A0A5F7ZX88_MACMU Loading...

Glucocorticoid induced 1

AlphaFold DB , UniProt , Accession A0A5F7ZX88, Species MACMU (Macaca mulatta, Rhesus macaque), Gene GLCCI1, Length 544 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
1M36.5Very low40.8Very low244 Ų244123 Ų123100%1.20281%0.813SS**  0154.20-69.8153.270.900108.1
2S37.7Very low40.9Very low116 Ų116121.7 Ų121.781%0.81181%0.807SS**  trans-67.4169170.9-30.10000111.2
3T41.8Very low41Very low138 Ų138127.4 Ų127.485%0.84782%0.816SS**  cis-115.9-154.9-5.447.70000108.7
4A42.6Very low41.6Very low78 Ų78127.7 Ų127.765%0.64582%0.815SS**  cis-153.3170.50.200000107.2
5S44.5Very low42.2Very low112 Ų112127.5 Ų127.578%0.78381%0.814SS**  cis78.2127.318.7-44.40000116.3
6S43.4Very low42Very low104 Ų104130.8 Ų130.873%0.72782%0.816SS**  cis-162157.9-12.9-80.50000111
7S44.4Very low42.6Very low107 Ų107130.2 Ų130.275%0.74881%0.814SS**  trans25.1133.8147.662.40000123.2
8S39.1Very low43.1Very low128 Ų128129.7 Ų129.790%0.89581%0.813SS**  trans-162.6159.8131.1-840000111.6
9S40.8Very low43.6Very low119 Ų119129.6 Ų129.683%0.83281%0.813SS**  trans-124.4155.2-162.5-51.70000114
10S40.1Very low43.4Very low108 Ų108133.1 Ų133.176%0.75582%0.819SS**  154159.2110.9-163.60000115.4
11S38Very low43.4Very low99 Ų99138.5 Ų138.569%0.69283%0.825SS**  trans82.290.8148.2-56.20000121.7
12S41.9Very low43.4Very low107 Ų107135 Ų13575%0.74881%0.808SS**  46.1111.5118.7-49.40000122.4
13Q41.4Very low43.6Very low196 Ų196141.2 Ų141.292%0.91681%0.813SS**  178.6158.2113.7-100.1172.686.200113.2
14T49.7Very low43.8Very low132 Ų132146 Ų14681%0.8182%0.815SS**  trans-120.3133.1179.450.50000112.9
15P50.3Low43.6Very low124 Ų124147.6 Ų147.681%0.80582%0.822SS**  trans-114.6161.7165.728.5-12.6000114
16H39.3Very low43.2Very low180 Ų180147.2 Ų147.283%0.83383%0.826SS**PPolyproline II helixtrans-92.8159-171.7-59.8-103.3000114.2
17P53.4Low43Very low121 Ų121147.1 Ų147.179%0.78683%0.831SS**PPolyproline II helixtrans-80.4153.5169.532.8-34.7000114.1
18P51.7Low42.5Very low122 Ų122145.9 Ų145.979%0.79284%0.835SS**PPolyproline II helixtrans-90.2173.3-171.736.5-38000116
19P51.6Low42.5Very low127 Ų127145.5 Ų145.583%0.82583%0.833SS**  trans-102.3179.4-156.640.1-38.2000117.7
20Q40.3Very low42.9Very low199 Ų199145.9 Ų145.993%0.9383%0.833SS**  trans-70162.6-179.7-66.3179.9-24.200114.9
21R41.9Very low43.6Very low247 Ų247147 Ų14793%0.93284%0.837SS**  trans-117.4124.5-176.5-166.8-176.5-165.8-1666.9112.9
22M37.1Very low43.5Very low172 Ų172146.7 Ų146.785%0.84784%0.841SS**  trans-77.3163.2176.9-62.8162.364.500113.8
23R42.8Very low43.1Very low246 Ų246148.6 Ų148.693%0.92885%0.847SS**  trans-123.9159.7151.7-64.9-168.489.1-153.77.8110.7
24R45Very low43.2Very low237 Ų237144.3 Ų144.389%0.89485%0.846SS**  trans-98.5178.5-168.3-61.9177.1-176.3-163.9-0.5111.6
25S38.3Very low42.5Very low112 Ų112143.2 Ų143.278%0.78385%0.85SS**  cis172.3128.9-36.7-74.50000107.3
26A37.2Very low42.1Very low105 Ų105142.6 Ų142.687%0.86886%0.856SS**  trans-176.5161.3161.500000110.7
27A39.1Very low41.8Very low101 Ų101137.8 Ų137.884%0.83585%0.854SS**  cis-171.5146.1-39.200000108.7
28G33.4Very low41Very low81 Ų81138.4 Ų138.484%0.83586%0.862SS**  trans111.3117.8160.800000117.5
29S38.3Very low40.1Very low121 Ų121136.2 Ų136.285%0.84686%0.861SS**  trans-136.1156.5160.5-56.30000108.3
30P50.2Low39.3Very low127 Ų127138.4 Ų138.483%0.82587%0.866SS**  trans-139.4152.7130.437.4-26.6000113.7
31P55.3Low38.9Very low130 Ų130132.6 Ų132.684%0.84486%0.859SS**  trans-107.2137.1177.537.3-29.9000114.2
32A35.3Very low38.7Very low94 Ų94126.1 Ų126.178%0.77786%0.859SS**  trans-171.2150169.400000109.8
33V34.7Very low38.6Very low146 Ų146121.5 Ų121.589%0.88586%0.856SS**  cis-151.8167-26.9-88.40000107.1
34A43.5Very low38.1Very low106 Ų106114 Ų11488%0.87685%0.854SS**  trans-100141.7176.900000113
35A34.4Very low37.7Very low110 Ų110106.1 Ų106.191%0.90985%0.847SS**  trans-148.8149169.700000110.1
36A42.4Very low37.6Very low111 Ų111107.4 Ų107.492%0.91785%0.85SS**  trans-118.2150.9179.600000111.2
37G31.1Very low37.7Very low78 Ų78108 Ų10880%0.80485%0.848SS**  trans-172.2132.3175.800000112.1
38S38.1Very low37.6Very low135 Ų135109.1 Ų109.194%0.94485%0.848SS**  trans-81.9151.4-177.1-55.10000112.9
39G31.7Very low38Very low76 Ų76109.9 Ų109.978%0.78485%0.847SS**  trans-164.1116.1170.500000112.4
40N35.8Very low38.2Very low172 Ų172110.3 Ų110.392%0.9285%0.846SS**  trans-70156.5-178.3-61.8-16000112.8
41G32.6Very low37.6Very low77 Ų77109.1 Ų109.179%0.79485%0.847SS**  trans161.413615100000116.8
42A36Very low36.9Very low112 Ų112108 Ų10893%0.92685%0.849SS**  trans-59.2160.916300000111.5
43G35.7Very low37Very low75 Ų75107.1 Ų107.177%0.77385%0.849SS**  cis146.41475.600000109.9
44G32.4Very low37.7Very low87 Ų87105.3 Ų105.390%0.89785%0.849SS**  trans88149.5-164.400000112
45G37.3Very low37.5Very low73 Ų73103.2 Ų103.275%0.75384%0.838SS**  cis153.166.70.600000111.9
46V35.8Very low38.3Very low139 Ų139109.4 Ų109.484%0.84284%0.838SS**  trans-138150.6179.1-76.50000112.6
47S39.3Very low38.7Very low117 Ų117112 Ų11282%0.81884%0.836SS**  trans-66.6140.9177.452.70000113.7
48C35.7Very low39.8Very low125 Ų125116.4 Ų116.485%0.84584%0.84SS**  trans-128.3133.1160.8-75.30000110.1
49A41.7Very low40.6Very low97 Ų97118.4 Ų118.480%0.80283%0.834SS**PPolyproline II helixtrans-88.9150173.600000111.2
50P43.3Very low41.6Very low129 Ų129120.7 Ų120.784%0.83884%0.835SS**PPolyproline II helixtrans-73.8144.2168.331.4-33.4000111.1
51A38.2Very low42.1Very low102 Ų102120.5 Ų120.584%0.84383%0.833SS**PPolyproline II helixtrans-74.7163.4-174.500000114G53A51-G53 PolarHBondContact O-N 2.79Å
52A40.8Very low43Very low108 Ų108127.5 Ų127.589%0.89384%0.835SS**  trans-69.8110.7-17600000113.4
53G36.3Very low43.5Very low74 Ų74126.3 Ų126.376%0.76383%0.825SS**  trans-83119.8163.400000111.1A51 G55A51-G53 PolarHBondContact O-N 2.79Å; G53-G55 PolarHBondContact O-N 2.94Å
54A49.1Very low44.4Very low108 Ų108128.6 Ų128.689%0.89382%0.824SS**  trans-76.657.9-174.600000114.2R56A54-R56 PolarHBondContact O-N 3.34Å
55G40.9Very low45.3Very low63 Ų63129.5 Ų129.565%0.64981%0.812SS**  trans-71.9119.4173.200000112G53 L57G53-G55 PolarHBondContact O-N 2.94Å; G55-L57 PolarHBondContact O-N 3.31Å
56R49.9Very low45.9Very low240 Ų240131.3 Ų131.391%0.90681%0.81SS**  trans-71.389177.2-72.8-179.8175-98.21.7111.3A54 L58A54-R56 PolarHBondContact O-N 3.34Å; R56-L58 PolarHBondContact O-N 3.25Å
57L52.3Low46.3Very low165 Ų165134.5 Ų134.586%0.86481%0.809SS**PPolyproline II helixtrans-58117.8169.4-67.5174000110.1G55 Q59G55-L57 PolarHBondContact O-N 3.31Å; L57-Q59 PolarHBondContact O-N 3.4Å
58L52.3Low47.1Very low171 Ų171137 Ų13790%0.89581%0.807SS**PPolyproline II helixtrans-70.4117.2175.4-66.9173.9000109.1R56R56-L58 PolarHBondContact O-N 3.25Å
59Q55.4Low47.6Very low176 Ų176139 Ų13982%0.82281%0.809SS**PPolyproline II helixtrans-68.7142.4177.6-68.4-166-10.800111.2L57 I61L57-Q59 PolarHBondContact O-N 3.4Å; Q59-I61 PolarHBondContact O-N 3.07Å
60P52.8Low47.8Very low124 Ų124142 Ų14281%0.80581%0.811SS**PPolyproline II helixtrans-64.4126.117726.7-33.8000110.4R62P60-R62 PolarHBondContact O-N 2.91Å
61I47.6Very low48Very low169 Ų169147.2 Ų147.287%0.86781%0.814SS**  trans-68.9101.5-178.8-60.7173000109.2Q59 A63Q59-I61 PolarHBondContact O-N 3.07Å; I61-A63 PolarHBondContact O-N 3.25Å; I61-A63 VanDerWaalsContact O-N 3.07Å
62R51.5Low47.9Very low224 Ų224146 Ų14685%0.84581%0.812SS**  trans-74.496.6176.1-164.4180-166.7-170.94.4109.6P60 T64P60-R62 PolarHBondContact O-N 2.91Å; R62-T64 PolarHBondContact O-N 3.29Å
63A44.7Very low47.8Very low87 Ų87146 Ų14672%0.71981%0.805SS**  trans-70.690.1177.800000111.6I61 V65I61-A63 PolarHBondContact O-N 3.25Å; I61-A63 VanDerWaalsContact O-N 3.07Å; A63-V65 PolarHBondContact O-N 3.05Å
64T56Low48.3Very low123 Ų123150.5 Ų150.576%0.75581%0.806SS**  trans-73.8103.916931.80000110.4R62 P66R62-T64 PolarHBondContact O-N 3.29Å; T64-P66 WeakPolarHBondContact O-CD 3.44Å
65V50.1Low47.8Very low106 Ų106154 Ų15464%0.64280%0.804SS**  trans-77.2119.9170.8-177.90000109.1A63 Y67A63-V65 PolarHBondContact O-N 3.05Å; V65-Y67 HydrophobicContact CB-CD2 4.43Å; V65-Y67 HydrophobicContact CG1-CD2 3.76Å; V65-Y67 HydrophobicContact CG1-CE2 3.85Å; V65-Y67 PolarHBondContact O-N 2.84Å
66P50.5Low47.6Very low110 Ų110156.1 Ų156.171%0.71481%0.808SS**  trans-81.382.6178.233.1-34000110.8T64 Q68T64-P66 WeakPolarHBondContact O-CD 3.44Å; P66-Q68 PolarHBondContact O-N 2.72Å
67Y44.5Very low47.2Very low207 Ų207150.9 Ų150.981%0.81281%0.805SS**  trans-68.4114.3167.8-96.1-87.8000110.3V65 L69V65-Y67 HydrophobicContact CB-CD2 4.43Å; V65-Y67 HydrophobicContact CG1-CD2 3.76Å; V65-Y67 HydrophobicContact CG1-CE2 3.85Å; V65-Y67 PolarHBondContact O-N 2.84Å; Y67-L69 PolarHBondContact O-N 3.3Å
68Q56.4Low46.5Very low168 Ų168149.8 Ų149.879%0.78581%0.806SS**  trans-89.498.9172.1-67.21773200108.8P66 L70P66-Q68 PolarHBondContact O-N 2.72Å; Q68-L70 PolarHBondContact O-N 3.14Å; Q68-L70 VanDerWaalsContact O-N 3.08Å
69L46Very low45.7Very low168 Ų168152.4 Ų152.488%0.8880%0.804SS**  trans-66.7104.1169.2-88161.8000109.2Y67 R71Y67-L69 PolarHBondContact O-N 3.3Å; L69-R71 PolarHBondContact O-N 2.8Å; L69-R71 VanDerWaalsContact O-N 3.07Å
70L46Very low45Very low160 Ų160149.2 Ų149.284%0.83880%0.798SS**  trans-65.1105.9170.1-12670.8000108.5Q68 G72Q68-L70 PolarHBondContact O-N 3.14Å; Q68-L70 VanDerWaalsContact O-N 3.08Å; L70-G72 PolarHBondContact O-N 3.45Å
71R46.7Very low44.5Very low238 Ų238149.2 Ų149.290%0.89880%0.798SS**  trans-64.1123.1168-69.8-168.3-174.4-167.34.3108.2L69 S73L69-R71 PolarHBondContact O-N 2.8Å; L69-R71 VanDerWaalsContact O-N 3.07Å; R71-S73 PolarHBondContact O-N 3.46Å
72G36.6Very low43.8Very low78 Ų78146 Ų14680%0.80480%0.797SS**  trans-66.5115.7171.800000111L70L70-G72 PolarHBondContact O-N 3.45Å
73S37.5Very low43.1Very low107 Ų107140.5 Ų140.575%0.74880%0.8SS**  trans-86.8106.4168.956.60000109.9R71 H75R71-S73 PolarHBondContact O-N 3.46Å; S73-H75 PolarHBondContact O-N 2.93Å
74Q47.7Very low42.4Very low168 Ų168141.4 Ų141.479%0.78581%0.807SS**  trans-70103.5176.8-75.1-78.31600111.6
75H38Very low41.3Very low183 Ų183140.5 Ų140.585%0.84781%0.812SS**  trans-142.9128.2159.8-74.2-59.4000111.3S73S73-H75 PolarHBondContact O-N 2.93Å
76S36.4Very low40.5Very low106 Ų106140.1 Ų140.174%0.74182%0.82SS**PPolyproline II helixtrans-87.9161.9-172.1-49.80000112.9
77P42.9Very low39.6Very low130 Ų130139.3 Ų139.384%0.84482%0.823SS**PPolyproline II helixtrans-84.5135.8-17232.8-34.8000113.8
78T36.8Very low39Very low142 Ų142134.7 Ų134.787%0.87182%0.821SS**PPolyproline II helixtrans-94.7121.4178-47.80000111.9
79R36Very low38.1Very low226 Ų226135 Ų13585%0.85383%0.827SS**PPolyproline II helixtrans-93.6140.8170.1169.4-176.2144-168.6-7.1109.9
80P41Very low37.4Very low109 Ų109130.3 Ų130.371%0.70882%0.818SS**PPolyproline II helixtrans-79147.3179.131.8-35.9000113.2
81P42.5Very low36.9Very low124 Ų124128.9 Ų128.981%0.80582%0.822SS**PPolyproline II helixtrans-97.8162.1156.136.5-30.1000111.9
82A31.9Very low36.4Very low103 Ų103125.5 Ų125.585%0.85182%0.821SS**  trans-89.2176.5174.600000112.2
83A36Very low37Very low108 Ų108127.8 Ų127.889%0.89382%0.822SS**  trans-67.3154.3-173.600000114.8
84A31.2Very low36.7Very low105 Ų105126.2 Ų126.287%0.86882%0.822SS**  trans-124.2156.8162.600000109.1
85A32.9Very low36.8Very low105 Ų105124.8 Ų124.887%0.86883%0.827SS**  trans-110.8154.9-163.500000114.7
86A32.6Very low36.4Very low98 Ų98119.8 Ų119.881%0.8183%0.826SS**  trans-139.4116.2150.900000106.3
87A32Very low36.2Very low93 Ų93119.5 Ų119.577%0.76983%0.83SS**  cis93.9105.745.500000112.8
88S32.8Very low35.9Very low110 Ų110118 Ų11877%0.76983%0.828SS**  trans-167.9130.4149.9-840000111.4
89L35.6Very low35.8Very low175 Ų175123.4 Ų123.492%0.91683%0.832SS**  trans41.4126.8138.4-49.5172000119.3
90G32.9Very low35.5Very low68 Ų68115.8 Ų115.870%0.70183%0.825SS**  cis164.8176.2-2.500000113
91S33.9Very low35.9Very low131 Ų131117 Ų11792%0.91683%0.832SS**  trans72.5153.9170-64.10000120.2
92L37Very low35.5Very low166 Ų166116.3 Ų116.387%0.86983%0.831SS**  trans-119-170.9-176-67.6168000108.7
93P48.8Very low36.4Very low127 Ų127117.1 Ų117.183%0.82583%0.827SS**  -127.7-178.5-55.936.4-21.7000111.9
94G31.6Very low36.4Very low73 Ų73117.8 Ų117.875%0.75383%0.825SS**  trans131.6165.8148.900000117.6
95P49.4Very low36.5Very low138 Ų138117.6 Ų117.690%0.89682%0.817SS**  trans-118.2161.6-164.340.7-29.1000115.2
96G30Very low37.3Very low79 Ų79118.3 Ų118.381%0.81481%0.813SS**  trans167.4111.4164.400000118.4
97A33.3Very low37.9Very low100 Ų100119.5 Ų119.583%0.82681%0.811SS**  trans18123.1148.300000123.4
98A35.4Very low38.8Very low98 Ų98120.2 Ų120.281%0.8181%0.808SS**  59.9121.3123.900000123.2
99R34.8Very low39.8Very low255 Ų255120.4 Ų120.496%0.96281%0.806SS**  -164147.3129.5-115173.6174.2-163.3-3.7113.1
100G30.5Very low40.5Very low67 Ų67117.6 Ų117.669%0.69180%0.798SS**  trans-89.2-173.4164.800000112.1
101P48.6Very low40.4Very low133 Ų133118.8 Ų118.886%0.86480%0.802SS**  -145.1176.168.640-22.9000117
102S34.4Very low40.3Very low111 Ų111117.5 Ų117.578%0.77680%0.799SS**  trans-90.9168.5169.1-43.50000112
103P51.2Low40.1Very low120 Ų120114.1 Ų114.178%0.77980%0.795SS**  -132.5-173.980.88.417000112.8
104S35.4Very low39.9Very low122 Ų122113.7 Ų113.785%0.85379%0.792SS**  cis-162.1-175.3-12.6-105.20000110
105S33.3Very low39.9Very low100 Ų100114.7 Ų114.770%0.69979%0.793SS**  trans-120.8177.517758.40000113.5
106P50.8Low38.9Very low120 Ų120115.5 Ų115.578%0.77979%0.785SS**  -145132.494.131.8-12.7000116.3
107T44.2Very low39Very low123 Ų123119.7 Ų119.776%0.75578%0.784SS**  96.7168.577.65.60000115.3
108P51.1Low38.8Very low109 Ų109119.2 Ų119.271%0.70878%0.78SS**  trans-131.9-138.4-130.143.5-19.3000113.2
109P53.8Low39.5Very low114 Ų114119.8 Ų119.874%0.7478%0.775SS**  cis-130.9-136.6-17.431.2-4000113.7
110P49.6Very low39.4Very low115 Ų115119 Ų11975%0.74777%0.772SS**  -130-177.9-85.639-21.4000117.2
111A31.1Very low39.5Very low94 Ų94119.6 Ų119.678%0.77777%0.771SS**  121.6139126.300000121.9
112A31.9Very low38.8Very low103 Ų103123.6 Ų123.685%0.85177%0.774SS**  trans70.6128.3144.700000123.5
113A33.2Very low38.7Very low95 Ų95122.3 Ų122.379%0.78578%0.779SS**  trans-120.9160.1143.300000107.1
114P44.1Very low38.3Very low119 Ų119126.7 Ų126.777%0.77378%0.78SS**  -156.5-175.185.841.5-22.1000116
115A32.5Very low38.7Very low94 Ų94126.8 Ų126.878%0.77778%0.778SS**  trans66.8157.3154.300000118.4
116E28.2Very low39Very low155 Ų155131.4 Ų131.472%0.72478%0.78SS**  cis-155.8-177.6-19.2-141.1-151.4155.700110.3
117Q30.6Very low38.2Very low167 Ų167137.6 Ų137.678%0.7879%0.787SS**  trans71.8139.1153.7-75.2167.246.400122.7
118A31.1Very low37.8Very low90 Ų90136.5 Ų136.574%0.74479%0.785SS**  trans-139.9-174.9153.700000105.9
119P48.9Very low37.7Very low109 Ų109137.7 Ų137.771%0.70879%0.792SS**  cis-133.2-157-7.231.1-6.4000112.4
120R33.7Very low36.6Very low239 Ų239139.1 Ų139.190%0.90279%0.789SS**  trans80154.3163.4-62.2-178.5176.6-141.70.5117.7
121A31.5Very low35.7Very low80 Ų80138.5 Ų138.566%0.66179%0.788SS**  cis-167.7150-24.500000113.8
122K34.1Very low35.8Very low216 Ų216140.5 Ų140.594%0.93978%0.781SS**  trans49.9119147.2-66.2179.2-179.2-179.60121.1
123G31.6Very low35.8Very low85 Ų85143.7 Ų143.788%0.87677%0.771SS**  trans-137.1152.3152.600000111.3
124R43.1Very low35.7Very low212 Ų212148.1 Ų148.180%0.877%0.767SS**  trans-120.4172.1-177.8-129.2-159.6172.8-1536.1109.2
125P44.1Very low35.3Very low124 Ų124148.7 Ų148.781%0.80577%0.774SS**  cis-141.2-178.846.937.8-16000117.1
126R39Very low35.2Very low197 Ų197148.6 Ų148.674%0.74377%0.768SS**  trans-102.4143.9171.8-126.5-167-176.3-168.11.1109.4
127R35.1Very low35.6Very low249 Ų249146 Ų14694%0.9477%0.767SS**  trans-148.4152.6141.6-82.1-155.3175.8-157.4-0.4110.2
128S34.5Very low36.3Very low100 Ų100143.5 Ų143.570%0.69977%0.765SS**  trans-111.6174.1167.2-540000108.6
129P49Very low36.5Very low134 Ų134146.8 Ų146.887%0.8777%0.765SS**  -139.6177.190.637.4-22.7000115.8
130E31.5Very low35.9Very low144 Ų144152.2 Ų152.267%0.67377%0.771SS**  trans-88143.8-175.6163.673.8-143.100112.7H132E130-H132 PolarHBondContact OE1-N 3.07Å; E130-H132 IonicContact OE1-ND1 2.8Å; E130-H132 PolarHBondContact OE1-ND1 3.17Å
131S31.4Very low35.9Very low103 Ų103151.6 Ų151.672%0.7277%0.769SS**  trans-16792.2148.448.10000115
132H32.5Very low36Very low135 Ų135153.3 Ų153.363%0.62578%0.776SS**  60.9151.3125.9-59.30.8000122.1E130E130-H132 PolarHBondContact OE1-N 3.07Å; E130-H132 IonicContact OE1-ND1 2.8Å; E130-H132 PolarHBondContact OE1-ND1 3.17Å
133R33Very low36.4Very low171 Ų171149 Ų14965%0.64577%0.77SS**  cis-167.5145.5-24.8-107.5-170.6-165.1-958.2107.4
134R31.2Very low36.4Very low188 Ų188148.6 Ų148.671%0.70977%0.766SS**  trans49.1113.3156.1-70.9-172.4-87.9-116.86.2119
135S34.6Very low36.1Very low130 Ų130143 Ų14391%0.90976%0.759SS**  -96.1142.6124.852.40000108.4
136S31.6Very low36Very low93 Ų93143.2 Ų143.265%0.6576%0.761SS**  trans-136.4141.7-174.251.60000111.7
137S35.7Very low35.7Very low101 Ų101138.6 Ų138.671%0.70675%0.754SS**  trans-64.6152.1166.9-172.10000111.2
138P45.9Very low36Very low114 Ų114132.8 Ų132.874%0.7475%0.751SS**  trans-135.4132.5134.635-23.2000113.1
139E35.1Very low36Very low159 Ų159138.4 Ų138.474%0.74376%0.756SS**  trans-68.3156.4165.7-51.696.495.700112.8
140R36.6Very low35.8Very low223 Ų223137.2 Ų137.284%0.84276%0.758SS**  trans-171.7126.9131.6-106162.8-161.9-73.1-3.5114.2
141R32.4Very low35.8Very low226 Ų226137.1 Ų137.185%0.85376%0.762SS**  trans64.5143.3164.4-65.4178.6168.5174.8-5.1114.9
142S33.5Very low36.6Very low116 Ų116143.1 Ų143.181%0.81177%0.769SS**  cis-138.7155.932.5-65.40000114.7
143P43.9Very low36.6Very low125 Ų125141.1 Ų141.181%0.81278%0.776SS**  trans-96.2169.9170.639.5-34.3000112.2
144G30.9Very low36.7Very low77 Ų77142 Ų14279%0.79478%0.784SS**  trans124.8134.9152.300000116.1
145S36.2Very low37Very low94 Ų94138.8 Ų138.866%0.65779%0.79SS**  trans-67.6159.417146.20000113V147S145-V147 VanDerWaalsContact C-N 3.29Å; S145-V147 PolarHBondContact O-N 3.27Å
146P43.3Very low36.9Very low129 Ų129140.7 Ų140.784%0.83879%0.785SS**  trans-68.191.315830.6-32.8000109C148P146-C148 PolarHBondContact O-N 3.32Å
147V32Very low37.1Very low99 Ų99143.4 Ų143.460%0.679%0.787SS**  trans-57.5133.5164168.80000108.5S145 R149S145-V147 VanDerWaalsContact C-N 3.29Å; S145-V147 PolarHBondContact O-N 3.27Å; V147-R149 VanDerWaalsContact C-N 3.27Å; V147-R149 PolarHBondContact O-N 2.83Å
148C40.7Very low37.1Very low128 Ų128143.8 Ų143.887%0.86579%0.785SS**  trans-62.986.6171.8-60.20000110.5P146 A150P146-C148 PolarHBondContact O-N 3.32Å; C148-A150 PolarHBondContact O-N 2.93Å
149R34.6Very low37Very low218 Ų218147.5 Ų147.582%0.82378%0.784SS**  trans-74.1112.7164.6-73.6-67.4-179.4-172.3-1.1107.7V147 D151V147-R149 VanDerWaalsContact C-N 3.27Å; V147-R149 PolarHBondContact O-N 2.83Å; R149-D151 PolarHBondContact O-N 2.77Å
150A45.5Very low37.2Very low109 Ų109145 Ų14590%0.90178%0.78SS**  trans-69.369.7163.200000109.1C148C148-A150 PolarHBondContact O-N 2.93Å
151D31.6Very low37.5Very low142 Ų142138.7 Ų138.776%0.75977%0.77SS**  trans-76.3142.7166.2-150.5-38.7000108.8R149 A153R149-D151 PolarHBondContact O-N 2.77Å; D151-A153 VanDerWaalsContact C-N 3.25Å; D151-A153 PolarHBondContact O-N 2.97Å
152R49Very low38.4Very low229 Ų229131.9 Ų131.986%0.86476%0.757SS**  trans-82.376.5-168.3-168.6179-173.5172.12.3109.1K154R152-K154 VanDerWaalsContact C-N 3.33Å; R152-K154 PolarHBondContact O-N 2.89Å
153A30.8Very low39.5Very low93 Ų93130 Ų13077%0.76974%0.741SS**  trans-51.797.6172.700000109.6D151 S155D151-A153 VanDerWaalsContact C-N 3.25Å; D151-A153 PolarHBondContact O-N 2.97Å; A153-S155 PolarHBondContact O-N 3.3Å
154K35.1Very low40.2Very low190 Ų190127.4 Ų127.483%0.82672%0.72SS**  trans-50.2131.2166-71.1175.2177.7174.90105.9R152 Q156R152-K154 VanDerWaalsContact C-N 3.33Å; R152-K154 PolarHBondContact O-N 2.89Å; K154-Q156 PolarHBondContact O-N 3.13Å
155S38.1Very low41.5Very low119 Ų119133.3 Ų133.383%0.83272%0.718SS**  trans-68.375.3175.444.70000109.2A153 Q157A153-S155 PolarHBondContact O-N 3.3Å; S155-Q157 PolarHBondContact O-N 3.25Å
156Q32.2Very low42.4Very low171 Ų171140.9 Ų140.980%0.79973%0.732SS**  trans-67.580167.3-176.5166.6-34.200106.1K154 V158K154-Q156 PolarHBondContact O-N 3.13Å; Q156-V158 VanDerWaalsContact C-N 3.26Å; Q156-V158 PolarHBondContact O-N 3.38Å
157Q36.6Very low42.9Very low150 Ų150141.3 Ų141.370%0.70173%0.732SS**  trans-56.295.6173.2-179.9-176.59.200106.1S155 R159S155-Q157 PolarHBondContact O-N 3.25Å; Q157-R159 PolarHBondContact O-N 3.08Å
158V35.3Very low44.2Very low109 Ų109139.3 Ų139.366%0.66172%0.723SS**  trans-64.193.2173.9-177.60000105.2Q156 T160Q156-V158 VanDerWaalsContact C-N 3.26Å; Q156-V158 PolarHBondContact O-N 3.38Å; V158-T160 HydrophobicContact CG1-CG2 3.95Å; V158-T160 PolarHBondContact O-N 3.16Å
159R43.5Very low45.5Very low191 Ų191136.3 Ų136.372%0.72170%0.704SS**  trans-74.383-176.7-166.2176-172.599.4-3.1106.3Q157 S161Q157-R159 PolarHBondContact O-N 3.08Å; R159-S161 PolarHBondContact O-N 2.85Å
160T38.6Very low47.1Very low107 Ų107132.1 Ų132.166%0.65670%0.697SS**  trans-68.174.2-178.945.10000109.8V158 S162V158-T160 HydrophobicContact CG1-CG2 3.95Å; V158-T160 PolarHBondContact O-N 3.16Å; T160-S162 PolarHBondContact O-N 3.36Å; T160-S162 PolarHBondContact O-OG 3.06Å
161S44.6Very low48.3Very low91 Ų91132.7 Ų132.764%0.63669%0.685SS**  trans-65.965.2165.6-61.30000109.3R159 T163R159-S161 PolarHBondContact O-N 2.85Å; S161-T163 PolarHBondContact O-N 2.8Å
162S49.9Very low50.1Low82 Ų82128.9 Ų128.957%0.57367%0.666SS**  trans-75.790.8179.946.20000108.1T160 I164T160-S162 PolarHBondContact O-N 3.36Å; T160-S162 PolarHBondContact O-OG 3.06Å; S162-I164 VanDerWaalsContact C-N 3.34Å; S162-I164 PolarHBondContact O-N 2.93Å
163T57.4Low51.1Low78 Ų78119.8 Ų119.848%0.47964%0.635SS.*  trans-61.597.8168.8-460000108.2S161 R165 P186S161-T163 PolarHBondContact O-N 2.8Å; T163-R165 VanDerWaalsContact C-N 3.33Å; T163-R165 PolarHBondContact O-N 2.83Å; T163-P186 HydrophobicContact CG2-CG 4.27Å
164I59.2Low53.1Low70 Ų70118.3 Ų118.336%0.35962%0.616SS.*  trans-6592.5-176.4-66.7157.3000109.2S162 I173 P183S162-I164 VanDerWaalsContact C-N 3.34Å; S162-I164 PolarHBondContact O-N 2.93Å; I164-I173 HydrophobicContact CD1-CG2 3.75Å; I164-P183 HydrophobicContact CD1-CB 3.98Å; I164-P183 HydrophobicContact CD1-CG 3.75Å
165R56.9Low54.9Low200 Ų200111.2 Ų111.276%0.75560%0.597SS**  trans-77.1151.3162.2-65.2-171.8175-153.6-2.5107.9T163 T167 S168T163-R165 VanDerWaalsContact C-N 3.33Å; T163-R165 PolarHBondContact O-N 2.83Å; R165-T167 PolarHBondContact O-N 2.98Å; R165-S168 PolarHBondContact O-N 3.01Å
166R55.9Low56.6Low253 Ų253107.9 Ų107.996%0.95557%0.573SS**THydrogen-bonded Turntrans-71.628.9-151.7-53.217185.1131.3-0.4116
167T53.8Low58.2Low138 Ų138104.3 Ų104.385%0.84755%0.552SS**THydrogen-bonded Turntrans-143.24.1-172.959.90000114.6R165R165-T167 PolarHBondContact O-N 2.98Å
168S59.3Low60.1Low57 Ų57104.3 Ų104.340%0.39956%0.556SS.*SBendtrans-72.3153170.764.30000111.1R165 T172R165-S168 PolarHBondContact O-N 3.01Å; S168-T172 PolarHBondContact OG-OG1 3.37Å
169S67.1Low61.9Low66 Ų66104 Ų10446%0.46256%0.555SS.*  trans-68.1156.1-177.370.70000112.1D171 T172S169-D171 WeakPolarHBondContact CB-OD2 3.37Å; S169-D171 PolarHBondContact O-N 2.63Å; S169-D171 VanDerWaalsContact O-N 3.12Å; S169-D171 PolarHBondContact OG-OD2 3.27Å; S169-T172 WeakPolarHBondContact O-CB 3.34Å; S169-T172 PolarHBondContact O-N 3.22Å; S169-T172 PolarHBondContact O-OG1 3.03Å
170L69.3Low63.3Low129 Ų12997.3 Ų97.368%0.67555%0.546SS*.THydrogen-bonded Turntrans-60.8-25.8-175.3-143152.8000112T172 I173 T174L170-T172 PolarHBondContact O-N 3.31Å; L170-I173 HydrophobicContact CD2-CD1 4.18Å; L170-I173 HydrophobicContact CD2-CG1 4.23Å; L170-I173 HydrophobicContact CG-CD1 4.38Å; L170-I173 WeakPolarHBondContact O-CG1 3.42Å; L170-I173 PolarHBondContact O-N 2.77Å; L170-I173 VanDerWaalsContact O-N 3.14Å; L170-T174 PolarHBondContact O-N 3.4Å; L170-T174 PolarHBondContact O-OG1 2.97Å
171D70.5Confident64.5Low122 Ų12298.6 Ų98.665%0.65254%0.544SS*.Hα-helixtrans-58.7-30.6174.6-33.2-76.3000112.8S169 I173 T174S169-D171 WeakPolarHBondContact CB-OD2 3.37Å; S169-D171 PolarHBondContact O-N 2.63Å; S169-D171 VanDerWaalsContact O-N 3.12Å; S169-D171 PolarHBondContact OG-OD2 3.27Å; D171-I173 PolarHBondContact O-N 3.28Å; D171-T174 PolarHBondContact O-N 2.82Å
172T69.2Low65.6Low61 Ų61100.8 Ų100.837%0.37454%0.539SS..Hα-helixtrans-68.8-18.4179.860.90000113.8S168 S169 L170S168-T172 PolarHBondContact OG-OG1 3.37Å; S169-T172 WeakPolarHBondContact O-CB 3.34Å; S169-T172 PolarHBondContact O-N 3.22Å; S169-T172 PolarHBondContact O-OG1 3.03Å; L170-T172 PolarHBondContact O-N 3.31Å
173I69.4Low66.2Low39 Ų3999.9 Ų99.920%0.253%0.531CS..Hα-helixtrans-100.6-28.3174.458.1167.3000113.3I164 L170 D171 G175 P176 Y177I164-I173 HydrophobicContact CD1-CG2 3.75Å; L170-I173 HydrophobicContact CD2-CD1 4.18Å; L170-I173 HydrophobicContact CD2-CG1 4.23Å; L170-I173 HydrophobicContact CG-CD1 4.38Å; L170-I173 WeakPolarHBondContact O-CG1 3.42Å; L170-I173 PolarHBondContact O-N 2.77Å; L170-I173 VanDerWaalsContact O-N 3.14Å; D171-I173 PolarHBondContact O-N 3.28Å; I173-G175 PolarHBondContact O-N 3.21Å; I173-P176 WeakPolarHBondContact O-CD 3.29Å; I173-Y177 HydrophobicContact CB-CD2 4.07Å; I173-Y177 HydrophobicContact CB-CE2 3.7Å; I173-Y177 HydrophobicContact CD1-CE1 4.26Å; I173-Y177 HydrophobicContact CG2-CE2 4.18Å; I173-Y177 WeakPolarHBondContact O-CB 3.31Å; I173-Y177 WeakPolarHBondContact O-CD2 3.12Å; I173-Y177 PolarHBondContact O-N 3.23Å
174T72.4Confident66.5Low62 Ų62105.7 Ų105.738%0.3854%0.544SS..Hα-helixtrans-58.4-45.2-174.3-57.10000113.4L170 D171 Y177 L178L170-T174 PolarHBondContact O-N 3.4Å; L170-T174 PolarHBondContact O-OG1 2.97Å; D171-T174 PolarHBondContact O-N 2.82Å; T174-Y177 PolarHBondContact O-N 2.93Å; T174-L178 HydrophobicContact CG2-CD1 3.93Å; T174-L178 HydrophobicContact CG2-CG 4.44Å; T174-L178 WeakPolarHBondContact O-CG 3.38Å; T174-L178 PolarHBondContact O-N 3.03Å
175G74.4Confident66.6Low41 Ų41108.1 Ų108.142%0.42356%0.557SS.*Hα-helixtrans-61.1-55.6179.900000113.8I173 Y177 L178 T179I173-G175 PolarHBondContact O-N 3.21Å; G175-Y177 VanDerWaalsContact C-N 3.3Å; G175-Y177 PolarHBondContact O-N 3.21Å; G175-L178 PolarHBondContact O-N 3.26Å; G175-T179 PolarHBondContact O-N 3.06Å; G175-T179 PolarHBondContact O-OG1 3.06Å
176P73.4Confident66.7Low49 Ų49101.5 Ų101.532%0.31854%0.541SS..Hα-helixtrans-57.7-39174.9-26.234.1000113.4I173 T179 G180 Q181I173-P176 WeakPolarHBondContact O-CD 3.29Å; P176-T179 PolarHBondContact O-N 3.4Å; P176-T179 PolarHBondContact O-OG1 3.36Å; P176-G180 PolarHBondContact O-N 3.15Å; P176-Q181 CarbonylContact C-O 3.51Å; P176-Q181 WeakPolarHBondContact CB-O 3.26Å; P176-Q181 CarbonylContact O-C 3.57Å; P176-Q181 PolarHBondContact O-N 3.1Å
177Y65.1Low66.4Low96 Ų9697.4 Ų97.438%0.37653%0.532SS..Hα-helixtrans-64.9-44.3-179.8-79.8-145.5000112.2I173 T174 G175 T179 G180 W182 P183I173-Y177 HydrophobicContact CB-CD2 4.07Å; I173-Y177 HydrophobicContact CB-CE2 3.7Å; I173-Y177 HydrophobicContact CD1-CE1 4.26Å; I173-Y177 HydrophobicContact CG2-CE2 4.18Å; I173-Y177 WeakPolarHBondContact O-CB 3.31Å; I173-Y177 WeakPolarHBondContact O-CD2 3.12Å; I173-Y177 PolarHBondContact O-N 3.23Å; T174-Y177 PolarHBondContact O-N 2.93Å; G175-Y177 VanDerWaalsContact C-N 3.3Å; G175-Y177 PolarHBondContact O-N 3.21Å; Y177-T179 PolarHBondContact O-N 2.99Å; Y177-G180 PolarHBondContact O-N 3.27Å; Y177-W182 AromaticContact CD1-CH2 3.89Å; Y177-W182 HydrophobicContact CD1-CH2 3.89Å; Y177-W182 HydrophobicContact CD1-CZ2 4.45Å; Y177-W182 AromaticContact CD1-CZ3 3.97Å; Y177-W182 HydrophobicContact CD1-CZ3 3.97Å; Y177-W182 HydrophobicContact CD2-CE3 4.38Å; Y177-W182 HydrophobicContact CE1-CE3 4.08Å; Y177-W182 AromaticContact CE1-CH2 3.59Å; Y177-W182 HydrophobicContact CE1-CH2 3.59Å; Y177-W182 AromaticContact CE1-CZ3 3.32Å; Y177-W182 HydrophobicContact CE1-CZ3 3.32Å; Y177-W182 AromaticContact CE2-CE3 3.85Å; Y177-W182 HydrophobicContact CE2-CE3 3.85Å; Y177-W182 AromaticContact CE2-CZ3 3.95Å; Y177-W182 HydrophobicContact CE2-CZ3 3.95Å; Y177-W182 AromaticContact CZ-CE3 3.69Å; Y177-W182 AromaticContact CZ-CZ3 3.32Å; Y177-P183 HydrophobicContact CE2-CG 4.22Å
178L76.3Confident66Low149 Ų14995.5 Ų95.578%0.7852%0.52SS*.Hα-helixtrans-66.4-19.8177.9-70.1173.6000113.5T174 G175T174-L178 HydrophobicContact CG2-CD1 3.93Å; T174-L178 HydrophobicContact CG2-CG 4.44Å; T174-L178 WeakPolarHBondContact O-CG 3.38Å; T174-L178 PolarHBondContact O-N 3.03Å; G175-L178 PolarHBondContact O-N 3.26Å
179T73.8Confident65.6Low103 Ų103102.2 Ų102.263%0.63254%0.544SS*.THydrogen-bonded Turntrans-95.97.8173.655.50000113.3G175 P176 Y177 Q181G175-T179 PolarHBondContact O-N 3.06Å; G175-T179 PolarHBondContact O-OG1 3.06Å; P176-T179 PolarHBondContact O-N 3.4Å; P176-T179 PolarHBondContact O-OG1 3.36Å; Y177-T179 PolarHBondContact O-N 2.99Å; T179-Q181 PolarHBondContact O-N 3.41Å
180G72.3Confident64.7Low51 Ų51108.6 Ų108.653%0.52656%0.56SS.*THydrogen-bonded Turntrans720.1-178.800000114.9P176 Y177 W182P176-G180 PolarHBondContact O-N 3.15Å; Y177-G180 PolarHBondContact O-N 3.27Å; G180-W182 PolarHBondContact O-N 3.34Å
181Q64.7Low63.9Low133 Ų133107.3 Ų107.362%0.62156%0.559SS**  trans-93.185.6-176.2-66.9-66.8-0.900110.7P176 T179P176-Q181 CarbonylContact C-O 3.51Å; P176-Q181 WeakPolarHBondContact CB-O 3.26Å; P176-Q181 CarbonylContact O-C 3.57Å; P176-Q181 PolarHBondContact O-N 3.1Å; T179-Q181 PolarHBondContact O-N 3.41Å
182W66.3Low62.8Low138 Ų138107.2 Ų107.252%0.52357%0.568SS.*PPolyproline II helixtrans-60.8135.4174.2-68.482000111.3Y177 G180 R184Y177-W182 AromaticContact CD1-CH2 3.89Å; Y177-W182 HydrophobicContact CD1-CH2 3.89Å; Y177-W182 HydrophobicContact CD1-CZ2 4.45Å; Y177-W182 AromaticContact CD1-CZ3 3.97Å; Y177-W182 HydrophobicContact CD1-CZ3 3.97Å; Y177-W182 HydrophobicContact CD2-CE3 4.38Å; Y177-W182 HydrophobicContact CE1-CE3 4.08Å; Y177-W182 AromaticContact CE1-CH2 3.59Å; Y177-W182 HydrophobicContact CE1-CH2 3.59Å; Y177-W182 AromaticContact CE1-CZ3 3.32Å; Y177-W182 HydrophobicContact CE1-CZ3 3.32Å; Y177-W182 AromaticContact CE2-CE3 3.85Å; Y177-W182 HydrophobicContact CE2-CE3 3.85Å; Y177-W182 AromaticContact CE2-CZ3 3.95Å; Y177-W182 HydrophobicContact CE2-CZ3 3.95Å; Y177-W182 AromaticContact CZ-CE3 3.69Å; Y177-W182 AromaticContact CZ-CZ3 3.32Å; G180-W182 PolarHBondContact O-N 3.34Å; W182-R184 WeakPolarHBondContact O-CG 3.28Å; W182-R184 PolarHBondContact O-N 3.43Å; W182-R184 VanDerWaalsContact O-N 3.08Å
183P63.8Low62Low63 Ų63109.6 Ų109.641%0.40959%0.586SS.*PPolyproline II helixtrans-51.9117.2174.5-27.535.1000111.3I164 Y177I164-P183 HydrophobicContact CD1-CB 3.98Å; I164-P183 HydrophobicContact CD1-CG 3.75Å; Y177-P183 HydrophobicContact CE2-CG 4.22Å
184R63Low61.1Low200 Ų200116.6 Ų116.676%0.75562%0.62SS**PPolyproline II helixtrans-94.1145177.1-60.2-52.7-172.8177.60.6110.2W182W182-R184 WeakPolarHBondContact O-CG 3.28Å; W182-R184 PolarHBondContact O-N 3.43Å; W182-R184 VanDerWaalsContact O-N 3.08Å
185D61.3Low59.9Low120 Ų120122.4 Ų122.464%0.64264%0.64SS**PPolyproline II helixtrans-67.8122.7-174.8-156.9-8.7000110.4H187D185-H187 PolarHBondContact O-N 3.14Å
186P59Low58.9Low62 Ų62126.7 Ų126.740%0.40365%0.653SS.*THydrogen-bonded Turntrans-64.3-7-166.3-27.737.1000117.2T163T163-P186 HydrophobicContact CG2-CG 4.27Å
187H50.4Low57.7Low167 Ų167132.3 Ų132.377%0.77367%0.673SS**THydrogen-bonded Turntrans-111.712.1-171-64.8-58.2000115D185D185-H187 PolarHBondContact O-N 3.14Å
188V44.8Very low57Low97 Ų97131.8 Ų131.859%0.58869%0.688SS**  trans-121.498.9174.2-173.10000111Y190V188-Y190 VanDerWaalsContact C-N 3.3Å; V188-Y190 HydrophobicContact CG1-CD2 4.32Å; V188-Y190 PolarHBondContact O-N 3.3Å
189H51.8Low55.8Low198 Ų198130.7 Ų130.792%0.91769%0.688SS**  trans-69.587.2164.7-90.6-90000109.7
190Y48.3Very low54.4Low201 Ų201134.7 Ų134.779%0.78870%0.699SS**PPolyproline II helixtrans-88126170-146.1-91.7000109.5V188V188-Y190 VanDerWaalsContact C-N 3.3Å; V188-Y190 HydrophobicContact CG1-CD2 4.32Å; V188-Y190 PolarHBondContact O-N 3.3Å
191P51.8Low53.1Low102 Ų102137.5 Ų137.566%0.66271%0.706SS**PPolyproline II helixtrans-66.8159.8175.329-34.4000111.2
192S48.3Very low52.3Low120 Ų120136.3 Ų136.384%0.83971%0.71SS**PPolyproline II helixtrans-54.8141.8-171.6-164.20000113.4M194S192-M194 PolarHBondContact O-N 3.21Å
193C50.8Low51.2Low111 Ų111135.4 Ų135.475%0.7573%0.725SS**PPolyproline II helixtrans-70.1124-176.556.90000112.9
194M51.6Low50.1Low186 Ų186137.6 Ų137.692%0.91674%0.74SS**  trans-172.564.7150.9-89.6-123.576.600111.2S192S192-M194 PolarHBondContact O-N 3.21Å
195K47.1Very low49.4Very low184 Ų184140.6 Ų140.680%0.875%0.752SS**  trans-155.889.1160.9-158.2149-173.2169.80112.6K197K195-K197 HydrophobicContact CG-CG 4.4Å; K195-K197 PolarHBondContact O-N 2.65Å
196D53.9Low48.3Very low131 Ų131139.8 Ų139.870%0.70176%0.762SS**  trans-68128.1168.6-170.9-3.1000110.5A198D196-A198 VanDerWaalsContact OD1-CB 3.23Å; D196-A198 WeakPolarHBondContact OD1-CB 3.36Å; D196-A198 PolarHBondContact OD1-N 3.12Å
197K47.7Very low47.6Very low167 Ų167145.7 Ų145.773%0.72678%0.784SS**  trans-138.336.5170.9-75.3-66.5140.7-162.50111.7K195 T199K195-K197 HydrophobicContact CG-CG 4.4Å; K195-K197 PolarHBondContact O-N 2.65Å; K197-T199 PolarHBondContact O-N 2.98Å
198A50.4Low47.3Very low84 Ų84147.1 Ų147.169%0.69479%0.791SS**  trans-75.747.7179.300000115.1D196D196-A198 VanDerWaalsContact OD1-CB 3.23Å; D196-A198 WeakPolarHBondContact OD1-CB 3.36Å; D196-A198 PolarHBondContact OD1-N 3.12Å
199T50.3Low47.1Very low126 Ų126146 Ų14677%0.77380%0.799SS**  trans-141.654.3162.7540000111.2K197 T201K197-T199 PolarHBondContact O-N 2.98Å; T199-T201 VanDerWaalsContact C-N 3.31Å; T199-T201 PolarHBondContact O-N 3.3Å; T199-T201 VanDerWaalsContact O-N 3.15Å
200Q44.6Very low46.7Very low187 Ų187141.4 Ų141.487%0.87480%0.795SS**  trans-8279.5166.8-170.6176.44.600109.8
201T46.2Very low46.3Very low111 Ų111141.3 Ų141.368%0.68180%0.802SS**PPolyproline II helixtrans-58.9129.6164-48.10000108.1T199 S203T199-T201 VanDerWaalsContact C-N 3.31Å; T199-T201 PolarHBondContact O-N 3.3Å; T199-T201 VanDerWaalsContact O-N 3.15Å; T201-S203 PolarHBondContact O-N 2.97Å
202P46.7Very low46.4Very low107 Ų107146.1 Ų146.170%0.69581%0.812SS**PPolyproline II helixtrans-61.3131.6171.126.6-33.1000108.5C204P202-C204 PolarHBondContact O-N 3.24Å; P202-C204 VanDerWaalsContact O-N 3.09Å
203S43.9Very low46.4Very low120 Ų120151.9 Ų151.984%0.83982%0.816SS**PPolyproline II helixtrans-57.6116.6-17949.20000110.1T201T201-S203 PolarHBondContact O-N 2.97Å
204C39.8Very low46.4Very low108 Ų108152 Ų15273%0.7382%0.818SS**PPolyproline II helixtrans-59.3156.4174.5-610000111P202 A206P202-C204 PolarHBondContact O-N 3.24Å; P202-C204 VanDerWaalsContact O-N 3.09Å; C204-A206 PolarHBondContact O-N 3.2Å
205W48.6Very low45.9Very low264 Ų264150 Ų150100%181%0.806SS**  trans-41.1107.5177.7-57.786.6000112.9
206A38.6Very low46.2Very low102 Ų102150 Ų15084%0.84381%0.809SS**  trans-92.3103.9155.700000106.5C204C204-A206 PolarHBondContact O-N 3.2Å
207E44.3Very low46Very low186 Ų186153 Ų15387%0.86981%0.81SS**  trans-81.8160.9165.3-175.6167-17700109.4
208E43.8Very low46.2Very low198 Ų198150.4 Ų150.493%0.92581%0.814SS**  trans79.7150.2173.9-160.8161.2-129.200117.6
209G40.3Very low46.1Very low73 Ų73150 Ų15075%0.75381%0.81SS**  trans90.191.3175.100000114.9
210A44.3Very low46.3Very low102 Ų102149.5 Ų149.584%0.84381%0.812SS**  trans-81.3132.4166.300000110.6
211E38.3Very low46.4Very low198 Ų198152 Ų15293%0.92581%0.814SS**  trans-163.9171.4135.1-115.8178.7177.300114.2
212K55.1Low46.8Very low203 Ų203149.5 Ų149.588%0.88381%0.81SS**  trans-100.2113.5-159.2-58.8167.2-173.1166.60112.4
213R48.1Very low47.3Very low241 Ų241147.4 Ų147.491%0.90980%0.798SS**  trans-145.5127.6153-152.1163.3-176.490.9-1.3113.2H215R213-H215 PolarHBondContact O-N 3.25Å
214S50.1Low48.2Very low115 Ų115144.8 Ų144.880%0.80478%0.783SS**  trans-76.498.4-175.336.80000112.1Q216S214-Q216 PolarHBondContact O-N 3.35Å
215H42.7Very low49.6Very low142 Ų142144.1 Ų144.166%0.65777%0.772SS**  trans-87.888.7171.8-158.368.1000111R213 R217R213-H215 PolarHBondContact O-N 3.25Å; H215-R217 VanDerWaalsContact C-N 3.3Å; H215-R217 PolarHBondContact CD2-NE 2.96Å; H215-R217 VanDerWaalsContact CD2-NE 3.29Å; H215-R217 PolarHBondContact NE2-NE 2.79Å; H215-R217 PolarHBondContact NE2-NH2 2.74Å; H215-R217 PolarHBondContact O-N 3.37Å
216Q51.9Low50.7Low185 Ų185136.7 Ų136.786%0.86475%0.749SS**  trans-71.975.3-173.4-170.7172.4-17.100112.8S214S214-Q216 PolarHBondContact O-N 3.35Å
217R50.4Low52.7Low193 Ų193136.9 Ų136.973%0.72874%0.735SS**  trans-94.1124.7164.5-70.7-178.5-176.1-95.3-4.5109.2H215 A219H215-R217 VanDerWaalsContact C-N 3.3Å; H215-R217 PolarHBondContact CD2-NE 2.96Å; H215-R217 VanDerWaalsContact CD2-NE 3.29Å; H215-R217 PolarHBondContact NE2-NE 2.79Å; H215-R217 PolarHBondContact NE2-NH2 2.74Å; H215-R217 PolarHBondContact O-N 3.37Å; R217-A219 VanDerWaalsContact C-N 3.25Å; R217-A219 PolarHBondContact O-N 2.68Å
218S52.7Low54.6Low114 Ų114134.1 Ų134.180%0.79772%0.72SS**  trans-70.170.7-173.1-53.30000113.7S220S218-S220 VanDerWaalsContact C-N 3.25Å; S218-S220 PolarHBondContact O-N 2.87Å
219A47.4Very low56.6Low74 Ų74129.4 Ų129.461%0.61270%0.698SS**  trans-86.856.1174.600000111.5R217 W221R217-A219 VanDerWaalsContact C-N 3.25Å; R217-A219 PolarHBondContact O-N 2.68Å; A219-W221 PolarHBondContact O-N 3.23Å
220S54Low58.8Low117 Ų117131.2 Ų131.282%0.81869%0.687SS**  trans-7268.4171.4-69.50000111.2S218 G222S218-S220 VanDerWaalsContact C-N 3.25Å; S218-S220 PolarHBondContact O-N 2.87Å; S220-G222 PolarHBondContact O-N 3.3Å
221W47.8Very low61Low240 Ų240129.8 Ų129.891%0.90966%0.664SS**  trans-67.985.8158.4-73.875.9000106.8A219 S223A219-W221 PolarHBondContact O-N 3.23Å; W221-S223 PolarHBondContact O-N 3.06Å
222G53.1Low63.5Low58 Ų58123 Ų12360%0.59864%0.642SS**  trans-57.6120.5-162.600000112.9S220S220-G222 PolarHBondContact O-N 3.3Å
223S58.1Low65.2Low63 Ų63119 Ų11944%0.44163%0.625SS.*  trans40.598.7167.4-1720000115.7W221 D225 Q226 L227W221-S223 PolarHBondContact O-N 3.06Å; S223-D225 PolarHBondContact O-N 2.96Å; S223-D225 WeakPolarHBondContact OG-CB 3.48Å; S223-D225 PolarHBondContact OG-N 3.44Å; S223-Q226 WeakPolarHBondContact O-CB 3.46Å; S223-Q226 PolarHBondContact O-N 2.96Å; S223-Q226 PolarHBondContact OG-N 3.45Å; S223-L227 PolarHBondContact O-N 3.26Å
224A62.6Low67.3Low64 Ų64112.1 Ų112.153%0.52961%0.605SS.*Hα-helixtrans-53.8-23.3164.100000112.2L227 K228A224-L227 PolarHBondContact O-N 2.7Å; A224-K228 VanDerWaalsContact O-CG 3.31Å; A224-K228 WeakPolarHBondContact O-CG 3.16Å; A224-K228 PolarHBondContact O-N 3.44Å
225D70.5Confident69.2Low94 Ų94114.6 Ų114.650%0.50360%0.597SS.*Hα-helixtrans-76.8-32.4175.6-52.6-65.3000113S223 L227 K228 E229S223-D225 PolarHBondContact O-N 2.96Å; S223-D225 WeakPolarHBondContact OG-CB 3.48Å; S223-D225 PolarHBondContact OG-N 3.44Å; D225-L227 VanDerWaalsContact C-N 3.29Å; D225-L227 PolarHBondContact O-N 2.81Å; D225-K228 PolarHBondContact O-N 3.07Å; D225-K228 WeakPolarHBondContact OD1-CD 3.31Å; D225-K228 WeakPolarHBondContact OD1-CE 3.39Å; D225-K228 IonicContact OD1-NZ 3.92Å; D225-K228 PolarHBondContact OD1-NZ 3.08Å; D225-E229 VanDerWaalsContact O-CB 3.28Å; D225-E229 WeakPolarHBondContact O-CB 3.36Å; D225-E229 PolarHBondContact O-N 2.76Å
226Q71.3Confident71.5Confident109 Ų109113.3 Ų113.351%0.50959%0.591SS.*Hα-helixtrans-62.5-38.8168.3-174.4-178.396.700110.8S223 E229 Q230S223-Q226 WeakPolarHBondContact O-CB 3.46Å; S223-Q226 PolarHBondContact O-N 2.96Å; S223-Q226 PolarHBondContact OG-N 3.45Å; Q226-E229 PolarHBondContact O-N 2.97Å; Q226-Q230 WeakPolarHBondContact O-CB 3.36Å; Q226-Q230 WeakPolarHBondContact O-CG 3.05Å; Q226-Q230 PolarHBondContact O-N 3.3Å
227L79.9Confident73.2Confident105 Ų105111 Ų11155%0.5558%0.58SS.*Hα-helixtrans-65.8-43.7173.5179.860.2000111.7S223 A224 D225 E229 Q230 I231S223-L227 PolarHBondContact O-N 3.26Å; A224-L227 PolarHBondContact O-N 2.7Å; D225-L227 VanDerWaalsContact C-N 3.29Å; D225-L227 PolarHBondContact O-N 2.81Å; L227-E229 VanDerWaalsContact C-N 3.31Å; L227-E229 PolarHBondContact O-N 2.76Å; L227-Q230 PolarHBondContact O-N 2.74Å; L227-I231 HydrophobicContact CD1-CD1 3.95Å; L227-I231 HydrophobicContact CD1-CG1 4.28Å; L227-I231 HydrophobicContact CG-CD1 3.92Å; L227-I231 WeakPolarHBondContact O-CB 3.46Å; L227-I231 VanDerWaalsContact O-CG1 3.24Å; L227-I231 WeakPolarHBondContact O-CG1 3.15Å; L227-I231 PolarHBondContact O-N 2.73Å
228K83.9Confident74.8Confident129 Ų129106.6 Ų106.656%0.56157%0.571SS**Hα-helixtrans-59.1-42173-68.3167-155.91650111.5A224 D225 I231 A232A224-K228 VanDerWaalsContact O-CG 3.31Å; A224-K228 WeakPolarHBondContact O-CG 3.16Å; A224-K228 PolarHBondContact O-N 3.44Å; D225-K228 PolarHBondContact O-N 3.07Å; D225-K228 WeakPolarHBondContact OD1-CD 3.31Å; D225-K228 WeakPolarHBondContact OD1-CE 3.39Å; D225-K228 IonicContact OD1-NZ 3.92Å; D225-K228 PolarHBondContact OD1-NZ 3.08Å; K228-I231 PolarHBondContact O-N 3.08Å; K228-A232 WeakPolarHBondContact O-CB 3.5Å; K228-A232 PolarHBondContact O-N 2.79Å
229E87.3Confident76.1Confident98 Ų98107.7 Ų107.746%0.45856%0.563SS.*Hα-helixtrans-67.9-43-179.9-164.3-162.6153.700111.7D225 Q226 L227 A232 K233D225-E229 VanDerWaalsContact O-CB 3.28Å; D225-E229 WeakPolarHBondContact O-CB 3.36Å; D225-E229 PolarHBondContact O-N 2.76Å; Q226-E229 PolarHBondContact O-N 2.97Å; L227-E229 VanDerWaalsContact C-N 3.31Å; L227-E229 PolarHBondContact O-N 2.76Å; E229-A232 PolarHBondContact O-N 2.87Å; E229-K233 HydrophobicContact CG-CD 4.33Å; E229-K233 WeakPolarHBondContact O-CB 3.41Å; E229-K233 WeakPolarHBondContact O-CG 3.03Å; E229-K233 PolarHBondContact O-N 3.05Å; E229-K233 WeakPolarHBondContact OE1-CE 3.23Å; E229-K233 IonicContact OE1-NZ 3.29Å; E229-K233 PolarHBondContact OE1-NZ 2.93Å
230Q85.9Confident77.3Confident111 Ų111112.8 Ų112.852%0.51957%0.567SS.*Hα-helixtrans-62.6-42.2172.6-75.1-178.63.700111.6Q226 L227 A232 K233 L234Q226-Q230 WeakPolarHBondContact O-CB 3.36Å; Q226-Q230 WeakPolarHBondContact O-CG 3.05Å; Q226-Q230 PolarHBondContact O-N 3.3Å; L227-Q230 PolarHBondContact O-N 2.74Å; Q230-A232 VanDerWaalsContact C-N 3.34Å; Q230-A232 PolarHBondContact O-N 2.81Å; Q230-K233 PolarHBondContact O-N 3.1Å; Q230-L234 VanDerWaalsContact O-CB 3.25Å; Q230-L234 WeakPolarHBondContact O-CB 3.4Å; Q230-L234 PolarHBondContact O-N 3.28Å
231I89.8Confident77.8Confident73 Ų73110.7 Ų110.737%0.37455%0.552SS.*Hα-helixtrans-63.8-39.2174.4-70.2167.2000111.1L227 K228 R235L227-I231 HydrophobicContact CD1-CD1 3.95Å; L227-I231 HydrophobicContact CD1-CG1 4.28Å; L227-I231 HydrophobicContact CG-CD1 3.92Å; L227-I231 WeakPolarHBondContact O-CB 3.46Å; L227-I231 VanDerWaalsContact O-CG1 3.24Å; L227-I231 WeakPolarHBondContact O-CG1 3.15Å; L227-I231 PolarHBondContact O-N 2.73Å; K228-I231 PolarHBondContact O-N 3.08Å; I231-R235 WeakPolarHBondContact O-CB 3.4Å; I231-R235 WeakPolarHBondContact O-CG 3.25Å; I231-R235 PolarHBondContact O-N 3.26Å
232A90.6Very high78.4Confident56 Ų56108.1 Ų108.146%0.46355%0.547SS..Hα-helixtrans-66.5-46.3176.200000111.8K228 E229 Q230 R235 Q236K228-A232 WeakPolarHBondContact O-CB 3.5Å; K228-A232 PolarHBondContact O-N 2.79Å; E229-A232 PolarHBondContact O-N 2.87Å; Q230-A232 VanDerWaalsContact C-N 3.34Å; Q230-A232 PolarHBondContact O-N 2.81Å; A232-R235 PolarHBondContact O-N 3.04Å; A232-Q236 WeakPolarHBondContact O-CB 3.31Å; A232-Q236 PolarHBondContact O-N 2.88Å
233K91Very high78.6Confident119 Ų119113.5 Ų113.552%0.51756%0.557SS.*Hα-helixtrans-61.1-44.2175.2-77.7171.8167.4172.30111.7E229 Q230 Q236 Q237E229-K233 HydrophobicContact CG-CD 4.33Å; E229-K233 WeakPolarHBondContact O-CB 3.41Å; E229-K233 WeakPolarHBondContact O-CG 3.03Å; E229-K233 PolarHBondContact O-N 3.05Å; E229-K233 WeakPolarHBondContact OE1-CE 3.23Å; E229-K233 IonicContact OE1-NZ 3.29Å; E229-K233 PolarHBondContact OE1-NZ 2.93Å; Q230-K233 PolarHBondContact O-N 3.1Å; K233-Q236 PolarHBondContact O-N 2.89Å; K233-Q237 WeakPolarHBondContact O-CB 3.46Å; K233-Q237 PolarHBondContact O-N 2.96Å
234L92.5Very high78.2Confident95 Ų95114.4 Ų114.450%0.49756%0.563SS.*Hα-helixtrans-62.4-44.4175.3-17958.4000112Q230 Q236 Q237 L238Q230-L234 VanDerWaalsContact O-CB 3.25Å; Q230-L234 WeakPolarHBondContact O-CB 3.4Å; Q230-L234 PolarHBondContact O-N 3.28Å; L234-Q236 PolarHBondContact O-N 3.41Å; L234-Q237 PolarHBondContact O-N 3.45Å; L234-L238 HydrophobicContact CD1-CD1 4.16Å; L234-L238 HydrophobicContact CD1-CG 4.35Å; L234-L238 HydrophobicContact CG-CD1 4.12Å; L234-L238 WeakPolarHBondContact O-CB 3.42Å; L234-L238 VanDerWaalsContact O-CG 3.31Å; L234-L238 WeakPolarHBondContact O-CG 3.43Å; L234-L238 PolarHBondContact O-N 2.93Å
235R89.8Confident77.9Confident168 Ų168116.3 Ų116.363%0.63457%0.573SS**Hα-helixtrans-60.4-44.3174.2-76.4171.6177.6-162.4-0.2111.7I231 A232 L238 Q239I231-R235 WeakPolarHBondContact O-CB 3.4Å; I231-R235 WeakPolarHBondContact O-CG 3.25Å; I231-R235 PolarHBondContact O-N 3.26Å; A232-R235 PolarHBondContact O-N 3.04Å; R235-L238 PolarHBondContact O-N 2.9Å; R235-Q239 WeakPolarHBondContact O-CB 3.28Å; R235-Q239 VanDerWaalsContact O-CG 3.28Å; R235-Q239 WeakPolarHBondContact O-CG 3.43Å; R235-Q239 PolarHBondContact O-N 3.25Å
236Q90.9Very high77.1Confident115 Ų115122.9 Ų122.954%0.53759%0.59SS.*Hα-helixtrans-65.2-40.8178-169.5-177.769.600111.9A232 K233 L234 Q239 R240A232-Q236 WeakPolarHBondContact O-CB 3.31Å; A232-Q236 PolarHBondContact O-N 2.88Å; K233-Q236 PolarHBondContact O-N 2.89Å; L234-Q236 PolarHBondContact O-N 3.41Å; Q236-Q239 PolarHBondContact O-N 2.82Å; Q236-R240 WeakPolarHBondContact O-CB 3.47Å; Q236-R240 WeakPolarHBondContact O-CG 3.2Å; Q236-R240 PolarHBondContact O-N 2.94Å
237Q88.4Confident76.2Confident136 Ų136125.1 Ų125.164%0.63660%0.601SS**Hα-helixtrans-62.2-45174.3-178.7176.4-14.500111.5K233 L234 R240 S241K233-Q237 WeakPolarHBondContact O-CB 3.46Å; K233-Q237 PolarHBondContact O-N 2.96Å; L234-Q237 PolarHBondContact O-N 3.45Å; Q237-R240 PolarHBondContact O-N 3.17Å; Q237-S241 WeakPolarHBondContact O-CB 3.37Å; Q237-S241 PolarHBondContact O-N 2.96Å
238L83.1Confident74.4Confident100 Ų100125.8 Ų125.852%0.52461%0.614SS.*Hα-helixtrans-67.2-35.8177.4-70.2168.8000112.6L234 R235 K242L234-L238 HydrophobicContact CD1-CD1 4.16Å; L234-L238 HydrophobicContact CD1-CG 4.35Å; L234-L238 HydrophobicContact CG-CD1 4.12Å; L234-L238 WeakPolarHBondContact O-CB 3.42Å; L234-L238 VanDerWaalsContact O-CG 3.31Å; L234-L238 WeakPolarHBondContact O-CG 3.43Å; L234-L238 PolarHBondContact O-N 2.93Å; R235-L238 PolarHBondContact O-N 2.9Å; L238-K242 PolarHBondContact O-N 2.8Å; L238-K242 VanDerWaalsContact O-N 3.17Å
239Q79.9Confident73Confident137 Ų137129 Ų12964%0.6463%0.628SS**Hα-helixtrans-65.8-48.4173.5-76.5170.8-24.500111.7R235 Q236 S241 K242R235-Q239 WeakPolarHBondContact O-CB 3.28Å; R235-Q239 VanDerWaalsContact O-CG 3.28Å; R235-Q239 WeakPolarHBondContact O-CG 3.43Å; R235-Q239 PolarHBondContact O-N 3.25Å; Q236-Q239 PolarHBondContact O-N 2.82Å; Q239-S241 PolarHBondContact O-N 3.46Å; Q239-K242 PolarHBondContact O-N 2.92Å
240R72.2Confident71Confident182 Ų182132.3 Ų132.369%0.68764%0.643SS**Hα-helixtrans-62.6-41.5175.8-71.3179.769.5145.31.2111.5Q236 Q237 K242 Q243 S244Q236-R240 WeakPolarHBondContact O-CB 3.47Å; Q236-R240 WeakPolarHBondContact O-CG 3.2Å; Q236-R240 PolarHBondContact O-N 2.94Å; Q237-R240 PolarHBondContact O-N 3.17Å; R240-K242 VanDerWaalsContact C-N 3.35Å; R240-K242 PolarHBondContact O-N 3.42Å; R240-Q243 PolarHBondContact O-N 3.15Å; R240-S244 VanDerWaalsContact O-CB 3.25Å; R240-S244 WeakPolarHBondContact O-CB 3.22Å; R240-S244 PolarHBondContact O-N 3.07Å
241S64.5Low69.4Low73 Ų73136.5 Ų136.551%0.5166%0.66SS.*Hα-helixtrans-55.5-45.2176.1172.80000112.5Q237 Q239 Q243 S244Q237-S241 WeakPolarHBondContact O-CB 3.37Å; Q237-S241 PolarHBondContact O-N 2.96Å; Q239-S241 PolarHBondContact O-N 3.46Å; S241-Q243 PolarHBondContact O-N 2.93Å; S241-S244 PolarHBondContact O-N 3.1Å
242K61.2Low67.1Low185 Ų185139.6 Ų139.680%0.80468%0.677SS**Hα-helixtrans-63.6-21.8179.7-77.5-169.3176.9-169.30114.8L238 Q239 R240L238-K242 PolarHBondContact O-N 2.8Å; L238-K242 VanDerWaalsContact O-N 3.17Å; Q239-K242 PolarHBondContact O-N 2.92Å; R240-K242 VanDerWaalsContact C-N 3.35Å; R240-K242 PolarHBondContact O-N 3.42Å
243Q57.8Low65.2Low171 Ų171148 Ų14880%0.79970%0.697SS**Hα-helixtrans-103.7-26.1176-66.7-173.6-14.400113R240 S241 S245R240-Q243 PolarHBondContact O-N 3.15Å; S241-Q243 PolarHBondContact O-N 2.93Å; Q243-S245 PolarHBondContact O-N 3.13Å
244S50.1Low62.9Low82 Ų82150.9 Ų150.957%0.57371%0.712SS**G310 helixtrans-66.4-4.1177.5-167.30000114.6R240 S241 R246R240-S244 VanDerWaalsContact O-CB 3.25Å; R240-S244 WeakPolarHBondContact O-CB 3.22Å; R240-S244 PolarHBondContact O-N 3.07Å; S241-S244 PolarHBondContact O-N 3.1Å; S244-R246 PolarHBondContact O-N 2.92Å; S244-R246 VanDerWaalsContact O-N 3.14Å
245S56.3Low60.5Low104 Ų104150.7 Ų150.773%0.72772%0.719SS**G310 helixtrans-69.8-0.9-179.1-171.40000115.2Q243Q243-S245 PolarHBondContact O-N 3.13Å
246R53.2Low58.8Low233 Ų233148.9 Ų148.988%0.87973%0.729SS**G310 helixtrans-131.412.1-174.4-69.1-165.3177.8-150.30.2116.6S244S244-R246 PolarHBondContact O-N 2.92Å; S244-R246 VanDerWaalsContact O-N 3.14Å
247H52.5Low56.5Low156 Ų156150.5 Ų150.572%0.72274%0.741SS**  trans-151.3100.4162.7-145.4-100.1000113
248S40.6Very low54.4Low118 Ų118152.6 Ų152.683%0.82575%0.75SS**  trans-154.879.8165.4-165.50000109.5
249K55.7Low52.4Low198 Ų198151.3 Ų151.386%0.86176%0.761SS**  trans-135.122.4178.9-102.9-77.4-177.5169.20112.1
250E44.3Very low50.7Low167 Ų167151 Ų15178%0.7876%0.764SS**  trans-127.395.4179.6-168.6146.2-137.800111.7D252E250-D252 PolarHBondContact O-N 3.15Å
251K53.2Low49.4Very low198 Ų198150.6 Ų150.686%0.86177%0.769SS**  trans9.191135.8-174.5-167.2174.1-170.20116.6
252D41.7Very low48.4Very low139 Ų139154.2 Ų154.274%0.74378%0.781SS**  trans-135151.5149.1-148-48.2000110.8E250E250-D252 PolarHBondContact O-N 3.15Å
253R51.3Low47.5Very low231 Ų231150.7 Ų150.787%0.87278%0.775SS**  trans-118.968.4-166.4-66176.3109.4-104.89111.4
254Q40.7Very low46.8Very low180 Ų180149.9 Ų149.984%0.84178%0.775SS**  trans-122.484.8173.1-62.4-164.35.900112
255S44.1Very low46.2Very low91 Ų91151.6 Ų151.664%0.63679%0.787SS**  trans-104.8128.7162-178.40000108.2L257S255-L257 PolarHBondContact O-N 3.07Å
256P52.1Low45.3Very low131 Ų131153.7 Ų153.785%0.85179%0.785SS**SBendtrans-69.310.1-173.6-22.934.9000116.9
257L42.9Very low44.4Very low149 Ų149149.1 Ų149.178%0.7878%0.783SS**  trans-105.5115.3-172.9-61.5-179.3000111.5S255 G259S255-L257 PolarHBondContact O-N 3.07Å; L257-G259 PolarHBondContact O-N 2.94Å; L257-G259 VanDerWaalsContact O-N 3.15Å
258H44.5Very low43.6Very low179 Ų179149.6 Ų149.683%0.82979%0.785SS**  trans-75.399-176.9-150.899.4000110.4
259G40.6Very low43.2Very low73 Ų73149 Ų14975%0.75379%0.787SS**  trans-122104.5-178.600000111.9L257L257-G259 PolarHBondContact O-N 2.94Å; L257-G259 VanDerWaalsContact O-N 3.15Å
260N44.2Very low42Very low131 Ų131146.5 Ų146.570%0.70179%0.789SS**  trans-77.9122.5-177.9-71.9-50000112.1
261H45Very low41.5Very low174 Ų174141.7 Ų141.781%0.80679%0.785SS**  trans-149.9129.8148.9-139.9-77.1000111.3
262I44.3Very low40.4Very low148 Ų148138.7 Ų138.776%0.75979%0.788SS**  trans-118118.3-179.5-28.8172.8000108
263T41.5Very low40.3Very low112 Ų112143.6 Ų143.669%0.68780%0.797SS**  trans178.696.4162.728.60000106
264I43.5Very low39.6Very low154 Ų154138.2 Ų138.279%0.7979%0.794SS**  59.899.385.2-58.6171.1000111.2
265S38.9Very low39.5Very low117 Ų117135.1 Ų135.182%0.81879%0.788SS**  trans-104114.6170.554.90000110.1
266H36.8Very low39.2Very low148 Ų148136.2 Ų136.269%0.68579%0.793SS**  trans-141115.5165.9-161.571.8000110.6Q268H266-Q268 PolarHBondContact NE2-NE2 3.17Å
267T34.1Very low38.8Very low137 Ų137138 Ų13884%0.8479%0.791SS**  trans-119.497.5-176.847.60000110.3
268Q35.2Very low38.6Very low166 Ų166136.6 Ų136.678%0.77679%0.792SS**  trans-149.4112.2165.6-71.6-164.797.300110.6H266H266-Q268 PolarHBondContact NE2-NE2 3.17Å
269A31.6Very low38.4Very low105 Ų105136.4 Ų136.487%0.86880%0.796SS**  trans-173.5150.8155.600000109.3
270T31.3Very low38.1Very low146 Ų146138.4 Ų138.490%0.89680%0.798SS**  trans-120.1126.5-168.1-55.20000112.6
271G33.7Very low37.8Very low67 Ų67139 Ų13969%0.69180%0.801SS**  trans76.3129.5146.700000119.2
272S30.6Very low37.6Very low134 Ų134138.5 Ų138.594%0.93780%0.803SS**  trans-162156143.9-88.20000110.5
273R39.8Very low37.3Very low242 Ų242136.5 Ų136.591%0.91380%0.802SS**  trans-116.6126.3-163.8178.1-176.7-177.4-122.78.8110.7
274S35.1Very low37.3Very low118 Ų118137.7 Ų137.783%0.82581%0.809SS**  trans-134.3160.4171.657.50000111.6
275V39.9Very low37.1Very low116 Ų116135.4 Ų135.470%0.70380%0.804SS**  trans-104.2141.1-162.2176.40000110.8
276P38.3Very low37.2Very low114 Ų114139.6 Ų139.674%0.7481%0.807SS**  trans-71.6150.9179.330-36.8000113.2
277M42.1Very low37.1Very low167 Ų167137.8 Ų137.882%0.82381%0.812SS**  trans-131.6156.7170.9-82.6-67.6140.500110.1
278P40.4Very low37.5Very low121 Ų121136.7 Ų136.779%0.78681%0.809SS**  trans-84.4159.5-148.931.2-37.1000116.5
279L40.1Very low37.9Very low174 Ų174134.6 Ų134.691%0.91181%0.808SS**  trans-83.2125.3179.7-68.9166.4000113
280S33.4Very low38Very low116 Ų116134.2 Ų134.281%0.81180%0.799SS**  trans-176.3145.7153-82.50000108.4
281N37.5Very low38.7Very low142 Ų142138.8 Ų138.876%0.75980%0.8SS**  cis-152.1145.5-14.247.28.4000107.7S283N281-S283 PolarHBondContact O-N 3.12Å
282I40.6Very low39Very low164 Ų164141.1 Ų141.184%0.84180%0.8SS**  trans-87.7115.4-167.7-64177.7000111.7
283S38.8Very low39.8Very low106 Ų106139.5 Ų139.574%0.74179%0.786SS**  trans-62.6128.6165.1-61.10000111N281 P285N281-S283 PolarHBondContact O-N 3.12Å; S283-P285 WeakPolarHBondContact O-CD 3.4Å
284V41.9Very low39.9Very low138 Ų138134 Ų13484%0.83678%0.784SS**  trans-65.5114.2-175.2179.60000112.2
285P38.9Very low40.6Very low105 Ų105135.3 Ų135.368%0.68278%0.781SS**  trans-87.4129.7166.6121000108.8S283 S287S283-P285 WeakPolarHBondContact O-CD 3.4Å; P285-S287 PolarHBondContact O-N 3.24Å
286K40.2Very low41.2Very low205 Ų205135.6 Ų135.689%0.89178%0.783SS**  trans-60.1126172-72.8172.2176.3172.10109.2S288K286-S288 PolarHBondContact O-N 3.43Å; K286-S288 VanDerWaalsContact O-N 3.08Å
287S35.5Very low42.4Very low111 Ų111139.6 Ų139.678%0.77679%0.792SS**  trans-61.1113.3-177.6-173.60000111.1P285 V289P285-S287 PolarHBondContact O-N 3.24Å; S287-V289 PolarHBondContact O-N 3.33Å
288S43Very low43.3Very low113 Ų113134.9 Ų134.979%0.7979%0.786SS**  trans-79.4107.4169.6-1750000108.3K286 S290K286-S288 PolarHBondContact O-N 3.43Å; K286-S288 VanDerWaalsContact O-N 3.08Å; S288-S290 PolarHBondContact O-N 3.32Å
289V42Very low44.5Very low123 Ų123133.7 Ų133.775%0.74577%0.772SS**  trans-71.2103.4179.6178.90000109.3S287 R291S287-V289 PolarHBondContact O-N 3.33Å; V289-R291 PolarHBondContact O-N 2.97Å
290S35.6Very low46Very low96 Ų96127.8 Ų127.867%0.67175%0.746SS**  trans-61.2121.3175.5-174.80000110.8S288 V292S288-S290 PolarHBondContact O-N 3.32Å; S290-V292 VanDerWaalsContact C-N 3.31Å; S290-V292 PolarHBondContact O-N 3.17Å
291R45.6Very low47.6Very low243 Ų243126.6 Ų126.692%0.91774%0.735SS**  trans-81.375.3179.7-71.2-169.7-71.7-171.6-3.7111.5V289V289-R291 PolarHBondContact O-N 2.97Å
292V39.8Very low48.9Very low116 Ų116127.4 Ų127.470%0.70373%0.734SS**  trans-81.9127.6161.5-179.30000108.3S290 C294S290-V292 VanDerWaalsContact C-N 3.31Å; S290-V292 PolarHBondContact O-N 3.17Å; V292-C294 PolarHBondContact O-N 3.2Å
293P47.8Very low50.1Low100 Ų100123.6 Ų123.665%0.64972%0.715SS**  trans-76.5107.9-177.529.9-34.2000111.5N295P293-N295 PolarHBondContact O-N 3.17Å
294C41.4Very low51.4Low126 Ų126122.5 Ų122.585%0.85170%0.698SS**  trans-85105172.3-137.70000109.7V292V292-C294 PolarHBondContact O-N 3.2Å
295N49.8Very low52.3Low145 Ų145124.1 Ų124.178%0.77569%0.694SS**  trans-103.859.8-176.3-69.9-67.3000112.3P293P293-N295 PolarHBondContact O-N 3.17Å
296V52.2Low53.4Low123 Ų123123.9 Ų123.975%0.74569%0.691SS**SBendtrans-145.2122.2164.7177.70000108.8G298V296-G298 VanDerWaalsContact C-N 3.32Å; V296-G298 PolarHBondContact O-N 3.39Å
297E64.3Low54.1Low197 Ų197121 Ų12192%0.92168%0.678SS**SBendtrans40.640.4158.2-13068.2-167.900119
298G60.5Low55.1Low69 Ų69121.7 Ų121.771%0.71167%0.672SS**  trans-111.9118.7171.300000111.6V296V296-G298 VanDerWaalsContact C-N 3.32Å; V296-G298 PolarHBondContact O-N 3.39Å
299I64.7Low55.4Low96 Ų96125 Ų12549%0.49267%0.672SS.*  trans-62.6152.2162.154.5170.9000109.4E304 F307I299-E304 HydrophobicContact CD1-CB 4.4Å; I299-E304 HydrophobicContact CD1-CG 3.79Å; I299-E304 HydrophobicContact CG1-CG 3.84Å; I299-F307 HydrophobicContact CD1-CD2 4.2Å
300S72.5Confident55.7Low50 Ų50126 Ų12635%0.3567%0.669SS.*  trans-67.5145.8179.258.70000111E302 L303 E304S300-E302 PolarHBondContact O-N 3.34Å; S300-L303 WeakPolarHBondContact O-CA 3.24Å; S300-L303 PolarHBondContact O-N 3.34Å; S300-L303 WeakPolarHBondContact OG-CD1 3.48Å; S300-L303 WeakPolarHBondContact OG-CG 3.41Å; S300-E304 PolarHBondContact O-N 2.84Å
301P66.4Low56.2Low90 Ų90128.4 Ų128.458%0.58467%0.674SS**THydrogen-bonded Turntrans-67.8-3.2-17826.7-35.8000114.8E304P301-E304 VanDerWaalsContact CA-OE1 3.28Å; P301-E304 WeakPolarHBondContact CA-OE1 3.25Å
302E65.8Low56Low160 Ų160122.1 Ų122.175%0.74866%0.659SS**THydrogen-bonded Turntrans-84.7-35.9167.8-63.1176.3160.600111.3S300S300-E302 PolarHBondContact O-N 3.34Å
303L66.1Low56Low83 Ų83120.5 Ų120.544%0.43567%0.665SS.*THydrogen-bonded Turntrans-82.5-25177.1-67.6177.6000113.4S300 K305 V306 F307S300-L303 WeakPolarHBondContact O-CA 3.24Å; S300-L303 PolarHBondContact O-N 3.34Å; S300-L303 WeakPolarHBondContact OG-CD1 3.48Å; S300-L303 WeakPolarHBondContact OG-CG 3.41Å; L303-K305 PolarHBondContact O-N 3.04Å; L303-K305 VanDerWaalsContact O-N 3.13Å; L303-V306 HydrophobicContact CD2-CG2 4.33Å; L303-V306 WeakPolarHBondContact O-CB 3.42Å; L303-V306 PolarHBondContact O-N 2.84Å; L303-F307 HydrophobicContact CB-CE2 4.33Å; L303-F307 VanDerWaalsContact O-CD2 3.26Å; L303-F307 WeakPolarHBondContact O-CD2 3.38Å; L303-F307 PolarHBondContact O-N 3.12Å
304E65.1Low55.6Low84 Ų84124.6 Ų124.639%0.39367%0.673SS.*Hα-helixtrans-48.9-40171.6-72.6175.3-138.300111.8I299 S300 P301 V306 F307 I308I299-E304 HydrophobicContact CD1-CB 4.4Å; I299-E304 HydrophobicContact CD1-CG 3.79Å; I299-E304 HydrophobicContact CG1-CG 3.84Å; S300-E304 PolarHBondContact O-N 2.84Å; P301-E304 VanDerWaalsContact CA-OE1 3.28Å; P301-E304 WeakPolarHBondContact CA-OE1 3.25Å; E304-V306 PolarHBondContact O-N 3.23Å; E304-F307 PolarHBondContact O-N 3.14Å; E304-I308 VanDerWaalsContact O-CG1 3.31Å; E304-I308 WeakPolarHBondContact O-CG1 3.37Å; E304-I308 PolarHBondContact O-N 3.26Å
305K61.2Low55.7Low171 Ų171127.6 Ų127.674%0.74367%0.674SS**Hα-helixtrans-73-11.7179.9-56.3-179.8-172.2177.30114.4L303L303-K305 PolarHBondContact O-N 3.04Å; L303-K305 VanDerWaalsContact O-N 3.13Å
306V61.3Low55.1Low101 Ų101129.3 Ų129.361%0.61268%0.678SS**Hα-helixtrans-90-27.9175.1-173.60000110.7L303 E304L303-V306 HydrophobicContact CD2-CG2 4.33Å; L303-V306 WeakPolarHBondContact O-CB 3.42Å; L303-V306 PolarHBondContact O-N 2.84Å; E304-V306 PolarHBondContact O-N 3.23Å
307F56Low54.8Low143 Ų143129.7 Ų129.763%0.62768%0.68SS**Hα-helixtrans-100.4-19.9-177.8-63.5-66.9000114.2I299 L303 E304 K309I299-F307 HydrophobicContact CD1-CD2 4.2Å; L303-F307 HydrophobicContact CB-CE2 4.33Å; L303-F307 VanDerWaalsContact O-CD2 3.26Å; L303-F307 WeakPolarHBondContact O-CD2 3.38Å; L303-F307 PolarHBondContact O-N 3.12Å; E304-F307 PolarHBondContact O-N 3.14Å; F307-K309 VanDerWaalsContact C-N 3.25Å; F307-K309 PolarHBondContact O-N 2.88Å
308I56.3Low53.7Low126 Ų126125.9 Ų125.965%0.64668%0.675SS**  trans-74.782.5166.5-60.9164.6000108.6E304 E310E304-I308 VanDerWaalsContact O-CG1 3.31Å; E304-I308 WeakPolarHBondContact O-CG1 3.37Å; E304-I308 PolarHBondContact O-N 3.26Å; I308-E310 PolarHBondContact O-N 2.98Å
309K49.4Very low52.6Low182 Ų182131.5 Ų131.579%0.79168%0.68SS**  trans-68.1108.5163.9177.4171.4178.2173.60108.3F307 N311F307-K309 VanDerWaalsContact C-N 3.25Å; F307-K309 PolarHBondContact O-N 2.88Å; K309-N311 PolarHBondContact O-N 2.97Å; K309-N311 VanDerWaalsContact O-N 3.07Å
310E48.8Very low52.1Low144 Ų144132.3 Ų132.367%0.67369%0.691SS**  trans-52.9112.5171.5-176.4170.6-144.200109.9I308 N312I308-E310 PolarHBondContact O-N 2.98Å; E310-N312 HydrophobicContact CG-CB 4.19Å; E310-N312 VanDerWaalsContact CG-CG 3.42Å; E310-N312 WeakPolarHBondContact CG-ND2 3.36Å; E310-N312 WeakPolarHBondContact CG-OD1 3.45Å; E310-N312 PolarHBondContact OE1-ND2 2.93Å
311N45.9Very low50.7Low148 Ų148137.8 Ų137.879%0.79172%0.716SS**  trans-103.844.1-174.960-13.7000111.4K309 G313K309-N311 PolarHBondContact O-N 2.97Å; K309-N311 VanDerWaalsContact O-N 3.07Å; N311-G313 VanDerWaalsContact C-N 3.26Å; N311-G313 PolarHBondContact O-N 3.34Å
312N39.9Very low49.5Very low111 Ų111140.4 Ų140.459%0.59473%0.725SS**  trans-71.778.5178.1-67.40.2000110.8E310 K314E310-N312 HydrophobicContact CG-CB 4.19Å; E310-N312 VanDerWaalsContact CG-CG 3.42Å; E310-N312 WeakPolarHBondContact CG-ND2 3.36Å; E310-N312 WeakPolarHBondContact CG-OD1 3.45Å; E310-N312 PolarHBondContact OE1-ND2 2.93Å; N312-K314 PolarHBondContact O-N 3.32Å
313G41Very low48.7Very low81 Ų81140 Ų14084%0.83573%0.727SS**  trans-64.5103.8176.400000112.1N311N311-G313 VanDerWaalsContact C-N 3.26Å; N311-G313 PolarHBondContact O-N 3.34Å
314K37.8Very low48.2Very low186 Ų186141.6 Ų141.681%0.80974%0.741SS**  trans-157.991.7154.544.4-178.5176.3179.10110.3N312N312-K314 PolarHBondContact O-N 3.32Å
315E45.2Very low48.1Very low190 Ų190143.3 Ų143.389%0.88875%0.754SS**  trans25103.4133-172.8172.7-151.600117.3
316E37.3Very low47.8Very low181 Ų181139 Ų13985%0.84676%0.758SS**  -144.4140.4129.8-164169.5-160.600109
317V45.6Very low47.7Very low131 Ų131144.5 Ų144.579%0.79477%0.767SS**  trans-83.6120.4-175.91730000110.1
318S40.5Very low48.1Very low116 Ų116148.3 Ų148.381%0.81178%0.778SS**  trans-123.9141.7168.3-77.90000110.9
319K37.9Very low48Very low188 Ų188146.1 Ų146.182%0.81778%0.778SS**  trans-81.8160.1-165.2-64.8172.7-176.7175.20112.1
320P53.7Low48.6Very low113 Ų113143.5 Ų143.573%0.73478%0.78SS**  trans-67.5176.2163.532.4-37000111.6
321L43.1Very low48.6Very low164 Ų164143.7 Ų143.786%0.85979%0.785SS**  trans74.1138.2-160-64.570.5000111.4
322D41.4Very low49.3Very low146 Ų146142.4 Ų142.478%0.78178%0.784SS**  cis-133.7161.93.1-170.418.9000110.6P324D322-P324 WeakPolarHBondContact O-CD 3.26Å
323I48.8Very low49.5Very low152 Ų152141.2 Ų141.278%0.77979%0.79SS**  trans-82.7114.5-180-58.7175.6000109.1D325I323-D325 PolarHBondContact O-N 3.4Å
324P55.3Low49.5Very low115 Ų115145.8 Ų145.875%0.74779%0.789SS**  trans-68.6124.6177.828.1-33.7000110.6D322 G326D322-P324 WeakPolarHBondContact O-CD 3.26Å; P324-G326 PolarHBondContact O-N 3.31Å; P324-G326 VanDerWaalsContact O-N 3.14Å
325D62.8Low49.5Very low121 Ų121147 Ų14765%0.64779%0.79SS**  trans-53.5118.5174.717529.3000110.8I323 R327I323-D325 PolarHBondContact O-N 3.4Å; D325-R327 PolarHBondContact O-N 2.9Å; D325-R327 WeakPolarHBondContact OD1-CD 3.31Å; D325-R327 VanDerWaalsContact OD1-CG 3.29Å; D325-R327 WeakPolarHBondContact OD1-CG 3.42Å; D325-R327 IonicContact OD1-NE 2.6Å
326G55.6Low49.1Very low81 Ų81148.2 Ų148.284%0.83579%0.787SS**THydrogen-bonded Turntrans-72.529.4-171.500000115P324P324-G326 PolarHBondContact O-N 3.31Å; P324-G326 VanDerWaalsContact O-N 3.14Å
327R60.1Low48.9Very low215 Ų215144.2 Ų144.281%0.81178%0.779SS**THydrogen-bonded Turntrans-115.74.9-169.6-66.3-179.9173.8-79.2-2114.7D325D325-R327 PolarHBondContact O-N 2.9Å; D325-R327 WeakPolarHBondContact OD1-CD 3.31Å; D325-R327 VanDerWaalsContact OD1-CG 3.29Å; D325-R327 WeakPolarHBondContact OD1-CG 3.42Å; D325-R327 IonicContact OD1-NE 2.6Å
328R64.3Low48.5Very low223 Ų223142.9 Ų142.984%0.84278%0.776SS**SBendtrans-118.9118.7170.9-157.8170.5-167.8163.73.9111.1
329A53.6Low48.4Very low80 Ų80142.8 Ų142.866%0.66178%0.775SS**PPolyproline II helixtrans-62.9144.7175.100000111L331A329-L331 PolarHBondContact O-N 3.45Å
330P61.3Low48.8Very low128 Ų128140.2 Ų140.283%0.83178%0.775SS**PPolyproline II helixtrans-56.5133.5173.4-24.534.4000111.4
331L48.4Very low48.4Very low148 Ų148146.3 Ų146.378%0.77578%0.783SS**PPolyproline II helixtrans-66137.5172.8-65.7175.4000109.5A329 A333A329-L331 PolarHBondContact O-N 3.45Å; L331-A333 PolarHBondContact O-N 2.92Å
332P61.6Low48.5Very low120 Ų120143.7 Ų143.778%0.77978%0.779SS**PPolyproline II helixtrans-56.5126.1178.5-26.835.2000112H334P332-H334 PolarHBondContact O-N 2.95Å
333A45.2Very low48.6Very low86 Ų86144.3 Ų144.371%0.71178%0.78SS**  trans-6111317800000110.1L331 Y335L331-A333 PolarHBondContact O-N 2.92Å; A333-Y335 PolarHBondContact O-N 3.48Å
334H40.1Very low48Very low177 Ų177143.5 Ų143.582%0.81978%0.778SS**  trans-75.987.1-171.1-164.187.2000110.8P332 R336P332-H334 PolarHBondContact O-N 2.95Å; H334-R336 VanDerWaalsContact C-N 3.28Å; H334-R336 PolarHBondContact O-N 3.32Å
335Y38Very low47.2Very low212 Ų212143 Ų14383%0.83177%0.773SS**  trans-66.982.4179.8-104.7-82.3000112.1A333 S337A333-Y335 PolarHBondContact O-N 3.48Å; Y335-S337 VanDerWaalsContact C-N 3.31Å; Y335-S337 PolarHBondContact O-N 3.36Å
336R35.9Very low45.9Very low215 Ų215145.3 Ų145.381%0.81178%0.78SS**  trans-70.681.6171.8-175.6-166.1-117.2-841.4110.5H334H334-R336 VanDerWaalsContact C-N 3.28Å; H334-R336 PolarHBondContact O-N 3.32Å
337S33.9Very low45Very low98 Ų98147.5 Ų147.569%0.68578%0.777SS**  trans-118.6101.1167.4-70.90000109.9Y335 S339Y335-S337 VanDerWaalsContact C-N 3.31Å; Y335-S337 PolarHBondContact O-N 3.36Å; S337-S339 PolarHBondContact O-N 2.96Å
338S37.4Very low44Very low103 Ų103143.3 Ų143.372%0.7278%0.778SS**  trans-62.4122.2-179.6-59.50000111.8
339S38.5Very low42.8Very low113 Ų113138 Ų13879%0.7978%0.775SS**  trans-117.993169.9-170.70000109.7S337 R341S337-S339 PolarHBondContact O-N 2.96Å; S339-R341 PolarHBondContact O-N 3.37Å
340T46.2Very low41.8Very low135 Ų135140.3 Ų140.383%0.82878%0.78SS**  trans-81.498.7-179.648.60000110.8
341R45.2Very low40.5Very low240 Ų240142.3 Ų142.391%0.90678%0.778SS**  trans-135.7137.4161.9-59.9-159.580-172.82.9110.8S339S339-R341 PolarHBondContact O-N 3.37Å
342S44.4Very low39.7Very low109 Ų109142 Ų14276%0.76277%0.773SS**  trans-116.3135.3-168.452.10000112.4
343I43.2Very low38.4Very low159 Ų159147 Ų14782%0.81578%0.776SS**  trans-177.8114.4152.4-121.666.8000103.5
344D37.5Very low38.3Very low136 Ų136148.5 Ų148.573%0.72778%0.782SS**  65.8109.158.9-156.732.5000111.2
345T38.9Very low38.2Very low105 Ų105145.5 Ų145.564%0.64478%0.781SS**  -164.4164.559.145.40000113.3
346Q33.8Very low38.2Very low169 Ų169140.9 Ų140.979%0.7978%0.779SS**  trans69.396.4156.8-45-140.325.500122.1
347T38.2Very low38Very low127 Ų127136.1 Ų136.178%0.77978%0.778SS**  20.5156.2121.840.10000123.1
348P39Very low38Very low127 Ų127136.7 Ų136.783%0.82578%0.782SS**  cis-129.7174.224.140.9-24.8000117.4
349S38.7Very low38.1Very low111 Ų111136.1 Ų136.178%0.77678%0.778SS**  trans-96.1152.7-176.266.30000114.6
350V31.6Very low37.9Very low128 Ų128139 Ų13978%0.77678%0.778SS**  trans-141.6117.2159.6-177.20000109.7
351Q35.8Very low37.7Very low170 Ų170137.3 Ų137.379%0.79477%0.772SS**  trans45.9130.5139-157.5171.7-4.200120
352E31.1Very low38.2Very low142 Ų142131.3 Ų131.366%0.66476%0.764SS**  cis-166.9176.3-8.8-136.4-160.7167.200110.7
353R33.8Very low37.6Very low224 Ų224132 Ų13285%0.84577%0.767SS**  trans70.6135.9150.8-76.3163.6171.7-124.8-14.3121.3
354S42.1Very low37Very low119 Ų119130.6 Ų130.683%0.83277%0.766SS**  trans-121.2148.5179.2-44.90000112.4
355S38.5Very low37Very low114 Ų114129 Ų12980%0.79777%0.765SS**  trans-161.9137.9153.847.10000108.1
356S38.2Very low37.3Very low114 Ų114129.2 Ų129.280%0.79777%0.769SS**  cis83.4142.819.6-58.20000116.9
357C31Very low37.2Very low116 Ų116130.2 Ų130.278%0.78477%0.771SS**  trans76.1116.8-168.3-142.30000112.6
358S35Very low37.1Very low110 Ų110129 Ų12977%0.76977%0.766SS**  cis101.9144.730.7-660000113.3
359S38.9Very low37.5Very low90 Ų90128.4 Ų128.463%0.62976%0.763SS**  trans136.2125.7131.6-67.40000117.7
360H35.5Very low38Very low173 Ų173128 Ų12880%0.80176%0.758SS**  trans61.1151.3144.7-60.8-48.6000121
361S41.8Very low37.9Very low101 Ų101130.7 Ų130.771%0.70676%0.762SS**  cis-163.7172.7-14.8-101.10000110.7
362P56.1Low38.1Very low113 Ų113128.5 Ų128.573%0.73477%0.765SS**  trans-113.6-167.4-162.943.7-36.7000116.8
363C31.5Very low38.5Very low123 Ų123130 Ų13083%0.83177%0.772SS**  trans77.4150.9173.188.80000116.3
364V30.1Very low38.6Very low131 Ų131127 Ų12779%0.79477%0.773SS**  cis-135.1161.542.31690000113.5
365S36.5Very low38.3Very low101 Ų101125.2 Ų125.271%0.70677%0.773SS**  trans-142.5149.5165.2175.60000110.6
366P46.5Very low38Very low110 Ų110125.5 Ų125.571%0.71478%0.775SS**  trans-140.6130.6142.936.1-21000115.7
367F31.1Very low38.9Very low191 Ų191125.2 Ų125.284%0.83877%0.77SS**  -0.8150.5122.6-78.3-105.9000117.1
368C36.5Very low38.8Very low101 Ų101125.3 Ų125.368%0.68277%0.771SS**  cis177.5-168.5-3.5-1230000107.8
369P47.2Very low39Very low115 Ų115125.6 Ų125.675%0.74777%0.773SS**  cis-126.6-124.4-21.837.1-12.7000111.9
370P48.8Very low38.9Very low103 Ų103127 Ų12767%0.66978%0.778SS**  trans-133-154.5-14336.6-8.2000116
371E30.5Very low39.2Very low184 Ų184127.2 Ų127.286%0.8678%0.779SS**  trans77.2109.3162.1-67.3178.193.800120.9
372S38.9Very low39.2Very low123 Ų123128.9 Ų128.986%0.8678%0.78SS**  -159.4139.2122.259.60000111
373Q40.8Very low38.5Very low175 Ų175129.2 Ų129.282%0.81878%0.775SS**  trans-100.2177.4172.1-81.9-169.4-73.700111.3
374D36.1Very low39.2Very low161 Ų161131 Ų13186%0.86178%0.776SS**  trans76146.8159.4-56.3-38.5000119.4
375G34.2Very low39.5Very low81 Ų81133.5 Ų133.584%0.83577%0.772SS**  trans136.486.7177.800000114.3
376S33.2Very low39.6Very low119 Ų119136.3 Ų136.383%0.83278%0.779SS**  trans-98.9-178.6169-134.40000110.1
377P56Low39.3Very low108 Ų108139.5 Ų139.570%0.70178%0.777SS**  -124.8-160.6-122.933.1-10.4000114.7
378C30.4Very low39.7Very low119 Ų119137.4 Ų137.480%0.80477%0.774SS**  trans101.1162.2158.4-60.70000119.4
379S38.4Very low40Very low115 Ų115139.5 Ų139.580%0.80477%0.772SS**  trans94.1137.6-178.8-69.20000117
380T37.3Very low39.4Very low120 Ų120141.6 Ų141.674%0.73678%0.777SS**  cis-162.8165.3-10.9-93.50000109.6
381E40.9Very low39.3Very low178 Ų178141.7 Ų141.783%0.83278%0.78SS**  trans94.9124.3173.6102.9-171.217500114.8
382D41.7Very low39.8Very low136 Ų136136.1 Ų136.173%0.72777%0.772SS**  cis69.4125.5-3.2-142.940.5000116.5
383L42.4Very low39.8Very low120 Ų120136.2 Ų136.263%0.62877%0.773SS**  cis-124.6166.516.4-71.4157.4000110.1Y385L383-Y385 HydrophobicContact CD2-CE2 4.27Å
384L46.5Very low40.1Very low161 Ų161133.4 Ų133.484%0.84377%0.773SS**  cis-154.6163.749.6-83.4165.8000112.6
385Y35.4Very low40.5Very low182 Ų182130.4 Ų130.471%0.71476%0.764SS**  trans-81.1138.2-180-60.3-97.6000113.5L383L383-Y385 HydrophobicContact CD2-CE2 4.27Å
386D39.2Very low41Very low161 Ų161132.6 Ų132.686%0.86176%0.764SS**  -130.4148.7110.9-166.814000109.2
387R38.8Very low41.8Very low177 Ų177134.4 Ų134.467%0.66876%0.763SS**  trans-146.769.8-169.6-177.7-146.257.8-155.9-14109.8K389R387-K389 HydrophobicContact CG-CG 4.1Å
388D39.7Very low41.6Very low146 Ų146134.4 Ų134.478%0.78176%0.763SS**  trans-74.9143.3150.7-154.9-73.1000109.5
389K42.8Very low43Very low146 Ų146137.7 Ų137.764%0.63576%0.764SS**  trans-13538-146.3-136.1-58.6-177.9-173.20114.8R387R387-K389 HydrophobicContact CG-CG 4.1Å
390D36.4Very low43.8Very low159 Ų159142.5 Ų142.585%0.8577%0.766SS**  trans-84.3137.6169.5-97.4-39000113.6
391S45.6Very low44.6Very low104 Ų104141.1 Ų141.173%0.72777%0.766SS**  trans-98.6115.3-166.8-60.30000111.8
392G40.3Very low45.2Very low68 Ų68137.7 Ų137.770%0.70176%0.762SS**  trans-129.712.3-161.400000118.9
393S39.6Very low45.7Very low124 Ų124136.7 Ų136.787%0.86777%0.766SS**  trans66.6146.2178.579.70000117.6
394S46.7Very low46.4Very low117 Ų117134.9 Ų134.982%0.81876%0.761SS**  trans-102.1119.9175.853.60000111.8
395S44.9Very low47.2Very low98 Ų98135.4 Ų135.469%0.68576%0.757SS**  trans-170.4147.2148.1500000111.2L397S395-L397 PolarHBondContact O-N 2.86Å
396P45.9Very low48.4Very low127 Ų127133.7 Ų133.783%0.82577%0.768SS**  trans-76.1111.3177.829.6-33000111
397L48.8Very low49.2Very low157 Ų157133.9 Ų133.982%0.82277%0.769SS**  trans-58.7131.2172.5-83.9162.7000111.4S395 K399S395-L397 PolarHBondContact O-N 2.86Å; L397-K399 PolarHBondContact O-N 2.89Å
398P52.6Low50Low107 Ų107130.9 Ų130.970%0.69577%0.766SS**  trans-59.2122172.6-24.534.5000111.2Y400P398-Y400 PolarHBondContact O-N 3.49Å
399K58.5Low51.1Low189 Ų189129 Ų12982%0.82277%0.765SS**SBendtrans-69.312.4-171.6-64.8-174.4177.9178.70115.7L397L397-K399 PolarHBondContact O-N 2.89Å
400Y55.8Low52.1Low216 Ų216129.8 Ų129.885%0.84777%0.765SS**SBendtrans-13646.5-170.9-60.1-72.9000113.3P398P398-Y400 PolarHBondContact O-N 3.49Å
401A54.5Low53.4Low90 Ų90129.4 Ų129.474%0.74476%0.759SS**  trans-138.427.8-179.800000114.8
402S52.2Low54.1Low107 Ų107131.6 Ų131.675%0.74876%0.756SS**  trans-116.496.2172.258.10000110.9
403S52.2Low55.4Low114 Ų114137.3 Ų137.380%0.79776%0.762SS**PPolyproline II helixtrans-54.1132.3171.9-58.50000110.1K405S403-K405 PolarHBondContact O-N 3.29Å
404P59.1Low56.8Low82 Ų82142.3 Ų142.353%0.53276%0.762SS.*PPolyproline II helixtrans-58.4130.9178.122.6-31.8000109.7
405K62.3Low58Low172 Ų172144.6 Ų144.675%0.74876%0.76SS**PPolyproline II helixtrans-57.5143.1175.8-73.5165.9179167.80108.4S403 N407 N408S403-K405 PolarHBondContact O-N 3.29Å; K405-N407 PolarHBondContact O-N 2.85Å; K405-N408 PolarHBondContact O-N 3.39Å
406P59.9Low59.6Low146 Ų146144.1 Ų144.195%0.94875%0.754SS**THydrogen-bonded Turntrans-65.81.9-166.525.4-36000116
407N57.3Low61.1Low165 Ų165142.7 Ų142.788%0.88275%0.745SS**THydrogen-bonded Turntrans-128.634.4171.9-160.57.4000111.9K405K405-N407 PolarHBondContact O-N 2.85Å
408N54.5Low62.4Low114 Ų114145 Ų14561%0.6175%0.751SS**  trans-148.183167-164.7-28.8000109.4K405 Y410K405-N408 PolarHBondContact O-N 3.39Å; N408-Y410 VanDerWaalsContact C-N 3.27Å; N408-Y410 PolarHBondContact O-N 2.92Å
409S63.2Low63Low108 Ų108143.5 Ų143.576%0.75576%0.755SS**  trans-74.478.7177.857.80000110.5M411S409-M411 VanDerWaalsContact C-N 3.34Å; S409-M411 PolarHBondContact O-N 3.43Å
410Y63.3Low63.3Low162 Ų162138.4 Ų138.464%0.63574%0.742SS**  trans-60.2100.5164.9-175.9-98.3000108.1N408 F412N408-Y410 VanDerWaalsContact C-N 3.27Å; N408-Y410 PolarHBondContact O-N 2.92Å; Y410-F412 HydrophobicContact CD1-CD2 4.09Å; Y410-F412 HydrophobicContact CD1-CE2 4.18Å; Y410-F412 HydrophobicContact CD1-CG 4.37Å; Y410-F412 HydrophobicContact CE1-CD1 4.44Å; Y410-F412 HydrophobicContact CE1-CG 4.46Å; Y410-F412 PolarHBondContact O-N 3.49Å
411M64.5Low64.3Low150 Ų150135.9 Ų135.974%0.73974%0.738SS**  trans-63.6107.3171.7-68.9-165.3-65.800107.1S409 K413S409-M411 VanDerWaalsContact C-N 3.34Å; S409-M411 PolarHBondContact O-N 3.43Å; M411-K413 PolarHBondContact O-N 3.08Å
412F60.7Low64.9Low150 Ų150143.1 Ų143.166%0.65875%0.746SS**  trans-59.792.7162.6-83.3-92000107.6Y410 R414Y410-F412 HydrophobicContact CD1-CD2 4.09Å; Y410-F412 HydrophobicContact CD1-CE2 4.18Å; Y410-F412 HydrophobicContact CD1-CG 4.37Å; Y410-F412 HydrophobicContact CE1-CD1 4.44Å; Y410-F412 HydrophobicContact CE1-CG 4.46Å; Y410-F412 PolarHBondContact O-N 3.49Å; F412-R414 HydrophobicContact CB-CG 4.46Å; F412-R414 PolarHBondContact O-N 3.09Å
413K66.4Low65.5Low189 Ų189143.5 Ų143.582%0.82274%0.744SS**  trans-62.787.9156.3-71.9-165180-172.10105.6M411 E415M411-K413 PolarHBondContact O-N 3.08Å; K413-E415 PolarHBondContact O-N 2.87Å
414R69.6Low66.1Low228 Ų228145.1 Ų145.186%0.8674%0.736SS**  trans-61.8111.1165.4-56-174.479.8149.94.3104.4F412F412-R414 HydrophobicContact CB-CG 4.46Å; F412-R414 PolarHBondContact O-N 3.09Å
415E72.1Confident66Low166 Ų166147.5 Ų147.578%0.77675%0.749SS**PPolyproline II helixtrans-49.7138162.5-171.4162.3-155.300107.7K413K413-E415 PolarHBondContact O-N 2.87Å
416P77.4Confident65.1Low88 Ų88147.4 Ų147.457%0.57175%0.749SS**PPolyproline II helixtrans-50.9132.7172.1-25.335.3000108.7E418 C420P416-E418 PolarHBondContact O-N 2.93Å; P416-C420 HydrophobicContact CB-CB 3.57Å
417P78.1Confident64.9Low96 Ų96148.1 Ų148.162%0.62374%0.74SS**PPolyproline II helixtrans-48.7139-178.3-29.334.8000111.8G419 C420P417-G419 PolarHBondContact O-N 3.2Å; P417-G419 VanDerWaalsContact O-N 3.16Å; P417-C420 VanDerWaalsContact O-CB 3.31Å; P417-C420 WeakPolarHBondContact O-CB 3.35Å; P417-C420 PolarHBondContact O-N 2.9Å
418E76.4Confident64.6Low206 Ų206147.2 Ų147.296%0.96373%0.731SS**THydrogen-bonded Turntrans-52.9124.4176-66.2-178.1124.700109.4P416P416-E418 PolarHBondContact O-N 2.93Å
419G64.8Low64.2Low75 Ų75149.4 Ų149.477%0.77374%0.739SS**THydrogen-bonded Turntrans107.4-11.4-165.100000115P417 E421P417-G419 PolarHBondContact O-N 3.2Å; P417-G419 VanDerWaalsContact O-N 3.16Å; G419-E421 PolarHBondContact O-N 3.26Å
420C64.4Low63.4Low82 Ų82149.4 Ų149.455%0.55475%0.745SS**  trans-76.248.1166-74.30000112.3P416 P417P416-C420 HydrophobicContact CB-CB 3.57Å; P417-C420 VanDerWaalsContact O-CB 3.31Å; P417-C420 WeakPolarHBondContact O-CB 3.35Å; P417-C420 PolarHBondContact O-N 2.9Å
421E76.5Confident62.8Low164 Ų164145.9 Ų145.977%0.76675%0.745SS**  trans-65.1143172.962.7176.6-173.300111.1G419 V423G419-E421 PolarHBondContact O-N 3.26Å; E421-V423 PolarHBondContact O-N 3.01Å; E421-V423 VanDerWaalsContact O-N 3.1Å
422R68.6Low61.7Low241 Ų241149.6 Ų149.691%0.90975%0.75SS**  trans-75.8101.2173.9-71172.759.2-161.5-3107.8K424R422-K424 PolarHBondContact O-N 3.44Å
423V64.9Low60.7Low115 Ų115150.5 Ų150.570%0.69776%0.757SS**  trans-44.7110.4172.8179.70000109E421 V425E421-V423 PolarHBondContact O-N 3.01Å; E421-V423 VanDerWaalsContact O-N 3.1Å; V423-V425 PolarHBondContact O-N 3.43Å
424K64.1Low59.6Low148 Ų148147.5 Ų147.564%0.64376%0.757SS**  trans-70.499.7177.9-172.5-174.9176.6-166.10106.8R422 F426 E427R422-K424 PolarHBondContact O-N 3.44Å; K424-F426 PolarHBondContact O-N 2.83Å; K424-E427 IonicContact NZ-OE2 2.66Å; K424-E427 PolarHBondContact NZ-OE2 2.83Å
425V56.2Low58.5Low132 Ų132143.9 Ų143.980%0.875%0.753SS**  trans-50.5127.6172.1178.30000107.8V423 E427V423-V425 PolarHBondContact O-N 3.43Å; V425-E427 PolarHBondContact O-N 3.26Å
426F44.8Very low57.9Low170 Ų170141.4 Ų141.475%0.74675%0.754SS**  trans-63.8129.8-160.7-78.7-107.1000111.8K424 E428K424-F426 PolarHBondContact O-N 2.83Å; F426-E428 HydrophobicContact CB-CB 4.34Å; F426-E428 PolarHBondContact O-N 3.37Å
427E56.1Low56.3Low161 Ų161141.5 Ų141.575%0.75276%0.762SS**  trans-82.262.5173.4-169.1175.5173.200108.9K424 V425K424-E427 IonicContact NZ-OE2 2.66Å; K424-E427 PolarHBondContact NZ-OE2 2.83Å; V425-E427 PolarHBondContact O-N 3.26Å
428E50.7Low54.9Low147 Ų147142.7 Ų142.769%0.68777%0.769SS**  trans-116.676.9-174.5-168.1-173.6159.600110.9F426F426-E428 HydrophobicContact CB-CB 4.34Å; F426-E428 PolarHBondContact O-N 3.37Å
429M44.8Very low53.7Low159 Ų159140.6 Ų140.678%0.78376%0.764SS**  trans-170.189.5133.7-138.561.97300111.2
430A47.9Very low53Low108 Ų108146.8 Ų146.889%0.89377%0.77SS**  trans-106.351.6177.800000112.9
431S48.9Very low52.3Low89 Ų89147.6 Ų147.662%0.62278%0.777SS**  trans-166159.315763.60000113.4
432R42.2Very low51.2Low228 Ų228145.5 Ų145.586%0.8678%0.779SS**SBendtrans79.793.5168.9-55-177.8-177-82.4-5.1118.1
433Q39.3Very low51Low168 Ų168138.3 Ų138.379%0.78576%0.763SS**  trans49.9123.2141.5-59.2-60.9-12.700120.4I435Q433-I435 PolarHBondContact O-N 2.79Å
434P43.6Very low50.6Low127 Ų127136.7 Ų136.783%0.82575%0.751SS**  trans-80106.6177.732.9-33.2000112.1
435I47.2Very low50.6Low151 Ų151138.3 Ų138.377%0.77476%0.758SS**  trans-122114.3166.5-61.8-178.9000109Q433Q433-I435 PolarHBondContact O-N 2.79Å
436S58.5Low51Low115 Ų115138.8 Ų138.880%0.80476%0.756SS**  trans5.8104.1172.859.50000118.8
437A43.3Very low52Low89 Ų89139.1 Ų139.174%0.73676%0.757SS**  trans-99.2148.3147.600000109
438P49.4Very low52.3Low121 Ų121134.3 Ų134.379%0.78674%0.739SS**  trans-69.9136.4-17027.3-34.8000112.8F440P438-F440 PolarHBondContact O-N 3.03Å; P438-F440 VanDerWaalsContact O-N 3.1Å
439L52.3Low52.5Low162 Ų162134.8 Ų134.885%0.84875%0.746SS**  trans-64.5108.8170.3-69.2171000109.6S441L439-S441 VanDerWaalsContact C-N 3.27Å; L439-S441 PolarHBondContact O-N 3.45Å
440F49.5Very low53.2Low205 Ų205134.9 Ų134.990%0.89974%0.742SS**  trans-75.885.6167.9-133.3-82.1000108.4P438 C442P438-F440 PolarHBondContact O-N 3.03Å; P438-F440 VanDerWaalsContact O-N 3.1Å; F440-C442 PolarHBondContact O-N 3.47Å
441S50.4Low53.5Low100 Ų100136.3 Ų136.370%0.69973%0.733SS**  trans-60.996-171.6-60.40000112.6L439 P443L439-S441 VanDerWaalsContact C-N 3.27Å; L439-S441 PolarHBondContact O-N 3.45Å; S441-P443 WeakPolarHBondContact O-CD 3.39Å
442C53.1Low53.9Low120 Ų120137.9 Ų137.981%0.81174%0.742SS**  trans-57.3122.9162.9-61.10000108.6F440F440-C442 PolarHBondContact O-N 3.47Å
443P63.1Low54.6Low89 Ų89133.3 Ų133.358%0.57874%0.739SS**  trans-60.4143.4-177.9-24.734.4000112.2S441 K445 V448S441-P443 WeakPolarHBondContact O-CD 3.39Å; P443-K445 PolarHBondContact O-N 2.87Å; P443-K445 VanDerWaalsContact O-N 3.1Å; P443-V448 HydrophobicContact CB-CG2 3.72Å
444D58.1Low55.5Low82 Ų82128.3 Ų128.344%0.43973%0.732SS.*  trans-59.9115.7176.4176.310.8000110.4N446 K447 V448D444-N446 PolarHBondContact O-N 2.95Å; D444-N446 VanDerWaalsContact O-N 3.12Å; D444-N446 PolarHBondContact OD1-N 3.32Å; D444-K447 HydrophobicContact CB-CB 4.28Å; D444-K447 PolarHBondContact O-N 3.02Å; D444-K447 WeakPolarHBondContact OD2-CG 3.28Å; D444-V448 PolarHBondContact O-N 3.02Å
445K63.6Low56.3Low182 Ų182126.1 Ų126.179%0.79172%0.72SS**THydrogen-bonded Turntrans-58.7-20.1178.765.2-170.9178.6-174.90113.7P443P443-K445 PolarHBondContact O-N 2.87Å; P443-K445 VanDerWaalsContact O-N 3.1Å
446N63.7Low56.9Low142 Ų142123.8 Ų123.876%0.75972%0.723SS**THydrogen-bonded Turntrans-90.30.8174.3-76.519.2000113.5D444D444-N446 PolarHBondContact O-N 2.95Å; D444-N446 VanDerWaalsContact O-N 3.12Å; D444-N446 PolarHBondContact OD1-N 3.32Å
447K65.5Low56.7Low177 Ų177127.3 Ų127.377%0.7773%0.725SS**THydrogen-bonded Turntrans-126.5-4.3-179.8-70.3-169.7178.3-1700115.6D444D444-K447 HydrophobicContact CB-CB 4.28Å; D444-K447 PolarHBondContact O-N 3.02Å; D444-K447 WeakPolarHBondContact OD2-CG 3.28Å
448V62.8Low57.2Low60 Ų60127.6 Ų127.636%0.36472%0.72SS.*  trans-117.6104.8176.7-174.20000110.7P443 D444 F450P443-V448 HydrophobicContact CB-CG2 3.72Å; D444-V448 PolarHBondContact O-N 3.02Å; V448-F450 HydrophobicContact CB-CD2 4.14Å; V448-F450 HydrophobicContact CB-CE2 3.8Å; V448-F450 HydrophobicContact CB-CZ 4.49Å; V448-F450 HydrophobicContact CG1-CD2 3.76Å; V448-F450 HydrophobicContact CG1-CE1 4.37Å; V448-F450 HydrophobicContact CG1-CE2 3.5Å; V448-F450 HydrophobicContact CG1-CG 4.31Å; V448-F450 HydrophobicContact CG1-CZ 3.83Å; V448-F450 WeakPolarHBondContact O-CD2 3.21Å; V448-F450 PolarHBondContact O-N 3.23Å
449N55.8Low57.1Low156 Ų156127.2 Ų127.283%0.83472%0.718SS**  trans-71.289.8169.6-74.9-53.3000109.8I451N449-I451 PolarHBondContact O-N 2.6Å; N449-I451 VanDerWaalsContact O-N 3.08Å
450F58.6Low57.3Low162 Ų162125.4 Ų125.471%0.71171%0.713SS**  trans-69.7100.2170.1-76.1-85.4000110.1V448 P452V448-F450 HydrophobicContact CB-CD2 4.14Å; V448-F450 HydrophobicContact CB-CE2 3.8Å; V448-F450 HydrophobicContact CB-CZ 4.49Å; V448-F450 HydrophobicContact CG1-CD2 3.76Å; V448-F450 HydrophobicContact CG1-CE1 4.37Å; V448-F450 HydrophobicContact CG1-CE2 3.5Å; V448-F450 HydrophobicContact CG1-CG 4.31Å; V448-F450 HydrophobicContact CG1-CZ 3.83Å; V448-F450 WeakPolarHBondContact O-CD2 3.21Å; V448-F450 PolarHBondContact O-N 3.23Å; F450-P452 WeakPolarHBondContact O-CD 3.45Å
451I54.8Low57.6Low137 Ų137125.2 Ų125.270%0.70371%0.712SS**  trans-87.9110.8164.4-47.4176.3000106.7N449 T453N449-I451 PolarHBondContact O-N 2.6Å; N449-I451 VanDerWaalsContact O-N 3.08Å; I451-T453 VanDerWaalsContact CG2-OG1 3.26Å; I451-T453 WeakPolarHBondContact CG2-OG1 3.45Å; I451-T453 PolarHBondContact O-N 2.9Å
452P56.8Low57.6Low123 Ų123127.9 Ų127.980%0.79972%0.718SS**  trans-81.559.7-172.334.3-36.7000111.9F450 G454F450-P452 WeakPolarHBondContact O-CD 3.45Å; P452-G454 VanDerWaalsContact C-N 3.28Å; P452-G454 PolarHBondContact O-N 3.17Å
453T57.4Low57.6Low131 Ų131130.6 Ų130.680%0.80472%0.723SS**  trans-80.267.6-172.3-38.70000112.7I451I451-T453 VanDerWaalsContact CG2-OG1 3.26Å; I451-T453 WeakPolarHBondContact CG2-OG1 3.45Å; I451-T453 PolarHBondContact O-N 2.9Å
454G58.3Low57.2Low63 Ų63128.8 Ų128.865%0.64972%0.721SS**SBendtrans128168.1164.100000116.2P452P452-G454 VanDerWaalsContact C-N 3.28Å; P452-G454 PolarHBondContact O-N 3.17Å
455S59.4Low56.4Low82 Ų82130.9 Ų130.957%0.57374%0.739SS**  trans-60.4144.7-177.3177.90000113.1F457 C458S455-F457 PolarHBondContact O-N 2.8Å; S455-F457 PolarHBondContact OG-N 3.32Å; S455-C458 WeakPolarHBondContact O-CB 3.47Å; S455-C458 PolarHBondContact O-N 2.77Å
456A60.7Low55.6Low101 Ų101130 Ų13084%0.83574%0.742SS**THydrogen-bonded Turntrans-60.8-3.6174.500000114.9
457F54.8Low54.9Low189 Ų189130.3 Ų130.383%0.82974%0.743SS**THydrogen-bonded Turntrans-10815.3174.3-59.8-76.7000113.6S455 P459S455-F457 PolarHBondContact O-N 2.8Å; S455-F457 PolarHBondContact OG-N 3.32Å; F457-P459 WeakPolarHBondContact O-CD 3.5Å
458C54Low53.9Low95 Ų95127.8 Ų127.864%0.64275%0.745SS**SBendtrans-68118.5166.3-167.30000109.1S455 V460S455-C458 WeakPolarHBondContact O-CB 3.47Å; S455-C458 PolarHBondContact O-N 2.77Å; C458-V460 PolarHBondContact O-N 2.93Å; C458-V460 VanDerWaalsContact O-N 3.13Å
459P47.2Very low52.7Low113 Ų113129.6 Ų129.673%0.73477%0.765SS**  trans-67.9115.7-177.326.7-33.3000110.2F457 K461F457-P459 WeakPolarHBondContact O-CD 3.5Å; P459-K461 PolarHBondContact O-N 2.83Å; P459-K461 VanDerWaalsContact O-N 3.07Å
460V55.1Low51.8Low124 Ų124127.6 Ų127.675%0.75276%0.764SS**  trans-58.8114.6175.5176.80000108.8C458 L462C458-V460 PolarHBondContact O-N 2.93Å; C458-V460 VanDerWaalsContact O-N 3.13Å; V460-L462 VanDerWaalsContact C-N 3.33Å; V460-L462 HydrophobicContact CG1-CD2 4.35Å; V460-L462 PolarHBondContact O-N 3.29Å
461K56.6Low50.8Low201 Ų201127.3 Ų127.387%0.87477%0.77SS**  trans-68.594169.3-70-177.3178.3-179.70108.1P459 L463P459-K461 PolarHBondContact O-N 2.83Å; P459-K461 VanDerWaalsContact O-N 3.07Å; K461-L463 PolarHBondContact O-N 2.9Å; K461-L463 VanDerWaalsContact O-N 3.17Å
462L50.8Low50.4Low157 Ų157128.7 Ų128.782%0.82278%0.778SS**PPolyproline II helixtrans-58.5118.6169.7-65.6176.2000108.4V460V460-L462 VanDerWaalsContact C-N 3.33Å; V460-L462 HydrophobicContact CG1-CD2 4.35Å; V460-L462 PolarHBondContact O-N 3.29Å
463L52.5Low49.8Very low176 Ų176131 Ų13192%0.92178%0.78SS**PPolyproline II helixtrans-63.1143.2168.6-168.162.3000108.1K461K461-L463 PolarHBondContact O-N 2.9Å; K461-L463 VanDerWaalsContact O-N 3.17Å
464G54.5Low49Very low52 Ų52133.1 Ų133.154%0.53679%0.786SS.*PPolyproline II helixtrans-59.6160.2-165.200000115L466G464-L466 PolarHBondContact O-N 2.83Å; G464-L466 VanDerWaalsContact O-N 3.12Å
465P42Very low48.1Very low126 Ų126139.1 Ų139.182%0.81879%0.794SS**PPolyproline II helixtrans-59.7117.5-177.925.2-34.2000111.1L467P465-L467 PolarHBondContact O-N 3.46Å
466L47Very low46.8Very low163 Ų163142.6 Ų142.685%0.85381%0.806SS**  trans-78.999-179.4-162.8154.6000108.8G464G464-L466 PolarHBondContact O-N 2.83Å; G464-L466 VanDerWaalsContact O-N 3.12Å
467L48.3Very low45.5Very low149 Ų149143 Ų14378%0.7880%0.803SS**  trans-75.6130.7173.6-65.6-179.8000109.9P465 A469P465-L467 PolarHBondContact O-N 3.46Å; L467-A469 PolarHBondContact O-N 2.66Å
468P44.5Very low44.9Very low124 Ų124139 Ų13981%0.80580%0.796SS**  trans-75.4115.417228.1-28.4000109.7
469A37.6Very low43.8Very low97 Ų97141.7 Ų141.780%0.80280%0.804SS**  trans-111.2131.6167.500000108.7L467L467-A469 PolarHBondContact O-N 2.66Å
470S36.9Very low43.2Very low115 Ų115142.6 Ų142.680%0.80481%0.812SS**  trans-67.5151.7-165.1-49.70000114.7L472S470-L472 PolarHBondContact O-N 3.27Å
471D38.3Very low42.1Very low155 Ų155139.8 Ų139.883%0.82981%0.809SS**  trans-52.2120.3158-96.6-55.7000110.8
472L45.5Very low41.1Very low166 Ų166139.7 Ų139.787%0.86981%0.812SS**  trans-134.8108.1155.2-79.9-178.8000108.9S470 L474S470-L472 PolarHBondContact O-N 3.27Å; L472-L474 PolarHBondContact O-N 3.21Å
473M44.3Very low40.2Very low171 Ų171137.7 Ų137.784%0.84281%0.811SS**  trans-64.4120.6-178.1-61.5-160.978.200112.1
474L40.3Very low39.4Very low177 Ų177134.2 Ų134.293%0.92780%0.801SS**  trans-135113.9150-76.6-177.9000110.9L472L472-L474 PolarHBondContact O-N 3.21Å
475K40.2Very low38.5Very low188 Ų188136.5 Ų136.582%0.81782%0.815SS**  trans-73.2129.5179.5160-172.8172.1-176.40111
476N32.4Very low38.2Very low155 Ų155138.7 Ų138.783%0.82982%0.819SS**  trans-169.5157.3144.2-91.4-26.5000111.2
477S32.3Very low37.8Very low111 Ų111135.4 Ų135.478%0.77682%0.815SS**  trans-146.3178.6-178.1-40.70000108.2
478P43.3Very low37.2Very low104 Ų104133 Ų13368%0.67582%0.817SS**  cis-136.2-162.9-541.2-22.2000114.1
479N29.5Very low36.8Very low152 Ų152135 Ų13581%0.81382%0.82SS**  trans85.6142.8153-69.4-2.1000122.4
480S35.1Very low37Very low131 Ų131136 Ų13692%0.91682%0.816SS**  trans67.9142.5170.1-141.20000116.8
481G31.8Very low37.2Very low66 Ų66138 Ų13868%0.6882%0.823SS**  cis-163.5167.80.100000112.1
482Q35.2Very low37.3Very low198 Ų198138.9 Ų138.993%0.92582%0.822SS**  trans-68.9139.9-172.5-60.5168.6-8.100113.5
483S32.8Very low37.3Very low115 Ų115139.7 Ų139.780%0.80482%0.822SS**  153.2145.4113.7-169.70000113.7
484S35.3Very low36.9Very low104 Ų104139.6 Ų139.673%0.72782%0.824SS**  trans-62.6144.6161.4177.40000111.9
485A35.2Very low36.7Very low99 Ų99137.2 Ų137.282%0.81882%0.822SS**  trans-148.5128.7154.100000109.5
486L37.4Very low36.3Very low173 Ų173132.3 Ų132.391%0.90681%0.811SS**  trans-89.3132174.7-64.3168.8000109.6
487A36.9Very low36.4Very low93 Ų93135.3 Ų135.377%0.76981%0.811SS**  trans-149.2120.5163.500000110.3
488A35.5Very low36.3Very low99 Ų99135.8 Ų135.882%0.81881%0.809SS**  trans-82.5130.916700000108.9
489L37.3Very low35.6Very low166 Ų166136.5 Ų136.587%0.86982%0.816SS**  trans-108.1132.1169.5-66178.6000109.4
490T42.4Very low35.8Very low118 Ų118138 Ų13872%0.72482%0.816SS**  trans-81.9153.4-171.446.90000112.3E492T490-E492 PolarHBondContact O-N 3.26Å
491V39.9Very low35.7Very low158 Ų158138.2 Ų138.296%0.95881%0.812SS**THydrogen-bonded Turntrans-82.457.8-178-1670000110.7
492E41.5Very low35.7Very low172 Ų172140.7 Ų140.780%0.80482%0.819SS**THydrogen-bonded Turntrans-1193179-148178.2139.900113.2T490T490-E492 PolarHBondContact O-N 3.26Å
493Q44.8Very low35.6Very low184 Ų184139 Ų13986%0.8682%0.815SS**SBendtrans-123.267.5176.2-70.9-174-15.600112.1
494L36.4Very low35.6Very low169 Ų169139 Ų13989%0.88582%0.815SS**  trans-167.148.3158.7-109.8174.7000112.9
495S36.3Very low35.4Very low127 Ų127142.1 Ų142.189%0.88882%0.824SS**  trans-129.546176.8-169.70000114.2
496S31.2Very low35.2Very low84 Ų84143.8 Ų143.859%0.58782%0.819SS**  trans-143.7145153.167.50000107.9
497R35.4Very low35.2Very low218 Ų218141.9 Ų141.982%0.82382%0.815SS**  cis-147.8140.213.424-93.1175155.9-6.7110.9
498V30Very low34.9Very low121 Ų121142.2 Ų142.273%0.73381%0.811SS**  trans-142.3122.2146.3-171.80000107.4F500V498-F500 HydrophobicContact CB-CE1 4.31Å; V498-F500 HydrophobicContact CG1-CD1 3.74Å; V498-F500 HydrophobicContact CG1-CE1 3.67Å
499S28.5Very low34.8Very low119 Ų119143.8 Ų143.883%0.83281%0.811SS**  trans-108.3135.2168.7-58.50000108.4
500F34Very low34.8Very low184 Ų184140.6 Ų140.681%0.80781%0.809SS**  trans-119.6132.9165.59.6-89.2000108.7V498V498-F500 HydrophobicContact CB-CE1 4.31Å; V498-F500 HydrophobicContact CG1-CD1 3.74Å; V498-F500 HydrophobicContact CG1-CE1 3.67Å
501T31.8Very low34.2Very low136 Ų136138.6 Ų138.683%0.83481%0.811SS**PPolyproline II helixtrans-73.6128.8-174.146.40000111.3L503T501-L503 PolarHBondContact O-N 3.22Å
502S31.2Very low33.7Very low118 Ų118136.4 Ų136.483%0.82580%0.803SS**PPolyproline II helixtrans-70125166.7-162.60000109.2
503L33.9Very low33.3Very low163 Ų163136 Ų13685%0.85380%0.803SS**PPolyproline II helixtrans-82.7134.4165-84.9160.8000108.8T501T501-L503 PolarHBondContact O-N 3.22Å
504S33.3Very low32.7Very low115 Ų115135.2 Ų135.280%0.80480%0.799SS**PPolyproline II helixtrans-85137.3170-54.80000109.2
505D30.9Very low32.4Very low169 Ų169131.1 Ų131.190%0.90479%0.79SS**  trans-113.3127163-116.2-40000108.1
506D31Very low32.1Very low133 Ų133130.9 Ų130.971%0.71179%0.788SS**  trans-119.5121.7-179.7-176.2-5.3000108.7
507T37.2Very low31.9Very low134 Ų134130.6 Ų130.682%0.82279%0.791SS**  trans-153.399.3167-68.30000108.8
508S30.6Very low31.7Very low100 Ų100129.3 Ų129.370%0.69979%0.794SS**  trans-93.2148170.250.50000111.3
509T32.8Very low31.6Very low132 Ų132131.7 Ų131.781%0.8180%0.797SS**  trans-162.3137.2167.9-76.20000109.5
510A38.7Very low32.3Very low99 Ų99130.4 Ų130.482%0.81879%0.786SS**  trans66134.3-173.900000114.4
511G28.3Very low32Very low75 Ų75126.1 Ų126.177%0.77378%0.779SS**  cis91.5125.25.300000112.4
512S30.8Very low32Very low113 Ų113126.7 Ų126.779%0.7977%0.772SS**  cis-158.7175.72-167.30000110.1
513M33.3Very low32Very low162 Ų162127.5 Ų127.580%0.79876%0.763SS**  trans69148.1167.5-59.4171.271.300117.4
514E30.7Very low31.9Very low168 Ų168126 Ų12679%0.78575%0.751SS**  cis-161.8165.6-31-148.1-172126.600109.6
515A30.1Very low31.9Very low84 Ų84127.5 Ų127.569%0.69475%0.746SS**  trans41.6119.2156.800000121.3
516S29.9Very low31.8Very low122 Ų122125.4 Ų125.485%0.85373%0.734SS**  179.217191.1-160.50000112.6
517A28.5Very low31.9Very low77 Ų77125.4 Ų125.464%0.63673%0.733SS**  trans-78.3156.9-17300000114.4
518Q30.9Very low31.6Very low192 Ų192127 Ų12790%0.89773%0.732SS**  -172.9155.795-117.7152-97.900115
519Q26.8Very low31.5Very low171 Ų171130.5 Ų130.580%0.79974%0.737SS**  trans-117.3-170.7168.7-128.8-149.8-8.900107.2
520P43.3Very low31.6Very low92 Ų92129.8 Ų129.860%0.59773%0.727SS**  cis-134162.3-8.641.7-22.7000115
521S28.3Very low31.2Very low94 Ų94133.6 Ų133.666%0.65773%0.728SS**  83.4167.810869.60000121.7
522Q31.7Very low31.3Very low147 Ų147133.3 Ų133.369%0.68773%0.726SS**  trans89.3114.7160.2-56.4-96.782.200116
523Q30.6Very low31.2Very low136 Ų136137.3 Ų137.364%0.63673%0.732SS**  81.9151.489.2-75.7-169.3-18.500113.7
524Q33.1Very low31.3Very low130 Ų130135.9 Ų135.961%0.60773%0.728SS**  cis-163.8155.13.3-125.2170.3-10.200110.6
525Q33.5Very low31.5Very low148 Ų148135.7 Ų135.769%0.69273%0.726SS**  trans50.1168.5140.6-74.4174.4-72.400122.3
526L28.3Very low31.8Very low124 Ų124139.3 Ų139.365%0.64973%0.732SS**  cis-179.4129.1-29.8173.569.4000110.4
527L32.3Very low32Very low134 Ų134138.7 Ų138.770%0.70273%0.728SS**  trans60.1168.4164.7-65.9169.5000117.2
528Q31.7Very low32.4Very low168 Ų168138.9 Ų138.979%0.78573%0.73SS**  cis-162.8-166.3-34.9-177.2148.965.700108.1
529E27.9Very low32.7Very low172 Ų172137.7 Ų137.780%0.80472%0.724SS**  trans72.6149.6-178.6-96.4161.767.300115.3
530L34.3Very low33.1Very low117 Ų117136.5 Ų136.561%0.61372%0.723SS**  cis-154.5143.219.4-155.6133.9000111.9
531Q30.7Very low33.1Very low179 Ų179142.1 Ų142.184%0.83673%0.734SS**  trans54.3147.7168.2-74166.3-20.200120.2
532G29.7Very low34Very low70 Ų70143.4 Ų143.472%0.72274%0.737SS**  cis114.797.7-17.500000116.9
533E30.5Very low34.6Very low196 Ų196143.1 Ų143.192%0.91674%0.739SS**  trans-159.393.8153.9-153.9153.488.500113.9
534D34.3Very low35.6Very low133 Ų133147.4 Ų147.471%0.71176%0.764SS**  trans38.7152.2137.7-103-61000130.1
535H35.6Very low35.7Very low164 Ų164148.3 Ų148.376%0.75977%0.772SS**  trans68.4146.1162.1-49.4-17.2000117.8
536I35.6Very low35.9Very low160 Ų160148.3 Ų148.382%0.82178%0.776SS**  cis-145.813132.2-67167.6000113.1
537S33.6Very low36.3Very low108 Ų108149.7 Ų149.776%0.75578%0.783SS**  trans41.6137.2142.9-1480000125.8
538A37.5Very low36.5Very low82 Ų82150.6 Ų150.668%0.67879%0.788SS**  trans68.5151.5144.400000121.6
539Q36.6Very low36.8Very low166 Ų166149.5 Ų149.578%0.77679%0.789SS**  cis179.2144.1-38.7-115.9169.6-12.100108.7
540N35.9Very low37.4Very low147 Ų147148 Ų14879%0.78679%0.787SS**  trans64.8139.2177.7-54-60.7000114.4
541Y43Very low37.6Very low209 Ų209150.2 Ų150.282%0.8280%0.8SS**  cis-141.8156.942.1-134.8-95.8000113.1I543Y541-I543 HydrophobicContact CD1-CG1 4.26Å
542V48.2Very low38.2Very low121 Ų121148 Ų14873%0.73380%0.797SS**  trans-108.8134.5170.5171.60000109.3
543I43.1Very low38.9Very low142 Ų142154.5 Ų154.573%0.72880%0.803SS**  trans-137106.1158.2-62.2-173.9000108.7Y541Y541-I543 HydrophobicContact CD1-CG1 4.26Å
544I52.8Low39.6Very low226 Ų226150.7 Ų150.7100%1.15979%0.793SS**  trans58.60160.8-49169.2000115.4

Retrieved 544 of 544 residues in 751.3 ms (Link to these results)