**PPolyproline II helixtrans-98136.1-171.534.8-33.4000115.2
586G36.4Very low39Very low70 Ų70144.9 Ų144.972%0.72282%0.815SS**  trans109.7113.3139.500000119.3
587R38.9Very low38.2Very low243 Ų243144.2 Ų144.292%0.91782%0.816SS**  178.994.1122.4-95.9168.1-175.1-148.71.4110.9
588T39.1Very low38Very low127 Ų127142.9 Ų142.978%0.77981%0.813SS**  68.8115.895280000119.4
589V40.8Very low37.8Very low146 Ų146141.3 Ų141.389%0.88581%0.812SS**  trans74.8122.7151.9-169.90000119.8
590G34.6Very low37.7Very low73 Ų73139 Ų13975%0.75381%0.807SS**  trans160.391.5163.200000113.3
591P37.1Very low37.7Very low113 Ų113138.8 Ų138.873%0.73481%0.809SS**  trans-113.9124.4-169.236.1-25.9000115.3
592L39.3Very low38Very low181 Ų181141.3 Ų141.395%0.94881%0.813SS**  trans-176.5115.7135.5-128.370.8000112.9
593A38Very low38.3Very low102 Ų102140.4 Ų140.484%0.84381%0.807SS**  trans172.7144.4148.200000108.9
594K37.8Very low38.5Very low207 Ų207142.7 Ų142.790%0.980%0.802SS**  trans-112.7112.8178.3-66.6175-178.4173.10110.7
595T35.2Very low39.3Very low123 Ų123141.8 Ų141.876%0.75579%0.794SS**  trans-158.4136.9152.610.80000111A597T595-A597 PolarHBondContact O-N 2.84Å
596Y32.5Very low40.1Very low220 Ų220141.7 Ų141.786%0.86378%0.782SS**  trans24.187.2165.5-58.5-72.7000119N598Y596-N598 PolarHBondContact O-N 3.46Å
597A33.9Very low40.7Very low90 Ų90141.9 Ų141.974%0.74477%0.77SS**  trans-71.2108.8163.800000110.6T595 K599T595-A597 PolarHBondContact O-N 2.84Å; A597-K599 PolarHBondContact O-N 3.36Å
598N37Very low41.3Very low166 Ų166134 Ų13489%0.88875%0.745SS**  trans-67.9101.1176.9-163.2-11.9000110Y596 G600Y596-N598 PolarHBondContact O-N 3.46Å; N598-G600 PolarHBondContact O-N 2.91Å; N598-G600 VanDerWaalsContact O-N 3.08Å
599K39Very low41.9Very low190 Ų190130.1 Ų130.183%0.82673%0.726SS**  trans-81.388.2-173.7-78.1-171.5176.4-179.50111.4A597 Q601A597-K599 PolarHBondContact O-N 3.36Å; K599-Q601 PolarHBondContact O-N 3.46Å
600G35.6Very low42.3Very low68 Ų68131.5 Ų131.570%0.70172%0.715SS**  trans-50.4128.1163.200000110.7N598 E602N598-G600 PolarHBondContact O-N 2.91Å; N598-G600 VanDerWaalsContact O-N 3.08Å; G600-E602 PolarHBondContact O-N 2.98Å
601Q41Very low43Very low185 Ų185133.6 Ų133.686%0.86471%0.708SS**  trans-7598.2-168.4-1681769.500111K599 V603K599-Q601 PolarHBondContact O-N 3.46Å; Q601-V603 PolarHBondContact O-N 3.33Å; Q601-V603 VanDerWaalsContact O-N 3.08Å
602E42.9Very low43.8Very low178 Ų178136.6 Ų136.683%0.83271%0.705SS**  trans-58.6112.5177.6-171.9-179.5177.300110.5G600 R604G600-E602 PolarHBondContact O-N 2.98Å; E602-R604 PolarHBondContact O-N 3.44Å
603V47.1Very low44.2Very low104 Ų104136 Ų13663%0.6369%0.69SS**  trans-69.494.2-176.4-179.20000109.7Q601 L608Q601-V603 PolarHBondContact O-N 3.33Å; Q601-V603 VanDerWaalsContact O-N 3.08Å; V603-L608 HydrophobicContact CG1-CD1 4.49Å
604R46.1Very low44.7Very low169 Ų169140.4 Ų140.464%0.63869%0.69SS**  trans-48.7125.2-176-156.4174.9-176.8117.8-0.4110.9E602 E606 T607E602-R604 PolarHBondContact O-N 3.44Å; R604-E606 WeakPolarHBondContact CD-OE2 3.38Å; R604-E606 IonicContact CZ-OE2 3.71Å; R604-E606 IonicContact NE-OE2 2.75Å; R604-E606 PolarHBondContact NE-OE2 2.94Å; R604-E606 IonicContact NH2-OE2 3.79Å; R604-E606 PolarHBondContact O-N 3.01Å; R604-T607 PolarHBondContact O-N 3.24Å; R604-T607 PolarHBondContact O-OG1 3.32Å
605P54.9Low45.2Very low96 Ų96138.3 Ų138.362%0.62368%0.684SS**Hα-helixtrans-56.5-22-173.7-30.436.3000115.4L608 A609P605-L608 CarbonylContact O-C 3.57Å; P605-L608 PolarHBondContact O-N 3.12Å; P605-A609 PolarHBondContact O-N 2.94Å
606E54.4Low45.3Very low124 Ų124140.5 Ų140.558%0.57968%0.679SS**Hα-helixtrans-63-37.7177.2-61.5176.7101.600112.6R604 L608 A609 W610R604-E606 WeakPolarHBondContact CD-OE2 3.38Å; R604-E606 IonicContact CZ-OE2 3.71Å; R604-E606 IonicContact NE-OE2 2.75Å; R604-E606 PolarHBondContact NE-OE2 2.94Å; R604-E606 IonicContact NH2-OE2 3.79Å; R604-E606 PolarHBondContact O-N 3.01Å; E606-L608 VanDerWaalsContact C-N 3.34Å; E606-L608 PolarHBondContact O-N 3.21Å; E606-A609 CarbonylContact O-C 3.52Å; E606-A609 WeakPolarHBondContact O-CA 3.33Å; E606-A609 WeakPolarHBondContact O-CB 3.44Å; E606-A609 PolarHBondContact O-N 3.28Å; E606-W610 PolarHBondContact O-N 2.75Å
607T49.8Very low46Very low75 Ų75133.4 Ų133.446%0.4666%0.656SS.*Hα-helixtrans-66.8-38.2176.9-40.90000111R604 A609 W610 L611R604-T607 PolarHBondContact O-N 3.24Å; R604-T607 PolarHBondContact O-OG1 3.32Å; T607-A609 VanDerWaalsContact C-N 3.28Å; T607-A609 PolarHBondContact O-N 3.21Å; T607-W610 PolarHBondContact O-N 3.23Å; T607-L611 PolarHBondContact O-N 2.95Å
608L50.8Low46.6Very low78 Ų78132.7 Ų132.741%0.40864%0.644SS.*Hα-helixtrans-72.2-16.8171.6-93.9167.6000113.5V603 P605 E606 R612V603-L608 HydrophobicContact CG1-CD1 4.49Å; P605-L608 CarbonylContact O-C 3.57Å; P605-L608 PolarHBondContact O-N 3.12Å; E606-L608 VanDerWaalsContact C-N 3.34Å; E606-L608 PolarHBondContact O-N 3.21Å; L608-R612 WeakPolarHBondContact O-CD 3.27Å; L608-R612 VanDerWaalsContact O-CG 3.31Å; L608-R612 WeakPolarHBondContact O-CG 3.35Å; L608-R612 PolarHBondContact O-NH1 3.4Å
609A52.2Low46.9Very low44 Ų44131.8 Ų131.836%0.36464%0.638SS.*Hα-helixtrans-83.7-34.4168.900000111.6P605 E606 T607P605-A609 PolarHBondContact O-N 2.94Å; E606-A609 CarbonylContact O-C 3.52Å; E606-A609 WeakPolarHBondContact O-CA 3.33Å; E606-A609 WeakPolarHBondContact O-CB 3.44Å; E606-A609 PolarHBondContact O-N 3.28Å; T607-A609 VanDerWaalsContact C-N 3.28Å; T607-A609 PolarHBondContact O-N 3.21Å
610W50.3Low47.6Very low176 Ų176129.7 Ų129.767%0.66763%0.629SS**Hα-helixtrans-64.7-51.8174.9-171.885.6000111.6E606 T607 R612 R613E606-W610 PolarHBondContact O-N 2.75Å; T607-W610 PolarHBondContact O-N 3.23Å; W610-R612 PolarHBondContact O-N 3.41Å; W610-R612 VanDerWaalsContact O-N 3.11Å; W610-R613 WeakPolarHBondContact O-CB 3.3Å; W610-R613 PolarHBondContact O-N 3.27Å
611L48.4Very low48.2Very low116 Ų116129.3 Ų129.361%0.60762%0.616SS**THydrogen-bonded Turntrans-61.1-21178.8-75.2168.1000114.6T607 R613T607-L611 PolarHBondContact O-N 2.95Å; L611-R613 VanDerWaalsContact C-N 3.34Å
612R54.7Low48.3Very low177 Ų177124.9 Ų124.967%0.66861%0.611SS**THydrogen-bonded Turntrans-81.1-8.1175.5-73.2-179.9-174.4113.9-9.2113.7L608 W610 K614L608-R612 WeakPolarHBondContact O-CD 3.27Å; L608-R612 VanDerWaalsContact O-CG 3.31Å; L608-R612 WeakPolarHBondContact O-CG 3.35Å; L608-R612 PolarHBondContact O-NH1 3.4Å; W610-R612 PolarHBondContact O-N 3.41Å; W610-R612 VanDerWaalsContact O-N 3.11Å; R612-K614 PolarHBondContact O-N 3.35Å
613R47Very low48.2Very low167 Ų167119.1 Ų119.163%0.6360%0.6SS**  trans-79.756.5178.8-65.5176.6179.2146.11.7112.6W610 L611 E615 Y616W610-R613 WeakPolarHBondContact O-CB 3.3Å; W610-R613 PolarHBondContact O-N 3.27Å; L611-R613 VanDerWaalsContact C-N 3.34Å; R613-E615 PolarHBondContact O-N 3.06Å; R613-Y616 PolarHBondContact O-N 3.4Å
614K48.6Very low47.8Very low196 Ų196118 Ų11885%0.85260%0.601SS**THydrogen-bonded Turntrans-60.5-3.3173.9-86-77.3-174.9177.90114.8R612R612-K614 PolarHBondContact O-N 3.35Å
615E47.3Very low47.6Very low163 Ų163115.7 Ų115.776%0.76261%0.606SS**THydrogen-bonded Turntrans-117.319.8-176.7-57.7-161.8136.900114.6R613 N617R613-E615 PolarHBondContact O-N 3.06Å; E615-N617 PolarHBondContact O-N 2.97Å
616Y37.4Very low46.7Very low169 Ų169116.6 Ų116.666%0.66361%0.614SS**  trans-70.879.2175.2-166.5-97.6000112R613 P618R613-Y616 PolarHBondContact O-N 3.4Å; Y616-P618 HydrophobicContact CE1-CB 4.29Å; Y616-P618 WeakPolarHBondContact O-CD 3.41Å
617N48.6Very low46.1Very low70 Ų70117.1 Ų117.137%0.37463%0.626SS.*  trans-93.7107169.5-179.6-18.1000108.4E615 L619 K620E615-N617 PolarHBondContact O-N 2.97Å; N617-L619 PolarHBondContact O-N 3Å; N617-L619 VanDerWaalsContact O-N 3.09Å; N617-L619 VanDerWaalsContact OD1-CB 3.3Å; N617-L619 WeakPolarHBondContact OD1-CB 3.42Å; N617-L619 PolarHBondContact OD1-N 3.09Å; N617-K620 HydrophobicContact CB-CG 4.46Å; N617-K620 PolarHBondContact O-N 3.47Å
618P46.5Very low45.5Very low75 Ų75125.1 Ų125.149%0.48765%0.648SS.*Hα-helixtrans-61.5-21.6-176.123.8-33.4000113.6Y616 K620 S621 A622Y616-P618 HydrophobicContact CE1-CB 4.29Å; Y616-P618 WeakPolarHBondContact O-CD 3.41Å; P618-K620 VanDerWaalsContact C-N 3.27Å; P618-K620 PolarHBondContact O-N 3.45Å; P618-S621 PolarHBondContact O-N 2.85Å; P618-A622 PolarHBondContact O-N 3.49Å
619L42.8Very low44.7Very low147 Ų147124.5 Ų124.577%0.7766%0.661SS**Hα-helixtrans-70.4-21.1175.1-56.8173.7000113N617N617-L619 PolarHBondContact O-N 3Å; N617-L619 VanDerWaalsContact O-N 3.09Å; N617-L619 VanDerWaalsContact OD1-CB 3.3Å; N617-L619 WeakPolarHBondContact OD1-CB 3.42Å; N617-L619 PolarHBondContact OD1-N 3.09Å
620K52.9Low43.8Very low147 Ų147128.3 Ų128.364%0.63969%0.685SS**Hα-helixtrans-80.2-39.6168.3-70.8-174.8176.9178.90111.3N617 P618 G623N617-K620 HydrophobicContact CB-CG 4.46Å; N617-K620 PolarHBondContact O-N 3.47Å; P618-K620 VanDerWaalsContact C-N 3.27Å; P618-K620 PolarHBondContact O-N 3.45Å; K620-G623 PolarHBondContact O-N 2.97Å
621S49.2Very low43Very low59 Ų59126.7 Ų126.741%0.41369%0.694SS.*Hα-helixtrans-64.6-43.1-179.6-51.80000112.7P618 G623 A624P618-S621 PolarHBondContact O-N 2.85Å; S621-G623 PolarHBondContact O-N 3.14Å; S621-A624 PolarHBondContact O-N 3.46Å
622A43.6Very low42.2Very low92 Ų92126.5 Ų126.576%0.7670%0.703SS**THydrogen-bonded Turntrans-70.4-13.6-179.100000114.4P618P618-A622 PolarHBondContact O-N 3.49Å
623G40.5Very low41.3Very low58 Ų58123 Ų12360%0.59871%0.705SS**THydrogen-bonded Turntrans-86.2-9.7176.700000114.8K620 S621 T625K620-G623 PolarHBondContact O-N 2.97Å; S621-G623 PolarHBondContact O-N 3.14Å; G623-T625 PolarHBondContact O-N 3.24Å
624A37.1Very low40.7Very low79 Ų79121.7 Ų121.765%0.65371%0.711SS**  trans-90.177.8-171.900000112.5S621 S626S621-A624 PolarHBondContact O-N 3.46Å; A624-S626 PolarHBondContact O-N 2.95Å; A624-S626 VanDerWaalsContact O-N 3.07Å
625T41.9Very low40.1Very low122 Ų122117.6 Ų117.675%0.74870%0.702SS**  trans-64.7108171.544.30000111.1G623 T627G623-T625 PolarHBondContact O-N 3.24Å; T625-T627 PolarHBondContact O-N 3.01Å; T625-T627 VanDerWaalsContact O-N 3.08Å; T625-T627 PolarHBondContact O-OG1 2.59Å
626S37.4Very low39.6Very low114 Ų114118.8 Ų118.880%0.79771%0.705SS**  trans-56.8113.5179.4-176.70000111.6A624A624-S626 PolarHBondContact O-N 2.95Å; A624-S626 VanDerWaalsContact O-N 3.07Å
627T41.4Very low39.6Very low136 Ų136117.9 Ų117.983%0.83471%0.71SS**  trans-12252175.435.90000109.9T625 G629T625-T627 PolarHBondContact O-N 3.01Å; T625-T627 VanDerWaalsContact O-N 3.08Å; T625-T627 PolarHBondContact O-OG1 2.59Å; T627-G629 PolarHBondContact O-N 2.87Å
628R38Very low39.1Very low243 Ų243120.9 Ų120.992%0.91773%0.725SS**  trans-84.893178-167.1-177.2-171.6-152.52111.7
629G32.7Very low38.3Very low65 Ų65124.2 Ų124.267%0.6774%0.739SS**  trans91.5105.8152.800000117T627T627-G629 PolarHBondContact O-N 2.87Å
630S33.3Very low38.2Very low124 Ų124125.6 Ų125.687%0.86774%0.739SS**  -160.3143.9119.7-82.70000111.1
631T33.6Very low37.3Very low142 Ų142125.8 Ų125.887%0.87174%0.742SS**  trans-52.1135.9179.948.50000115.5
632S31.5Very low36.7Very low112 Ų112129.3 Ų129.378%0.78375%0.752SS**  -174.3131.3122.7-162.20000113.7
633S37Very low36.3Very low102 Ų102134.8 Ų134.871%0.71375%0.753SS**  trans18.7107.4147.1-50.50000122.6
634D34.5Very low36.2Very low140 Ų140137.9 Ų137.975%0.74976%0.762SS**  78.9148.5115.7-111.5-48000125.2
635T35.5Very low36.3Very low111 Ų111140.6 Ų140.668%0.68177%0.771SS**  trans60.1121171.257.30000117.3
636K36.9Very low35.9Very low187 Ų187146 Ų14681%0.81378%0.777SS**  54.8127.666.2-54.8173.7-179.2169.40110.7
637I37.6Very low35.9Very low150 Ų150151.6 Ų151.677%0.76978%0.783SS**  -163.5136.465.9-88.5-176.2000112.1
638L36.5Very low35.5Very low134 Ų134150 Ų15070%0.70278%0.777SS**  trans33.8121.8151.5-72.4153.3000123K640L638-K640 HydrophobicContact CD2-CG 4.43Å
639N30.4Very low35.6Very low144 Ų144146.6 Ų146.677%0.7777%0.771SS**  trans-77.5131.5147.4172.113.8000110.6
640K40.9Very low35.8Very low176 Ų176154.1 Ų154.177%0.76578%0.78SS**  trans-149.2102.8167.9-81.3-161.1174-175.10114.5L638L638-K640 HydrophobicContact CD2-CG 4.43Å
641H34.3Very low35.9Very low151 Ų151153.1 Ų153.170%0.69977%0.772SS**  trans17.4146.6135.3-92.8-117.1000123.8
642E36.8Very low36.1Very low133 Ų133150.9 Ų150.962%0.62176%0.763SS**  trans72.7149153.4-71.1171.9-124.800117.9
643R35.5Very low36.4Very low208 Ų208152.2 Ų152.279%0.78577%0.766SS**  cis-153.3153.28.4-143173.9-103.1-170.3-6.5110.3
644P37Very low36.7Very low122 Ų122152.7 Ų152.779%0.79277%0.767SS**  trans-97153178.136.4-34.3000114.4
645T40.2Very low36.9Very low137 Ų137152.4 Ų152.484%0.8477%0.766SS**  trans-140.5139.2171.9-37.70000110.9
646R32.7Very low36.9Very low234 Ų234156.1 Ų156.188%0.88377%0.767SS**  trans-95.4148.1174.8-61.5178.7-179.9176.8-0.6111.2
647Y37.8Very low36.9Very low232 Ų232156.2 Ų156.291%0.9176%0.762SS**  trans-146.5172.3144.1-106-76.4000110.5
648S33.2Very low37Very low103 Ų103155.6 Ų155.672%0.7276%0.76SS**  trans-119.9-161.2-158.4-166.10000113.3
649H38.8Very low36.8Very low171 Ų171155.6 Ų155.679%0.79276%0.76SS**  trans96.6150.8174.4-50.7-70.6000117.2
650R36.8Very low37Very low224 Ų224152.9 Ų152.985%0.84575%0.753SS**  -173.6154.2-62.6178.7177.6-166.3-128.47.5108.5
651S36.6Very low36.7Very low102 Ų102150.1 Ų150.171%0.71375%0.751SS**  trans71.9156.5169.96.60000116.2
652S37.1Very low36.5Very low96 Ų96148.9 Ų148.967%0.67175%0.754SS**  cis-162.6118.50.243.40000114.7
653T38.7Very low36.5Very low140 Ų140149.2 Ų149.286%0.85977%0.766SS**  60.4165.6129.857.90000121.6
654P44Very low36.2Very low112 Ų112145.2 Ų145.273%0.72776%0.764SS**  trans-126.8-176.5-139.345.7-36000117.2
655N38.2Very low36.2Very low134 Ų134147.2 Ų147.272%0.71776%0.76SS**  trans-165151.6150.6-114.9-52.2000115
656R35.8Very low35.9Very low188 Ų188148.5 Ų148.571%0.70976%0.757SS**  trans32.6144.4141.2-70.6167.5179.3-163.6-0121
657R35.3Very low35.8Very low189 Ų189141.6 Ų141.671%0.71376%0.758SS**  cis-166.7172.40-124.8167.3-175.2176.2-2.8111.4
658L40.1Very low35.3Very low138 Ų138135.5 Ų135.572%0.72376%0.756SS**  trans-24154.1151.4-76.273.7000115.5
659D32.4Very low35.5Very low133 Ų133140.5 Ų140.571%0.71177%0.765SS**  cis-166.5173.116.5-133.2-7.2000117.6
660S35.4Very low35.1Very low87 Ų87137.2 Ų137.261%0.60876%0.761SS**  trans77.8140139.4-78.50000125.7
661T33.3Very low35Very low118 Ų118133.3 Ų133.372%0.72476%0.761SS**  trans73.791.3147.841.80000122.9
662T30.9Very low34.8Very low126 Ų126133.6 Ų133.677%0.77376%0.759SS**  51.6112.5121.756.60000121
663T36Very low34.4Very low140 Ų140134.4 Ų134.486%0.85976%0.764SS**  trans-151.7144.8136.2-0.20000111.7
664T29.7Very low34Very low123 Ų123132.2 Ų132.276%0.75576%0.755SS**  trans-34.1136.6177.151.40000118.3
665K37.4Very low33.5Very low164 Ų164132.8 Ų132.871%0.71376%0.759SS**  -179.2145.3111.5-100.1171.2171.8-88.70114.3
666E32.8Very low33.2Very low165 Ų165131.9 Ų131.977%0.77176%0.763SS**  trans37.1134142.6-66150.6-141.300121.3
667G31.1Very low33Very low88 Ų88127.8 Ų127.891%0.90776%0.763SS**  trans167.61.7165.600000121.1
668A28.1Very low33Very low104 Ų104125.6 Ų125.686%0.8677%0.765SS**  trans-120.791.1-172.400000114.2
669K37.5Very low32.6Very low209 Ų209127.3 Ų127.391%0.90976%0.761SS**  trans-140.6148.7159.9-73.1-165.8176.4-179.10110.3
670S30.6Very low32.6Very low102 Ų102124.4 Ų124.471%0.71376%0.763SS**  trans-68.7145.5-169.544.90000113.9V672S670-V672 VanDerWaalsContact C-N 3.34Å; S670-V672 PolarHBondContact O-N 3.12Å
671V33.3Very low32.7Very low141 Ų141126.4 Ų126.486%0.85576%0.763SS**  trans-72.690.6166.2-178.90000108.5
672V33.4Very low32.9Very low108 Ų108125.3 Ų125.366%0.65576%0.756SS**  trans-93.5119.7164.71770000107.7S670 S674S670-V672 VanDerWaalsContact C-N 3.34Å; S670-V672 PolarHBondContact O-N 3.12Å; V672-S674 PolarHBondContact O-N 2.96Å
673S29.3Very low33.3Very low113 Ų113127 Ų12779%0.7975%0.753SS**  trans-75.372.1-179.7-56.40000111.8
674S30.3Very low33.9Very low95 Ų95123.4 Ų123.466%0.66473%0.731SS**PPolyproline II helixtrans-62.3137.9172.5-630000111.1V672V672-S674 PolarHBondContact O-N 2.96Å
675P32.6Very low34.6Very low124 Ų124125 Ų12581%0.80573%0.73SS**PPolyproline II helixtrans-65.8147.7-178.627.2-34.7000112.1S677P675-S677 PolarHBondContact O-N 2.98Å
676S32.8Very low35.1Very low115 Ų115123.1 Ų123.180%0.80473%0.726SS**PPolyproline II helixtrans-59.2128.1-179.949.40000112.2L678S676-L678 PolarHBondContact O-N 3.02Å
677S31.1Very low35.8Very low101 Ų101117.2 Ų117.271%0.70671%0.71SS**  trans-61.5114.4-172.9-174.70000113.3P675 R679P675-S677 PolarHBondContact O-N 2.98Å; S677-R679 VanDerWaalsContact C-N 3.28Å; S677-R679 PolarHBondContact O-N 2.78Å
678L34.1Very low37Very low144 Ų144114.6 Ų114.675%0.75468%0.678SS**  trans-74.178.8168.5-79.1167.4000110.4S676S676-L678 PolarHBondContact O-N 3.02Å
679R32.9Very low38.4Very low173 Ų173113.4 Ų113.465%0.65366%0.657SS**  trans-92.8101.5-176.6-152.5172.8-173.4174.42.3110.6S677S677-R679 VanDerWaalsContact C-N 3.28Å; S677-R679 PolarHBondContact O-N 2.78Å
680G31.3Very low39.6Very low73 Ų73110 Ų11075%0.75364%0.642SS**SBendtrans9516.7161.100000119.1V682G680-V682 PolarHBondContact O-N 3.34Å
681Q37.7Very low40.9Very low128 Ų128109.8 Ų109.860%0.59863%0.625SS**  trans-78.9112.2174.5-73.4-173.8-10.300112.3F683Q681-F683 HydrophobicContact CB-CD2 4.46Å; Q681-F683 HydrophobicContact CB-CE2 3.86Å; Q681-F683 HydrophobicContact CB-CZ 4.1Å; Q681-F683 WeakPolarHBondContact O-CD2 3.3Å; Q681-F683 PolarHBondContact O-N 2.91Å
682V38.7Very low42.3Very low96 Ų96104.6 Ų104.658%0.58259%0.593SS**  trans-84.3102.2172.5-179.50000109.7G680 V684 M763G680-V682 PolarHBondContact O-N 3.34Å; V682-V684 HydrophobicContact CG1-CG2 4.44Å; V682-V684 PolarHBondContact O-N 2.95Å; V682-M763 HydrophobicContact CG1-CE 3.72Å; V682-M763 HydrophobicContact CG1-SD 4.13Å
683F38.6Very low43.8Very low161 Ų161104.7 Ų104.771%0.70659%0.586SS**  trans-76.283.1177.2-67.3-85.9000111.7Q681 Q685Q681-F683 HydrophobicContact CB-CD2 4.46Å; Q681-F683 HydrophobicContact CB-CE2 3.86Å; Q681-F683 HydrophobicContact CB-CZ 4.1Å; Q681-F683 WeakPolarHBondContact O-CD2 3.3Å; Q681-F683 PolarHBondContact O-N 2.91Å; F683-Q685 PolarHBondContact O-N 3.48Å; F683-Q685 VanDerWaalsContact O-N 3.16Å
684V47.8Very low45.7Very low65 Ų65104.2 Ų104.239%0.39457%0.572SS.*  trans-63115.9162.2-179.30000107.8V682 L686V682-V684 HydrophobicContact CG1-CG2 4.44Å; V682-V684 PolarHBondContact O-N 2.95Å; V684-L686 PolarHBondContact O-N 3.24Å
685Q44.6Very low47.3Very low157 Ų157101.9 Ų101.973%0.73455%0.552SS**  trans-62.1102.3-173.3-167177.923.300110.4F683 G687 S688F683-Q685 PolarHBondContact O-N 3.48Å; F683-Q685 VanDerWaalsContact O-N 3.16Å; Q685-G687 PolarHBondContact O-N 3.46Å; Q685-S688 PolarHBondContact O-N 3.41Å; Q685-S688 PolarHBondContact O-OG 3.44Å
686L47.8Very low48.8Very low123 Ų12398.1 Ų98.164%0.64453%0.529SS*.Hα-helixtrans-50.9-25.2-166.3-69.7167000115.4V684 S688 L689 K690V684-L686 PolarHBondContact O-N 3.24Å; L686-S688 PolarHBondContact O-N 3.27Å; L686-L689 PolarHBondContact O-N 3.3Å; L686-K690 PolarHBondContact O-N 2.89Å
687G49.2Very low50.4Low41 Ų4196.4 Ų96.442%0.42351%0.514SS..Hα-helixtrans-66.7-12.5173.300000115.9Q685 R691Q685-G687 PolarHBondContact O-N 3.46Å; G687-R691 PolarHBondContact O-NE 3.12Å; G687-R691 PolarHBondContact O-NH2 2.97Å
688S54.5Low52Low34 Ų3495.4 Ų95.424%0.23850%0.5CS..Hα-helixtrans-86.2-45.7165.965.10000111.1Q685 L686 K690 R691 I692Q685-S688 PolarHBondContact O-N 3.41Å; Q685-S688 PolarHBondContact O-OG 3.44Å; L686-S688 PolarHBondContact O-N 3.27Å; S688-K690 PolarHBondContact O-N 3.38Å; S688-R691 CarbonylContact O-C 3.54Å; S688-R691 WeakPolarHBondContact O-CA 3.48Å; S688-R691 WeakPolarHBondContact O-CB 3.15Å; S688-R691 PolarHBondContact O-N 3.08Å; S688-R691 VanDerWaalsContact O-N 3.1Å; S688-I692 WeakPolarHBondContact O-CG1 3.3Å; S688-I692 PolarHBondContact O-N 3.19Å
689L58.7Low53.4Low79 Ų7990 Ų9041%0.41447%0.472SS..Hα-helixtrans-62.4-44.1179.7-171.866000112.1L686 R691 I692 Q693L686-L689 PolarHBondContact O-N 3.3Å; L689-R691 VanDerWaalsContact C-N 3.28Å; L689-R691 PolarHBondContact O-N 3.07Å; L689-I692 PolarHBondContact O-N 2.75Å; L689-Q693 WeakPolarHBondContact O-CG 3.29Å; L689-Q693 PolarHBondContact O-N 2.7Å
690K62Low54.7Low138 Ų13887.2 Ų87.260%0.647%0.468SS*.Hα-helixtrans-61.1-36.3173.6-176.7173.6179.3177.20112L686 S688 Q693 M694L686-K690 PolarHBondContact O-N 2.89Å; S688-K690 PolarHBondContact O-N 3.38Å; K690-Q693 PolarHBondContact O-N 3.26Å; K690-M694 HydrophobicContact CG-SD 4.09Å; K690-M694 WeakPolarHBondContact O-CB 3.37Å; K690-M694 WeakPolarHBondContact O-CG 3.46Å; K690-M694 PolarHBondContact O-N 3.41Å
691R58.5Low56.5Low96 Ų9688.1 Ų88.136%0.36246%0.458SS..Hα-helixtrans-68.8-41174.5-96-176.2-75.1-179.5-15.7112.4S507 G687 S688 L689 M694 L695S507-R691 PolarHBondContact OG-NH1 2.89Å; G687-R691 PolarHBondContact O-NE 3.12Å; G687-R691 PolarHBondContact O-NH2 2.97Å; S688-R691 CarbonylContact O-C 3.54Å; S688-R691 WeakPolarHBondContact O-CA 3.48Å; S688-R691 WeakPolarHBondContact O-CB 3.15Å; S688-R691 PolarHBondContact O-N 3.08Å; S688-R691 VanDerWaalsContact O-N 3.1Å; L689-R691 VanDerWaalsContact C-N 3.28Å; L689-R691 PolarHBondContact O-N 3.07Å; R691-M694 PolarHBondContact O-N 3.21Å; R691-L695 VanDerWaalsContact O-CB 3.3Å; R691-L695 WeakPolarHBondContact O-CB 3.38Å; R691-L695 WeakPolarHBondContact O-CD1 3.5Å; R691-L695 WeakPolarHBondContact O-CG 3.33Å; R691-L695 PolarHBondContact O-N 3.08Å
692I62.2Low57.7Low33 Ų3383 Ų8317%0.16944%0.437CS..Hα-helixtrans-60.7-47.3173.6-67.5164.1000109.7S688 L689 M694 L695 S696 T752 T756S688-I692 WeakPolarHBondContact O-CG1 3.3Å; S688-I692 PolarHBondContact O-N 3.19Å; L689-I692 PolarHBondContact O-N 2.75Å; I692-M694 PolarHBondContact O-N 2.88Å; I692-L695 PolarHBondContact O-N 2.99Å; I692-S696 WeakPolarHBondContact O-CB 3.47Å; I692-S696 PolarHBondContact O-N 2.9Å; I692-S696 PolarHBondContact O-OG 2.99Å; I692-S696 VanDerWaalsContact O-OG 3.08Å; I692-T752 HydrophobicContact CD1-CG2 4.37Å; I692-T752 HydrophobicContact CG1-CG2 3.75Å; I692-T756 HydrophobicContact CD1-CG2 4.15Å
693Q65.8Low58.4Low110 Ų11080.7 Ų80.751%0.51443%0.428SS..Hα-helixtrans-58.8-47.1176.7-72.9174.1-33.200112.7L689 K690 S696 V697L689-Q693 WeakPolarHBondContact O-CG 3.29Å; L689-Q693 PolarHBondContact O-N 2.7Å; K690-Q693 PolarHBondContact O-N 3.26Å; Q693-S696 PolarHBondContact O-N 3.21Å; Q693-V697 WeakPolarHBondContact O-CG2 3.36Å; Q693-V697 PolarHBondContact O-N 3.2Å
694M69.5Low59.3Low102 Ų10276.5 Ų76.550%0.50242%0.419SS..Hα-helixtrans-61-48.8175.2-74.9167.852.300111.8K690 R691 I692 S696 V697 D698K690-M694 HydrophobicContact CG-SD 4.09Å; K690-M694 WeakPolarHBondContact O-CB 3.37Å; K690-M694 WeakPolarHBondContact O-CG 3.46Å; K690-M694 PolarHBondContact O-N 3.41Å; R691-M694 PolarHBondContact O-N 3.21Å; I692-M694 PolarHBondContact O-N 2.88Å; M694-S696 VanDerWaalsContact C-N 3.28Å; M694-S696 PolarHBondContact O-N 3.01Å; M694-V697 PolarHBondContact O-N 3.06Å; M694-V697 VanDerWaalsContact O-N 3.11Å; M694-D698 VanDerWaalsContact O-CG 3.32Å; M694-D698 PolarHBondContact O-N 3.2Å
695L63.3Low59.8Low47 Ų4776 Ų7625%0.24642%0.418CS..Hα-helixtrans-62.8-33178.3-70.6167.6000112.5R691 I692 L699 I748 V749R691-L695 VanDerWaalsContact O-CB 3.3Å; R691-L695 WeakPolarHBondContact O-CB 3.38Å; R691-L695 WeakPolarHBondContact O-CD1 3.5Å; R691-L695 WeakPolarHBondContact O-CG 3.33Å; R691-L695 PolarHBondContact O-N 3.08Å; I692-L695 PolarHBondContact O-N 2.99Å; L695-L699 WeakPolarHBondContact O-CB 3.41Å; L695-L699 PolarHBondContact O-N 2.88Å; L695-I748 HydrophobicContact CD1-CG2 4.29Å; L695-I748 HydrophobicContact CD2-CG2 4.2Å; L695-V749 HydrophobicContact CB-CG2 3.85Å
696S63.2Low60.2Low45 Ų4569.5 Ų69.532%0.31539%0.388SS..Hα-helixtrans-67.9-41.8172.5-68.20000112I692 Q693 M694 L699 M700I692-S696 WeakPolarHBondContact O-CB 3.47Å; I692-S696 PolarHBondContact O-N 2.9Å; I692-S696 PolarHBondContact O-OG 2.99Å; I692-S696 VanDerWaalsContact O-OG 3.08Å; Q693-S696 PolarHBondContact O-N 3.21Å; M694-S696 VanDerWaalsContact C-N 3.28Å; M694-S696 PolarHBondContact O-N 3.01Å; S696-L699 PolarHBondContact O-N 2.86Å; S696-M700 WeakPolarHBondContact O-CG 2.99Å; S696-M700 PolarHBondContact O-N 3.35Å
697V68.1Low60.5Low79 Ų7971.4 Ų71.448%0.47939%0.391SS..Hα-helixtrans-65.1-49.4174.2172.90000110.5Q693 M694 L699 M700 T701Q693-V697 WeakPolarHBondContact O-CG2 3.36Å; Q693-V697 PolarHBondContact O-N 3.2Å; M694-V697 PolarHBondContact O-N 3.06Å; M694-V697 VanDerWaalsContact O-N 3.11Å; V697-L699 PolarHBondContact O-N 3.2Å; V697-M700 HydrophobicContact CG2-CE 4.15Å; V697-M700 PolarHBondContact O-N 3.31Å; V697-M700 VanDerWaalsContact O-N 3.12Å; V697-T701 PolarHBondContact O-N 3.02Å; V697-T701 PolarHBondContact O-OG1 3.37Å
698D64Low61Low79 Ų7972.8 Ų72.842%0.42239%0.387SS..Hα-helixtrans-55.4-39.8176-70.6-25.9000112M694 S702M694-D698 VanDerWaalsContact O-CG 3.32Å; M694-D698 PolarHBondContact O-N 3.2Å; D698-S702 VanDerWaalsContact O-CB 3.3Å; D698-S702 WeakPolarHBondContact O-CB 3.24Å; D698-S702 PolarHBondContact O-N 3.48Å; D698-S702 PolarHBondContact O-OG 3.16Å
699L63Low61.1Low30 Ų3076.7 Ų76.716%0.15740%0.4CS..Hα-helixtrans-67.4-46.9176.8-177.768.1000111.6L695 S696 V697 S702 A703 K745 L746 V749L695-L699 WeakPolarHBondContact O-CB 3.41Å; L695-L699 PolarHBondContact O-N 2.88Å; S696-L699 PolarHBondContact O-N 2.86Å; V697-L699 PolarHBondContact O-N 3.2Å; L699-S702 PolarHBondContact O-N 2.95Å; L699-A703 WeakPolarHBondContact O-CB 3.45Å; L699-A703 PolarHBondContact O-N 3.48Å; L699-K745 HydrophobicContact CD1-CB 3.95Å; L699-L746 HydrophobicContact CD1-CB 4.04Å; L699-L746 HydrophobicContact CD1-CD1 4.22Å; L699-L746 HydrophobicContact CD2-CD1 4.17Å; L699-V749 HydrophobicContact CD2-CB 4.45Å; L699-V749 HydrophobicContact CD2-CG1 4.46Å; L699-V749 HydrophobicContact CD2-CG2 4.14Å
700M60.6Low60.8Low116 Ų11678.2 Ų78.257%0.57141%0.407SS*.Hα-helixtrans-61.4-48176.6-72.4-176-59.600111.4S696 V697 S702 A703 S704S696-M700 WeakPolarHBondContact O-CG 2.99Å; S696-M700 PolarHBondContact O-N 3.35Å; V697-M700 HydrophobicContact CG2-CE 4.15Å; V697-M700 PolarHBondContact O-N 3.31Å; V697-M700 VanDerWaalsContact O-N 3.12Å; M700-S702 VanDerWaalsContact C-N 3.29Å; M700-S702 PolarHBondContact O-N 2.89Å; M700-A703 PolarHBondContact O-N 2.84Å; M700-A703 VanDerWaalsContact O-N 3.16Å; M700-S704 PolarHBondContact O-N 3.4Å; M700-S704 PolarHBondContact O-OG 2.66Å
701T68.5Low60.5Low91 Ų9177.9 Ų77.956%0.55840%0.402SS*.Hα-helixtrans-60.1-39176.6-570000111.9V697 S704 S705V697-T701 PolarHBondContact O-N 3.02Å; V697-T701 PolarHBondContact O-OG1 3.37Å; T701-S704 PolarHBondContact O-N 3.04Å; T701-S705 PolarHBondContact O-N 3.45Å
702S62.4Low60.4Low22 Ų2277.6 Ų77.615%0.15441%0.408CS..Hα-helixtrans-69.3-37.1176.2-53.20000112.5D698 L699 M700 L706 K745D698-S702 VanDerWaalsContact O-CB 3.3Å; D698-S702 WeakPolarHBondContact O-CB 3.24Å; D698-S702 PolarHBondContact O-N 3.48Å; D698-S702 PolarHBondContact O-OG 3.16Å; L699-S702 PolarHBondContact O-N 2.95Å; M700-S702 VanDerWaalsContact C-N 3.29Å; M700-S702 PolarHBondContact O-N 2.89Å; S702-L706 VanDerWaalsContact O-CB 3.31Å; S702-L706 WeakPolarHBondContact O-CB 3.28Å; S702-L706 PolarHBondContact O-N 3.24Å; S702-K745 VanDerWaalsContact OG-CD 3.3Å; S702-K745 WeakPolarHBondContact OG-CD 3.22Å; S702-K745 PolarHBondContact OG-NZ 2.82Å
703A54.7Low60Low46 Ų4682.7 Ų82.738%0.3844%0.436SS..Hα-helixtrans-68.7-38.1175.200000112L699 M700 L706 K707L699-A703 WeakPolarHBondContact O-CB 3.45Å; L699-A703 PolarHBondContact O-N 3.48Å; M700-A703 PolarHBondContact O-N 2.84Å; M700-A703 VanDerWaalsContact O-N 3.16Å; A703-L706 PolarHBondContact O-N 3.01Å; A703-K707 WeakPolarHBondContact O-CB 3.39Å; A703-K707 PolarHBondContact O-N 3.23Å
704S56.8Low59.1Low74 Ų7478.5 Ų78.552%0.51742%0.422SS..Hα-helixtrans-63.3-49.2172.7-64.50000111.8M700 T701 L706 K707 E708M700-S704 PolarHBondContact O-N 3.4Å; M700-S704 PolarHBondContact O-OG 2.66Å; T701-S704 PolarHBondContact O-N 3.04Å; S704-L706 VanDerWaalsContact C-N 3.29Å; S704-L706 PolarHBondContact O-N 2.73Å; S704-K707 WeakPolarHBondContact O-CB 3.32Å; S704-K707 PolarHBondContact O-N 2.92Å; S704-K707 VanDerWaalsContact O-N 3.08Å; S704-E708 WeakPolarHBondContact O-CB 3.37Å; S704-E708 PolarHBondContact O-N 3.26Å
705S58.5Low57.8Low54 Ų5477.9 Ų77.938%0.37843%0.433SS..Hα-helixtrans-64.8-31.4177.5-172.80000112.9T701 K709T701-S705 PolarHBondContact O-N 3.45Å; S705-K709 WeakPolarHBondContact O-CB 3.32Å; S705-K709 WeakPolarHBondContact O-CG 3.38Å; S705-K709 PolarHBondContact O-N 3.27Å; S705-K709 VanDerWaalsContact O-N 3.08Å
706L53.9Low56.4Low21 Ų2179.2 Ų79.211%0.1146%0.458CS..Hα-helixtrans-65.8-45.7169.1172.166.3000111.7S702 A703 S704 E708 K709 L710 P738 L739 V742S702-L706 VanDerWaalsContact O-CB 3.31Å; S702-L706 WeakPolarHBondContact O-CB 3.28Å; S702-L706 PolarHBondContact O-N 3.24Å; A703-L706 PolarHBondContact O-N 3.01Å; S704-L706 VanDerWaalsContact C-N 3.29Å; S704-L706 PolarHBondContact O-N 2.73Å; L706-E708 VanDerWaalsContact C-N 3.32Å; L706-E708 PolarHBondContact O-N 3.06Å; L706-K709 PolarHBondContact O-N 3.02Å; L706-L710 HydrophobicContact CD1-CD1 3.86Å; L706-L710 HydrophobicContact CD1-CG 4.09Å; L706-L710 HydrophobicContact CG-CD1 3.89Å; L706-L710 HydrophobicContact CG-CG 4.49Å; L706-L710 WeakPolarHBondContact O-CB 3.23Å; L706-L710 VanDerWaalsContact O-CG 3.28Å; L706-L710 WeakPolarHBondContact O-CG 3.31Å; L706-L710 PolarHBondContact O-N 2.84Å; L706-P738 HydrophobicContact CD1-CB 3.94Å; L706-P738 HydrophobicContact CD1-CG 3.69Å; L706-L739 HydrophobicContact CD2-CD1 3.93Å; L706-V742 HydrophobicContact CB-CG2 4.14Å; L706-V742 HydrophobicContact CD2-CB 4.17Å; L706-V742 HydrophobicContact CD2-CG1 4.2Å; L706-V742 HydrophobicContact CD2-CG2 3.89Å
707K54Low55.2Low162 Ų16285.5 Ų85.570%0.70448%0.482SS*.Hα-helixtrans-63.1-38.2178.5-178.9178.8178.4178.50112A703 S704 R711A703-K707 WeakPolarHBondContact O-CB 3.39Å; A703-K707 PolarHBondContact O-N 3.23Å; S704-K707 WeakPolarHBondContact O-CB 3.32Å; S704-K707 PolarHBondContact O-N 2.92Å; S704-K707 VanDerWaalsContact O-N 3.08Å; K707-R711 WeakPolarHBondContact O-CB 3.43Å; K707-R711 PolarHBondContact O-N 3.11Å
708E59.9Low53.9Low70 Ų7087.6 Ų87.633%0.32749%0.49SS..Hα-helixtrans-61.3-58.2173.5-164.1117-109.600110.5S704 L706 L710 R711 D712S704-E708 WeakPolarHBondContact O-CB 3.37Å; S704-E708 PolarHBondContact O-N 3.26Å; L706-E708 VanDerWaalsContact C-N 3.32Å; L706-E708 PolarHBondContact O-N 3.06Å; E708-L710 PolarHBondContact O-N 3.28Å; E708-L710 VanDerWaalsContact O-N 3.16Å; E708-R711 WeakPolarHBondContact O-CA 3.39Å; E708-R711 WeakPolarHBondContact O-CB 3.17Å; E708-R711 PolarHBondContact O-N 2.9Å; E708-R711 IonicContact OE1-CZ 2.86Å; E708-R711 IonicContact OE1-NH1 2.95Å; E708-R711 PolarHBondContact OE1-NH1 2.88Å; E708-R711 IonicContact OE1-NH2 3.29Å; E708-R711 PolarHBondContact OE1-NH2 3.19Å; E708-D712 WeakPolarHBondContact CG-OD2 3.4Å; E708-D712 PolarHBondContact O-N 3.09Å
709K55.1Low52.8Low117 Ų11792 Ų9251%0.50951%0.514SS..Hα-helixtrans-61-28.7178.9-70.6175.7178.4-178.70113.9S705 L706 N713S705-K709 WeakPolarHBondContact O-CB 3.32Å; S705-K709 WeakPolarHBondContact O-CG 3.38Å; S705-K709 PolarHBondContact O-N 3.27Å; S705-K709 VanDerWaalsContact O-N 3.08Å; L706-K709 PolarHBondContact O-N 3.02Å; K709-N713 VanDerWaalsContact O-CB 3.24Å; K709-N713 WeakPolarHBondContact O-CB 3.42Å; K709-N713 PolarHBondContact O-N 3.4Å
710L52.8Low51.5Low111 Ų11197.6 Ų97.658%0.58154%0.544SS*.Hα-helixtrans-75-30.6171.9-76.6171.2000113.3L706 E708 G714L706-L710 HydrophobicContact CD1-CD1 3.86Å; L706-L710 HydrophobicContact CD1-CG 4.09Å; L706-L710 HydrophobicContact CG-CD1 3.89Å; L706-L710 HydrophobicContact CG-CG 4.49Å; L706-L710 WeakPolarHBondContact O-CB 3.23Å; L706-L710 VanDerWaalsContact O-CG 3.28Å; L706-L710 WeakPolarHBondContact O-CG 3.31Å; L706-L710 PolarHBondContact O-N 2.84Å; E708-L710 PolarHBondContact O-N 3.28Å; E708-L710 VanDerWaalsContact O-N 3.16Å; L710-G714 WeakPolarHBondContact O-CA 3.45Å; L710-G714 PolarHBondContact O-N 2.88Å
711R56.2Low50.5Low130 Ų13099.3 Ų99.349%0.49156%0.555SS.*Hα-helixtrans-70.9-47.2172.1-177.2-164.767.5-142.5-7.4109.9K707 E708 G714 A715K707-R711 WeakPolarHBondContact O-CB 3.43Å; K707-R711 PolarHBondContact O-N 3.11Å; E708-R711 WeakPolarHBondContact O-CA 3.39Å; E708-R711 WeakPolarHBondContact O-CB 3.17Å; E708-R711 PolarHBondContact O-N 2.9Å; E708-R711 IonicContact OE1-CZ 2.86Å; E708-R711 IonicContact OE1-NH1 2.95Å; E708-R711 PolarHBondContact OE1-NH1 2.88Å; E708-R711 IonicContact OE1-NH2 3.29Å; E708-R711 PolarHBondContact OE1-NH2 3.19Å; R711-G714 PolarHBondContact O-N 3.41Å; R711-G714 VanDerWaalsContact O-N 3.12Å; R711-A715 VanDerWaalsContact O-CB 3.32Å; R711-A715 WeakPolarHBondContact O-CB 3.2Å; R711-A715 PolarHBondContact O-N 3.04Å
712D56.1Low48.9Very low91 Ų91101 Ų10149%0.48757%0.565SS.*Hα-helixtrans-75.1-35.6-171.1-54.2-26.3000111.8E708 G714E708-D712 WeakPolarHBondContact CG-OD2 3.4Å; E708-D712 PolarHBondContact O-N 3.09Å; D712-G714 VanDerWaalsContact C-N 3.33Å
713N53.7Low47.7Very low139 Ų139109.5 Ų109.574%0.74360%0.603SS**THydrogen-bonded Turntrans-79.6-11.2168.6-68.313.3000113.6K709K709-N713 VanDerWaalsContact O-CB 3.24Å; K709-N713 WeakPolarHBondContact O-CB 3.42Å; K709-N713 PolarHBondContact O-N 3.4Å
714G46.6Very low46.8Very low22 Ų22115 Ų11523%0.22763%0.625CS.*THydrogen-bonded Turntrans-105.5-20.4-169.800000115.4L710 R711 D712 G716L710-G714 WeakPolarHBondContact O-CA 3.45Å; L710-G714 PolarHBondContact O-N 2.88Å; R711-G714 PolarHBondContact O-N 3.41Å; R711-G714 VanDerWaalsContact O-N 3.12Å; D712-G714 VanDerWaalsContact C-N 3.33Å; G714-G716 VanDerWaalsContact C-N 3.29Å; G714-G716 PolarHBondContact O-N 3.25Å
715A42Very low45.7Very low89 Ų89115.4 Ų115.474%0.73664%0.642SS**THydrogen-bonded Turntrans-82.510.3-169.700000115.8R711R711-A715 VanDerWaalsContact O-CB 3.32Å; R711-A715 WeakPolarHBondContact O-CB 3.2Å; R711-A715 PolarHBondContact O-N 3.04Å
716G34.6Very low44.6Very low75 Ų75117.7 Ų117.777%0.77366%0.658SS**THydrogen-bonded Turntrans-140.41.9-17300000117.5G714G714-G716 VanDerWaalsContact C-N 3.29Å; G714-G716 PolarHBondContact O-N 3.25Å
717Q38.4Very low43.5Very low177 Ų177124.5 Ų124.583%0.82769%0.694SS**SBendtrans-153.821.6-173.1-146.9172.321.500115.6
718L40.2Very low42.5Very low123 Ų123120.5 Ų120.564%0.64469%0.691SS**SBendtrans-1193.2-172.1-100.7166.5000116
719D40.1Very low41.1Very low173 Ų173122.4 Ų122.493%0.92571%0.708SS**SBendtrans-90.6-1.2178.7-71.2-50.2000114.1
720D35.9Very low40.1Very low147 Ų147125.3 Ų125.379%0.78673%0.728SS**  trans-131.537.5-165.4-148.418.8000113.7
721L39.7Very low39Very low151 Ų151125.4 Ų125.479%0.79173%0.733SS**  trans-122.272.6171.6-84.1168.9000110.5
722T35.4Very low37.6Very low128 Ų128125.1 Ų125.179%0.78575%0.751SS**  trans-66161.1167.346.30000112.1D724T722-D724 PolarHBondContact O-N 3.31Å
723E37.3Very low36.5Very low200 Ų200125 Ų12594%0.93576%0.763SS**SBendtrans-56.8105.3-176.6-57-179136.300113.1
724D36.6Very low35.4Very low160 Ų160123.5 Ų123.586%0.85677%0.77SS**  trans-148.2134.2156.2-135.5-26.8000112.6T722 S726T722-D724 PolarHBondContact O-N 3.31Å; D724-S726 PolarHBondContact O-N 3.42Å; D724-S726 VanDerWaalsContact O-N 3.14Å
725G33.6Very low34.7Very low84 Ų84126.8 Ų126.887%0.86679%0.788SS**  trans-85.687.4-160.400000114.2
726S34.5Very low34.7Very low101 Ų101128.2 Ų128.271%0.70679%0.79SS**  trans-132.2131.1173.263.10000113.8D724 A728D724-S726 PolarHBondContact O-N 3.42Å; D724-S726 VanDerWaalsContact O-N 3.14Å; S726-A728 PolarHBondContact O-N 2.73Å
727D31.4Very low34.9Very low165 Ų165128.2 Ų128.288%0.88278%0.778SS**  trans-72.572.5175.8-78.9-63.9000111.4T729D727-T729 PolarHBondContact O-N 3.05Å; D727-T729 PolarHBondContact O-OG1 2.78Å
728A32.4Very low35.9Very low77 Ų77122.3 Ų122.364%0.63676%0.755SS**  trans-62.692.7176.600000110.8S726 L730S726-A728 PolarHBondContact O-N 2.73Å; A728-L730 PolarHBondContact O-N 3.24Å
729T29.7Very low36.4Very low111 Ų111121.2 Ų121.268%0.68175%0.749SS**  trans-68.391.1-177.9-65.30000110.3D727 T731D727-T729 PolarHBondContact O-N 3.05Å; D727-T729 PolarHBondContact O-OG1 2.78Å; T729-T731 HydrophobicContact CG2-CG2 3.75Å; T729-T731 PolarHBondContact O-N 3.08Å
730L35.7Very low37.4Very low177 Ų177115.5 Ų115.593%0.92772%0.722SS**  trans-73.263178.4-77.1169.3000112.4A728A728-L730 PolarHBondContact O-N 3.24Å
731T28.9Very low38.5Very low113 Ų113112.4 Ų112.469%0.69371%0.706SS**  trans-85.4128.7170.143.80000111.9T729T729-T731 HydrophobicContact CG2-CG2 3.75Å; T729-T731 PolarHBondContact O-N 3.08Å
732S27.2Very low39.5Very low124 Ų124106.2 Ų106.287%0.86767%0.674SS**  trans69.671.6156.7-170.80000118.3
733A31.7Very low40.9Very low89 Ų89104.6 Ų104.674%0.73666%0.66SS**  trans-131.1147.4143.800000109.6C735A733-C735 VanDerWaalsContact C-N 3.33Å; A733-C735 PolarHBondContact O-N 2.86Å
734A31.7Very low42.3Very low108 Ų108100 Ų10089%0.89364%0.637SS**  trans-82.763.4-163.800000114.5P736A734-P736 WeakPolarHBondContact O-CD 3.46Å
735C32Very low43.7Very low90 Ų9096.3 Ų96.361%0.60861%0.613SS**  trans-81118.5170.4-730000111.2A733 C737A733-C735 VanDerWaalsContact C-N 3.33Å; A733-C735 PolarHBondContact O-N 2.86Å; C735-C737 PolarHBondContact O-N 3.08Å; C735-C737 PolarHBondContact O-SG 3.35Å; C735-C737 VanDerWaalsContact O-SG 3.4Å
736P41.4Very low45.1Very low119 Ų11996.3 Ų96.377%0.77359%0.593SS**  trans-76.877.4172.331.9-34.1000109.6A734 P738A734-P736 WeakPolarHBondContact O-CD 3.46Å; P736-P738 WeakPolarHBondContact O-CD 3.46Å
737C40.2Very low46.7Very low76 Ų7694.1 Ų94.151%0.51458%0.575SS.*  trans-42.698.6-164.9-60.60000114.4C735 L739 S740C735-C737 PolarHBondContact O-N 3.08Å; C735-C737 PolarHBondContact O-SG 3.35Å; C735-C737 VanDerWaalsContact O-SG 3.4Å; C737-L739 PolarHBondContact O-N 2.98Å; C737-L739 VanDerWaalsContact O-N 3.16Å; C737-S740 VanDerWaalsContact O-CB 3.22Å; C737-S740 WeakPolarHBondContact O-CB 3.35Å; C737-S740 PolarHBondContact O-N 2.88Å
738P57.7Low48.6Very low53 Ų5390 Ų9034%0.34455%0.552SS.*Hα-helixtrans-65.4-26.9-174.424.4-32.7000112.1L706 P736 S740 D741 V742L706-P738 HydrophobicContact CD1-CB 3.94Å; L706-P738 HydrophobicContact CD1-CG 3.69Å; P736-P738 WeakPolarHBondContact O-CD 3.46Å; P738-S740 PolarHBondContact O-N 3.45Å; P738-D741 PolarHBondContact O-N 3.02Å; P738-V742 PolarHBondContact O-N 3.34Å
739L51.5Low50.1Low100 Ų10087.8 Ų87.852%0.52453%0.531SS..Hα-helixtrans-55-36.9170.6-158.879.1000112.4L706 C737 I743L706-L739 HydrophobicContact CD2-CD1 3.93Å; C737-L739 PolarHBondContact O-N 2.98Å; C737-L739 VanDerWaalsContact O-N 3.16Å; L739-I743 HydrophobicContact CD2-CD1 4.21Å; L739-I743 HydrophobicContact CG-CD1 3.96Å; L739-I743 WeakPolarHBondContact O-CB 3.46Å; L739-I743 WeakPolarHBondContact O-CD1 3.46Å; L739-I743 WeakPolarHBondContact O-CG1 3.46Å; L739-I743 PolarHBondContact O-N 3.3Å
740S61.2Low51.7Low52 Ų5285.2 Ų85.236%0.36451%0.513SS..Hα-helixtrans-64.5-42.9179.8-166.90000111.6C737 P738 I743 K744C737-S740 VanDerWaalsContact O-CB 3.22Å; C737-S740 WeakPolarHBondContact O-CB 3.35Å; C737-S740 PolarHBondContact O-N 2.88Å; P738-S740 PolarHBondContact O-N 3.45Å; S740-I743 PolarHBondContact O-N 2.61Å; S740-K744 WeakPolarHBondContact O-CE 3.47Å; S740-K744 VanDerWaalsContact O-CG 3.23Å; S740-K744 WeakPolarHBondContact O-CG 3.47Å; S740-K744 PolarHBondContact O-N 3.11Å; S740-K744 WeakPolarHBondContact OG-CE 3.4Å; S740-K744 PolarHBondContact OG-NZ 3.29Å
741D58.7Low53.4Low83 Ų8382.1 Ų82.144%0.44449%0.492SS..Hα-helixtrans-77.7-32.9-179.8-71.2-23.6000112.5P738 K744 K745P738-D741 PolarHBondContact O-N 3.02Å; D741-K744 PolarHBondContact O-N 3.25Å; D741-K744 WeakPolarHBondContact OD1-CD 3.36Å; D741-K744 WeakPolarHBondContact OD1-CE 3.31Å; D741-K744 IonicContact OD1-NZ 4Å; D741-K744 PolarHBondContact OD1-NZ 2.89Å; D741-K745 WeakPolarHBondContact O-CB 3.26Å; D741-K745 WeakPolarHBondContact O-CG 3.17Å; D741-K745 PolarHBondContact O-N 3.4Å
742V59.9Low55.3Low21 Ų2177.9 Ų77.913%0.12747%0.466CS..Hα-helixtrans-61.9-45.7168.3171.80000110.7L706 P738 K744 K745 L746L706-V742 HydrophobicContact CB-CG2 4.14Å; L706-V742 HydrophobicContact CD2-CB 4.17Å; L706-V742 HydrophobicContact CD2-CG1 4.2Å; L706-V742 HydrophobicContact CD2-CG2 3.89Å; P738-V742 PolarHBondContact O-N 3.34Å; V742-K744 PolarHBondContact O-N 2.75Å; V742-K745 PolarHBondContact O-N 2.88Å; V742-L746 VanDerWaalsContact O-CB 3.28Å; V742-L746 WeakPolarHBondContact O-CB 3.47Å; V742-L746 PolarHBondContact O-N 3.2Å
743I64.7Low57.2Low93 Ų9376.6 Ų76.648%0.47745%0.449SS..Hα-helixtrans-62-40.9175.6-71165000111.4L739 S740 T747L739-I743 HydrophobicContact CD2-CD1 4.21Å; L739-I743 HydrophobicContact CG-CD1 3.96Å; L739-I743 WeakPolarHBondContact O-CB 3.46Å; L739-I743 WeakPolarHBondContact O-CD1 3.46Å; L739-I743 WeakPolarHBondContact O-CG1 3.46Å; L739-I743 PolarHBondContact O-N 3.3Å; S740-I743 PolarHBondContact O-N 2.61Å; I743-T747 VanDerWaalsContact O-CB 3.29Å; I743-T747 WeakPolarHBondContact O-CB 3.18Å; I743-T747 PolarHBondContact O-N 3.32Å; I743-T747 PolarHBondContact O-OG1 3.48Å
744K68.5Low59.1Low105 Ų10577.1 Ų77.146%0.45744%0.435SS..Hα-helixtrans-61.1-49.7174.2-71.7164.6-146.6161.80111.4S740 D741 V742 T747 I748S740-K744 WeakPolarHBondContact O-CE 3.47Å; S740-K744 VanDerWaalsContact O-CG 3.23Å; S740-K744 WeakPolarHBondContact O-CG 3.47Å; S740-K744 PolarHBondContact O-N 3.11Å; S740-K744 WeakPolarHBondContact OG-CE 3.4Å; S740-K744 PolarHBondContact OG-NZ 3.29Å; D741-K744 PolarHBondContact O-N 3.25Å; D741-K744 WeakPolarHBondContact OD1-CD 3.36Å; D741-K744 WeakPolarHBondContact OD1-CE 3.31Å; D741-K744 IonicContact OD1-NZ 4Å; D741-K744 PolarHBondContact OD1-NZ 2.89Å; V742-K744 PolarHBondContact O-N 2.75Å; K744-T747 WeakPolarHBondContact O-CB 3.35Å; K744-T747 PolarHBondContact O-N 3.16Å; K744-I748 WeakPolarHBondContact O-CG1 3.47Å; K744-I748 PolarHBondContact O-N 3Å
745K65.2Low60.9Low81 Ų8173.8 Ų73.835%0.35240%0.401SS..Hα-helixtrans-61.8-44.8178.3-73-177.1-178.4-170.70111.8L699 S702 D741 V742 T747 I748 V749L699-K745 HydrophobicContact CD1-CB 3.95Å; S702-K745 VanDerWaalsContact OG-CD 3.3Å; S702-K745 WeakPolarHBondContact OG-CD 3.22Å; S702-K745 PolarHBondContact OG-NZ 2.82Å; D741-K745 WeakPolarHBondContact O-CB 3.26Å; D741-K745 WeakPolarHBondContact O-CG 3.17Å; D741-K745 PolarHBondContact O-N 3.4Å; V742-K745 PolarHBondContact O-N 2.88Å; K745-T747 VanDerWaalsContact C-N 3.32Å; K745-T747 PolarHBondContact O-N 3.1Å; K745-I748 WeakPolarHBondContact O-CB 3.47Å; K745-I748 PolarHBondContact O-N 3.45Å; K745-I748 VanDerWaalsContact O-N 3.12Å; K745-V749 WeakPolarHBondContact O-CG2 3.45Å; K745-V749 PolarHBondContact O-N 2.95Å
746L63.9Low62.5Low84 Ų8470.9 Ų70.944%0.4438%0.381SS..Hα-helixtrans-60.2-41.9175.9-164.4112.9000111.4L699 V742 I748 V749 D750L699-L746 HydrophobicContact CD1-CB 4.04Å; L699-L746 HydrophobicContact CD1-CD1 4.22Å; L699-L746 HydrophobicContact CD2-CD1 4.17Å; V742-L746 VanDerWaalsContact O-CB 3.28Å; V742-L746 WeakPolarHBondContact O-CB 3.47Å; V742-L746 PolarHBondContact O-N 3.2Å; L746-I748 VanDerWaalsContact C-N 3.33Å; L746-I748 PolarHBondContact O-N 3.05Å; L746-V749 PolarHBondContact O-N 3Å; L746-D750 WeakPolarHBondContact O-CB 3.42Å; L746-D750 PolarHBondContact O-N 2.89Å
747T66.7Low63.8Low55 Ų5569.9 Ų69.934%0.33737%0.365SS..Hα-helixtrans-65.2-33.5175.3-59.20000112.8I743 K744 K745 K751I743-T747 VanDerWaalsContact O-CB 3.29Å; I743-T747 WeakPolarHBondContact O-CB 3.18Å; I743-T747 PolarHBondContact O-N 3.32Å; I743-T747 PolarHBondContact O-OG1 3.48Å; K744-T747 WeakPolarHBondContact O-CB 3.35Å; K744-T747 PolarHBondContact O-N 3.16Å; K745-T747 VanDerWaalsContact C-N 3.32Å; K745-T747 PolarHBondContact O-N 3.1Å; T747-K751 HydrophobicContact CG2-CD 4.31Å; T747-K751 WeakPolarHBondContact O-CB 3.43Å; T747-K751 WeakPolarHBondContact O-CD 3.38Å; T747-K751 VanDerWaalsContact O-CG 3.24Å; T747-K751 WeakPolarHBondContact O-CG 3.35Å; T747-K751 PolarHBondContact O-N 3.48Å
748I71.7Confident65.2Low78 Ų7874.9 Ų74.940%0.437%0.373SS..Hα-helixtrans-69.7-46.9174.6-69.2162.2000109.9L695 K744 K745 L746 D750 K751 T752L695-I748 HydrophobicContact CD1-CG2 4.29Å; L695-I748 HydrophobicContact CD2-CG2 4.2Å; K744-I748 WeakPolarHBondContact O-CG1 3.47Å; K744-I748 PolarHBondContact O-N 3Å; K745-I748 WeakPolarHBondContact O-CB 3.47Å; K745-I748 PolarHBondContact O-N 3.45Å; K745-I748 VanDerWaalsContact O-N 3.12Å; L746-I748 VanDerWaalsContact C-N 3.33Å; L746-I748 PolarHBondContact O-N 3.05Å; I748-D750 PolarHBondContact O-N 3.16Å; I748-K751 PolarHBondContact O-N 3.04Å; I748-T752 PolarHBondContact O-N 2.88Å; I748-T752 PolarHBondContact O-OG1 3.04Å
749V64.8Low65.6Low31 Ų3176.3 Ų76.319%0.18838%0.377CS..Hα-helixtrans-58.1-48.4176.4170.90000111.5L695 L699 K745 L746 K751 T752 L753L695-V749 HydrophobicContact CB-CG2 3.85Å; L699-V749 HydrophobicContact CD2-CB 4.45Å; L699-V749 HydrophobicContact CD2-CG1 4.46Å; L699-V749 HydrophobicContact CD2-CG2 4.14Å; K745-V749 WeakPolarHBondContact O-CG2 3.45Å; K745-V749 PolarHBondContact O-N 2.95Å; L746-V749 PolarHBondContact O-N 3Å; V749-K751 PolarHBondContact O-N 3.44Å; V749-T752 PolarHBondContact O-N 2.89Å; V749-L753 WeakPolarHBondContact O-CB 3.49Å; V749-L753 PolarHBondContact O-N 3.3Å
750D62.6Low66.4Low57 Ų5774 Ų7431%0.30537%0.366SS..Hα-helixtrans-56.4-48176.8174.166.4000112.5L746 I748 L753 K754L746-D750 WeakPolarHBondContact O-CB 3.42Å; L746-D750 PolarHBondContact O-N 2.89Å; I748-D750 PolarHBondContact O-N 3.16Å; D750-L753 PolarHBondContact O-N 3.06Å; D750-K754 WeakPolarHBondContact O-CB 3.32Å; D750-K754 WeakPolarHBondContact O-CG 3.34Å; D750-K754 PolarHBondContact O-N 3.34Å; D750-K754 WeakPolarHBondContact OD1-CE 3.24Å; D750-K754 IonicContact OD1-NZ 3.14Å; D750-K754 PolarHBondContact OD1-NZ 3.06Å; D750-K754 IonicContact OD2-NZ 2.88Å; D750-K754 PolarHBondContact OD2-NZ 3.43Å
751K72Confident66.7Low113 Ų11374.6 Ų74.649%0.49137%0.366SS..Hα-helixtrans-61-46.7176.1-74.5170.1-179.2176.40111.7T747 I748 V749 L753 K754 I755T747-K751 HydrophobicContact CG2-CD 4.31Å; T747-K751 WeakPolarHBondContact O-CB 3.43Å; T747-K751 WeakPolarHBondContact O-CD 3.38Å; T747-K751 VanDerWaalsContact O-CG 3.24Å; T747-K751 WeakPolarHBondContact O-CG 3.35Å; T747-K751 PolarHBondContact O-N 3.48Å; I748-K751 PolarHBondContact O-N 3.04Å; V749-K751 PolarHBondContact O-N 3.44Å; K751-L753 VanDerWaalsContact C-N 3.34Å; K751-L753 PolarHBondContact O-N 3.27Å; K751-K754 PolarHBondContact O-N 3.46Å; K751-I755 VanDerWaalsContact O-CG1 3.28Å; K751-I755 WeakPolarHBondContact O-CG1 3.35Å; K751-I755 PolarHBondContact O-N 3.03Å
752T67.4Low67.1Low23 Ų2375.8 Ų75.814%0.14137%0.369CS..Hα-helixtrans-62.9-40.9179.5-58.40000111.5I692 I748 V749 T756I692-T752 HydrophobicContact CD1-CG2 4.37Å; I692-T752 HydrophobicContact CG1-CG2 3.75Å; I748-T752 PolarHBondContact O-N 2.88Å; I748-T752 PolarHBondContact O-OG1 3.04Å; V749-T752 PolarHBondContact O-N 2.89Å; T752-T756 WeakPolarHBondContact O-CB 3.29Å; T752-T756 PolarHBondContact O-N 2.9Å; T752-T756 PolarHBondContact O-OG1 2.93Å
753L68.2Low67.2Low98 Ų9878.3 Ų78.351%0.51338%0.38SS..Hα-helixtrans-65.4-45.9176.1-17365.2000111.4V749 D750 K751 I755 T756 H757V749-L753 WeakPolarHBondContact O-CB 3.49Å; V749-L753 PolarHBondContact O-N 3.3Å; D750-L753 PolarHBondContact O-N 3.06Å; K751-L753 VanDerWaalsContact C-N 3.34Å; K751-L753 PolarHBondContact O-N 3.27Å; L753-I755 PolarHBondContact O-N 2.85Å; L753-T756 PolarHBondContact O-N 3.24Å; L753-H757 WeakPolarHBondContact O-CB 3.44Å; L753-H757 PolarHBondContact O-N 3.21Å
754K70.2Confident67.1Low100 Ų10078 Ų7844%0.43538%0.378SS..Hα-helixtrans-62.8-38.3177.1-77.2168.9176.5158.70113.1D750 K751 R758D750-K754 WeakPolarHBondContact O-CB 3.32Å; D750-K754 WeakPolarHBondContact O-CG 3.34Å; D750-K754 PolarHBondContact O-N 3.34Å; D750-K754 WeakPolarHBondContact OD1-CE 3.24Å; D750-K754 IonicContact OD1-NZ 3.14Å; D750-K754 PolarHBondContact OD1-NZ 3.06Å; D750-K754 IonicContact OD2-NZ 2.88Å; D750-K754 PolarHBondContact OD2-NZ 3.43Å; K751-K754 PolarHBondContact O-N 3.46Å; K754-R758 WeakPolarHBondContact O-CG 3.48Å; K754-R758 PolarHBondContact O-N 2.85Å; K754-R758 VanDerWaalsContact O-N 3.11Å
755I71.5Confident67Low37 Ų3776.9 Ų76.919%0.1938%0.384CS..Hα-helixtrans-65.9-45.4173-67162.8000110.3L499 L503 I506 K751 L753 H757 R758 M759L499-I755 HydrophobicContact CD2-CG2 4.49Å; L503-I755 HydrophobicContact CD2-CG2 4.13Å; I506-I755 HydrophobicContact CD1-CD1 4.28Å; K751-I755 VanDerWaalsContact O-CG1 3.28Å; K751-I755 WeakPolarHBondContact O-CG1 3.35Å; K751-I755 PolarHBondContact O-N 3.03Å; L753-I755 PolarHBondContact O-N 2.85Å; I755-H757 PolarHBondContact O-N 3.44Å; I755-R758 WeakPolarHBondContact O-CB 3.28Å; I755-R758 PolarHBondContact O-N 2.66Å; I755-M759 HydrophobicContact CG2-SD 4.34Å; I755-M759 WeakPolarHBondContact O-CG 3.3Å; I755-M759 PolarHBondContact O-N 3.28Å
756T64.9Low66.4Low29 Ų2980 Ų8018%0.17840%0.4CS..Hα-helixtrans-62.5-43179.5-55.40000111.7I692 T752 L753 R758 M759 V760I692-T756 HydrophobicContact CD1-CG2 4.15Å; T752-T756 WeakPolarHBondContact O-CB 3.29Å; T752-T756 PolarHBondContact O-N 2.9Å; T752-T756 PolarHBondContact O-OG1 2.93Å; L753-T756 PolarHBondContact O-N 3.24Å; T756-R758 PolarHBondContact O-N 3.14Å; T756-M759 PolarHBondContact O-N 2.88Å; T756-V760 WeakPolarHBondContact O-CG2 3.45Å; T756-V760 PolarHBondContact O-N 3.07Å
757H68.4Low65.7Low98 Ų9879 Ų7945%0.45440%0.4SS..Hα-helixtrans-60.5-42.9174.3-179.3-132.5000112.2L753 I755 M759 V760 N761L753-H757 WeakPolarHBondContact O-CB 3.44Å; L753-H757 PolarHBondContact O-N 3.21Å; I755-H757 PolarHBondContact O-N 3.44Å; H757-M759 PolarHBondContact O-N 3.01Å; H757-V760 PolarHBondContact O-N 2.95Å; H757-N761 PolarHBondContact CD2-ND2 2.93Å; H757-N761 PolarHBondContact CE1-ND2 2.75Å; H757-N761 VanDerWaalsContact CE1-ND2 3.33Å; H757-N761 PolarHBondContact NE2-ND2 3.08Å; H757-N761 WeakPolarHBondContact O-CB 3.41Å; H757-N761 VanDerWaalsContact O-CG 3.26Å; H757-N761 PolarHBondContact O-N 3.4Å
758R69.5Low64.8Low181 Ų18183.7 Ų83.768%0.68342%0.416SS*.Hα-helixtrans-60.6-43.7173.4-74.6176.2-179.6-174.3-0.2112.3K754 I755 T756 N761 Q762K754-R758 WeakPolarHBondContact O-CG 3.48Å; K754-R758 PolarHBondContact O-N 2.85Å; K754-R758 VanDerWaalsContact O-N 3.11Å; I755-R758 WeakPolarHBondContact O-CB 3.28Å; I755-R758 PolarHBondContact O-N 2.66Å; T756-R758 PolarHBondContact O-N 3.14Å; R758-N761 PolarHBondContact O-N 2.95Å; R758-Q762 WeakPolarHBondContact O-CB 3.42Å; R758-Q762 WeakPolarHBondContact O-CG 3.36Å; R758-Q762 PolarHBondContact O-N 3.19Å
759M67.1Low63.2Low84 Ų8484 Ų8441%0.41443%0.425SS..Hα-helixtrans-63.7-44.1177.7-70.3179.968.700112.1L503 I755 T756 H757 Q762 M763L503-M759 HydrophobicContact CD1-SD 4.27Å; I755-M759 HydrophobicContact CG2-SD 4.34Å; I755-M759 WeakPolarHBondContact O-CG 3.3Å; I755-M759 PolarHBondContact O-N 3.28Å; T756-M759 PolarHBondContact O-N 2.88Å; H757-M759 PolarHBondContact O-N 3.01Å; M759-Q762 PolarHBondContact O-N 3.42Å; M759-M763 WeakPolarHBondContact O-CG 3.27Å; M759-M763 PolarHBondContact O-N 3Å
760V66.7Low61.9Low50 Ų5087.8 Ų87.830%0.30345%0.45SS..Hα-helixtrans-60.8-47.3175.8170.20000110.6T756 H757 Q762 M763 L764T756-V760 WeakPolarHBondContact O-CG2 3.45Å; T756-V760 PolarHBondContact O-N 3.07Å; H757-V760 PolarHBondContact O-N 2.95Å; V760-Q762 VanDerWaalsContact C-N 3.33Å; V760-Q762 PolarHBondContact O-N 3.41Å; V760-M763 HydrophobicContact CG2-CE 4.46Å; V760-M763 PolarHBondContact O-N 3.12Å; V760-L764 HydrophobicContact CG1-CD1 3.8Å; V760-L764 HydrophobicContact CG1-CG 4.38Å; V760-L764 WeakPolarHBondContact O-CG 3.32Å; V760-L764 PolarHBondContact O-N 2.87Å
761N68.1Low60.8Low65 Ų6592.6 Ų92.635%0.34847%0.474SS..Hα-helixtrans-67.5-32.4179.9-66.4-5000112.5H757 R758 S765H757-N761 PolarHBondContact CD2-ND2 2.93Å; H757-N761 PolarHBondContact CE1-ND2 2.75Å; H757-N761 VanDerWaalsContact CE1-ND2 3.33Å; H757-N761 PolarHBondContact NE2-ND2 3.08Å; H757-N761 WeakPolarHBondContact O-CB 3.41Å; H757-N761 VanDerWaalsContact O-CG 3.26Å; H757-N761 PolarHBondContact O-N 3.4Å; R758-N761 PolarHBondContact O-N 2.95Å; N761-S765 VanDerWaalsContact O-CB 3.26Å; N761-S765 WeakPolarHBondContact O-CB 3.46Å; N761-S765 PolarHBondContact O-N 3.48Å; N761-S765 PolarHBondContact O-OG 3.04Å
762Q66.8Low59.1Low109 Ų10994.1 Ų94.151%0.50949%0.493SS..Hα-helixtrans-65.2-44.2171.2-79.2178.4-22.200112R758 M759 V760 S765 Q766R758-Q762 WeakPolarHBondContact O-CB 3.42Å; R758-Q762 WeakPolarHBondContact O-CG 3.36Å; R758-Q762 PolarHBondContact O-N 3.19Å; M759-Q762 PolarHBondContact O-N 3.42Å; V760-Q762 VanDerWaalsContact C-N 3.33Å; V760-Q762 PolarHBondContact O-N 3.41Å; Q762-S765 PolarHBondContact O-N 3.19Å; Q762-Q766 WeakPolarHBondContact O-CG 3.23Å; Q762-Q766 PolarHBondContact O-N 3.31Å
763M61.9Low57.5Low74 Ų7495.8 Ų95.837%0.36551%0.514SS..Hα-helixtrans-63-45.1175.7-68.6-170.7-59.100112V682 M759 V760 S765 Q766 S767V682-M763 HydrophobicContact CG1-CE 3.72Å; V682-M763 HydrophobicContact CG1-SD 4.13Å; M759-M763 WeakPolarHBondContact O-CG 3.27Å; M759-M763 PolarHBondContact O-N 3Å; V760-M763 HydrophobicContact CG2-CE 4.46Å; V760-M763 PolarHBondContact O-N 3.12Å; M763-S765 VanDerWaalsContact C-N 3.29Å; M763-S765 PolarHBondContact O-N 2.82Å; M763-Q766 PolarHBondContact O-N 3.25Å; M763-S767 PolarHBondContact O-N 2.88Å; M763-S767 VanDerWaalsContact O-N 3.16Å
764L63.9Low55.7Low85 Ų8594.9 Ų94.945%0.44553%0.528SS..Hα-helixtrans-64.9-31.3176.4-67.8172.2000112.6V760 S767 V781V760-L764 HydrophobicContact CG1-CD1 3.8Å; V760-L764 HydrophobicContact CG1-CG 4.38Å; V760-L764 WeakPolarHBondContact O-CG 3.32Å; V760-L764 PolarHBondContact O-N 2.87Å; L764-S767 PolarHBondContact O-OG 2.84Å; L764-V781 HydrophobicContact CD2-CG1 4.4Å
765S65.1Low53.9Low82 Ų8293.4 Ų93.457%0.57354%0.542SS*.Hα-helixtrans-72.2-39.1173.7-60.20000111.8N761 Q762 M763 S767 K768N761-S765 VanDerWaalsContact O-CB 3.26Å; N761-S765 WeakPolarHBondContact O-CB 3.46Å; N761-S765 PolarHBondContact O-N 3.48Å; N761-S765 PolarHBondContact O-OG 3.04Å; Q762-S765 PolarHBondContact O-N 3.19Å; M763-S765 VanDerWaalsContact C-N 3.29Å; M763-S765 PolarHBondContact O-N 2.82Å; S765-S767 VanDerWaalsContact C-N 3.28Å; S765-S767 PolarHBondContact O-N 3.36Å; S765-K768 PolarHBondContact O-N 3.08Å
766Q53.9Low51.9Low147 Ų14795.5 Ų95.569%0.68757%0.573SS**Hα-helixtrans-66.1-27.8177-75.11771.400112.8Q762 M763 K768Q762-Q766 WeakPolarHBondContact O-CG 3.23Å; Q762-Q766 PolarHBondContact O-N 3.31Å; M763-Q766 PolarHBondContact O-N 3.25Å; Q766-K768 PolarHBondContact O-N 3.06Å; Q766-K768 VanDerWaalsContact O-N 3.15Å
767S48.7Very low50.6Low64 Ų64100 Ų10045%0.44860%0.595SS.*THydrogen-bonded Turntrans-70.50.4175.157.10000115.5M763 L764 S765M763-S767 PolarHBondContact O-N 2.88Å; M763-S767 VanDerWaalsContact O-N 3.16Å; L764-S767 PolarHBondContact O-OG 2.84Å; S765-S767 VanDerWaalsContact C-N 3.28Å; S765-S767 PolarHBondContact O-N 3.36Å
768K47.2Very low49Very low153 Ų153104.7 Ų104.767%0.66562%0.618SS**THydrogen-bonded Turntrans-94.69.2177.6-75.6-173.5173.3-179.70115.1S765 Q766 P770S765-K768 PolarHBondContact O-N 3.08Å; Q766-K768 PolarHBondContact O-N 3.06Å; Q766-K768 VanDerWaalsContact O-N 3.15Å; K768-P770 WeakPolarHBondContact O-CD 3.35Å
769S39.3Very low47.2Very low85 Ų85100.2 Ų100.259%0.59461%0.614SS**  trans-65.5119.5169.951.30000110.3I771S769-I771 PolarHBondContact O-N 3.43Å
770P37.5Very low45.6Very low110 Ų110102 Ų10271%0.71463%0.63SS**  trans-71.9115.5-177.928-33.1000109.9K768 V772K768-P770 WeakPolarHBondContact O-CD 3.35Å; P770-V772 VanDerWaalsContact C-N 3.26Å; P770-V772 HydrophobicContact CB-CG2 4.42Å; P770-V772 PolarHBondContact O-N 3.23Å
771I39.5Very low43.9Very low158 Ų158106.8 Ų106.881%0.8166%0.659SS**  trans-73.986.1169.7-57179000108S769 G773S769-I771 PolarHBondContact O-N 3.43Å; I771-G773 PolarHBondContact O-N 2.84Å
772V36.1Very low42.7Very low145 Ų145108.9 Ų108.988%0.87967%0.674SS**  trans-69.583.4171.1-1780000107.9P770P770-V772 VanDerWaalsContact C-N 3.26Å; P770-V772 HydrophobicContact CB-CG2 4.42Å; P770-V772 PolarHBondContact O-N 3.23Å
773G33Very low41.4Very low58 Ų58108.8 Ų108.860%0.59868%0.683SS**  trans-163.625.8-161.400000118.3I771I771-G773 PolarHBondContact O-N 2.84Å
774G30.9Very low40.3Very low78 Ų78110.8 Ų110.880%0.80470%0.701SS**  trans75.4146.3160.700000118.5
775G30.9Very low38.9Very low69 Ų69112.3 Ų112.371%0.71172%0.716SS**SBendtrans80.891.617000000114.8N777G775-N777 PolarHBondContact O-N 3.5Å
776G30.2Very low37.2Very low82 Ų82114.2 Ų114.285%0.84573%0.725SS**  trans-55.7121.4-175.200000114.4
777N37Very low36.1Very low122 Ų122112 Ų11265%0.65273%0.727SS**  trans-147.8115.4161.9-78.5-89.2000107.1G775 S779G775-N777 PolarHBondContact O-N 3.5Å; N777-S779 PolarHBondContact O-N 3.14Å
778E35.1Very low35.2Very low197 Ų197115.4 Ų115.492%0.92175%0.747SS**  trans-6996.3-177.9-64174.4120.200110.6T780E778-T780 PolarHBondContact O-N 3.05Å; E778-T780 VanDerWaalsContact O-N 3.09Å
779S31.8Very low34.3Very low88 Ų88112.5 Ų112.562%0.61575%0.754SS**  trans-83.781.3-179.9-167.20000110.6N777 V781N777-S779 PolarHBondContact O-N 3.14Å; S779-V781 PolarHBondContact O-N 2.78Å
780T34.4Very low33.9Very low121 Ų121114.8 Ų114.874%0.74277%0.767SS**  trans-64.1128169.5-32.60000109.9E778E778-T780 PolarHBondContact O-N 3.05Å; E778-T780 VanDerWaalsContact O-N 3.09Å
781V30.1Very low33.5Very low150 Ų150115.3 Ų115.391%0.90977%0.772SS**  trans-77.80170.6-176.40000109.8L764 S779L764-V781 HydrophobicContact CD2-CG1 4.4Å; S779-V781 PolarHBondContact O-N 2.78Å

Retrieved 781 of 781 residues in 775.8 ms (Link to these results)