A0A087Y9N7_POEFO Loading...

CREB regulated transcription coactivator 2

AlphaFold DB , UniProt , Accession A0A087Y9N7, Species POEFO (Poecilia formosa, Amazon molly), Gene CRTC2, Length 638 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
1M36.1Very low41Very low237 Ų237153.5 Ų153.5100%1.16780%0.804SS**  0173.40-73.478.3102.700109
2S36.7Very low40.3Very low115 Ų115156.4 Ų156.480%0.80481%0.806SS**  trans-55.6168.2174.3-42.80000112.8
3E41.1Very low39.5Very low176 Ų176152 Ų15282%0.82280%0.796SS**  cis-162.6-179.437.6-98.7-156.698.200110.3
4P63.6Low38.8Very low92 Ų92148.6 Ų148.660%0.59779%0.79SS**  cis-141.8174.5-44.539.9-22.2000115.1
5S40.2Very low38.5Very low119 Ų119145.7 Ų145.783%0.83279%0.786SS**  trans53.7144.1142.966.20000124.4
6G39.9Very low37.9Very low73 Ų73143.4 Ų143.475%0.75378%0.784SS**  trans120.967.816200000114.2
7E39.6Very low37.7Very low148 Ų148142.5 Ų142.569%0.69278%0.784SS**  58.587.373.5-145.6-158.4-95.100115.3
8R42.8Very low37.3Very low218 Ų218145.4 Ų145.482%0.82379%0.791SS**  161.2140.5125.7-85.8156.6-160.5-137.2-3.8113.5
9L40.3Very low37Very low142 Ų142141.4 Ų141.474%0.74379%0.787SS**  trans-80.6154.4161.5-6576.9000109
10F36.1Very low36.5Very low201 Ų201139 Ų13988%0.88278%0.78SS**  178.597126.9-96.1-64.6000112.5
11F34.9Very low36.2Very low167 Ų167141.4 Ų141.473%0.73278%0.783SS**  28.8144.7121.6-96.3-74.9000122.9
12F32.6Very low36.1Very low189 Ų189137.9 Ų137.983%0.82976%0.764SS**  trans73.4155.1169.2-80.3-115.5000117.7
13C29.6Very low35.8Very low99 Ų99138.1 Ų138.167%0.66977%0.765SS**  cis-170167.1-32.7-1590000111.1
14C30.5Very low35.3Very low105 Ų105132.9 Ų132.971%0.70976%0.758SS**  trans56.6107.8158.5-79.20000122.7
15S33Very low34Very low105 Ų105136.9 Ų136.973%0.73477%0.773SS**  59.1145.8108.4-53.40000124.3
16S29.4Very low33.5Very low109 Ų109139 Ų13976%0.76277%0.77SS**  trans79.5148.5153.484.70000117.5
17T35.2Very low33.2Very low127 Ų127139.5 Ų139.578%0.77976%0.762SS**  cis-162.1179.2-11.28.50000111.4
18Q30.8Very low33.3Very low196 Ų196138.6 Ų138.692%0.91677%0.772SS**  trans84.3143.5171-52.1-175.95.100117.4
19G30Very low33.1Very low69 Ų69139.1 Ų139.171%0.71177%0.774SS**  cis150130.5-16.600000116.4
20S28.1Very low32.9Very low92 Ų92137.4 Ų137.464%0.64377%0.774SS**  trans70.4150.8172.9-1410000115.5
21F30.9Very low33Very low190 Ų190134 Ų13483%0.83377%0.77SS**  cis-135.7130.313.7-69.9-93.9000108.8
22Q32.8Very low33.2Very low164 Ų164134.2 Ų134.277%0.76677%0.766SS**  82.8130.479.3-86.4-72.316.700117.6
23S30.6Very low33.8Very low120 Ų120133.4 Ų133.484%0.83977%0.765SS**  trans61152.617369.30000119.3
24G31.1Very low34.8Very low65 Ų65136.8 Ų136.867%0.6777%0.77SS**  cis157.3135.8-11.800000114.1
25L35.8Very low35.5Very low176 Ų176135.3 Ų135.392%0.92177%0.773SS**  trans68162179.1-46.8176.2000114
26E30.2Very low36.1Very low164 Ų164138.2 Ų138.277%0.76678%0.779SS**  cis-156.3-177.110.3-150.7-148.281.300112.6
27S32.5Very low36.8Very low84 Ų84137.1 Ų137.159%0.58777%0.767SS**  trans72.288.8153-101.70000121.6R29S27-R29 PolarHBondContact O-N 3.46Å
28S41.9Very low37Very low129 Ų129140.2 Ų140.290%0.90277%0.773SS**  trans-71111.5151.5-59.70000111.2
29R38.9Very low37.7Very low228 Ų228140.9 Ų140.986%0.8677%0.767SS**  trans-149.5102.6170.9-117.1173.2-168.7-113.60.9116.7S27S27-R29 PolarHBondContact O-N 3.46Å
30S36.3Very low38.2Very low107 Ų107144.2 Ų144.275%0.74877%0.774SS**  trans39.899.7138.4-161.90000120.5
31T38.4Very low38.4Very low128 Ų128148.1 Ų148.179%0.78578%0.782SS**  trans-154.9104.3144.5174.10000108.4
32R38Very low38.8Very low172 Ų172149.9 Ų149.965%0.64978%0.783SS**  77100.373.5-79-179.2169.4-102.7-0113.2
33H46.7Very low38.8Very low173 Ų173147.8 Ų147.880%0.80178%0.777SS**  trans68.9160.6165.7-38.2-52.9000113
34H49.8Very low39.5Very low170 Ų170152.1 Ų152.179%0.78778%0.775SS**  cis-139.6129.315.6-47.5-105.4000110.8
35G44.8Very low39.9Very low74 Ų74158.9 Ų158.976%0.76378%0.78SS**  trans-86.4106.5160.200000108.6
36L45.2Very low40.1Very low165 Ų165160 Ų16086%0.86478%0.778SS**  trans-74135.9-172.4-155.4143.6000110.9
37V44.1Very low40.4Very low86 Ų86159 Ų15952%0.52178%0.783SS.*  trans-96.1102.3-164.5178.50000111.1R39V37-R39 HydrophobicContact CG1-CB 3.94Å; V37-R39 HydrophobicContact CG1-CG 3.55Å; V37-R39 PolarHBondContact O-N 3.24Å
38E39.7Very low40.5Very low193 Ų193159.5 Ų159.590%0.90279%0.786SS**  trans-80108.1155.1-72.2-156.6124.600109.6
39R46.5Very low40.4Very low209 Ų209159.6 Ų159.679%0.78978%0.784SS**  trans-12587.3170.6-90.3-177.7-179.3122.11110.1V37V37-R39 HydrophobicContact CG1-CB 3.94Å; V37-R39 HydrophobicContact CG1-CG 3.55Å; V37-R39 PolarHBondContact O-N 3.24Å
40V39.3Very low40.3Very low140 Ų140154.5 Ų154.585%0.84878%0.778SS**  trans-141.4129.8167.5-175.50000105.8
41Q33.2Very low40.6Very low173 Ų173160.3 Ų160.381%0.80878%0.783SS**  cis-143.5155-17.7177.375.3-26.800105D43Q41-D43 PolarHBondContact O-N 3.42Å
42R39.8Very low40.7Very low227 Ų227160.3 Ų160.386%0.85779%0.785SS**  trans-71.5124.5169.4-71.4-176.517795.6-5.1110.1
43D31.8Very low40.5Very low120 Ų120162.4 Ų162.464%0.64280%0.795SS**  trans-122.4140.7132.9-163.4-0.2000108.8Q41 R45Q41-D43 PolarHBondContact O-N 3.42Å; D43-R45 IonicContact OD1-NE 2.67Å; D43-R45 IonicContact OD1-NH2 2.68Å; D43-R45 PolarHBondContact OD1-NH2 3.46Å; D43-R45 IonicContact OD2-CZ 3.66Å; D43-R45 IonicContact OD2-NE 3.9Å; D43-R45 IonicContact OD2-NH2 3.3Å; D43-R45 PolarHBondContact OD2-NH2 3.14Å
44R45.3Very low39.9Very low212 Ų212165.1 Ų165.180%0.880%0.798SS**  trans-102.5114.5172.1-74.9-177.8179-9913.6107.5
45R39Very low39.2Very low206 Ų206163.3 Ų163.378%0.77779%0.794SS**  trans-146.4129.4156-116.6156-74.9-147.25.7111.9D43D43-R45 IonicContact OD1-NE 2.67Å; D43-R45 IonicContact OD1-NH2 2.68Å; D43-R45 PolarHBondContact OD1-NH2 3.46Å; D43-R45 IonicContact OD2-CZ 3.66Å; D43-R45 IonicContact OD2-NE 3.9Å; D43-R45 IonicContact OD2-NH2 3.3Å; D43-R45 PolarHBondContact OD2-NH2 3.14Å
46F40.3Very low38.8Very low200 Ų200170.4 Ų170.488%0.87780%0.798SS**  trans-67.7138.9-175.4-60.6-112.2000111.2
47V37.5Very low38.2Very low143 Ų143168.1 Ų168.187%0.86778%0.783SS**  trans-143.4127.7134.7-1770000108.2
48S34.4Very low37.8Very low94 Ų94171.1 Ų171.166%0.65780%0.801SS**  trans-110.5135.1160.4179.40000107.8V50S48-V50 PolarHBondContact O-N 3.4Å
49P40.2Very low37.5Very low131 Ų131168.7 Ų168.785%0.85179%0.789SS**  trans-8079.2-173.932.3-35.4000112.4
50V36.6Very low36.6Very low122 Ų122165.8 Ų165.874%0.73979%0.79SS**  trans-110.3128.8167.7-1790000109.3S48S48-V50 PolarHBondContact O-N 3.4Å
51R42.6Very low36.3Very low229 Ų229164.2 Ų164.286%0.86479%0.785SS**  trans-82.4148.5174.5-61.3-176.7-178.2-175.31.5110.6
52P40.8Very low36.5Very low128 Ų128162.8 Ų162.883%0.83178%0.782SS**  -142.7-178.5113.432-14.5000115.3
53Y33.4Very low36.2Very low216 Ų216162.4 Ų162.485%0.84778%0.782SS**  trans-84.7147-176.4-81.5-121.1000113.9
54R34.8Very low36.4Very low229 Ų229161.2 Ų161.286%0.86478%0.783SS**  179.9119.3113.2-101.4-76.5-179.4176.7-1.1115.4
55N34.5Very low35.9Very low132 Ų132157.6 Ų157.671%0.70679%0.785SS**  trans-24.6136.4158.4-174.11.3000119.4Q57N55-Q57 PolarHBondContact OD1-N 2.89Å
56R35.3Very low36.1Very low224 Ų224151.7 Ų151.785%0.84578%0.78SS**  trans-141.9110.8147.1-123.2-171.1170.3168.30.7108.9
57Q32.8Very low36.3Very low116 Ų116153.2 Ų153.254%0.54278%0.782SS.*  66.397.5101.7-167.8-179-500116.2N55 E59N55-Q57 PolarHBondContact OD1-N 2.89Å; Q57-E59 HydrophobicContact CG-CG 4.35Å; Q57-E59 PolarHBondContact NE2-OE1 3.42Å
58V35.9Very low36.4Very low149 Ų149154.2 Ų154.290%0.90378%0.782SS**  trans-131.7152.3143.3178.20000106.2
59E33Very low36.4Very low142 Ų142155 Ų15566%0.66479%0.787SS**  trans-112.6177.2-156.3-67.4161.9179.700113.8Q57Q57-E59 HydrophobicContact CG-CG 4.35Å; Q57-E59 PolarHBondContact NE2-OE1 3.42Å
60N28.9Very low37.1Very low149 Ų149154.2 Ų154.280%0.79778%0.782SS**  trans69.5143.6-178.3-91.3-8.9000116.8
61S31.2Very low37.6Very low106 Ų106153.2 Ų153.274%0.74178%0.778SS**  cis-131.5162.23.7-74.60000112.3
62L39.4Very low38Very low143 Ų143148.6 Ų148.675%0.74978%0.778SS**  trans-77.8144.6-176.8-51.492.1000112.7
63Y33.4Very low38.2Very low219 Ų219149.4 Ų149.486%0.85978%0.775SS**  179.9157.4109.3-105-78.6000112.4
64S34.6Very low38.7Very low95 Ų95143.2 Ų143.266%0.66477%0.768SS**  trans72.194.5163.2-60.50000121.1
65T36.2Very low39Very low137 Ų137137.2 Ų137.284%0.8476%0.762SS**  59.4121.3127.459.20000122.4
66A43.1Very low39.4Very low82 Ų82140.5 Ų140.568%0.67876%0.764SS**  trans-24.6147.3141.500000115.1
67Y42.8Very low40Very low231 Ų231139.7 Ų139.791%0.90676%0.761SS**  cis-122.1156.341.3-95.9-109.5000116.1
68L40.2Very low40.2Very low165 Ų165139.1 Ų139.186%0.86477%0.77SS**PPolyproline II helixtrans-84.5131.8170.6-75.4153.8000110.9
69S34.4Very low40.3Very low111 Ų111141.3 Ų141.378%0.77677%0.77SS**PPolyproline II helixtrans-103.5135.9152.2-66.20000108.4
70P54.6Low40.9Very low113 Ų113146.3 Ų146.373%0.73478%0.783SS**PPolyproline II helixtrans-67.5156.6170.230.3-34.5000110.7
71P46.9Very low41Very low101 Ų101146.2 Ų146.266%0.65678%0.783SS**PPolyproline II helixtrans-63.5151.9169.129.9-35.2000110.7D73P71-D73 PolarHBondContact O-N 3.08Å; P71-D73 VanDerWaalsContact O-N 3.08Å
72P52.2Low41.3Very low133 Ų133153.4 Ų153.486%0.86479%0.794SS**  trans-76.696.5-179.530.3-34.2000111.7
73D44Very low41.1Very low144 Ų144151.6 Ų151.677%0.7779%0.793SS**  trans-68.7149.3169.4-75.7-43.5000112.2P71 S75P71-D73 PolarHBondContact O-N 3.08Å; P71-D73 VanDerWaalsContact O-N 3.08Å; D73-S75 PolarHBondContact O-N 3.12Å; D73-S75 VanDerWaalsContact O-N 3.16Å
74A43.8Very low40.9Very low86 Ų86144.9 Ų144.971%0.71179%0.79SS**  trans-71.8106.5-168.300000113.9W76A74-W76 VanDerWaalsContact O-CD1 3.28Å; A74-W76 PolarHBondContact O-N 3.1Å; A74-W76 VanDerWaalsContact O-N 3.16Å
75S41.6Very low40.7Very low104 Ų104148 Ų14873%0.72780%0.799SS**  trans-89.559.9-168.552.90000115.8D73 R77D73-S75 PolarHBondContact O-N 3.12Å; D73-S75 VanDerWaalsContact O-N 3.16Å; S75-R77 PolarHBondContact O-N 3.02Å; S75-R77 VanDerWaalsContact O-N 3.09Å
76W43.7Very low40.8Very low201 Ų201150.4 Ų150.476%0.76180%0.799SS**SBendtrans-77.319.5172.156.6-84.9000114.6A74A74-W76 VanDerWaalsContact O-CD1 3.28Å; A74-W76 PolarHBondContact O-N 3.1Å; A74-W76 VanDerWaalsContact O-N 3.16Å
77R46.9Very low40.5Very low207 Ų207152.1 Ų152.178%0.78180%0.803SS**  trans-145.451.4-175.7-68.5-167.9168.7-147.1-5.7113.9S75S75-R77 PolarHBondContact O-N 3.02Å; S75-R77 VanDerWaalsContact O-N 3.09Å
78S38.4Very low40.2Very low103 Ų103144.2 Ų144.272%0.7279%0.792SS**  trans-139.941.7179.7-166.70000116.5
79E36.4Very low39.9Very low195 Ų195142 Ų14291%0.91178%0.781SS**  trans-130.186.9154.4-79.4-150.815000111.4
80R46.5Very low40Very low248 Ų248145.1 Ų145.194%0.93678%0.78SS**  trans-163.878.2149.3-107.8-159.4-59.5-155.62.5109.8
81N31.8Very low39.2Very low147 Ų147145.2 Ų145.279%0.78678%0.783SS**  trans-146124.6157.3-150.3-13.8000110
82W36.9Very low38.6Very low257 Ų257148.6 Ų148.697%0.97379%0.791SS**  trans-125.4108.5179.2-9154000107.1
83S34.1Very low38.1Very low105 Ų105148.9 Ų148.973%0.73478%0.784SS**  trans-158.1116.5176.760.90000112.5
84G31Very low38Very low78 Ų78151.8 Ų151.880%0.80479%0.79SS**  trans84.1139.7173.100000114.7
85N29.9Very low37.4Very low160 Ų160158.2 Ų158.286%0.85680%0.796SS**  cis-152.1148.2-4.3-157.829.3000111.6
86F37.8Very low37.4Very low188 Ų188160.7 Ų160.783%0.82580%0.8SS**  trans-94155.1176-81.7-86.5000111.9
87P37.4Very low37.2Very low118 Ų118156 Ų15677%0.76680%0.796SS**  -108.4150.9111.233.8-34.7000109.5
88G36.1Very low36.8Very low65 Ų65150.9 Ų150.967%0.6779%0.788SS**  cis87.7112.640.700000107.7
89D34.5Very low37.3Very low118 Ų118152.1 Ų152.163%0.63179%0.791SS**  cis-160175.524.657.7-2.2000115.6
90K36.6Very low37.5Very low176 Ų176146.3 Ų146.377%0.76578%0.777SS**  trans43.5106.9159.7-56.4146.7-167.4157.90117.3
91S35.8Very low37.3Very low115 Ų115141.1 Ų141.180%0.80477%0.767SS**  -178.7146.378.439.90000114.7
92Q35.9Very low38.1Very low173 Ų173142.4 Ų142.481%0.80877%0.773SS**  trans39.3105.2154.6-55.7-163.828.700122
93L40.7Very low38.6Very low139 Ų139140.5 Ų140.573%0.72877%0.766SS**  65.3148.9125.6-62.2165.6000120.6
94F41.5Very low39Very low205 Ų205144.4 Ų144.490%0.89977%0.765SS**  trans61.850.9175.2-56.5-71000117.6
95R32.2Very low39.5Very low221 Ų221147.9 Ų147.983%0.83477%0.771SS**  trans-119111.7138.3-179.4161.8-74.3-141.7-2.3109.9
96L41.2Very low40.4Very low155 Ų155146.9 Ų146.981%0.81277%0.765SS**  trans-55.2148.4166.2-67164.1000109.7T98L96-T98 PolarHBondContact O-N 2.96Å; L96-T98 VanDerWaalsContact O-N 3.13Å
97P39.3Very low40.6Very low103 Ų103141.7 Ų141.767%0.66975%0.752SS**  trans-56.6119.6165.6-21.333000109.5T99P97-T99 HydrophobicContact CB-CG2 4.04Å; P97-T99 PolarHBondContact O-N 3.24Å
98T38.6Very low41.6Very low100 Ų100143.3 Ų143.361%0.61376%0.755SS**  trans-75.331177.4-13.90000112.7L96 A100L96-T98 PolarHBondContact O-N 2.96Å; L96-T98 VanDerWaalsContact O-N 3.13Å; T98-A100 PolarHBondContact O-N 3.02Å
99T49.1Very low42Very low128 Ų128144.7 Ų144.779%0.78575%0.754SS**THydrogen-bonded Turntrans-77.351-177.251.80000112.1P97P97-T99 HydrophobicContact CB-CG2 4.04Å; P97-T99 PolarHBondContact O-N 3.24Å
100A40.8Very low42Very low74 Ų74142.6 Ų142.661%0.61275%0.753SS**THydrogen-bonded Turntrans-153.7-31.7174.900000113.6T98 N102 R103T98-A100 PolarHBondContact O-N 3.02Å; A100-N102 PolarHBondContact O-N 2.61Å; A100-R103 PolarHBondContact O-N 3.35Å
101L42.9Very low42.2Very low138 Ų138142.7 Ų142.772%0.72376%0.761SS**THydrogen-bonded Turntrans-81.717.8-171.2-112.9166.8000115.6
102N48.9Very low42.5Very low174 Ų174145 Ų14593%0.9376%0.759SS**THydrogen-bonded Turntrans-126.229.4163.1-83.9-48.8000110.9A100A100-N102 PolarHBondContact O-N 2.61Å
103R47.5Very low42.5Very low218 Ų218143.5 Ų143.582%0.82376%0.761SS**SBendtrans-131.519.9174.7-153.3-179-82.6-97.86.7114A100A100-R103 PolarHBondContact O-N 3.35Å
104W42.2Very low42.6Very low187 Ų187142.2 Ų142.271%0.70876%0.764SS**SBendtrans-157.7101.7156.8-107.5-22.4000104.6S107W104-S107 PolarHBondContact NE1-O 3.06Å
105T40.5Very low42.2Very low151 Ų151139.5 Ų139.593%0.92676%0.764SS**SBend-134.522.696.448.50000114
106N50Low42.5Very low139 Ų139136.9 Ų136.974%0.74376%0.763SS**SBendtrans-130.4161.2163.8-161.5-101.1000109.1
107S40.7Very low42.1Very low78 Ų78136.9 Ų136.955%0.54576%0.764SS.*  trans61.8112.6-152-54.40000111.6W104W104-S107 PolarHBondContact NE1-O 3.06Å
108D58.6Low42.8Very low153 Ų153136.9 Ų136.982%0.81876%0.764SS**  60.7120.359.3-169.120.5000112
109S43.9Very low42.6Very low94 Ų94137.8 Ų137.866%0.65777%0.771SS**  trans-176103.9179.2-75.90000109.6
110A35.9Very low41.8Very low73 Ų73140.7 Ų140.760%0.60378%0.778SS**  177.794.211300000112.5
111L39.6Very low41.2Very low178 Ų178140.8 Ų140.893%0.93279%0.787SS**  -133.7147.1125.8-78.2-174.8000108.4
112H41.8Very low40.5Very low165 Ų165141.1 Ų141.176%0.76479%0.789SS**  trans-95.1176.6-178.5-58.8-97.3000108.2
113T36.2Very low39.4Very low141 Ų141142.8 Ų142.887%0.86579%0.789SS**  cis-152.317437.550.50000113
114S43Very low38.5Very low111 Ų111137.2 Ų137.278%0.77678%0.783SS**  trans-97.4144-173.855.10000114.6
115V32.9Very low38Very low149 Ų149137.3 Ų137.390%0.90379%0.793SS**  trans-131.1145.8156.9-177.60000109.6
116M38.7Very low37.6Very low166 Ų166134.9 Ų134.982%0.81879%0.789SS**  trans-91.5149.5-171.9-71.7-80.6-154.800113.6
117N33.4Very low36.5Very low154 Ų154131.7 Ų131.782%0.82479%0.788SS**  -169.1158.2105.6-112.7-4.6000113.7
118P53.6Low36.5Very low104 Ų104134.5 Ų134.568%0.67581%0.805SS**  trans-98.9169.6-173.339.4-36.1000113.9
119P34.8Very low35.2Very low118 Ų118131.5 Ų131.577%0.76680%0.802SS**  trans-128.7128.7141.734.7-23.4000114
120M30.9Very low34.7Very low190 Ų190134.5 Ų134.594%0.93681%0.809SS**  trans11.8134.2145.6-50.3-179.2-65.400120.1
121G30Very low34.6Very low76 Ų76137.2 Ų137.278%0.78482%0.818SS**  trans163.284.3162.300000115.5
122D26.5Very low35.2Very low145 Ų145133.7 Ų133.778%0.77581%0.807SS**  trans-4.9142.7166.1-56.6-42.9000121.1
123F27.6Very low34.7Very low209 Ų209135.4 Ų135.492%0.91782%0.815SS**  -159.7145.7103.7-101.5-66.3000112.7
124S27Very low34.5Very low101 Ų101132 Ų13271%0.70681%0.807SS**  trans-77160.1-169.4-35.70000114.8
125M32Very low34Very low188 Ų188132.3 Ų132.393%0.92682%0.817SS**  -179.497.7124.1-95.3-54.6171.800113
126A32.5Very low33.9Very low101 Ų101128.7 Ų128.784%0.83581%0.809SS**  trans-177142.3148.600000110.2
127G27.4Very low33.8Very low71 Ų71132.5 Ų132.573%0.73282%0.815SS**  trans-84-179.6173.800000113.4
128P39.4Very low33.7Very low138 Ų138131.3 Ų131.390%0.89682%0.818SS**  cis-123.3-173.844.740.2-29.4000116.1
129A32.4Very low32.6Very low90 Ų90129.1 Ų129.174%0.74482%0.815SS**  trans-69.4160.9-166.600000116.8
130L32Very low32.5Very low156 Ų156129.4 Ų129.482%0.81782%0.82SS**  -176.298.3118.9-96.5173.6000114.6
131T35.1Very low32.7Very low130 Ų130127.8 Ų127.880%0.79882%0.815SS**  trans61.4162.7146.745.10000122.5
132P51.3Low33Very low105 Ų105127.7 Ų127.768%0.68281%0.814SS**  trans-128.8164.3-15943-28.9000118
133Q33Very low33.4Very low201 Ų201127 Ų12794%0.93982%0.82SS**  trans163.3157.2147.6-92.7155.7101.500110.1
134G30.3Very low34Very low68 Ų68123 Ų12370%0.70181%0.812SS**  cis164.8146.2-10.400000114.1
135A33Very low34.6Very low119 Ų119125.1 Ų125.198%0.98382%0.815SS**  trans63.1164.4166.100000119.8
136G30.5Very low35Very low72 Ų72124.2 Ų124.274%0.74281%0.808SS**  trans-169.4-77.2-17700000119.6
137R37.2Very low35.3Very low247 Ų247125.8 Ų125.893%0.93281%0.81SS**  trans59.5134.8175.4-71177.1147.3-136.4-3120.8
138S30.3Very low35.7Very low129 Ų129126.6 Ų126.690%0.90281%0.81SS**  trans72.6150.5147-152.40000118.1
139G30.3Very low35.8Very low58 Ų58126.7 Ų126.760%0.59881%0.808SS**  cis165.2-178.3-8.800000112.8
140S34Very low35.8Very low124 Ų124131.6 Ų131.687%0.86781%0.813SS**  trans63.9-179.8176.839.60000117.2
141D35.7Very low36.7Very low155 Ų155129.4 Ų129.483%0.82981%0.808SS**  -147.4165.9-129.960.3-55.4000116.8
142G35.3Very low36.7Very low75 Ų75133.9 Ų133.977%0.77381%0.812SS**  trans81.898.5147.600000120.1
143S34.7Very low36.3Very low129 Ų129134.3 Ų134.390%0.90281%0.814SS**  trans-167.3175.6131.2-158.20000111.4
144V40.7Very low36.7Very low125 Ų125131 Ų13176%0.75881%0.808SS**  trans-118.9157.2-171-167.20000111
145L39.5Very low37.2Very low146 Ų146133 Ų13376%0.76481%0.808SS**  trans101.9120.9163.3-56.6174000118.3
146H40.5Very low37.5Very low169 Ų169133.3 Ų133.378%0.78280%0.8SS**  trans41.6110.1153.5-62.2-79.1000121.6
147P39Very low38.2Very low134 Ų134138 Ų13887%0.8781%0.807SS**PPolyproline II helixtrans-70146157-15.731.6000112.5
148A34.9Very low38.7Very low88 Ų88135.2 Ų135.273%0.72780%0.804SS**PPolyproline II helixtrans-97.8163.2-173.100000114.6
149V41.3Very low39Very low141 Ų141137.6 Ų137.686%0.85580%0.801SS**PPolyproline II helixtrans-78.1131.9167.31790000109.4
150F33.4Very low39.2Very low192 Ų192142.5 Ų142.584%0.84281%0.814SS**PPolyproline II helixtrans-93.2124.4175.6-93.3-88.1000112
151P51.3Low39.5Very low111 Ų111142.1 Ų142.172%0.72181%0.806SS**PPolyproline II helixtrans-86.3161.2161.935.8-32.8000111.1
152Y34.5Very low39.7Very low223 Ų223142.3 Ų142.388%0.87581%0.806SS**  trans-123.8131.5171.3-133.5-84.9000110.4
153P42.8Very low39.8Very low114 Ų114144.6 Ų144.674%0.7480%0.8SS**  trans-82.3154.2-178.1-1128.6000113.6
154V40.9Very low39.8Very low133 Ų133146.9 Ų146.981%0.80680%0.797SS**  trans-111.2137.4167.5176.70000107.9
155P40.3Very low39.9Very low109 Ų109148.1 Ų148.171%0.70880%0.799SS**  trans-70.2153.5-17828.5-35.8000113
156P41.3Very low39.8Very low125 Ų125149.8 Ų149.881%0.81280%0.8SS**  trans-78.5153.7-178.633.4-35.9000112.8
157I45Very low39.7Very low171 Ų171148.3 Ų148.388%0.87780%0.798SS**  trans-124.8147.1159.9-71179.4000107.1
158E47Very low40Very low189 Ų189149.1 Ų149.188%0.88379%0.794SS**  trans-78.8148.7-152.8-61.8172150.700114.3
159E37.2Very low40Very low178 Ų178154 Ų15483%0.83280%0.799SS**  trans-70.8142.4171.663.8-160.911400111.3
160N33.2Very low39.8Very low162 Ų162151.4 Ų151.487%0.86679%0.792SS**  trans-139.5111.3166.9-150.1-44.4000108.8
161V41.4Very low39.8Very low115 Ų115153.5 Ų153.570%0.69779%0.794SS**  trans-99120.2-172.8176.70000109.4
162L38.4Very low39Very low159 Ų159154.4 Ų154.483%0.83279%0.793SS**  trans-148.9141.5154.8-160.160.2000110
163D38.5Very low39.3Very low123 Ų123147.2 Ų147.266%0.65878%0.78SS**  trans-60.4165.2177.6-72.9-123.1000113.4
164E35.2Very low39.1Very low178 Ų178149.2 Ų149.283%0.83278%0.777SS**  -174.2125.9113.8-85.1-41.513000109.5K166E164-K166 PolarHBondContact O-N 3.28Å
165D42Very low38.9Very low151 Ų151152 Ų15281%0.80778%0.778SS**  trans-73.6117.7-174.7-110.7-43.6000113.2
166K37.6Very low38.9Very low181 Ų181153.9 Ų153.979%0.78778%0.781SS**  trans-155.495.7158.2-134.3113.5-172-630118.1E164E164-K166 PolarHBondContact O-N 3.28Å
167L38.8Very low38.2Very low138 Ų138153.1 Ų153.172%0.72378%0.779SS**  54.5134.5129.6-81.8170.3000122.5
168L44.7Very low37.9Very low150 Ų150153.1 Ų153.179%0.78578%0.78SS**  trans79.484.2156.4-58.4162.3000116.1
169K35.1Very low37.6Very low192 Ų192149.7 Ų149.784%0.83577%0.774SS**  758257.9-161.7178-176.6173.40114
170A37.8Very low37.7Very low86 Ų86146.8 Ų146.871%0.71177%0.773SS**  trans-68.1171.4157.700000111.3
171W33.7Very low37.7Very low236 Ų236144.1 Ų144.189%0.89477%0.767SS**  trans73.599.1-170.6-6585000116.4
172D33.7Very low37.9Very low129 Ų129149.3 Ų149.369%0.6977%0.774SS**  -142.5147.6108.9-167.111.8000109.7K174D172-K174 IonicContact OD1-NZ 2.87Å; D172-K174 PolarHBondContact OD1-NZ 3.08Å; D172-K174 IonicContact OD2-NZ 3.65Å; D172-K174 PolarHBondContact OD2-NZ 2.88Å
173A41.5Very low38.1Very low72 Ų72147.7 Ų147.760%0.59577%0.774SS**  trans-128.5111.6-175.900000110.7
174K37.4Very low38.2Very low157 Ų157151 Ų15168%0.68378%0.782SS**  trans170.410815847.5-150.5171.5-74.50113.4D172D172-K174 IonicContact OD1-NZ 2.87Å; D172-K174 PolarHBondContact OD1-NZ 3.08Å; D172-K174 IonicContact OD2-NZ 3.65Å; D172-K174 PolarHBondContact OD2-NZ 2.88Å
175K36.5Very low38.6Very low191 Ų191147.7 Ų147.783%0.8378%0.778SS**  178.2130123.8-102.3-177175.9-177.80114.1
176L40.3Very low38.7Very low149 Ų149145.8 Ų145.878%0.7878%0.776SS**  trans71128144.5-59.3172.6000121.2
177S28.4Very low39Very low109 Ų109146.5 Ų146.576%0.76278%0.782SS**  trans69.888.9141.7-54.30000120.4
178L37.8Very low39.3Very low170 Ų170145.4 Ų145.489%0.8978%0.781SS**  trans-57.5144.5141-72.4166.6000109.3
179P41.4Very low39.2Very low117 Ų117144.5 Ų144.576%0.7678%0.784SS**  -141.2154.881.138.8-24.4000116.7
180S38.3Very low39.9Very low117 Ų117139 Ų13982%0.81878%0.782SS**  trans12.5115.9150.4-168.70000119
181S34.3Very low40.4Very low107 Ų107141.6 Ų141.675%0.74878%0.782SS**  trans-144.2125.814964.90000112.7
182R44.9Very low41.1Very low223 Ų223137.7 Ų137.784%0.84278%0.779SS**PPolyproline II helixtrans-53142.9167.5178.7-174.1-174.2-173.62.7110.4K184R182-K184 PolarHBondContact O-N 3.23Å
183P41.8Very low41.7Very low126 Ų126137.9 Ų137.982%0.81878%0.778SS**PPolyproline II helixtrans-59.2137.4178.724.9-34.1000111.1
184K40.7Very low41.5Very low193 Ų193143.5 Ų143.584%0.83979%0.79SS**PPolyproline II helixtrans-87.2138.6179.4-61.7176.9-176.9176.30109.5R182R182-K184 PolarHBondContact O-N 3.23Å
185S43.4Very low41.6Very low107 Ų107142.2 Ų142.275%0.74880%0.795SS**PPolyproline II helixtrans-87.3138.5175.7-170.80000111
186C44.4Very low41.3Very low112 Ų112138.6 Ų138.676%0.75779%0.794SS**  trans28.990.8157.1-58.60000117.5
187E44.3Very low41.7Very low196 Ų196136.8 Ų136.892%0.91679%0.791SS**PPolyproline II helixtrans-80.5118.5163.8-164.6165.413600109.5
188V45.5Very low42Very low114 Ų114139.2 Ų139.269%0.69179%0.79SS**PPolyproline II helixtrans-96123.1179.9179.30000109G190V188-G190 PolarHBondContact O-N 3.46Å
189P42.9Very low41.8Very low132 Ų132139.1 Ų139.186%0.85779%0.785SS**THydrogen-bonded Turntrans-61.4124.3-179.6-24.234.2000112.5
190G49.7Very low42.1Very low76 Ų76138.9 Ų138.978%0.78478%0.784SS**THydrogen-bonded Turntrans156.1-17.9169.800000117.9V188V188-G190 PolarHBondContact O-N 3.46Å
191I48.4Very low41.8Very low141 Ų141138.1 Ų138.172%0.72378%0.779SS**  trans-108.392.8-171.750.6164.7000114.4I193I191-I193 HydrophobicContact CB-CG1 4.47Å; I191-I193 HydrophobicContact CD1-CD1 4.29Å; I191-I193 PolarHBondContact O-N 3.21Å
192N48.8Very low41.7Very low153 Ų153139.6 Ų139.682%0.81878%0.783SS**  trans-74.299.7167.9-73.8-24000110.7
193I45.6Very low41.7Very low133 Ų133134.7 Ų134.768%0.68278%0.78SS**  trans-109.398.6174.2-55.6178.9000109.3I191I191-I193 HydrophobicContact CB-CG1 4.47Å; I191-I193 HydrophobicContact CD1-CD1 4.29Å; I191-I193 PolarHBondContact O-N 3.21Å
194F36.2Very low41.3Very low191 Ų191135.9 Ų135.984%0.83879%0.785SS**  trans-71131.4169.3-77.3-89.3000110.4
195T40.8Very low41.1Very low129 Ų129136 Ų13679%0.79179%0.789SS**  trans-101.7133165.7460000110.1
196S30.6Very low40.7Very low115 Ų115134.2 Ų134.280%0.80479%0.786SS**  trans-155.6156.7175.7-85.20000110.1
197P47.6Very low40.3Very low111 Ų111135.9 Ų135.972%0.72179%0.793SS**  trans-119.4159.7-136.840.1-31.5000117.1
198E35.8Very low40Very low161 Ų161131.9 Ų131.975%0.75278%0.784SS**  trans74.4138145-93.3-176.88300124
199Q33.2Very low39.4Very low167 Ų167135.6 Ų135.678%0.7879%0.794SS**  trans83.6153.5147.4-75.3-167.447.200120.3
200P47.1Very low39.6Very low112 Ų112134.5 Ų134.573%0.72779%0.785SS**  trans-133168-131.243.9-30.7000116.7
201S31.1Very low39.5Very low102 Ų102136.9 Ų136.971%0.71379%0.786SS**  trans176.2133.6133.952.30000115.6
202T33.6Very low39.1Very low138 Ų138136.7 Ų136.785%0.84779%0.787SS**  trans63.4156.4150.3520000121.4
203P43.7Very low38.9Very low119 Ų119136.8 Ų136.877%0.77379%0.793SS**  trans-115.2144.2-168.139.3-27.2000115.9
204V34.4Very low39Very low152 Ų152133.5 Ų133.592%0.92179%0.792SS**  trans-138.7153.3163.6-178.90000109
205Q36.1Very low39.9Very low196 Ų196128.6 Ų128.692%0.91680%0.795SS**  trans-79.6151.7-171.6-55.8172.4-74.200114
206G34.4Very low40.3Very low68 Ų68127.9 Ų127.970%0.70180%0.796SS**  trans152.7103.7151.100000117.8
207V36.8Very low42Very low148 Ų148130.4 Ų130.490%0.89780%0.799SS**  trans69.8142.6157.7-174.30000115.6
208P38.8Very low42.9Very low112 Ų112130.1 Ų130.173%0.72780%0.797SS**  trans-95.3147.3-160.635.6-35000115.6
209Q32.3Very low43.8Very low191 Ų191128.3 Ų128.389%0.89379%0.793SS**  trans-126.4126.1153.1-75.4-167.7-19.400109.8
210V46.4Very low44.9Very low110 Ų110126.6 Ų126.667%0.66779%0.788SS**  trans-145.8118171.5-170.60000105.8N212V210-N212 HydrophobicContact CG1-CB 4.27Å; V210-N212 VanDerWaalsContact CG1-N 3.33Å
211P47.5Very low45.4Very low126 Ų126125.5 Ų125.582%0.81878%0.783SS**  -123.289.9101.834.8-30.4000111.5
212N41.2Very low46.5Very low137 Ų137125.6 Ų125.673%0.73378%0.784SS**  trans-78.5118.7162-82.8-57.3000108.6V210 G214V210-N212 HydrophobicContact CG1-CB 4.27Å; V210-N212 VanDerWaalsContact CG1-N 3.33Å; N212-G214 VanDerWaalsContact C-N 3.31Å; N212-G214 PolarHBondContact O-N 3.35Å
213T43.8Very low47.7Very low154 Ų154124.3 Ų124.395%0.94577%0.771SS**SBendtrans-7381.6179.2-49.10000110.9
214G47.4Very low48.9Very low64 Ų64126.8 Ų126.866%0.6677%0.772SS**  trans-159.1106.4178.200000111N212 S216N212-G214 VanDerWaalsContact C-N 3.31Å; N212-G214 PolarHBondContact O-N 3.35Å; G214-S216 PolarHBondContact O-N 3.25Å; G214-S216 VanDerWaalsContact O-N 3.15Å
215G54.9Low50.2Low88 Ų88127.4 Ų127.491%0.90776%0.763SS**  trans-71.8105.9-169.100000114.4
216S50.4Low51.3Low115 Ų115123.1 Ų123.180%0.80475%0.752SS**  trans-144.9135.2155.1-76.50000107.9G214G214-S216 PolarHBondContact O-N 3.25Å; G214-S216 VanDerWaalsContact O-N 3.15Å
217L65.1Low51.9Low167 Ų167124.9 Ų124.987%0.87475%0.754SS**PPolyproline II helixtrans-66.1143.4175.4-71.2167000110D219L217-D219 PolarHBondContact O-N 3.41Å
218P67.4Low52.8Low106 Ų106123.7 Ų123.769%0.68875%0.749SS**PPolyproline II helixtrans-63.6128.1169.528-33.2000109.1L220P218-L220 PolarHBondContact O-N 3.06Å
219D53.6Low53.9Low122 Ų122125.8 Ų125.865%0.65275%0.753SS**PPolyproline II helixtrans-67.8119.8-179.5-179.614.3000110.7L217 S221L217-D219 PolarHBondContact O-N 3.41Å; D219-S221 PolarHBondContact O-N 3.38Å; D219-S221 WeakPolarHBondContact OD1-CB 3.32Å; D219-S221 PolarHBondContact OD1-N 3.35Å; D219-S221 PolarHBondContact OD1-OG 3.27Å; D219-S221 VanDerWaalsContact OD2-CB 3.29Å; D219-S221 WeakPolarHBondContact OD2-CB 3.29Å; D219-S221 PolarHBondContact OD2-OG 3.49Å
220L56.3Low55Low131 Ų131122.5 Ų122.569%0.68675%0.748SS**G310 helixtrans-77.60.2-177.9-60.7179.8000113.1P218 S222 L223P218-L220 PolarHBondContact O-N 3.06Å; L220-S222 PolarHBondContact O-N 3.39Å; L220-L223 PolarHBondContact O-N 3.2Å
221S57.2Low55.5Low89 Ų89123.1 Ų123.162%0.62275%0.753SS**G310 helixtrans-54.6-17.8173.467.30000114.9D219D219-S221 PolarHBondContact O-N 3.38Å; D219-S221 WeakPolarHBondContact OD1-CB 3.32Å; D219-S221 PolarHBondContact OD1-N 3.35Å; D219-S221 PolarHBondContact OD1-OG 3.27Å; D219-S221 VanDerWaalsContact OD2-CB 3.29Å; D219-S221 WeakPolarHBondContact OD2-CB 3.29Å; D219-S221 PolarHBondContact OD2-OG 3.49Å
222S55Low55.5Low105 Ų105122.9 Ų122.973%0.73475%0.751SS**G310 helixtrans-89.64.6-178.2-62.30000115.2L220 H224L220-S222 PolarHBondContact O-N 3.39Å; S222-H224 PolarHBondContact O-N 3.46Å; S222-H224 VanDerWaalsContact O-N 3.08Å
223L58Low56.2Low111 Ų111124.1 Ų124.158%0.58176%0.757SS**  trans-81.280.3172.6-69.3179.1000111.6L220 F225L220-L223 PolarHBondContact O-N 3.2Å; L223-F225 HydrophobicContact CB-CD2 4.48Å; L223-F225 HydrophobicContact CB-CE2 3.88Å; L223-F225 HydrophobicContact CB-CZ 4.33Å; L223-F225 HydrophobicContact CD1-CZ 4.48Å; L223-F225 WeakPolarHBondContact O-CD2 3.37Å; L223-F225 PolarHBondContact O-N 3.41Å; L223-F225 VanDerWaalsContact O-N 3.1Å
224H69.6Low57Low170 Ų170124.9 Ų124.979%0.78776%0.755SS**  trans-74.494.5172.9-176.580.3000111.2S222S222-H224 PolarHBondContact O-N 3.46Å; S222-H224 VanDerWaalsContact O-N 3.08Å
225F63.1Low57.2Low165 Ų165130.4 Ų130.472%0.72476%0.764SS**PPolyproline II helixtrans-75.3121.6168.4-63.1-82.5000109.9L223L223-F225 HydrophobicContact CB-CD2 4.48Å; L223-F225 HydrophobicContact CB-CE2 3.88Å; L223-F225 HydrophobicContact CB-CZ 4.33Å; L223-F225 HydrophobicContact CD1-CZ 4.48Å; L223-F225 WeakPolarHBondContact O-CD2 3.37Å; L223-F225 PolarHBondContact O-N 3.41Å; L223-F225 VanDerWaalsContact O-N 3.1Å
226P58.4Low57.1Low106 Ų106134 Ų13469%0.68876%0.762SS**PPolyproline II helixtrans-66.9142.8170.429.4-33.9000109.8
227S46.9Very low57Low106 Ų106136.9 Ų136.974%0.74176%0.763SS**PPolyproline II helixtrans-57.5137.2177.5-55.20000111.1L229S227-L229 PolarHBondContact O-N 3.46Å
228P56Low56.1Low123 Ų123134.7 Ų134.780%0.79976%0.759SS**PPolyproline II helixtrans-61.2134.8176.526.2-33.9000110
229L60.8Low55.1Low155 Ų155132.2 Ų132.281%0.81275%0.752SS**PPolyproline II helixtrans-62.8139.8178.3-83.967.4000109.8S227 T231S227-L229 PolarHBondContact O-N 3.46Å; L229-T231 PolarHBondContact O-N 3.08Å; L229-T231 VanDerWaalsContact O-N 3.14Å
230P56.7Low54.2Low122 Ų122137.5 Ų137.579%0.79277%0.765SS**  trans-66.8114170.828.1-32.7000109.2
231T57.3Low53.8Low124 Ų124137 Ų13776%0.76177%0.77SS**PPolyproline II helixtrans-57131.6169-42.50000108.9L229 L233L229-T231 PolarHBondContact O-N 3.08Å; L229-T231 VanDerWaalsContact O-N 3.14Å; T231-L233 PolarHBondContact O-N 2.92Å
232P46.7Very low52.8Low120 Ų120137.4 Ų137.478%0.77978%0.778SS**PPolyproline II helixtrans-62.1125.417525.6-33.2000109.8
233L55.4Low52.3Low164 Ų164138 Ų13886%0.85978%0.782SS**PPolyproline II helixtrans-74131.1167.6-86.2144000108.9T231T231-L233 PolarHBondContact O-N 2.92Å
234D60.6Low51.6Low170 Ų170138.5 Ų138.591%0.90980%0.795SS**PPolyproline II helixtrans-67.2137.3171.7-138.60.5000109.4
235Q51.8Low50.1Low179 Ų179135.2 Ų135.284%0.83680%0.797SS**  trans-101.188.7-175.5-75.6-167.6-32.200111.6
236D52.2Low49.1Very low164 Ų164135.5 Ų135.588%0.87781%0.805SS**  trans-164.995.4160.2-98.2-35.7000112.1
237E48Very low48.2Very low175 Ų175136.6 Ų136.682%0.81882%0.816SS**  trans-178.7123.1146.5-111.8-59.1120.900111.5
238P47.1Very low47.8Very low122 Ų122135.7 Ų135.779%0.79282%0.823SS**  trans-109.884.9-177.138.3-30.7000114.4
239G45.6Very low46.9Very low53 Ų53133.2 Ų133.255%0.54682%0.82SS.*  trans-176.4133.9170.200000119.1
240Y35.2Very low46Very low234 Ų234131 Ų13192%0.91882%0.817SS**  trans70.8145.7162.2-56.8-79.5000119.2
241P47.3Very low45.3Very low121 Ų121131.2 Ų131.279%0.78682%0.821SS**  trans-89.9110.2-173.533.9-33.5000113.3
242A36.2Very low44.7Very low96 Ų96129.9 Ų129.979%0.79381%0.813SS**  trans-116.878.5175.900000112.2S244A242-S244 VanDerWaalsContact C-N 3.32Å; A242-S244 PolarHBondContact O-N 2.98Å
243S46Very low44.8Very low119 Ų119126.7 Ų126.783%0.83280%0.803SS**  trans-74.969.2-178.1-56.70000113.8
244S43.8Very low44.6Very low121 Ų121125.9 Ų125.985%0.84680%0.799SS**  trans-166.591.1163.8-83.60000112.7A242A242-S244 VanDerWaalsContact C-N 3.32Å; A242-S244 PolarHBondContact O-N 2.98Å
245A37.8Very low44.3Very low101 Ų101123.2 Ų123.284%0.83578%0.784SS**  trans-119.452.5175.700000112.2
246L41.5Very low44.5Very low171 Ų171117.4 Ų117.490%0.89577%0.767SS**  trans-108.172.4169.8-71.4179.9000110.3
247S39.7Very low44.4Very low129 Ų129112.4 Ų112.490%0.90275%0.745SS**  trans-159.2110.1167.2-84.70000112
248G37.7Very low44.6Very low87 Ų87107.2 Ų107.290%0.89773%0.725SS**  trans-163.8106.3167.400000109.3
249G36.8Very low45Very low71 Ų71105 Ų10573%0.73271%0.706SS**SBendtrans125.955.9177.100000117.8
250S42.5Very low45.7Very low107 Ų107106.3 Ų106.375%0.74870%0.704SS**  trans69.2147.3142.3-520000122.4T252S250-T252 PolarHBondContact O-N 3.11Å
251S42.9Very low46.3Very low127 Ų127102 Ų10289%0.88869%0.692SS**SBendtrans77.68.4151.9-52.40000122
252T45.1Very low46.4Very low96 Ų96102.3 Ų102.359%0.58969%0.685SS**  trans-126.91.2177.455.80000116.8S250 N254 L255 A256S250-T252 PolarHBondContact O-N 3.11Å; T252-N254 VanDerWaalsContact C-N 3.32Å; T252-N254 PolarHBondContact O-N 3.12Å; T252-N254 VanDerWaalsContact O-N 3.09Å; T252-L255 PolarHBondContact O-N 3.4Å; T252-A256 PolarHBondContact O-N 3.38Å
253G48.7Very low47Very low54 Ų54100.2 Ų100.256%0.55767%0.672SS**Hα-helixtrans-54.1-36-16900000116.6L255 A256 S257G253-L255 VanDerWaalsContact C-N 3.31Å; G253-L255 PolarHBondContact O-N 3.22Å; G253-A256 PolarHBondContact O-N 2.94Å; G253-S257 PolarHBondContact O-N 3.06Å
254N51Low47.2Very low146 Ų14699.7 Ų99.778%0.78166%0.659SS**Hα-helixtrans-67.7-29.7-179.6-66.810.2000112.9T252 T258T252-N254 VanDerWaalsContact C-N 3.32Å; T252-N254 PolarHBondContact O-N 3.12Å; T252-N254 VanDerWaalsContact O-N 3.09Å; N254-T258 PolarHBondContact O-N 3.37Å; N254-T258 PolarHBondContact O-OG1 3.42Å
255L54.4Low47.3Very low114 Ų11499.4 Ų99.460%0.59765%0.648SS**Hα-helixtrans-76.4-40.6177.7-64.9173.1000111.3T252 G253 S257 T258 L259T252-L255 PolarHBondContact O-N 3.4Å; G253-L255 VanDerWaalsContact C-N 3.31Å; G253-L255 PolarHBondContact O-N 3.22Å; L255-S257 PolarHBondContact O-N 3.45Å; L255-T258 WeakPolarHBondContact CA-OG1 3.33Å; L255-T258 PolarHBondContact O-N 2.86Å; L255-T258 PolarHBondContact O-OG1 3.34Å; L255-T258 VanDerWaalsContact O-OG1 3.12Å; L255-L259 WeakPolarHBondContact O-CB 3.36Å; L255-L259 VanDerWaalsContact O-CG 3.26Å; L255-L259 WeakPolarHBondContact O-CG 3.37Å; L255-L259 PolarHBondContact O-N 3.02Å
256A56.1Low47.6Very low58 Ų58101.3 Ų101.348%0.47965%0.649SS.*Hα-helixtrans-61.9-42.8176.400000112.3T252 G253 L259 T260T252-A256 PolarHBondContact O-N 3.38Å; G253-A256 PolarHBondContact O-N 2.94Å; A256-L259 PolarHBondContact O-N 3.28Å; A256-T260 PolarHBondContact O-N 3.15Å; A256-T260 VanDerWaalsContact O-N 3.08Å; A256-T260 PolarHBondContact O-OG1 3.29Å
257S48.4Very low47.6Very low59 Ų5998.4 Ų98.441%0.41365%0.65SS.*Hα-helixtrans-65.5-39.8177.9-169.40000112.7G253 L255 T260 Q261G253-S257 PolarHBondContact O-N 3.06Å; L255-S257 PolarHBondContact O-N 3.45Å; S257-T260 PolarHBondContact O-OG1 3.49Å; S257-Q261 WeakPolarHBondContact O-CG 3.36Å; S257-Q261 PolarHBondContact O-N 3.05Å; S257-Q261 VanDerWaalsContact O-N 3.11Å
258T52.3Low47.9Very low65 Ų6596.2 Ų96.240%0.39965%0.647SS.*Hα-helixtrans-72.9-35.2176.441.60000112.8N254 L255 Q261 M262N254-T258 PolarHBondContact O-N 3.37Å; N254-T258 PolarHBondContact O-OG1 3.42Å; L255-T258 WeakPolarHBondContact CA-OG1 3.33Å; L255-T258 PolarHBondContact O-N 2.86Å; L255-T258 PolarHBondContact O-OG1 3.34Å; L255-T258 VanDerWaalsContact O-OG1 3.12Å; T258-Q261 PolarHBondContact O-N 3.22Å; T258-M262 WeakPolarHBondContact O-CG 3.43Å; T258-M262 PolarHBondContact O-N 3.27Å
259L55.9Low47.8Very low77 Ų7795.7 Ų95.740%0.40364%0.642SS.*Hα-helixtrans-65.8-39.3174.9-73.5167.3000112.8L255 A256 M262 G263 I264L255-L259 WeakPolarHBondContact O-CB 3.36Å; L255-L259 VanDerWaalsContact O-CG 3.26Å; L255-L259 WeakPolarHBondContact O-CG 3.37Å; L255-L259 PolarHBondContact O-N 3.02Å; A256-L259 PolarHBondContact O-N 3.28Å; L259-M262 HydrophobicContact CD2-CE 4.18Å; L259-M262 CarbonylContact O-C 3.5Å; L259-M262 PolarHBondContact O-N 3.42Å; L259-G263 PolarHBondContact O-N 3.49Å; L259-G263 VanDerWaalsContact O-N 3.15Å; L259-I264 HydrophobicContact CD2-CD1 4.05Å; L259-I264 PolarHBondContact O-N 3.32Å
260T60.4Low48.1Very low80 Ų80100.6 Ų100.649%0.49165%0.652SS.*Hα-helixtrans-67.4-35.8172.341.60000112.2A256 S257 M262 G263A256-T260 PolarHBondContact O-N 3.15Å; A256-T260 VanDerWaalsContact O-N 3.08Å; A256-T260 PolarHBondContact O-OG1 3.29Å; S257-T260 PolarHBondContact O-OG1 3.49Å; T260-M262 VanDerWaalsContact C-N 3.3Å; T260-M262 PolarHBondContact O-N 2.89Å; T260-G263 PolarHBondContact O-N 3.26Å
261Q47.1Very low47.6Very low142 Ų14298.9 Ų98.966%0.66465%0.651SS**Hα-helixtrans-70.4-22.9173-72.3178.12.800113.8S257 T258 G263S257-Q261 WeakPolarHBondContact O-CG 3.36Å; S257-Q261 PolarHBondContact O-N 3.05Å; S257-Q261 VanDerWaalsContact O-N 3.11Å; T258-Q261 PolarHBondContact O-N 3.22Å; Q261-G263 VanDerWaalsContact C-N 3.34Å
262M50Low47.5Very low129 Ų12997.7 Ų97.764%0.63564%0.643SS**THydrogen-bonded Turntrans-88.64.9167.9-65.3-167.9-61.600113.6T258 L259 T260 I264T258-M262 WeakPolarHBondContact O-CG 3.43Å; T258-M262 PolarHBondContact O-N 3.27Å; L259-M262 HydrophobicContact CD2-CE 4.18Å; L259-M262 CarbonylContact O-C 3.5Å; L259-M262 PolarHBondContact O-N 3.42Å; T260-M262 VanDerWaalsContact C-N 3.3Å; T260-M262 PolarHBondContact O-N 2.89Å; M262-I264 PolarHBondContact O-N 3.43Å
263G49.2Very low47Very low51 Ų51103.7 Ų103.753%0.52666%0.656SS.*THydrogen-bonded Turntrans77.413.6172.600000115.9L259 T260 Q261 N265L259-G263 PolarHBondContact O-N 3.49Å; L259-G263 VanDerWaalsContact O-N 3.15Å; T260-G263 PolarHBondContact O-N 3.26Å; Q261-G263 VanDerWaalsContact C-N 3.34Å; G263-N265 VanDerWaalsContact C-N 3.34Å; G263-N265 PolarHBondContact O-N 2.69Å; G263-N265 VanDerWaalsContact O-N 3.08Å
264I50.1Low46.6Very low109 Ų109109.9 Ų109.956%0.55967%0.67SS**  trans-87.474.3-177.9-52.4179.4000109.7L259 M262L259-I264 HydrophobicContact CD2-CD1 4.05Å; L259-I264 PolarHBondContact O-N 3.32Å; M262-I264 PolarHBondContact O-N 3.43Å
265N46Very low45.6Very low115 Ų115112 Ų11262%0.61568%0.675SS**  trans-93.1122.8173.8-72.424.7000110.3G263 A267G263-N265 VanDerWaalsContact C-N 3.34Å; G263-N265 PolarHBondContact O-N 2.69Å; G263-N265 VanDerWaalsContact O-N 3.08Å; N265-A267 PolarHBondContact O-N 3.21Å
266T43.8Very low45Very low141 Ų141112.3 Ų112.387%0.86568%0.684SS**  trans-74.891.4177.751.70000111.4G268T266-G268 PolarHBondContact O-N 3.45Å; T266-G268 VanDerWaalsContact O-N 3.12Å
267A42Very low44.1Very low109 Ų109113.4 Ų113.490%0.90169%0.693SS**  trans-72.2100.6178.100000111.7N265N265-A267 PolarHBondContact O-N 3.21Å
268G44.4Very low43.8Very low83 Ų83115.8 Ų115.886%0.85671%0.707SS**  trans-140.679.6177.300000111.9T266T266-G268 PolarHBondContact O-N 3.45Å; T266-G268 VanDerWaalsContact O-N 3.12Å
269G37.2Very low43.4Very low77 Ų77118.3 Ų118.379%0.79472%0.722SS**  trans-166.6119.5178.500000111.2
270N41.8Very low42.7Very low173 Ų173118.6 Ų118.693%0.92573%0.731SS**  trans-83.3129.8-177.7-173.215.1000110.6
271G32.7Very low41.7Very low72 Ų72120.1 Ų120.174%0.74274%0.74SS**  trans-172.382.5-175.700000112.8Y273G271-Y273 PolarHBondContact O-N 2.84Å
272S41Very low41.5Very low101 Ų101118.7 Ų118.771%0.70674%0.737SS**  trans-79.1111.4177.9-179.10000111.8
273Y34.3Very low41Very low223 Ų223117 Ų11788%0.87574%0.738SS**  trans-151.3156.6144.8-80.3-58.5000110.6G271 Q275G271-Y273 PolarHBondContact O-N 2.84Å; Y273-Q275 PolarHBondContact O-N 2.94Å
274H40.5Very low40.7Very low184 Ų184118.3 Ų118.385%0.85273%0.732SS**  trans-65.3123.7-164.3-54.5-99.4000114.9
275Q30.6Very low41Very low190 Ų190117.4 Ų117.489%0.88873%0.733SS**  trans-159.5161.3149.5-107.5-179.918.400110.4Y273Y273-Q275 PolarHBondContact O-N 2.94Å
276P40.3Very low41.1Very low121 Ų121117.6 Ų117.679%0.78673%0.734SS**  trans-76164-173.931.6-34.8000113.6
277A37.6Very low41.6Very low80 Ų80115 Ų11566%0.66172%0.715SS**  trans-61.7145.9-167.600000115.2V279A277-V279 PolarHBondContact O-N 3.22Å
278P42.3Very low42.2Very low110 Ų110113.9 Ų113.971%0.71469%0.691SS**  trans-7784.5-18032.7-36.2000112S280P278-S280 PolarHBondContact O-N 2.98Å
279V44Very low42.7Very low118 Ų118113.2 Ų113.272%0.71567%0.674SS**G310 helixtrans-73.23.3170.4-65.80000113.7A277 T281A277-V279 PolarHBondContact O-N 3.22Å; V279-T281 PolarHBondContact O-N 2.92Å
280S40.9Very low43.4Very low83 Ų83112.5 Ų112.558%0.5866%0.656SS**G310 helixtrans-77.5-18.1-163.9-35.90000115.8P278 L282 S283P278-S280 PolarHBondContact O-N 2.98Å; S280-L282 VanDerWaalsContact C-N 3.28Å; S280-L282 PolarHBondContact O-N 3.15Å; S280-S283 WeakPolarHBondContact O-CB 3.32Å; S280-S283 PolarHBondContact O-N 3.13Å; S280-S283 PolarHBondContact O-OG 3.05Å
281T39.9Very low44.1Very low111 Ų111107.8 Ų107.868%0.68163%0.63SS**G310 helixtrans-73.7-19.5-177.548.70000113.3V279 S283V279-T281 PolarHBondContact O-N 2.92Å; T281-S283 VanDerWaalsContact C-N 3.31Å
282L42.2Very low45.2Very low113 Ų113108.3 Ų108.359%0.59262%0.623SS**G310 helixtrans-81.8-5.1173.2-74.3172.6000113.4S280 N284 Q288S280-L282 VanDerWaalsContact C-N 3.28Å; S280-L282 PolarHBondContact O-N 3.15Å; L282-N284 PolarHBondContact O-N 3.25Å; L282-Q288 VanDerWaalsContact O-CG 3.28Å; L282-Q288 WeakPolarHBondContact O-CG 3.28Å; L282-Q288 PolarHBondContact O-NE2 3.39Å
283S39.2Very low46.1Very low94 Ų94106.3 Ų106.366%0.65760%0.604SS**  trans-80.210.9-176.7-54.10000114.7S280 T281 P285S280-S283 WeakPolarHBondContact O-CB 3.32Å; S280-S283 PolarHBondContact O-N 3.13Å; S280-S283 PolarHBondContact O-OG 3.05Å; T281-S283 VanDerWaalsContact C-N 3.31Å; S283-P285 VanDerWaalsContact O-CD 3.3Å; S283-P285 WeakPolarHBondContact O-CD 3.47Å
284N42.9Very low47.6Very low77 Ų77100.1 Ų100.141%0.41259%0.591SS.*  trans-87.3105.7180-126.6-33.7000110.2L282 N286 L287 Q288L282-N284 PolarHBondContact O-N 3.25Å; N284-N286 PolarHBondContact O-N 3.36Å; N284-N286 VanDerWaalsContact O-N 3.14Å; N284-L287 HydrophobicContact CB-CB 4.1Å; N284-L287 HydrophobicContact CB-CD1 3.97Å; N284-L287 HydrophobicContact CB-CG 4.19Å; N284-L287 PolarHBondContact O-N 3.02Å; N284-Q288 PolarHBondContact O-N 2.87Å
285P57.2Low48.4Very low90 Ų9096.6 Ų96.658%0.58458%0.579SS**Hα-helixtrans-64-25.4-171.825.6-34.8000113.2S283 S289S283-P285 VanDerWaalsContact O-CD 3.3Å; S283-P285 WeakPolarHBondContact O-CD 3.47Å; P285-S289 WeakPolarHBondContact O-CB 3.44Å; P285-S289 PolarHBondContact O-N 3.34Å; P285-S289 PolarHBondContact O-OG 3.32Å
286N47.7Very low50Low119 Ų11990.8 Ų90.864%0.63655%0.553SS**Hα-helixtrans-76.7-31.5176.5-67-8.4000112.6N284 S289 S290N284-N286 PolarHBondContact O-N 3.36Å; N284-N286 VanDerWaalsContact O-N 3.14Å; N286-S289 WeakPolarHBondContact CA-OG 3.41Å; N286-S289 PolarHBondContact O-OG 3.12Å; N286-S290 WeakPolarHBondContact O-CB 3.42Å; N286-S290 PolarHBondContact O-N 3.48Å; N286-S290 PolarHBondContact O-OG 3.02Å
287L54.1Low51Low88 Ų8889.4 Ų89.446%0.46154%0.536SS..Hα-helixtrans-77.6-38.8171.9-69.4174.1000110.8N284 S290 L291N284-L287 HydrophobicContact CB-CB 4.1Å; N284-L287 HydrophobicContact CB-CD1 3.97Å; N284-L287 HydrophobicContact CB-CG 4.19Å; N284-L287 PolarHBondContact O-N 3.02Å; L287-S290 PolarHBondContact O-N 3.05Å; L287-L291 WeakPolarHBondContact O-CB 3.46Å; L287-L291 WeakPolarHBondContact O-CG 3.4Å; L287-L291 PolarHBondContact O-N 2.99Å
288Q55.2Low51.9Low84 Ų8488.2 Ų88.239%0.39352%0.523SS..Hα-helixtrans-60.2-48.9173-73.5-67.3-700111.8L282 N284 S290 L291 S292L282-Q288 VanDerWaalsContact O-CG 3.28Å; L282-Q288 WeakPolarHBondContact O-CG 3.28Å; L282-Q288 PolarHBondContact O-NE2 3.39Å; N284-Q288 PolarHBondContact O-N 2.87Å; Q288-S290 VanDerWaalsContact C-N 3.28Å; Q288-S290 PolarHBondContact O-N 3.15Å; Q288-L291 CarbonylContact O-C 3.57Å; Q288-L291 PolarHBondContact O-N 3.09Å; Q288-S292 VanDerWaalsContact O-CB 3.3Å; Q288-S292 WeakPolarHBondContact O-CB 3.44Å; Q288-S292 PolarHBondContact O-N 2.81Å; Q288-S292 PolarHBondContact O-OG 3.38Å
289S54.9Low52.4Low70 Ų7086.4 Ų86.449%0.4951%0.513SS..Hα-helixtrans-66.7-27177.750.40000113.7P285 N286 S292P285-S289 WeakPolarHBondContact O-CB 3.44Å; P285-S289 PolarHBondContact O-N 3.34Å; P285-S289 PolarHBondContact O-OG 3.32Å; N286-S289 WeakPolarHBondContact CA-OG 3.41Å; N286-S289 PolarHBondContact O-OG 3.12Å; S289-S292 WeakPolarHBondContact CA-OG 3.26Å; S289-S292 PolarHBondContact O-OG 3.3Å
290S51.3Low53.1Low61 Ų6185.2 Ų85.243%0.42750%0.502SS..Hα-helixtrans-71.5-46170.2-60.70000111.7N286 L287 Q288 N293N286-S290 WeakPolarHBondContact O-CB 3.42Å; N286-S290 PolarHBondContact O-N 3.48Å; N286-S290 PolarHBondContact O-OG 3.02Å; L287-S290 PolarHBondContact O-N 3.05Å; Q288-S290 VanDerWaalsContact C-N 3.28Å; Q288-S290 PolarHBondContact O-N 3.15Å; S290-N293 WeakPolarHBondContact O-CB 3.44Å; S290-N293 PolarHBondContact O-N 3.47Å
291L56.6Low53.8Low74 Ų7485.3 Ų85.339%0.38750%0.503SS..Hα-helixtrans-76.8-20.8-179.7-69.1173.1000113.4L287 Q288 Q297L287-L291 WeakPolarHBondContact O-CB 3.46Å; L287-L291 WeakPolarHBondContact O-CG 3.4Å; L287-L291 PolarHBondContact O-N 2.99Å; Q288-L291 CarbonylContact O-C 3.57Å; Q288-L291 PolarHBondContact O-N 3.09Å; L291-Q297 WeakPolarHBondContact O-CG 3.28Å; L291-Q297 PolarHBondContact O-NE2 3.12Å
292S56.9Low54.1Low83 Ų8382.6 Ų82.658%0.5849%0.488SS*.THydrogen-bonded Turntrans-83.93.317174.10000113Q288 S289 P294Q288-S292 VanDerWaalsContact O-CB 3.3Å; Q288-S292 WeakPolarHBondContact O-CB 3.44Å; Q288-S292 PolarHBondContact O-N 2.81Å; Q288-S292 PolarHBondContact O-OG 3.38Å; S289-S292 WeakPolarHBondContact CA-OG 3.26Å; S289-S292 PolarHBondContact O-OG 3.3Å; S292-P294 WeakPolarHBondContact O-CD 3.3Å
293N58.8Low54.5Low60 Ų6085.3 Ų85.332%0.32150%0.498SS..  trans-70.7116.8171.9-174.9-24.5000109.1S290 N295 I296 Q297S290-N293 WeakPolarHBondContact O-CB 3.44Å; S290-N293 PolarHBondContact O-N 3.47Å; N293-N295 PolarHBondContact O-N 2.84Å; N293-N295 VanDerWaalsContact O-N 3.08Å; N293-N295 WeakPolarHBondContact OD1-CB 3.44Å; N293-N295 PolarHBondContact OD1-N 3.21Å; N293-N295 VanDerWaalsContact OD1-N 3.11Å; N293-N295 PolarHBondContact OD1-ND2 3.28Å; N293-I296 HydrophobicContact CB-CB 4.36Å; N293-I296 HydrophobicContact CB-CD1 4.23Å; N293-I296 HydrophobicContact CB-CG1 4.16Å; N293-I296 PolarHBondContact O-N 3.29Å; N293-Q297 PolarHBondContact O-N 2.94Å; N293-Q297 VanDerWaalsContact O-N 3.09Å
294P67.1Low55.2Low93 Ų9385 Ų8560%0.60450%0.496SS*.Hα-helixtrans-63-21.9-174.325.6-34.9000113S292 S298S292-P294 WeakPolarHBondContact O-CD 3.3Å; P294-S298 VanDerWaalsContact O-CB 3.25Å; P294-S298 WeakPolarHBondContact O-CB 3.36Å; P294-S298 PolarHBondContact O-N 3.46Å; P294-S298 PolarHBondContact O-OG 2.94Å; P294-S298 VanDerWaalsContact O-OG 3.1Å
295N56.4Low55.8Low109 Ų10986.1 Ų86.158%0.58350%0.497SS*.Hα-helixtrans-76.3-28.2175.7-58.4-66.3000112.9N293 S298 S299N293-N295 PolarHBondContact O-N 2.84Å; N293-N295 VanDerWaalsContact O-N 3.08Å; N293-N295 WeakPolarHBondContact OD1-CB 3.44Å; N293-N295 PolarHBondContact OD1-N 3.21Å; N293-N295 VanDerWaalsContact OD1-N 3.11Å; N293-N295 PolarHBondContact OD1-ND2 3.28Å; N295-S298 WeakPolarHBondContact CA-OG 3.43Å; N295-S298 PolarHBondContact O-OG 3.21Å; N295-S299 WeakPolarHBondContact O-CB 3.45Å; N295-S299 PolarHBondContact O-N 3.31Å; N295-S299 VanDerWaalsContact O-N 3.1Å; N295-S299 PolarHBondContact O-OG 3.43Å
296I65.1Low55.9Low69 Ų6984.9 Ų84.935%0.35449%0.491SS..Hα-helixtrans-80.5-40.9175.6-61.6-176.4000108.9N293 S299 L300N293-I296 HydrophobicContact CB-CB 4.36Å; N293-I296 HydrophobicContact CB-CD1 4.23Å; N293-I296 HydrophobicContact CB-CG1 4.16Å; N293-I296 PolarHBondContact O-N 3.29Å; I296-S299 PolarHBondContact O-N 2.71Å; I296-L300 HydrophobicContact CG2-CD1 4.03Å; I296-L300 WeakPolarHBondContact O-CB 3.43Å; I296-L300 WeakPolarHBondContact O-CG 3.39Å; I296-L300 PolarHBondContact O-N 3.09Å
297Q60.1Low56.1Low92 Ų9284.6 Ų84.643%0.4349%0.489SS..Hα-helixtrans-61.5-44.1171.3-71.2-64.9-18.200112.6L291 N293 S299 L300 S301L291-Q297 WeakPolarHBondContact O-CG 3.28Å; L291-Q297 PolarHBondContact O-NE2 3.12Å; N293-Q297 PolarHBondContact O-N 2.94Å; N293-Q297 VanDerWaalsContact O-N 3.09Å; Q297-S299 VanDerWaalsContact C-N 3.31Å; Q297-S299 PolarHBondContact O-N 3.31Å; Q297-L300 PolarHBondContact O-N 2.91Å; Q297-S301 WeakPolarHBondContact O-CB 3.44Å; Q297-S301 PolarHBondContact O-N 3.11Å; Q297-S301 PolarHBondContact O-OG 3.05Å
298S56.4Low56.1Low55 Ų5583.8 Ų83.839%0.38549%0.491SS..Hα-helixtrans-66.5-32.3175.268.90000112.3P294 N295 S301 S302P294-S298 VanDerWaalsContact O-CB 3.25Å; P294-S298 WeakPolarHBondContact O-CB 3.36Å; P294-S298 PolarHBondContact O-N 3.46Å; P294-S298 PolarHBondContact O-OG 2.94Å; P294-S298 VanDerWaalsContact O-OG 3.1Å; N295-S298 WeakPolarHBondContact CA-OG 3.43Å; N295-S298 PolarHBondContact O-OG 3.21Å; S298-S301 WeakPolarHBondContact CA-OG 3.17Å; S298-S302 VanDerWaalsContact O-CB 3.26Å; S298-S302 WeakPolarHBondContact O-CB 3.34Å; S298-S302 PolarHBondContact O-N 2.92Å; S298-S302 PolarHBondContact O-OG 2.85Å
299S53.4Low56.1Low72 Ų7284.5 Ų84.550%0.50350%0.497SS..Hα-helixtrans-68.8-39.4174.6-60.50000112.6N295 I296 Q297N295-S299 WeakPolarHBondContact O-CB 3.45Å; N295-S299 PolarHBondContact O-N 3.31Å; N295-S299 VanDerWaalsContact O-N 3.1Å; N295-S299 PolarHBondContact O-OG 3.43Å; I296-S299 PolarHBondContact O-N 2.71Å; Q297-S299 VanDerWaalsContact C-N 3.31Å; Q297-S299 PolarHBondContact O-N 3.31Å
300L58.5Low56Low93 Ų9384.7 Ų84.749%0.48750%0.498SS..Hα-helixtrans-78-34.2179.4-69.3171000113I296 Q297 F305I296-L300 HydrophobicContact CG2-CD1 4.03Å; I296-L300 WeakPolarHBondContact O-CB 3.43Å; I296-L300 WeakPolarHBondContact O-CG 3.39Å; I296-L300 PolarHBondContact O-N 3.09Å; Q297-L300 PolarHBondContact O-N 2.91Å; L300-F305 HydrophobicContact CD2-CE1 4.31Å
301S56.6Low55.8Low85 Ų8583.7 Ų83.759%0.59449%0.491SS*.Hα-helixtrans-85.4-7.9174.659.80000113.9Q297 S298 H303Q297-S301 WeakPolarHBondContact O-CB 3.44Å; Q297-S301 PolarHBondContact O-N 3.11Å; Q297-S301 PolarHBondContact O-OG 3.05Å; S298-S301 WeakPolarHBondContact CA-OG 3.17Å; S301-H303 PolarHBondContact O-N 3.05Å; S301-H303 VanDerWaalsContact O-N 3.17Å
302S46.3Very low55.7Low54 Ų5484 Ų8438%0.37850%0.504SS..  trans-60.8119173-820000110.4S298 S304 F305S298-S302 VanDerWaalsContact O-CB 3.26Å; S298-S302 WeakPolarHBondContact O-CB 3.34Å; S298-S302 PolarHBondContact O-N 2.92Å; S298-S302 PolarHBondContact O-OG 2.85Å; S302-S304 PolarHBondContact O-N 2.93Å; S302-F305 WeakPolarHBondContact O-CB 3.48Å; S302-F305 PolarHBondContact O-N 3.14Å
303H49.6Very low55.7Low170 Ų17084.1 Ų84.179%0.78751%0.505SS*.Hα-helixtrans-51.1-30175.7-65.5-74.8000112.7S301 F305 S306 N307S301-H303 PolarHBondContact O-N 3.05Å; S301-H303 VanDerWaalsContact O-N 3.17Å; H303-F305 VanDerWaalsContact C-N 3.32Å; H303-F305 PolarHBondContact O-N 2.71Å; H303-S306 PolarHBondContact O-N 2.92Å; H303-N307 VanDerWaalsContact O-CB 3.3Å; H303-N307 WeakPolarHBondContact O-CB 3.36Å; H303-N307 PolarHBondContact O-N 3.48Å
304S53.9Low55.7Low88 Ų8884.9 Ų84.962%0.61551%0.509SS*.Hα-helixtrans-56.5-37.2173.1-49.80000114.1S302 N307 S308S302-S304 PolarHBondContact O-N 2.93Å; S304-N307 PolarHBondContact O-N 3.32Å; S304-S308 WeakPolarHBondContact O-CB 3.38Å; S304-S308 PolarHBondContact O-N 3.16Å; S304-S308 PolarHBondContact O-OG 3.13Å
305F55.9Low55.2Low100 Ų10086.4 Ų86.444%0.43951%0.507SS..Hα-helixtrans-69.8-46.3178.1-179-108.9000111.2L300 S302 H303 N307 S308 L309L300-F305 HydrophobicContact CD2-CE1 4.31Å; S302-F305 WeakPolarHBondContact O-CB 3.48Å; S302-F305 PolarHBondContact O-N 3.14Å; H303-F305 VanDerWaalsContact C-N 3.32Å; H303-F305 PolarHBondContact O-N 2.71Å; F305-N307 VanDerWaalsContact C-N 3.3Å; F305-N307 PolarHBondContact O-N 3.08Å; F305-S308 PolarHBondContact O-N 2.88Å; F305-L309 HydrophobicContact CD1-CD1 4.14Å; F305-L309 HydrophobicContact CE1-CD1 3.64Å; F305-L309 HydrophobicContact CZ-CD1 3.85Å; F305-L309 HydrophobicContact CZ-CG 4.47Å; F305-L309 WeakPolarHBondContact O-CG 3.26Å; F305-L309 PolarHBondContact O-N 2.97Å
306S58.3Low55.1Low64 Ų6484.8 Ų84.845%0.44851%0.505SS..Hα-helixtrans-60.1-39.4173-178.10000112.2H303 L309 S310H303-S306 PolarHBondContact O-N 2.92Å; S306-L309 PolarHBondContact O-N 3.32Å; S306-S310 VanDerWaalsContact O-CB 3.25Å; S306-S310 WeakPolarHBondContact O-CB 3.5Å; S306-S310 PolarHBondContact O-N 3.13Å; S306-S310 PolarHBondContact O-OG 2.85Å
307N53.1Low54.5Low112 Ų11284.4 Ų84.460%0.59951%0.508SS*.Hα-helixtrans-73.9-31.2178.5-155.426.4000112.8H303 S304 F305 S310 S311H303-N307 VanDerWaalsContact O-CB 3.3Å; H303-N307 WeakPolarHBondContact O-CB 3.36Å; H303-N307 PolarHBondContact O-N 3.48Å; S304-N307 PolarHBondContact O-N 3.32Å; F305-N307 VanDerWaalsContact C-N 3.3Å; F305-N307 PolarHBondContact O-N 3.08Å; N307-S310 CarbonylContact O-C 3.54Å; N307-S311 WeakPolarHBondContact O-CA 3.35Å; N307-S311 PolarHBondContact O-N 2.86Å; N307-S311 PolarHBondContact O-OG 3.4Å
308S52.8Low54.4Low72 Ų7284.8 Ų84.850%0.50351%0.513SS..Hα-helixtrans-65.2-42.8169-70.80000111.7S304 F305 S311 L314S304-S308 WeakPolarHBondContact O-CB 3.38Å; S304-S308 PolarHBondContact O-N 3.16Å; S304-S308 PolarHBondContact O-OG 3.13Å; F305-S308 PolarHBondContact O-N 2.88Å; S308-S311 VanDerWaalsContact O-CB 3.3Å; S308-S311 WeakPolarHBondContact O-CB 3.39Å; S308-S311 PolarHBondContact O-N 3.19Å; S308-S311 PolarHBondContact O-OG 3.43Å; S308-L314 WeakPolarHBondContact O-CD1 3.2Å
309L56.1Low54.3Low99 Ų9985.4 Ų85.452%0.51852%0.517SS..Hα-helixtrans-68-39.4175.1-68.9175.9000112.3F305 S306 S311F305-L309 HydrophobicContact CD1-CD1 4.14Å; F305-L309 HydrophobicContact CE1-CD1 3.64Å; F305-L309 HydrophobicContact CZ-CD1 3.85Å; F305-L309 HydrophobicContact CZ-CG 4.47Å; F305-L309 WeakPolarHBondContact O-CG 3.26Å; F305-L309 PolarHBondContact O-N 2.97Å; S306-L309 PolarHBondContact O-N 3.32Å; L309-S311 PolarHBondContact O-N 3.18Å
310S52.1Low54.2Low73 Ų7385.4 Ų85.451%0.5151%0.511SS..THydrogen-bonded Turntrans-81.14.7177.3-50.50000113.5S306 N307 A312S306-S310 VanDerWaalsContact O-CB 3.25Å; S306-S310 WeakPolarHBondContact O-CB 3.5Å; S306-S310 PolarHBondContact O-N 3.13Å; S306-S310 PolarHBondContact O-OG 2.85Å; N307-S310 CarbonylContact O-C 3.54Å; S310-A312 PolarHBondContact O-N 3.4Å
311S46.9Very low54.2Low41 Ų4185.3 Ų85.329%0.28752%0.516SS..  trans-66.5131.2-177.1-79.30000110.9N307 S308 L309 S313 L314 H315N307-S311 WeakPolarHBondContact O-CA 3.35Å; N307-S311 PolarHBondContact O-N 2.86Å; N307-S311 PolarHBondContact O-OG 3.4Å; S308-S311 VanDerWaalsContact O-CB 3.3Å; S308-S311 WeakPolarHBondContact O-CB 3.39Å; S308-S311 PolarHBondContact O-N 3.19Å; S308-S311 PolarHBondContact O-OG 3.43Å; L309-S311 PolarHBondContact O-N 3.18Å; S311-S313 PolarHBondContact O-N 2.74Å; S311-L314 PolarHBondContact O-N 3.3Å; S311-H315 PolarHBondContact O-N 3.45Å
312A54.2Low54Low80 Ų8085 Ų8566%0.66151%0.514SS*.Hα-helixtrans-53.9-26.5176.200000112.7S310 H315 S316S310-A312 PolarHBondContact O-N 3.4Å; A312-H315 PolarHBondContact O-N 2.84Å; A312-S316 VanDerWaalsContact O-CB 3.25Å; A312-S316 WeakPolarHBondContact O-CB 3.2Å; A312-S316 PolarHBondContact O-N 3.32Å
313S58Low54.4Low86 Ų8686.4 Ų86.460%0.60152%0.517SS*.Hα-helixtrans-60.1-39.9172.1-43.20000113.6S311 S317S311-S313 PolarHBondContact O-N 2.74Å; S313-S317 WeakPolarHBondContact O-CB 3.3Å; S313-S317 PolarHBondContact O-N 2.72Å; S313-S317 PolarHBondContact O-OG 3.28Å
314L57.6Low54.6Low76 Ų7683.3 Ų83.340%0.39850%0.503SS..Hα-helixtrans-75-40.4176.4-67.8-173.7000111.3S308 S311 S316 S317 L318S308-L314 WeakPolarHBondContact O-CD1 3.2Å; S311-L314 PolarHBondContact O-N 3.3Å; L314-S316 VanDerWaalsContact C-N 3.3Å; L314-S316 PolarHBondContact O-N 3.19Å; L314-S317 PolarHBondContact O-N 3.35Å; L314-L318 WeakPolarHBondContact O-CB 3.25Å; L314-L318 WeakPolarHBondContact O-CG 3.47Å; L314-L318 PolarHBondContact O-N 3.43Å
315H57.5Low54.6Low124 Ų12482.6 Ų82.657%0.57450%0.498SS*.Hα-helixtrans-59.7-42.2172.3-79.4-118.9000111.4S311 A312 L318 S319S311-H315 PolarHBondContact O-N 3.45Å; A312-H315 PolarHBondContact O-N 2.84Å; H315-L318 PolarHBondContact O-N 3.35Å; H315-S319 VanDerWaalsContact O-CB 3.26Å; H315-S319 WeakPolarHBondContact O-CB 3.46Å; H315-S319 PolarHBondContact O-N 3.44Å; H315-S319 PolarHBondContact O-OG 2.79Å
316S54.3Low54.2Low75 Ų7581.2 Ų81.252%0.52450%0.501SS..Hα-helixtrans-59.9-49.8173.7-173.50000111.3A312 L314 L318 S319 N320A312-S316 VanDerWaalsContact O-CB 3.25Å; A312-S316 WeakPolarHBondContact O-CB 3.2Å; A312-S316 PolarHBondContact O-N 3.32Å; L314-S316 VanDerWaalsContact C-N 3.3Å; L314-S316 PolarHBondContact O-N 3.19Å; S316-L318 PolarHBondContact O-N 3.26Å; S316-S319 WeakPolarHBondContact CA-OG 3.25Å; S316-S319 CarbonylContact O-C 3.6Å; S316-S319 PolarHBondContact O-N 3.35Å; S316-S319 VanDerWaalsContact O-N 3.13Å; S316-S319 PolarHBondContact O-OG 3.29Å; S316-N320 PolarHBondContact O-N 3.17Å
317S52.9Low53.8Low61 Ų6180.9 Ų80.943%0.42749%0.494SS..Hα-helixtrans-59.2-41.5176.3-64.50000113.3S313 L314 S319 N320 L323S313-S317 WeakPolarHBondContact O-CB 3.3Å; S313-S317 PolarHBondContact O-N 2.72Å; S313-S317 PolarHBondContact O-OG 3.28Å; L314-S317 PolarHBondContact O-N 3.35Å; S317-S319 VanDerWaalsContact C-N 3.35Å; S317-N320 WeakPolarHBondContact O-CB 3.2Å; S317-N320 PolarHBondContact O-N 2.75Å; S317-L323 WeakPolarHBondContact O-CD1 3.49Å
318L57.6Low53.8Low100 Ų10080.2 Ų80.252%0.52450%0.498SS..Hα-helixtrans-77.2-19.8177.2-66.2171.7000113.2L314 H315 S316 N320 Q324L314-L318 WeakPolarHBondContact O-CB 3.25Å; L314-L318 WeakPolarHBondContact O-CG 3.47Å; L314-L318 PolarHBondContact O-N 3.43Å; H315-L318 PolarHBondContact O-N 3.35Å; S316-L318 PolarHBondContact O-N 3.26Å; L318-N320 VanDerWaalsContact C-N 3.3Å; L318-Q324 WeakPolarHBondContact O-CG 3.49Å; L318-Q324 PolarHBondContact O-NE2 2.87Å
319S53.5Low53.3Low69 Ų6981 Ų8148%0.48350%0.503SS..THydrogen-bonded Turntrans-81.8-6.3170.575.40000113.7H315 S316 S317 P321H315-S319 VanDerWaalsContact O-CB 3.26Å; H315-S319 WeakPolarHBondContact O-CB 3.46Å; H315-S319 PolarHBondContact O-N 3.44Å; H315-S319 PolarHBondContact O-OG 2.79Å; S316-S319 WeakPolarHBondContact CA-OG 3.25Å; S316-S319 CarbonylContact O-C 3.6Å; S316-S319 PolarHBondContact O-N 3.35Å; S316-S319 VanDerWaalsContact O-N 3.13Å; S316-S319 PolarHBondContact O-OG 3.29Å; S317-S319 VanDerWaalsContact C-N 3.35Å; S319-P321 WeakPolarHBondContact O-CD 3.3Å
320N51.9Low52.7Low71 Ų7178.5 Ų78.538%0.3849%0.494SS..  trans-67.1116.7-179.4-169.6-28000109.9S316 S317 L318 S322 L323 Q324S316-N320 PolarHBondContact O-N 3.17Å; S317-N320 WeakPolarHBondContact O-CB 3.2Å; S317-N320 PolarHBondContact O-N 2.75Å; L318-N320 VanDerWaalsContact C-N 3.3Å; N320-S322 PolarHBondContact O-N 2.95Å; N320-S322 VanDerWaalsContact O-N 3.13Å; N320-S322 PolarHBondContact OD1-N 2.97Å; N320-L323 HydrophobicContact CB-CD1 4.44Å; N320-L323 PolarHBondContact O-N 2.99Å; N320-Q324 PolarHBondContact O-N 2.8Å; N320-Q324 VanDerWaalsContact O-N 3.11Å
321P58.3Low52.8Low91 Ų9180.3 Ų80.359%0.59150%0.504SS*.Hα-helixtrans-61.1-29.8-170.423.2-34.1000112.7S319 L323 Q324 S325S319-P321 WeakPolarHBondContact O-CD 3.3Å; P321-L323 VanDerWaalsContact C-N 3.34Å; P321-L323 PolarHBondContact O-N 3.22Å; P321-Q324 PolarHBondContact O-N 2.76Å; P321-S325 PolarHBondContact O-N 2.84Å; P321-S325 PolarHBondContact O-OG 2.93Å; P321-S325 VanDerWaalsContact O-OG 3.05Å
322S52.4Low52.6Low79 Ų7982.1 Ų82.155%0.55252%0.517SS*.Hα-helixtrans-62.4-38.7175.3-50.40000112.6N320 S326N320-S322 PolarHBondContact O-N 2.95Å; N320-S322 VanDerWaalsContact O-N 3.13Å; N320-S322 PolarHBondContact OD1-N 2.97Å; S322-S326 PolarHBondContact O-N 3.24Å; S322-S326 PolarHBondContact O-OG 2.97Å
323L54.4Low52.2Low84 Ų8482.2 Ų82.244%0.4451%0.505SS..Hα-helixtrans-77.6-34.2176.6-72.8173.3000111.6S317 N320 P321 S325 S326 L327S317-L323 WeakPolarHBondContact O-CD1 3.49Å; N320-L323 HydrophobicContact CB-CD1 4.44Å; N320-L323 PolarHBondContact O-N 2.99Å; P321-L323 VanDerWaalsContact C-N 3.34Å; P321-L323 PolarHBondContact O-N 3.22Å; L323-S325 VanDerWaalsContact C-N 3.33Å; L323-S326 PolarHBondContact O-N 3.09Å; L323-L327 WeakPolarHBondContact O-CB 3.39Å; L323-L327 VanDerWaalsContact O-CG 3.28Å; L323-L327 WeakPolarHBondContact O-CG 3.33Å; L323-L327 PolarHBondContact O-N 3.08Å
324Q55.7Low51.8Low105 Ų10581.4 Ų81.449%0.49150%0.498SS..Hα-helixtrans-64.7-36.9171.9-63.9-168.7-3.400112.1L318 N320 P321 L327 S328L318-Q324 WeakPolarHBondContact O-CG 3.49Å; L318-Q324 PolarHBondContact O-NE2 2.87Å; N320-Q324 PolarHBondContact O-N 2.8Å; N320-Q324 VanDerWaalsContact O-N 3.11Å; P321-Q324 PolarHBondContact O-N 2.76Å; Q324-L327 PolarHBondContact O-N 3.11Å; Q324-S328 WeakPolarHBondContact O-CB 3.4Å; Q324-S328 PolarHBondContact O-N 3.23Å; Q324-S328 PolarHBondContact O-OG 2.71Å
325S53.3Low51.1Low73 Ų7381.1 Ų81.151%0.5150%0.503SS..Hα-helixtrans-58.2-53.5170-62.50000111.1P321 L323 L327 S328 S329P321-S325 PolarHBondContact O-N 2.84Å; P321-S325 PolarHBondContact O-OG 2.93Å; P321-S325 VanDerWaalsContact O-OG 3.05Å; L323-S325 VanDerWaalsContact C-N 3.33Å; S325-L327 VanDerWaalsContact C-N 3.29Å; S325-L327 PolarHBondContact O-N 3Å; S325-S328 PolarHBondContact O-N 3.43Å; S325-S328 VanDerWaalsContact O-N 3.09Å; S325-S328 PolarHBondContact O-OG 3.38Å; S325-S329 PolarHBondContact O-N 2.99Å; S325-S329 VanDerWaalsContact O-N 3.12Å; S325-S329 PolarHBondContact O-OG 3Å
326S48.1Very low50.3Low70 Ų7079 Ų7949%0.4950%0.501SS..Hα-helixtrans-60.3-34178.8-59.30000114.1S322 L323 S329S322-S326 PolarHBondContact O-N 3.24Å; S322-S326 PolarHBondContact O-OG 2.97Å; L323-S326 PolarHBondContact O-N 3.09Å; S326-S329 WeakPolarHBondContact CA-OG 3.49Å; S326-S329 PolarHBondContact O-OG 3.28Å
327L50Low50Low58 Ų5881 Ų8130%0.30451%0.506SS..Hα-helixtrans-74.3-36.6174.2-70.4168.6000112.1L323 Q324 S325 S329 S330 L333L323-L327 WeakPolarHBondContact O-CB 3.39Å; L323-L327 VanDerWaalsContact O-CG 3.28Å; L323-L327 WeakPolarHBondContact O-CG 3.33Å; L323-L327 PolarHBondContact O-N 3.08Å; Q324-L327 PolarHBondContact O-N 3.11Å; S325-L327 VanDerWaalsContact C-N 3.29Å; S325-L327 PolarHBondContact O-N 3Å; L327-S329 VanDerWaalsContact C-N 3.27Å; L327-S329 PolarHBondContact O-N 3.39Å; L327-S330 CarbonylContact O-C 3.49Å; L327-S330 PolarHBondContact O-N 2.87Å; L327-L333 HydrophobicContact CD2-CB 3.92Å; L327-L333 HydrophobicContact CD2-CD1 3.84Å
328S52.4Low49.6Very low98 Ų9882 Ų8269%0.68551%0.513SS*.Hα-helixtrans-66.9-27.6177730000113.2Q324 S325 S330Q324-S328 WeakPolarHBondContact O-CB 3.4Å; Q324-S328 PolarHBondContact O-N 3.23Å; Q324-S328 PolarHBondContact O-OG 2.71Å; S325-S328 PolarHBondContact O-N 3.43Å; S325-S328 VanDerWaalsContact O-N 3.09Å; S325-S328 PolarHBondContact O-OG 3.38Å; S328-S330 PolarHBondContact O-N 3.41Å
329S43.2Very low48.9Very low88 Ų8879.7 Ų79.762%0.61551%0.505SS*.THydrogen-bonded Turntrans-77.42.5170.745.90000114.7S325 S326 L327S325-S329 PolarHBondContact O-N 2.99Å; S325-S329 VanDerWaalsContact O-N 3.12Å; S325-S329 PolarHBondContact O-OG 3Å; S326-S329 WeakPolarHBondContact CA-OG 3.49Å; S326-S329 PolarHBondContact O-OG 3.28Å; L327-S329 VanDerWaalsContact C-N 3.27Å; L327-S329 PolarHBondContact O-N 3.39Å
330S43.1Very low48.5Very low46 Ų4684.1 Ų84.132%0.32252%0.518SS..  trans-137.887.2178.8-74.50000111.4L327 S328 S332 L333L327-S330 CarbonylContact O-C 3.49Å; L327-S330 PolarHBondContact O-N 2.87Å; S328-S330 PolarHBondContact O-N 3.41Å; S330-S332 PolarHBondContact O-N 3.41Å; S330-L333 PolarHBondContact O-N 3.48Å
331P53.6Low48.2Very low111 Ų11184.6 Ų84.672%0.72153%0.527SS*.THydrogen-bonded Turntrans-65.3-7.7-16825.7-35.4000115.6
332S42.9Very low47.3Very low80 Ų8085.6 Ų85.656%0.55953%0.527SS*.THydrogen-bonded Turntrans-89.3-23.3179.148.70000114.7S330S330-S332 PolarHBondContact O-N 3.41Å
333L44.9Very low46.8Very low81 Ų8188.2 Ų88.242%0.42453%0.53SS..Hα-helixtrans-73.1-43.1-176.1-63.5179.9000115.3L327 S330 S335 S336 L337L327-L333 HydrophobicContact CD2-CB 3.92Å; L327-L333 HydrophobicContact CD2-CD1 3.84Å; S330-L333 PolarHBondContact O-N 3.48Å; L333-S335 PolarHBondContact O-N 3.33Å; L333-S336 PolarHBondContact O-N 3.37Å; L333-L337 PolarHBondContact O-N 2.85Å
334P50.7Low46Very low69 Ų6987.5 Ų87.545%0.44853%0.533SS..Hα-helixtrans-63.7-32.3176.824.5-33.4000111.9S336 L337 S338P334-S336 VanDerWaalsContact C-N 3.34Å; P334-S336 PolarHBondContact O-N 2.98Å; P334-L337 PolarHBondContact O-N 2.93Å; P334-S338 WeakPolarHBondContact O-CB 3.26Å; P334-S338 PolarHBondContact O-N 3.45Å; P334-S338 PolarHBondContact O-OG 2.65Å
335S42.2Very low45Very low71 Ų7187 Ų8750%0.49754%0.54SS..Hα-helixtrans-58.6-43.2176.1-54.10000112.3L333 L337 S338 S339L333-S335 PolarHBondContact O-N 3.33Å; S335-L337 PolarHBondContact O-N 2.86Å; S335-S338 WeakPolarHBondContact CA-OG 3.49Å; S335-S338 PolarHBondContact O-N 2.64Å; S335-S338 PolarHBondContact O-OG 2.86Å; S335-S339 PolarHBondContact O-N 2.86Å
336S40.7Very low44.4Very low78 Ų7889.7 Ų89.755%0.54555%0.549SS..Hα-helixtrans-63.3-39.4176.7-60.60000112.9L333 P334 S339L333-S336 PolarHBondContact O-N 3.37Å; P334-S336 VanDerWaalsContact C-N 3.34Å; P334-S336 PolarHBondContact O-N 2.98Å; S336-S339 WeakPolarHBondContact O-CB 3.49Å; S336-S339 PolarHBondContact O-N 3.1Å; S336-S339 PolarHBondContact O-OG 3.33Å
337L47.3Very low43.8Very low118 Ų11891 Ų9162%0.61856%0.558SS**Hα-helixtrans-75.4-29.5177.3-66.7175.9000112.7L333 P334 S335 S339L333-L337 PolarHBondContact O-N 2.85Å; P334-L337 PolarHBondContact O-N 2.93Å; S335-L337 PolarHBondContact O-N 2.86Å; L337-S339 PolarHBondContact O-N 3.36Å
338S46.4Very low43.1Very low83 Ų8394.5 Ų94.558%0.5858%0.577SS**THydrogen-bonded Turntrans-77.99.7173.270.90000114.4P334 S335 Q340P334-S338 WeakPolarHBondContact O-CB 3.26Å; P334-S338 PolarHBondContact O-N 3.45Å; P334-S338 PolarHBondContact O-OG 2.65Å; S335-S338 WeakPolarHBondContact CA-OG 3.49Å; S335-S338 PolarHBondContact O-N 2.64Å; S335-S338 PolarHBondContact O-OG 2.86Å; S338-Q340 PolarHBondContact O-N 3.16Å
339S41Very low42.4Very low51 Ų5194.8 Ų94.836%0.35758%0.579SS.*  trans-58.3112.4178.2-65.90000111S335 S336 L337 S341 L342S335-S339 PolarHBondContact O-N 2.86Å; S336-S339 WeakPolarHBondContact O-CB 3.49Å; S336-S339 PolarHBondContact O-N 3.1Å; S336-S339 PolarHBondContact O-OG 3.33Å; L337-S339 PolarHBondContact O-N 3.36Å; S339-S341 PolarHBondContact O-N 3.17Å; S339-L342 PolarHBondContact O-N 3.18Å; S339-L342 VanDerWaalsContact O-N 3.13Å
340Q45.4Very low42.3Very low161 Ų16195.4 Ų95.475%0.75258%0.583SS**THydrogen-bonded Turntrans-56.1-21.7-173.5-62.6179.18.700113.5S338 L342 H343 S344S338-Q340 PolarHBondContact O-N 3.16Å; Q340-L342 PolarHBondContact O-N 3.01Å; Q340-L342 VanDerWaalsContact O-N 3.15Å; Q340-H343 WeakPolarHBondContact O-CA 3.32Å; Q340-H343 WeakPolarHBondContact O-CB 3.25Å; Q340-H343 PolarHBondContact O-N 2.98Å; Q340-S344 PolarHBondContact O-N 3.41Å; Q340-S344 PolarHBondContact O-OG 2.81Å
341S45.3Very low41.9Very low82 Ų82101.1 Ų101.157%0.57361%0.609SS**Hα-helixtrans-44.3-40.3171-41.80000114.2S339 S344 S345S339-S341 PolarHBondContact O-N 3.17Å; S341-S344 WeakPolarHBondContact O-CB 3.3Å; S341-S344 PolarHBondContact O-N 3.45Å; S341-S345 PolarHBondContact O-N 3.13Å; S341-S345 PolarHBondContact O-OG 2.93Å
342L41Very low41Very low111 Ų111104.5 Ų104.558%0.58162%0.615SS**Hα-helixtrans-68.7-34.3179.5-66.2177.7000112.2S339 Q340 L346S339-L342 PolarHBondContact O-N 3.18Å; S339-L342 VanDerWaalsContact O-N 3.13Å; Q340-L342 PolarHBondContact O-N 3.01Å; Q340-L342 VanDerWaalsContact O-N 3.15Å; L342-L346 PolarHBondContact O-N 3.26Å
343H40.6Very low40.3Very low134 Ų134106.8 Ų106.862%0.6263%0.631SS**Hα-helixtrans-72.8-36.4172-70.8-98000111.3Q340 S345 L346 S347Q340-H343 WeakPolarHBondContact O-CA 3.32Å; Q340-H343 WeakPolarHBondContact O-CB 3.25Å; Q340-H343 PolarHBondContact O-N 2.98Å; H343-S345 VanDerWaalsContact C-N 3.29Å; H343-S345 PolarHBondContact O-N 3.25Å; H343-L346 PolarHBondContact O-N 3.45Å; H343-L346 VanDerWaalsContact O-N 3.12Å; H343-S347 PolarHBondContact O-N 3.03Å; H343-S347 PolarHBondContact O-OG 2.65Å
344S38.6Very low39.8Very low70 Ų70106.7 Ų106.749%0.4965%0.65SS.*Hα-helixtrans-59.3-37.7173.8-50.10000112.6Q340 S341 S347 N348Q340-S344 PolarHBondContact O-N 3.41Å; Q340-S344 PolarHBondContact O-OG 2.81Å; S341-S344 WeakPolarHBondContact O-CB 3.3Å; S341-S344 PolarHBondContact O-N 3.45Å; S344-S347 PolarHBondContact O-N 3.15Å; S344-N348 PolarHBondContact O-N 3.1Å
345S33.7Very low38.8Very low94 Ų94105.1 Ų105.166%0.65765%0.646SS**Hα-helixtrans-64.5-36.5174.2-65.40000113.2S341 H343S341-S345 PolarHBondContact O-N 3.13Å; S341-S345 PolarHBondContact O-OG 2.93Å; H343-S345 VanDerWaalsContact C-N 3.29Å; H343-S345 PolarHBondContact O-N 3.25Å
346L41.3Very low38.2Very low130 Ų130113 Ų11368%0.68167%0.666SS**Hα-helixtrans-71.9-32.2174.8-67.1170.6000112.3L342 H343 N348L342-L346 PolarHBondContact O-N 3.26Å; H343-L346 PolarHBondContact O-N 3.45Å; H343-L346 VanDerWaalsContact O-N 3.12Å; L346-N348 VanDerWaalsContact C-N 3.34Å; L346-N348 PolarHBondContact O-N 3.29Å
347S35.6Very low37.7Very low98 Ų98113.3 Ų113.369%0.68568%0.682SS**Hα-helixtrans-74.9-17.6-179.2-57.10000114.5H343 S344 S349H343-S347 PolarHBondContact O-N 3.03Å; H343-S347 PolarHBondContact O-OG 2.65Å; S344-S347 PolarHBondContact O-N 3.15Å; S347-S349 PolarHBondContact O-N 3.47Å
348N35Very low36.9Very low130 Ų130111.6 Ų111.670%0.69569%0.693SS**  trans-8839.7-169.1-134.9-14.4000114.3S344 L346 S350S344-N348 PolarHBondContact O-N 3.1Å; L346-N348 VanDerWaalsContact C-N 3.34Å; L346-N348 PolarHBondContact O-N 3.29Å; N348-S350 PolarHBondContact O-N 3.38Å
349S38.3Very low36.1Very low105 Ų105111.8 Ų111.873%0.73471%0.708SS**  trans-92.653.1178.3-64.20000112.1S347S347-S349 PolarHBondContact O-N 3.47Å
350S40.3Very low35.5Very low101 Ų101113.5 Ų113.571%0.70673%0.734SS**  trans-156.165.5-178.6-79.20000114.4N348N348-S350 PolarHBondContact O-N 3.38Å
351L35.2Very low34.8Very low166 Ų166109.6 Ų109.687%0.86974%0.737SS**  trans-123.983.8160.8-76.5179.5000111.5
352Q34Very low34.3Very low182 Ų182113 Ų11385%0.8575%0.753SS**  trans17.2106.9150.5-60.2176.36.500118.1G354Q352-G354 VanDerWaalsContact C-N 3.33Å; Q352-G354 PolarHBondContact O-N 2.95Å; Q352-G354 VanDerWaalsContact O-N 3.08Å
353S29.1Very low33.9Very low128 Ų128112.9 Ų112.990%0.89577%0.769SS**  trans-72.390.1150.4-175.70000109G355S353-G355 PolarHBondContact O-N 3.41Å; S353-G355 VanDerWaalsContact O-N 3.16Å
354G34.3Very low33.4Very low78 Ų78110.2 Ų110.280%0.80478%0.777SS**  trans-79.985178.400000112.2Q352Q352-G354 VanDerWaalsContact C-N 3.33Å; Q352-G354 PolarHBondContact O-N 2.95Å; Q352-G354 VanDerWaalsContact O-N 3.08Å
355G29Very low33Very low36 Ų36113 Ų11337%0.37180%0.797SS.*  trans-135.597.2-174.900000115.3S353S353-G355 PolarHBondContact O-N 3.41Å; S353-G355 VanDerWaalsContact O-N 3.16Å
356Y31.2Very low32.7Very low236 Ų236111.6 Ų111.693%0.92580%0.798SS**  trans44.2110.9148.819.9-95.9000119.5
357G30.3Very low32.2Very low85 Ų85111.9 Ų111.988%0.87681%0.81SS**  trans-159.225.5-177.400000119.7
358G29.4Very low31.8Very low82 Ų82112.5 Ų112.585%0.84581%0.814SS**  trans100.8141.2155.300000120.4
359G29.1Very low32.5Very low88 Ų88110.9 Ų110.991%0.90781%0.811SS**  trans97.7116.3153.800000117.8
360G28.8Very low32Very low87 Ų87115.7 Ų115.790%0.89782%0.815SS**  trans123.599.5169.300000113.4
361G31.1Very low31.4Very low78 Ų78116 Ų11680%0.80482%0.817SS**  trans-102.8150.6-177.200000114.2
362V34.2Very low31.1Very low153 Ų153113 Ų11393%0.92782%0.816SS**  trans-142.4155.4159.8-81.50000108.9
363A32.8Very low31Very low110 Ų110112.2 Ų112.291%0.90982%0.815SS**  trans-80.7155.1-171.300000113.9
364G30.8Very low31.1Very low77 Ų77113.5 Ų113.579%0.79481%0.811SS**  trans-176.898.717500000112.6
365S29.8Very low31Very low129 Ų129116.3 Ų116.390%0.90281%0.812SS**  trans-69.9132.4-172.2-54.50000114.8
366G27.5Very low30.9Very low65 Ų65118.2 Ų118.267%0.6783%0.832SS**  74.1124.7108.500000121.2
367S29.6Very low30.9Very low135 Ų135116.8 Ų116.894%0.94483%0.834SS**  trans89.4144.8135.9-55.50000121.3
368S28.5Very low30.9Very low111 Ų111116.4 Ų116.478%0.77683%0.829SS**  trans-161.1155.1173.8173.40000105.7
369P49.2Very low30.9Very low97 Ų97121.3 Ų121.363%0.6383%0.831SS**  cis-124.3-157.7-13.428.1-5.9000112.3
370Y27.8Very low31Very low206 Ų206122.7 Ų122.781%0.80882%0.821SS**  trans106.4118.9158.8-67.2-71.4000120.8
371S27.2Very low31Very low106 Ų106123.2 Ų123.274%0.74181%0.811SS**  trans60111.7133.1-57.40000122.6
372A29Very low31Very low104 Ų104126.9 Ų126.986%0.8681%0.811SS**  trans-138.1153.9137.600000109.1
373M32.1Very low30.7Very low166 Ų166124.6 Ų124.682%0.81880%0.802SS**  trans-136.6178.2-175.8-69.3-165.2-179.600112.3
374L32.3Very low30.6Very low155 Ų155126 Ų12681%0.81280%0.799SS**  trans75.3138.7171-8266000115.2
375T31.8Very low30.7Very low136 Ų136127.1 Ų127.183%0.83480%0.795SS**  cis-148158.8-3.624.80000110.5
376G27.4Very low31.2Very low77 Ų77127 Ų12779%0.79479%0.791SS**  trans162.878.7168.900000116.9
377Q29.8Very low31.5Very low206 Ų206135.7 Ų135.796%0.96380%0.804SS**  trans-15.9135.4172.9-62.4173.2-23.900119.3
378G30.1Very low32.1Very low76 Ų76140.9 Ų140.978%0.78480%0.803SS**  trans-171.618.917800000123.5
379Q30Very low32.3Very low186 Ų186147.3 Ų147.387%0.86981%0.81SS**  trans64.2177.2175-79.8-68-24.600117.5
380V31.4Very low31.3Very low116 Ų116146.9 Ų146.970%0.70381%0.814SS**  trans-142.7153.6-145.4-146.60000116.2
381S28.9Very low31.7Very low98 Ų98145.4 Ų145.469%0.68582%0.815SS**  trans93130.6141.2-89.30000123.8
382L31.1Very low32.1Very low156 Ų156148 Ų14882%0.81782%0.82SS**  trans73.399138.3-64.7167.9000122.4
383S28Very low32.3Very low104 Ų104148.2 Ų148.273%0.72782%0.815SS**  63153.3108.5-155.70000123.2
384T30.5Very low33Very low139 Ų139146.2 Ų146.285%0.85381%0.814SS**  trans70.2152.3158.4-165.30000120.4
385S33.3Very low33.4Very low102 Ų102146.6 Ų146.671%0.71382%0.816SS**  trans-97.3143.7-166.1179.20000113.3
386P39.4Very low33.6Very low125 Ų125147.6 Ų147.681%0.81282%0.815SS**  trans-78.7145.4175.4-12.829.7000114.3
387R33.5Very low34.3Very low249 Ų249151.4 Ų151.494%0.9482%0.816SS**  trans-116.8149.2-179.5-160-179.3-168-150.45111.5
388R42.9Very low34.7Very low243 Ų243147.4 Ų147.492%0.91781%0.808SS**  trans-60151.2179.5-50.9-173.9-166.3-177.44.8113.7
389R33.4Very low34.9Very low246 Ų246152.5 Ų152.593%0.92881%0.814SS**  trans-160.9171.8148.1-138.7177.5-178173.61.5113.2
390A28.2Very low35.3Very low88 Ų88148.5 Ų148.573%0.72781%0.812SS**  trans88.5140178.800000116.3
391Q35Very low35.6Very low175 Ų175146.5 Ų146.582%0.81882%0.816SS**  cis-151.3174.4-21.1-101.5-53.8-3.400108.9
392L36.2Very low35.7Very low162 Ų162150.6 Ų150.685%0.84882%0.824SS**  trans-101.6168.5-175.4-72169.4000115.5
393S32.5Very low35.8Very low108 Ų108147.7 Ų147.776%0.75582%0.817SS**  trans-68.6172.4-172.6-38.90000116.1
394P48Very low36.1Very low124 Ų124153.2 Ų153.281%0.80582%0.822SS**  -140.3179.5101.240.4-28.6000115.5
395L39.2Very low36.3Very low163 Ų163157.3 Ų157.385%0.85382%0.821SS**  trans-113.5132.3-175.3-175.386.5000110.7
396I37.3Very low36.7Very low157 Ų157159 Ų15981%0.80582%0.821SS**  trans-140.8136.5171.2-60.7-177.2000110.8
397L41.5Very low36.8Very low156 Ų156161.3 Ų161.382%0.81782%0.82SS**PPolyproline II helixtrans-103.6143.6171.1-72.5161.6000110.7
398P38.5Very low37.1Very low123 Ų123155.6 Ų155.680%0.79982%0.816SS**PPolyproline II helixtrans-97.7143.5155.9-4.824.9000111.8
399M35Very low36.5Very low183 Ų183153.1 Ų153.190%0.90181%0.811SS**PPolyproline II helixtrans-79.9164.9172.8-170.556.672.700111.4
400A36.9Very low36.9Very low101 Ų101148.7 Ų148.784%0.83580%0.802SS**PPolyproline II helixtrans-63.8155.7-17900000114.6
401G37.4Very low37.3Very low75 Ų75153.4 Ų153.477%0.77381%0.806SS**  trans-150.4153172.200000111.1
402E31.4Very low37.4Very low184 Ų184150.2 Ų150.286%0.8680%0.803SS**  trans-79.3161.6-157.7-14179.3-158.100117.1
403S34.5Very low38.3Very low95 Ų95147.7 Ų147.766%0.66480%0.796SS**  trans81.4104.4146-80.30000123
404R33.8Very low38.7Very low220 Ų220148.7 Ų148.783%0.8380%0.798SS**  8690.6129.5-65.9-147.1-71.3-118.93.6122.2
405R35.1Very low37.9Very low225 Ų225150.4 Ų150.485%0.84980%0.797SS**  trans74.8153.3144.4-40.8-157.3-65.7176.4-1.3115.6
406I41.2Very low37.6Very low137 Ų137147.1 Ų147.170%0.70379%0.788SS**  cis-135158.913.4-38.2166.9000110.2
407H42Very low38.1Very low173 Ų173145.7 Ų145.780%0.80179%0.789SS**  trans70.4103.8170.8-64.9-75.8000119.3
408P38.3Very low37.8Very low129 Ų129145.1 Ų145.184%0.83879%0.792SS**  trans-90.1171.8160.437-32.8000112.9
409K31.9Very low37.7Very low191 Ų191147.2 Ų147.283%0.8380%0.795SS**  trans-101.4-173-179.7-73168.4176.2169.80111.9
410Q41.9Very low37.5Very low154 Ų154143.7 Ų143.772%0.7279%0.789SS**  trans-31.9137.2159-56.5154.8-85.100112.8
411F34.8Very low37.2Very low187 Ų187144 Ų14482%0.8279%0.785SS**  174144.4102.9-100.8-76.1000110.8
412S38.8Very low37.1Very low107 Ų107147.8 Ų147.875%0.74879%0.786SS**  trans-63157158.9-26.90000109.3
413P55.2Low37.3Very low109 Ų109143.8 Ų143.871%0.70878%0.778SS**  -158.4-171.471.641.9-20000117.4
414T40Very low37.5Very low130 Ų130148.4 Ų148.480%0.79879%0.789SS**  trans75.7154.1156.963.70000122.4
415M31.2Very low37.6Very low159 Ų159141.4 Ų141.478%0.78379%0.785SS**  trans93.990.8161.3-56.2-113.568.900119
416S32.6Very low37.8Very low94 Ų94137.6 Ų137.666%0.65779%0.787SS**  trans81.4134136.7-55.40000120.4
417P47.8Very low38.1Very low128 Ų128136.6 Ų136.683%0.83179%0.789SS**  trans-84.7143.3167.635-32.6000111.5
418T35.8Very low38.1Very low143 Ų143136.8 Ų136.888%0.87780%0.795SS**  trans-133.7153.1165.139.10000110.5
419L35.7Very low38.1Very low167 Ų167136.9 Ų136.987%0.87479%0.789SS**  trans-91.1173-163.3-63.6168.9000113.5
420S31.8Very low38.2Very low110 Ų110133.7 Ų133.777%0.76979%0.785SS**  trans94.3154.3154.3-37.30000117
421S30.2Very low37.7Very low106 Ų106130.7 Ų130.774%0.74178%0.781SS**  cis-178.5136-28.4-91.40000108.4
422I34.3Very low37.6Very low156 Ų156133 Ų13380%0.879%0.785SS**  trans178.1100.6158.3-99.2149000105.1
423S36.3Very low37.5Very low100 Ų100135.9 Ų135.970%0.69979%0.791SS**  69.6133.779.579.90000112.9
424Q39Very low37.4Very low191 Ų191136.6 Ų136.689%0.89380%0.795SS**  cis-137.8161.910.9-59.2167.5104.700110
425G35.5Very low37.2Very low73 Ų73135.2 Ų135.275%0.75380%0.797SS**  cis134.387-5.500000114.2
426V40.3Very low37.5Very low146 Ų146135.6 Ų135.689%0.88580%0.802SS**  trans-135.5134.2167.3175.70000109
427P46.9Very low37.6Very low115 Ų115139.2 Ų139.275%0.74781%0.809SS**  trans-105.2164.3-167.139.9-36.2000115.1
428L42.6Very low36.8Very low178 Ų178144.2 Ų144.293%0.93281%0.811SS**  trans-163.8165.9138.5-106166.1000110.2
429D37.1Very low36.8Very low130 Ų130145.1 Ų145.170%0.69581%0.81SS**  -140.7149.2-127.5-170.723.6000117
430T33.6Very low38.3Very low124 Ų124142 Ų14276%0.76180%0.8SS**  trans63.5160.2174.580.40000116.9
431S31.6Very low38.8Very low91 Ų91142.6 Ų142.664%0.63680%0.801SS**  cis-156.8145.110.791.20000115.4
432R32.5Very low38.9Very low236 Ų236147.9 Ų147.989%0.89181%0.806SS**  trans78.3146.7150.8-55.9-163.9-172.6-110.7-2.2123.1
433L37.2Very low39.7Very low167 Ų167146.2 Ų146.287%0.87481%0.806SS**  trans-148.2-165176.8-69.6176.2000106.8
434P52.7Low39.4Very low124 Ų124148.6 Ų148.681%0.80581%0.809SS**  -130.1-176.5-70.940.6-25.2000113.5
435A36.5Very low38.9Very low101 Ų101145.1 Ų145.184%0.83581%0.807SS**  trans-170.5158.1162.400000110.7
436D36.8Very low38.9Very low167 Ų167150 Ų15089%0.89381%0.81SS**  cis-161-179.2-33.8-159.1-8000108.8
437Q34.3Very low39.7Very low170 Ų170148.4 Ų148.479%0.79480%0.802SS**  trans-135.5131.8-157-176.3-158.1120.600116.8
438R32.4Very low39.1Very low234 Ų234146.3 Ų146.388%0.88380%0.801SS**  trans-171.8168154.7-118.7177.4177.390.2-1.1117.9
439L35.7Very low38.8Very low161 Ų161145.8 Ų145.884%0.84379%0.794SS**  trans-141.3-164.4176.8-64.7172.3000111
440P66.3Low38.6Very low103 Ų103147.8 Ų147.867%0.66980%0.799SS**  -119.4-177.9-91.541.3-24.3000114.5
441P43.4Very low38.4Very low122 Ų122149.2 Ų149.279%0.79280%0.803SS**  -158.8-169.597.141.1-18.8000117.8
442Y32.2Very low39.6Very low217 Ų217149.6 Ų149.685%0.85180%0.803SS**  trans-115.7-158.2-176.1-51.7-80000112.6
443P51.4Low39.6Very low121 Ų121143.4 Ų143.479%0.78680%0.796SS**  cis-147.3-171.5-4.143.4-21.4000119.6
444L30.1Very low39.5Very low149 Ų149143.7 Ų143.778%0.7880%0.797SS**  trans92.3127.8137.5-165.369.9000125.3
445S28.7Very low38.6Very low119 Ų119140.6 Ų140.683%0.83279%0.788SS**  trans-179.4168.6132.9-80.30000115.7
446Q34.3Very low38.5Very low176 Ų176145 Ų14582%0.82279%0.791SS**  trans-160.3-167.7-161.7-127.2-169104.600112.3
447P56.6Low38.3Very low111 Ų111142.8 Ų142.872%0.72178%0.779SS**  cis-144.4173.3-13.942-22.4000119.6
448G34.9Very low38.5Very low71 Ų71141.7 Ų141.773%0.73277%0.774SS**  trans95.1170.4143.200000122.1
449Q37.3Very low38.7Very low167 Ų167137.7 Ų137.778%0.7877%0.765SS**  cis-175.4158.9-19.8-104.1-100.5-4800113.9
450Q32.9Very low38.8Very low172 Ų172136.6 Ų136.680%0.80476%0.758SS**  trans86.7165.2154.6-74.2165.744.500124.8
451N29.2Very low37.5Very low155 Ų155138.7 Ų138.783%0.82976%0.762SS**  trans-166.6-163.8-160.9-148.57.9000108.9
452P56Low37.1Very low98 Ų98142.5 Ų142.564%0.63676%0.761SS**  cis-142.1-160.4-7.846-25000117.2
453S33.3Very low37.2Very low107 Ų107138.1 Ų138.175%0.74875%0.751SS**  trans79.2164.9160.581.30000118.6
454L34.8Very low36.3Very low172 Ų172140.4 Ų140.490%0.90175%0.752SS**  cis-166173.5-13-112.6166.8000107
455G32.9Very low36.9Very low59 Ų59140.4 Ų140.461%0.60875%0.748SS**  cis165.4160.7-6.800000114
456Q35.3Very low37.5Very low193 Ų193140.4 Ų140.490%0.90275%0.745SS**  trans68.7160.3168.4-72.7-156.716.400120.2
457N33.3Very low38Very low121 Ų121141.7 Ų141.765%0.64774%0.742SS**  cis-171.2170.9-24.9-173.3-125.3000112.4
458Q36.7Very low37.4Very low148 Ų148141.6 Ų141.669%0.69274%0.74SS**  trans80.2136.7167.4-53-151.398.100118.9
459Q38.4Very low37.8Very low149 Ų149144.7 Ų144.770%0.69674%0.74SS**  81.5148.752.4-61-179.225.100113.8
460M36.1Very low38.4Very low139 Ų139143.7 Ų143.769%0.68574%0.735SS**  cis-165.1155.415.9-152.2-164.8-76.600114.4
461L40.5Very low39.2Very low146 Ų146143.1 Ų143.176%0.76473%0.732SS**  trans62.8164.7151.1-109.966.9000119.7
462R34.5Very low40.4Very low203 Ų203142.8 Ų142.877%0.76673%0.726SS**  cis-164.7148.5-11.4-161.6-171.4170.1-162.5-1.5111.5
463L33.7Very low40.2Very low124 Ų124144.5 Ų144.565%0.64973%0.729SS**  147.7149.4127.9-80.6162.4000117.8
464Q34Very low41.3Very low169 Ų169146 Ų14679%0.7972%0.724SS**  trans58.8142.1164.8-108.859.359.100122.5
465Q42.4Very low42.4Very low149 Ų149144.1 Ų144.170%0.69671%0.714SS**  trans-111.7174.5173.4-61.1177.67.400110
466P41Very low43.5Very low119 Ų119147.2 Ų147.277%0.77371%0.713SS**  -133.3154.1102.636.3-28.2000115
467R44.6Very low44.4Very low204 Ų204143.1 Ų143.177%0.7770%0.697SS**  trans-86.4126.4170.8-77.3178.4166.2-171.2-3.8110.8
468T43.8Very low45.5Very low109 Ų109143.1 Ų143.167%0.66970%0.696SS**  trans-132-35.8170.450.50000114Q470T468-Q470 PolarHBondContact O-N 2.98Å
469N43.3Very low46.2Very low136 Ų136144.3 Ų144.373%0.72769%0.694SS**THydrogen-bonded Turntrans-66.4-5.1-171.8-90.3-57.2000117.5
470Q49.2Very low46.9Very low146 Ų146141.7 Ų141.768%0.68269%0.685SS**THydrogen-bonded Turntrans-78.7-26.4179.9-79.4-80-8.800113.7T468T468-Q470 PolarHBondContact O-N 2.98Å
471Q51.5Low47.7Very low160 Ų160141.2 Ų141.275%0.74868%0.681SS**Hα-helixtrans-87.7-27.8-168-159.5164.267.900113.7
472Q53.2Low48.1Very low148 Ų148141 Ų14169%0.69268%0.676SS**Hα-helixtrans-71.8-32.1-177.3-171.6165.9-2100113.2H474 Q476Q472-H474 PolarHBondContact O-N 3Å; Q472-Q476 PolarHBondContact O-N 3.3Å
473L52.8Low48.7Very low134 Ų134137.5 Ų137.570%0.70267%0.672SS**Hα-helixtrans-67.3-34178.7-117.1171.7000112.7N477L473-N477 PolarHBondContact O-N 2.94Å
474H56.2Low49.4Very low138 Ų138139.2 Ų139.264%0.63968%0.676SS**Hα-helixtrans-69.2-42.3-179-114.388.2000112.8Q472 Q476 N477 L478Q472-H474 PolarHBondContact O-N 3Å; H474-Q476 VanDerWaalsContact C-N 3.34Å; H474-Q476 PolarHBondContact O-N 3.38Å; H474-N477 PolarHBondContact O-N 2.94Å; H474-L478 PolarHBondContact O-N 3.06Å
475L56.9Low50.2Low133 Ų133138.5 Ų138.570%0.69667%0.673SS**Hα-helixtrans-65.9-36.7177-108.467.7000112.3N477 L478 R479L475-N477 VanDerWaalsContact C-N 3.33Å; L475-L478 PolarHBondContact O-N 3.4Å; L475-R479 PolarHBondContact O-N 3.12Å
476Q56.9Low50.2Low124 Ų124140.2 Ų140.258%0.57968%0.678SS**Hα-helixtrans-68.1-33.2177.5-163.1116.9103.300112.1Q472 H474 N480Q472-Q476 PolarHBondContact O-N 3.3Å; H474-Q476 VanDerWaalsContact C-N 3.34Å; H474-Q476 PolarHBondContact O-N 3.38Å; Q476-N480 PolarHBondContact O-ND2 3.04Å
477N53.8Low50Low106 Ų106137.6 Ų137.657%0.56767%0.673SS**Hα-helixtrans-66.8-47.3174.8-166.8-90.7000111.6L473 H474 L475 R479 N480L473-N477 PolarHBondContact O-N 2.94Å; H474-N477 PolarHBondContact O-N 2.94Å; L475-N477 VanDerWaalsContact C-N 3.33Å; N477-R479 VanDerWaalsContact C-N 3.28Å; N477-R479 PolarHBondContact O-N 3.44Å; N477-N480 PolarHBondContact O-N 3.31Å
478L56.6Low50Low121 Ų121134 Ų13463%0.63468%0.676SS**Hα-helixtrans-57.5-37.2178.4-116.968.7000113.2H474 L475 N480 Q481H474-L478 PolarHBondContact O-N 3.06Å; L475-L478 PolarHBondContact O-N 3.4Å; L478-N480 PolarHBondContact O-N 2.86Å; L478-Q481 PolarHBondContact O-N 3.24Å
479R51.7Low49.5Very low174 Ų174138.6 Ų138.666%0.65769%0.687SS**Hα-helixtrans-66.1-17.8178.7-148.2-156.980.3172.63.8114.1L475 N477L475-R479 PolarHBondContact O-N 3.12Å; N477-R479 VanDerWaalsContact C-N 3.28Å; N477-R479 PolarHBondContact O-N 3.44Å
480N52.8Low49.1Very low94 Ų94137.6 Ų137.650%0.50369%0.689SS.*Hα-helixtrans-88.1-22.5178.5-76.1-79.8000112.8Q476 N477 L478Q476-N480 PolarHBondContact O-ND2 3.04Å; N477-N480 PolarHBondContact O-N 3.31Å; L478-N480 PolarHBondContact O-N 2.86Å
481Q51.5Low48.8Very low129 Ų129136.3 Ų136.360%0.60369%0.694SS**Hα-helixtrans-71.6-28.7179.3-74.6-74.472.500113.7L478 L483L478-Q481 PolarHBondContact O-N 3.24Å; Q481-L483 PolarHBondContact O-N 2.75Å
482H50.6Low48.4Very low141 Ų141134.2 Ų134.265%0.65369%0.694SS**G310 helixtrans-79.9-12.4-176.2-162.869.1000114.3
483L47.3Very low48Very low130 Ų130133.4 Ų133.468%0.68170%0.702SS**G310 helixtrans-88.32.7-176.4-91.4159.9000114.7Q481Q481-L483 PolarHBondContact O-N 2.75Å
484Q46.6Very low47.4Very low160 Ų160132.3 Ų132.375%0.74871%0.712SS**G310 helixtrans-98.24.5179.4-66.6-172.491.800114.4
485Q50.7Low46.2Very low153 Ų153129.6 Ų129.672%0.71572%0.722SS**SBendtrans-107.85.3-171-146.9173.822.100116.1
486F43.7Very low45Very low185 Ų185126.5 Ų126.581%0.81172%0.722SS**  trans-130.8103.3174.9-77.2-82000111.8
487G35.7Very low43.8Very low64 Ų64125.8 Ų125.866%0.6673%0.731SS**PPolyproline II helixtrans-85.3147.9169.800000112.1
488P45.5Very low42.8Very low128 Ų128127.8 Ų127.883%0.83175%0.747SS**PPolyproline II helixtrans-76.8131.9-179.630.5-34.1000112.5
489F33.1Very low41.5Very low206 Ų206127.2 Ų127.290%0.90475%0.753SS**PPolyproline II helixtrans-73140168.2-95.1-101.6000111.3
490C34.8Very low41.6Very low115 Ų115124.6 Ų124.678%0.77776%0.758SS**PPolyproline II helixtrans-99.7139.9165.9-69.10000110.6
491P42.2Very low40.5Very low120 Ų120125 Ų12578%0.77977%0.774SS**PPolyproline II helixtrans-86.9143.7173.433.8-33.1000112.5
492P44.8Very low39.6Very low116 Ų116123.5 Ų123.575%0.75379%0.785SS**PPolyproline II helixtrans-83.6166.9169.534.7-34.4000112.7
493P43.9Very low38.5Very low130 Ų130122.1 Ų122.184%0.84479%0.791SS**  trans-79.2174.9-175.632.9-37.1000114.8
494A40.2Very low37.8Very low112 Ų112123.4 Ų123.493%0.92680%0.798SS**  trans-75.7148.1-166.600000116.2
495G31Very low37Very low81 Ų81121.4 Ų121.484%0.83580%0.796SS**  trans-161.5148.8168.100000109.1
496G32.4Very low36.1Very low68 Ų68119.3 Ų119.370%0.70180%0.798SS**  trans-110.2179.6-165.100000117
497S31.7Very low35.5Very low109 Ų109117 Ų11776%0.76279%0.794SS**  trans64.4112.5160.853.40000121
498T33Very low35.4Very low147 Ų147121.4 Ų121.490%0.90280%0.802SS**  trans74160.4137.154.40000121.1
499S28.5Very low35.6Very low110 Ų110120.5 Ų120.577%0.76980%0.795SS**  trans-138.9-168.1-162.258.40000110.1
500P53Low35.5Very low118 Ų118117.6 Ų117.677%0.76679%0.789SS**  cis-129.3162.2-47.832.3-16.2000113.8
501A30.2Very low35.5Very low102 Ų102117.5 Ų117.584%0.84378%0.78SS**  trans-172.7159.4159.800000110.1
502A32.2Very low34.7Very low99 Ų99120 Ų12082%0.81878%0.781SS**  cis-163.4158.3-28.400000108.2
503S28.7Very low34Very low111 Ų111122.6 Ų122.678%0.77678%0.781SS**  trans-89.8156178.6-54.80000113
504L31Very low33.9Very low158 Ų158122.1 Ų122.183%0.82778%0.778SS**  164.6116116.8-83.9173.6000114.1
505T31.6Very low33.5Very low118 Ų118121.3 Ų121.372%0.72477%0.771SS**  40.9148.3125-31.30000123.9
506S30.4Very low33.2Very low108 Ų108126.2 Ų126.276%0.75577%0.772SS**  trans105.7148.4149.9-152.30000117.2
507L32.3Very low33Very low137 Ų137127.6 Ų127.672%0.71777%0.771SS**  -174.3128.5-52.9-105.5168.5000109.5
508L32.4Very low33.4Very low157 Ų157127.1 Ų127.182%0.82277%0.766SS**  trans61.5172.2157.4-69.3171.3000118
509P50.6Low33.3Very low108 Ų108126.3 Ų126.370%0.70176%0.76SS**  cis-118-147.10.832.1-8.3000112.1
510L31Very low33.3Very low146 Ų146128.6 Ų128.676%0.76476%0.764SS**  cis-160.3153.87.3-161.867.2000112.4
511L33.8Very low32Very low112 Ų112126.2 Ų126.259%0.58676%0.76SS**  trans19132.8155.7-78.8-91.7000123.4F513L511-F513 HydrophobicContact CD1-CD2 3.88Å; L511-F513 HydrophobicContact CD1-CE2 4.01Å
512Q25.7Very low32Very low174 Ų174129.6 Ų129.681%0.81376%0.763SS**  -161.7152.5101.2-164.961.413.400111.4
513F31.3Very low31.8Very low169 Ų169131.7 Ų131.774%0.74176%0.761SS**  trans-101.2177.1179.7-83.8-80.1000111.7L511L511-F513 HydrophobicContact CD1-CD2 3.88Å; L511-F513 HydrophobicContact CD1-CE2 4.01Å
514P42Very low32.1Very low121 Ų121134.2 Ų134.279%0.78676%0.76SS**  cis-138.3-166.817.944.2-24.6000116.8
515A29.9Very low31.9Very low95 Ų95132.3 Ų132.379%0.78576%0.76SS**  trans-126.6171.7167.600000109.9
516E24.9Very low31.7Very low184 Ų184130.2 Ų130.286%0.8676%0.762SS**  trans-175.6179.7158.6-101.6-74.437.800110.5
517S29.1Very low32.4Very low96 Ų96131.5 Ų131.567%0.67177%0.768SS**  trans-139.4-155.4-17670.70000111.7
518P40.8Very low32.2Very low100 Ų100128.2 Ų128.265%0.64977%0.767SS**  cis-127.1-159.9-46.235.8-16.3000112.5
519V30.1Very low32.2Very low130 Ų130128.9 Ų128.979%0.78877%0.766SS**  trans66.5162.1155.3-60.80000123.1
520D27.9Very low31.2Very low158 Ų158129.3 Ų129.385%0.84576%0.762SS**  trans-36.7152.9-175.5-64.7-96.3000122
521G26.9Very low31.1Very low67 Ų67130.2 Ų130.269%0.69176%0.763SS**  trans115.1108.413100000117.6
522L29.6Very low30.9Very low173 Ų173134 Ų13491%0.90678%0.775SS**  -174.2153.3100.1-95.2169.1000111.7
523N27.5Very low31.8Very low143 Ų143131.9 Ų131.977%0.76578%0.776SS**  trans-121.8-169.6178.9-160.8-23.2000108.6
524H34.6Very low31.6Very low164 Ų164128.7 Ų128.776%0.75977%0.774SS**  trans89.9141-178.7-49.9-62.8000115.7
525S28.2Very low30.9Very low119 Ų119130.4 Ų130.483%0.83278%0.777SS**  cis-165.2154.4-16.847.80000111.3
526G27.1Very low30.9Very low74 Ų74129.4 Ų129.476%0.76377%0.765SS**  trans166.4113.1176.900000112
527P45.7Very low31.1Very low135 Ų135130 Ų13088%0.87777%0.767SS**  trans-121.8163.1-159.241.3-32.2000116.8
528G28Very low31Very low68 Ų68128.7 Ų128.770%0.70177%0.769SS**  136.4119.512600000120.6
529Q30.7Very low30.3Very low170 Ų170128.4 Ų128.479%0.79478%0.775SS**  trans83.5127.9135.1-60.5-154.524.900123.2
530N29.9Very low30.4Very low118 Ų118129.8 Ų129.863%0.63178%0.777SS**  trans70150140.5-60-18.1000120.1
531Q28.9Very low30.3Very low165 Ų165129.6 Ų129.677%0.77177%0.771SS**  cis-163.3157.1-27.6-118.5172.472.600107.7
532F29.6Very low30.5Very low191 Ų191133.2 Ų133.284%0.83877%0.774SS**  trans-76.6160.5166.8-73.2-83000111
533P44.4Very low30.4Very low129 Ų129133.4 Ų133.484%0.83877%0.77SS**  -141.4170.597.237.6-23.7000115.4
534S28.3Very low30.4Very low102 Ų102134.3 Ų134.371%0.71377%0.77SS**  trans-105.8158.8-174.6-41.30000113.3
535N26.5Very low30.9Very low157 Ų157132.4 Ų132.484%0.8477%0.772SS**  trans-179.4165.5141.1-100.7-25.6000112.1
536S29.3Very low30.8Very low75 Ų75130.3 Ų130.352%0.52477%0.769SS.*  -174.1169.6-58.355.30000110
537Q29.9Very low31Very low195 Ų195134.4 Ų134.491%0.91177%0.774SS**  trans68.2154.7169.8-51.6168.312.500115.4
538G27.7Very low30.9Very low69 Ų69132.9 Ų132.971%0.71176%0.764SS**  cis-174135.8-11.400000107.1
539A26.4Very low30.9Very low94 Ų94137.4 Ų137.478%0.77777%0.767SS**  91.9131.164.400000113.8
540L32.1Very low30.8Very low160 Ų160138.3 Ų138.384%0.83876%0.763SS**  trans70.1157.2170.5-53.8-174.6000116.6
541E26Very low30.9Very low153 Ų153140.3 Ų140.372%0.71577%0.773SS**  cis-163.3176.5-23.3179.4167.1129.800109.5
542L30.7Very low30.9Very low143 Ų143139.5 Ų139.575%0.74977%0.774SS**  trans-17145.5172.2-65.1161000120.1
543Q26.9Very low31Very low178 Ų178138 Ų13883%0.83277%0.769SS**  -175.3153.2114-161.952.143.200114
544Q28.7Very low30.3Very low162 Ų162140.5 Ų140.576%0.75777%0.77SS**  trans-138.2170.3169.8-126.3-17654.100108.2
545P43.2Very low30.3Very low123 Ų123142.7 Ų142.780%0.79977%0.773SS**  cis-126.3-162.6-14.942.3-25.9000111.5
546G27.2Very low30.6Very low75 Ų75143.6 Ų143.677%0.77377%0.772SS**  trans157.493.3159.300000119.1
547D32Very low30.6Very low160 Ų160147.3 Ų147.386%0.85679%0.786SS**  trans-83.4159.8151.1-95.1-58.9000109
548P43.4Very low30.6Very low104 Ų104147.6 Ų147.668%0.67578%0.779SS**  cis-157.6-164.947.243.5-20.6000118.5
549Q27.7Very low30.7Very low163 Ų163149.5 Ų149.576%0.76277%0.773SS**  trans99.6100.7141.3-91.9-175.4-146.300122.6
550R28.6Very low30.8Very low189 Ų189155 Ų15571%0.71378%0.775SS**  trans61.3120.7141.4-26.2-164.681.2-152.53.3118.1
551L31.5Very low30.5Very low160 Ų160153.8 Ų153.884%0.83878%0.78SS**  -164.2123.173.7-94.6162.3000111.9
552N29.4Very low30.7Very low147 Ų147150.6 Ų150.679%0.78679%0.788SS**  trans-156109.7158.3-172.8-1.6000111.1
553H32Very low30.8Very low160 Ų160147 Ų14774%0.74179%0.785SS**  trans-158.5107.3166.2-70.8119.9000109.3
554Q29.2Very low31.1Very low182 Ų182146.9 Ų146.985%0.8579%0.791SS**  trans170100.7141.6-97.817614.700113.2
555N27.9Very low31.4Very low147 Ų147142.6 Ų142.679%0.78679%0.79SS**  trans158126.1139.3-94.3-84.1000107.5
556Q32.8Very low31Very low177 Ų177148.4 Ų148.483%0.82780%0.796SS**  cis74.457.940.4-57.1-157.1-1.200116.3
557N30.4Very low31.3Very low152 Ų152153.3 Ų153.381%0.81380%0.798SS**  64.9146.2116.3-152.911.5000121.9
558R29.7Very low31.4Very low202 Ų202151.7 Ų151.776%0.76279%0.79SS**  trans76.9108162.5-81-170165.4-176.5-4.2122.4
559N28.1Very low30.8Very low109 Ų109152.9 Ų152.958%0.58380%0.795SS**  92.9148.8119.5-70.63000122.8
560Y29.1Very low31.5Very low208 Ų208150.1 Ų150.182%0.81679%0.791SS**  trans72.486.8162.3-56.1-58.2000120.1
561S26.8Very low31.8Very low136 Ų136147 Ų14795%0.95179%0.789SS**  -165.3140.5126.8-82.60000110.5
562G29.1Very low32.6Very low86 Ų86146.7 Ų146.789%0.88779%0.786SS**  trans167.344.1-176.100000114.3
563G32.2Very low33.3Very low66 Ų66145.2 Ų145.268%0.6878%0.777SS**  trans-95.7161.1177.200000113.4
564D35Very low33.9Very low177 Ų177145.9 Ų145.995%0.94779%0.785SS**  trans61.1101.2167.5-61.7-41.3000119.2
565G33.9Very low34.3Very low72 Ų72142.1 Ų142.174%0.74278%0.775SS**  trans173.491.3163.600000116.8
566R34.2Very low35.2Very low245 Ų245138.9 Ų138.993%0.92578%0.776SS**  trans78.495.1155.5-54177-176.5-77.7-5.3119.2
567Q34.6Very low35.9Very low177 Ų177137.8 Ų137.883%0.82778%0.776SS**  -23.1146125.8-56.8-73.7-3.900113.5
568N32.9Very low36.5Very low127 Ų127135.2 Ų135.268%0.67977%0.77SS**  cis-163.5134.3-4.8178.450.5000109.2
569V32.2Very low37.4Very low128 Ų128129.6 Ų129.678%0.77676%0.76SS**  trans-143.9113.9169.11800000109.5N571V569-N571 PolarHBondContact O-N 3.27Å; V569-N571 VanDerWaalsContact O-N 3.12Å
570P41.7Very low38.8Very low105 Ų105130.3 Ų130.368%0.68277%0.77SS**  trans-81.989.5178.932.3-33.2000110.9
571N35.5Very low40Very low125 Ų125122.5 Ų122.567%0.66875%0.753SS**  trans-88.9102.8170.1-166.515.4000109.4V569 I573V569-N571 PolarHBondContact O-N 3.27Å; V569-N571 VanDerWaalsContact O-N 3.12Å; N571-I573 VanDerWaalsContact C-N 3.25Å; N571-I573 PolarHBondContact O-N 3.21Å
572I47.9Very low41.5Very low152 Ų152120.1 Ų120.178%0.77973%0.729SS**  trans-80.470.1-171.1-43.7177000110.8
573I43.9Very low43.1Very low116 Ų116119.7 Ų119.760%0.59571%0.713SS**  trans-93115.8167.4-58.4179000107.5N571 T575N571-I573 VanDerWaalsContact C-N 3.25Å; N571-I573 PolarHBondContact O-N 3.21Å; I573-T575 PolarHBondContact O-N 3.29Å
574L44Very low44.4Very low174 Ų174124.4 Ų124.491%0.91172%0.715SS**  trans-71.973.7176.8-76164.3000111.1
575T39.1Very low45.9Very low104 Ų104122.5 Ų122.564%0.63870%0.7SS**  trans-90.2131.6166.4-41.40000108.3I573 D577I573-T575 PolarHBondContact O-N 3.29Å; T575-D577 PolarHBondContact O-N 2.97Å
576G46.5Very low47.6Very low79 Ų79124 Ų12481%0.81469%0.69SS**SBendtrans-69.817.1-163.100000118.7
577D47.7Very low49.1Very low154 Ų154116.9 Ų116.982%0.82467%0.674SS**  trans-105.186.5-179.4-80.3-70.1000111.1T575T575-D577 PolarHBondContact O-N 2.97Å
578S41.4Very low50.6Low98 Ų98111.6 Ų111.669%0.68566%0.656SS**  trans-80.2134.3173.3-69.40000111.4
579P50.6Low52.1Low84 Ų84108.7 Ų108.755%0.54565%0.65SS.*  trans-65.1143.6172.927.9-34.2000110.7G581 L582P579-G581 PolarHBondContact O-N 2.99Å; P579-L582 HydrophobicContact CG-CD1 4.28Å; P579-L582 PolarHBondContact O-N 2.98Å
580P56.7Low53.7Low123 Ų123106.1 Ų106.180%0.79963%0.632SS**THydrogen-bonded Turntrans-71.515.8-16528.9-37.5000116.3
581G54.8Low54.5Low45 Ų45105.1 Ų105.146%0.46463%0.627SS.*THydrogen-bonded Turntrans-91.9-43.9172.900000113.7P579 S583 K584 E585P579-G581 PolarHBondContact O-N 2.99Å; G581-S583 PolarHBondContact O-N 3.12Å; G581-K584 WeakPolarHBondContact O-CB 3.39Å; G581-K584 PolarHBondContact O-N 3.38Å; G581-K584 VanDerWaalsContact O-N 3.12Å; G581-E585 PolarHBondContact O-N 3.42Å
582L57.8Low55.6Low86 Ų86106.2 Ų106.245%0.4563%0.627SS.*Hα-helixtrans-64-41.1-166.9-72.6170.8000113.4P579 K584 E585 I586P579-L582 HydrophobicContact CG-CD1 4.28Å; P579-L582 PolarHBondContact O-N 2.98Å; L582-K584 VanDerWaalsContact C-N 3.3Å; L582-K584 PolarHBondContact O-N 3.01Å; L582-E585 PolarHBondContact O-N 2.8Å; L582-I586 WeakPolarHBondContact O-CD1 3.4Å; L582-I586 VanDerWaalsContact O-CG1 3.27Å; L582-I586 WeakPolarHBondContact O-CG1 3.45Å; L582-I586 PolarHBondContact O-N 2.68Å
583S62.7Low56Low77 Ų77102.3 Ų102.354%0.53861%0.611SS.*Hα-helixtrans-59.6-41.8176.1490000111.8G581 I586 T587G581-S583 PolarHBondContact O-N 3.12Å; S583-I586 PolarHBondContact O-N 2.67Å; S583-T587 PolarHBondContact O-N 2.88Å; S583-T587 PolarHBondContact O-OG1 3.06Å
584K59.8Low55.9Low165 Ų165102.9 Ų102.972%0.71762%0.622SS**Hα-helixtrans-70-35180-161171.4-173.6175.20112.5G581 L582 S588G581-K584 WeakPolarHBondContact O-CB 3.39Å; G581-K584 PolarHBondContact O-N 3.38Å; G581-K584 VanDerWaalsContact O-N 3.12Å; L582-K584 VanDerWaalsContact C-N 3.3Å; L582-K584 PolarHBondContact O-N 3.01Å; K584-S588 WeakPolarHBondContact O-CB 3.32Å; K584-S588 PolarHBondContact O-N 3.18Å
585E66.9Low56.2Low137 Ų13797.8 Ų97.864%0.6461%0.612SS**Hα-helixtrans-68.8-43.2174.7-167164.7-135.600111.5G581 L582 S588 A589G581-E585 PolarHBondContact O-N 3.42Å; L582-E585 PolarHBondContact O-N 2.8Å; E585-S588 PolarHBondContact O-N 3.19Å; E585-A589 PolarHBondContact O-N 3.49Å
586I68.3Low56.6Low103 Ų10398.8 Ų98.853%0.52861%0.607SS.*Hα-helixtrans-63.3-47174.2-66.6163000111.1L582 S583 S588 A589 L590L582-I586 WeakPolarHBondContact O-CD1 3.4Å; L582-I586 VanDerWaalsContact O-CG1 3.27Å; L582-I586 WeakPolarHBondContact O-CG1 3.45Å; L582-I586 PolarHBondContact O-N 2.68Å; S583-I586 PolarHBondContact O-N 2.67Å; I586-S588 VanDerWaalsContact C-N 3.3Å; I586-S588 PolarHBondContact O-N 3.33Å; I586-A589 PolarHBondContact O-N 3.48Å; I586-A589 VanDerWaalsContact O-N 3.13Å; I586-L590 HydrophobicContact CG2-CD1 3.96Å; I586-L590 HydrophobicContact CG2-CG 4.48Å; I586-L590 WeakPolarHBondContact O-CG 3.45Å; I586-L590 PolarHBondContact O-N 2.87Å
587T66.9Low57Low95 Ų95102.6 Ų102.658%0.58360%0.604SS**Hα-helixtrans-59.4-41.1175.3-57.50000111.6S583 A589 L590 S591S583-T587 PolarHBondContact O-N 2.88Å; S583-T587 PolarHBondContact O-OG1 3.06Å; T587-A589 VanDerWaalsContact C-N 3.31Å; T587-A589 PolarHBondContact O-N 3.21Å; T587-L590 PolarHBondContact O-N 2.86Å; T587-S591 WeakPolarHBondContact O-CB 3.48Å; T587-S591 PolarHBondContact O-N 2.84Å
588S65.3Low57.4Low66 Ų66103.5 Ų103.546%0.46261%0.605SS.*Hα-helixtrans-70.9-22.6177.2-170.10000113.9K584 E585 I586 S591 H592K584-S588 WeakPolarHBondContact O-CB 3.32Å; K584-S588 PolarHBondContact O-N 3.18Å; E585-S588 PolarHBondContact O-N 3.19Å; I586-S588 VanDerWaalsContact C-N 3.3Å; I586-S588 PolarHBondContact O-N 3.33Å; S588-S591 PolarHBondContact O-OG 3.42Å; S588-H592 PolarHBondContact O-CE1 3.39Å; S588-H592 PolarHBondContact O-ND1 3.16Å
589A65.2Low57.4Low66 Ų66104.2 Ų104.255%0.54560%0.601SS.*Hα-helixtrans-77.8-42.5172.300000111.3E585 I586 T587E585-A589 PolarHBondContact O-N 3.49Å; I586-A589 PolarHBondContact O-N 3.48Å; I586-A589 VanDerWaalsContact O-N 3.13Å; T587-A589 VanDerWaalsContact C-N 3.31Å; T587-A589 PolarHBondContact O-N 3.21Å
590L65.3Low57.3Low75 Ų75104.2 Ų104.239%0.39361%0.609SS.*Hα-helixtrans-72.5-30.8179.8-66174.2000113I586 T587 H592 V593I586-L590 HydrophobicContact CG2-CD1 3.96Å; I586-L590 HydrophobicContact CG2-CG 4.48Å; I586-L590 WeakPolarHBondContact O-CG 3.45Å; I586-L590 PolarHBondContact O-N 2.87Å; T587-L590 PolarHBondContact O-N 2.86Å; L590-H592 PolarHBondContact O-N 2.88Å; L590-V593 WeakPolarHBondContact O-CB 3.27Å; L590-V593 PolarHBondContact O-N 3.16Å
591S59.5Low56.4Low83 Ų83106.6 Ų106.658%0.5861%0.607SS**THydrogen-bonded Turntrans-65.3-3177.572.80000115.1T587 S588T587-S591 WeakPolarHBondContact O-CB 3.48Å; T587-S591 PolarHBondContact O-N 2.84Å; S588-S591 PolarHBondContact O-OG 3.42Å
592H57.4Low55.9Low148 Ų148109.7 Ų109.769%0.68562%0.621SS**THydrogen-bonded Turntrans-105.95.6175.2-67.689.5000112.9S588 L590 P594S588-H592 PolarHBondContact O-CE1 3.39Å; S588-H592 PolarHBondContact O-ND1 3.16Å; L590-H592 PolarHBondContact O-N 2.88Å; H592-P594 WeakPolarHBondContact O-CD 3.49Å
593V56.3Low55.2Low70 Ų70113.5 Ų113.542%0.42464%0.641SS.*SBendtrans-96.3112.1177.7-179.20000109.6L590 G595 F596L590-V593 WeakPolarHBondContact O-CB 3.27Å; L590-V593 PolarHBondContact O-N 3.16Å; V593-G595 PolarHBondContact O-N 3.16Å; V593-F596 HydrophobicContact CB-CB 4.04Å; V593-F596 HydrophobicContact CG1-CB 4.18Å; V593-F596 HydrophobicContact CG1-CD2 4.27Å; V593-F596 PolarHBondContact O-N 3.16Å; V593-F596 VanDerWaalsContact O-N 3.16Å
594P41.3Very low54.3Low129 Ų129117.1 Ų117.184%0.83865%0.654SS**THydrogen-bonded Turntrans-61.8128.6177.7-21.833.9000111.2H592H592-P594 WeakPolarHBondContact O-CD 3.49Å
595G50Low53.4Low67 Ų67116.6 Ų116.669%0.69166%0.655SS**THydrogen-bonded Turntrans88.16.3-176.800000115.1V593 E597V593-G595 PolarHBondContact O-N 3.16Å; G595-E597 VanDerWaalsContact C-N 3.3Å; G595-E597 PolarHBondContact O-N 3.08Å
596F49.1Very low52.2Low125 Ų125115 Ų11555%0.54866%0.656SS.*  trans-94.458.3169.1-130.2-85.8000111.1V593 M598V593-F596 HydrophobicContact CB-CB 4.04Å; V593-F596 HydrophobicContact CG1-CB 4.18Å; V593-F596 HydrophobicContact CG1-CD2 4.27Å; V593-F596 PolarHBondContact O-N 3.16Å; V593-F596 VanDerWaalsContact O-N 3.16Å; F596-M598 PolarHBondContact O-N 3.3Å
597E54.4Low51Low159 Ų159117.5 Ų117.574%0.74367%0.67SS**  trans-64.998176.7-53.9-65.8109.300109.4G595 D599G595-E597 VanDerWaalsContact C-N 3.3Å; G595-E597 PolarHBondContact O-N 3.08Å; E597-D599 PolarHBondContact O-N 3.48Å
598M55Low50.2Low172 Ų172124 Ų12485%0.84768%0.684SS**  trans-78.675.3172.1-174.869.9-173.200109.2F596 A600F596-M598 PolarHBondContact O-N 3.3Å; M598-A600 PolarHBondContact O-N 2.94Å
599D42.3Very low49.5Very low113 Ų113128.4 Ų128.460%0.60470%0.7SS**  trans-58.2107.8174.4-99.2-35.1000110E597 F601E597-D599 PolarHBondContact O-N 3.48Å; D599-F601 HydrophobicContact CB-CD2 3.83Å; D599-F601 HydrophobicContact CB-CE2 3.47Å; D599-F601 VanDerWaalsContact CB-CE2 3.47Å; D599-F601 HydrophobicContact CB-CZ 4.08Å; D599-F601 WeakPolarHBondContact O-CD2 3.41Å; D599-F601 PolarHBondContact O-N 2.91Å
600A49.2Very low48.7Very low85 Ų85131 Ų13170%0.70271%0.705SS**  trans-78.167177.600000110.3M598 S602M598-A600 PolarHBondContact O-N 2.94Å; A600-S602 PolarHBondContact O-N 3.12Å; A600-S602 PolarHBondContact O-OG 3.09Å
601F37.5Very low48Very low172 Ų172132.7 Ų132.775%0.75472%0.72SS**  trans-51.8102.7173-74.2-76.6000109.9D599 L603D599-F601 HydrophobicContact CB-CD2 3.83Å; D599-F601 HydrophobicContact CB-CE2 3.47Å; D599-F601 VanDerWaalsContact CB-CE2 3.47Å; D599-F601 HydrophobicContact CB-CZ 4.08Å; D599-F601 WeakPolarHBondContact O-CD2 3.41Å; D599-F601 PolarHBondContact O-N 2.91Å; F601-L603 PolarHBondContact O-N 3Å; F601-L603 VanDerWaalsContact O-N 3.12Å
602S43.4Very low47.5Very low111 Ų111135.9 Ų135.978%0.77673%0.73SS**  trans-75.7101.9-178.4-62.60000108.2A600 D604A600-S602 PolarHBondContact O-N 3.12Å; A600-S602 PolarHBondContact O-OG 3.09Å; S602-D604 PolarHBondContact O-N 3.12Å
603L42.5Very low47.1Very low166 Ų166132.9 Ų132.987%0.86973%0.731SS**  trans-82.650.2-169.7-156.498.8000113.1F601F601-L603 PolarHBondContact O-N 3Å; F601-L603 VanDerWaalsContact O-N 3.12Å
604D44.1Very low46.9Very low152 Ų152136.4 Ų136.481%0.81375%0.747SS**  trans-11463.4177.8-85-68.6000110.7S602S602-D604 PolarHBondContact O-N 3.12Å
605E40.8Very low47.2Very low155 Ų155137.8 Ų137.872%0.72475%0.747SS**  trans-162.5120.8152.9-166.859.5-139.900111.1L607E605-L607 PolarHBondContact O-N 3.22Å; E605-L607 VanDerWaalsContact O-N 3.09Å
606P42.1Very low47.3Very low104 Ų104142.4 Ų142.468%0.67576%0.755SS**  trans-84.780.6-178.233.6-35.1000112.4R608P606-R608 PolarHBondContact O-N 3.09Å
607L43.1Very low47.6Very low155 Ų155143.6 Ų143.681%0.81277%0.766SS**  trans-56.6120.7175-84.9170.6000112.1E605E605-L607 PolarHBondContact O-N 3.22Å; E605-L607 VanDerWaalsContact O-N 3.09Å
608R50.8Low47.3Very low232 Ų232145.1 Ų145.188%0.87577%0.774SS**  trans-90.2125.5177.3-45.6179.783.590.1-1108.8P606P606-R608 PolarHBondContact O-N 3.09Å
609I50Low47Very low157 Ų157140.8 Ų140.881%0.80577%0.773SS**  trans-121.3137175.2-68.6176.7000108.9
610D48.2Very low47.3Very low120 Ų120144.1 Ų144.164%0.64279%0.785SS**  trans-89.3134.7-169-157.641.9000110.9L612D610-L612 PolarHBondContact O-N 3.45Å
611P51.9Low47.6Very low111 Ų111148.1 Ų148.172%0.72179%0.794SS**THydrogen-bonded Turntrans-83.626.4-159.534.5-37.6000115.2
612L48.2Very low48.4Very low150 Ų150148.7 Ų148.779%0.78580%0.801SS**THydrogen-bonded Turntrans-99.97.7-174.3-64.9177.6000114.8D610D610-L612 PolarHBondContact O-N 3.45Å
613A49.5Very low48.6Very low85 Ų85151.9 Ų151.970%0.70281%0.809SS**SBendtrans-106.2-1-170.800000116
614L51.2Low48.5Very low144 Ų144148.4 Ų148.475%0.75480%0.804SS**SBendtrans-106.4-12.6-168.4-69.2173.7000115.7L616L614-L616 PolarHBondContact O-N 3.08Å; L614-L616 VanDerWaalsContact O-N 3.08Å
615D48.1Very low48.5Very low159 Ų159146.6 Ų146.685%0.8579%0.794SS**THydrogen-bonded Turntrans-70.9-5.5-169.5-152.746.2000114.7
616L52.9Low49.1Very low163 Ų163144.7 Ų144.785%0.85380%0.796SS**THydrogen-bonded Turntrans-102.22.6-168-137.776.3000115.3L614L614-L616 PolarHBondContact O-N 3.08Å; L614-L616 VanDerWaalsContact O-N 3.08Å
617L53.6Low49.6Very low150 Ų150143.2 Ų143.279%0.78579%0.792SS**SBendtrans-117.9-2.3-168.8-63.5180000115.8
618E48Very low50Low191 Ų191140.7 Ų140.789%0.89378%0.783SS**SBendtrans-85.3-6.9-176.7-163.5162.2-160.100113.9
619G49.8Very low50Low82 Ų82137.6 Ų137.685%0.84578%0.778SS**SBendtrans-85.7-13.3-166.500000118.7
620E48.9Very low50.1Low182 Ų182135.8 Ų135.885%0.8577%0.77SS**SBendtrans-124.946.9-163-154.6-171.5-147.500115.3
621L54.2Low50.2Low170 Ų170134.3 Ų134.389%0.8977%0.769SS**  trans-130.515.4176.7-72.5177.2000115.9
622M54.2Low50.3Low183 Ų183137.3 Ų137.390%0.90177%0.771SS**  trans-115.398.4172.9-73.5-156.673.200112.9
623L47.6Very low50.6Low178 Ų178140 Ų14093%0.93277%0.771SS**  trans-168.793.8150-107.9168000110.3
624A42.2Very low50.8Low94 Ų94140.1 Ų140.178%0.77777%0.767SS**  trans-104.2128.5165.400000108.7P626A624-P626 WeakPolarHBondContact O-CD 3.25Å
625D43.7Very low50.9Low113 Ų113140.6 Ų140.660%0.60477%0.77SS**  trans-73.2121.2-172.5-174.3-10.7000112A627D625-A627 PolarHBondContact O-N 3.38Å; D625-A627 VanDerWaalsContact O-N 3.12Å; D625-A627 VanDerWaalsContact OD1-CB 3.25Å; D625-A627 WeakPolarHBondContact OD1-CB 3.41Å; D625-A627 PolarHBondContact OD1-N 2.97Å
626P53.8Low51Low116 Ų116144 Ų14475%0.75377%0.771SS**G310 helixtrans-60.5-15.8176-24.135.2000115.4A624 V628A624-P626 WeakPolarHBondContact O-CD 3.25Å; P626-V628 PolarHBondContact O-N 3.03Å; P626-V628 VanDerWaalsContact O-N 3.16Å
627A51.5Low51Low73 Ų73144 Ų14460%0.60377%0.771SS**G310 helixtrans-67.9-11.5-173.200000115.4D625D625-A627 PolarHBondContact O-N 3.38Å; D625-A627 VanDerWaalsContact O-N 3.12Å; D625-A627 VanDerWaalsContact OD1-CB 3.25Å; D625-A627 WeakPolarHBondContact OD1-CB 3.41Å; D625-A627 PolarHBondContact OD1-N 2.97Å
628V51.9Low50.6Low101 Ų101150.2 Ų150.261%0.61279%0.792SS**G310 helixtrans-82.2-26.6-170.7-1750000113.6P626P626-V628 PolarHBondContact O-N 3.03Å; P626-V628 VanDerWaalsContact O-N 3.16Å
629E50.8Low50.7Low168 Ų168148.2 Ų148.279%0.78579%0.787SS**G310 helixtrans-77.6-25.6-169.6-76.7-173.54600115.5S631E629-S631 VanDerWaalsContact C-N 3.31Å; E629-S631 PolarHBondContact O-N 2.87Å
630D52.2Low50.8Low118 Ų118151.7 Ų151.763%0.63178%0.784SS**G310 helixtrans-77.8-16.4-173.5-153.829000113.4F632 R633D630-F632 PolarHBondContact O-N 2.86Å; D630-R633 PolarHBondContact O-N 3.05Å; D630-R633 VanDerWaalsContact O-N 3.16Å
631S50.6Low50.9Low90 Ų90150 Ų15063%0.62978%0.78SS**G310 helixtrans-62-18.1-178.7-163.30000114.2E629E629-S631 VanDerWaalsContact C-N 3.31Å; E629-S631 PolarHBondContact O-N 2.87Å
632F53.3Low50.7Low173 Ų173148.8 Ų148.876%0.75977%0.774SS**G310 helixtrans-94.7-2.4-179.8-69.5-78.5000114.8D630D630-F632 PolarHBondContact O-N 2.86Å
633R53.8Low50.5Low206 Ų206146.7 Ų146.778%0.77777%0.766SS**SBendtrans-92.3-16.8-178.1-69.8-175.4174.2-117-0.4114.5D630D630-R633 PolarHBondContact O-N 3.05Å; D630-R633 VanDerWaalsContact O-N 3.16Å
634S54.8Low50.7Low89 Ų89144.6 Ų144.662%0.62276%0.755SS**SBendtrans-85.5-22.6-172.949.70000115R636S634-R636 VanDerWaalsContact C-N 3.26Å; S634-R636 PolarHBondContact O-N 3.13Å
635D52.1Low51.3Low153 Ų153148.2 Ų148.282%0.81875%0.753SS**THydrogen-bonded Turntrans-81.913.4-173.4-161.747.2000115.1
636R51.9Low51.9Low230 Ų230150.9 Ų150.987%0.86877%0.765SS**THydrogen-bonded Turntrans-114.917.6178.2-58.3-165.276.2-162.24114.4S634S634-R636 VanDerWaalsContact C-N 3.26Å; S634-R636 PolarHBondContact O-N 3.13Å
637L52.9Low51.7Low164 Ų164153.8 Ų153.886%0.85977%0.765SS**  trans-129.671.7178.5-86.8164.7000112.1
638K44.8Very low51.7Low281 Ų281161.2 Ų161.2100%1.22278%0.78SS**  trans-1530161.7-153.7148.8-168.2163.20112.8

Retrieved 638 of 638 residues in 272 ms (Link to these results)