A0A096LY38_POEFO Loading...

GPRIN family member 3b

May be involved in neurite outgrowth.

AlphaFold DB , UniProt , Accession A0A096LY38, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 639 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
1M44.2Very low53.8Low243 Ų243146.2 Ų146.2100%1.19781%0.812SS**  0115.40-64.2-60.6-95.600107.7
2G46Very low54.4Low84 Ų84147.7 Ų147.787%0.86681%0.809SS**PPolyproline II helixtrans-77.2143.7-175.600000112.7N4G2-N4 PolarHBondContact O-N 2.8Å
3T56.6Low54.6Low139 Ų139148.5 Ų148.585%0.85381%0.806SS**PPolyproline II helixtrans-72.3122.1170.948.10000110.1
4N47.8Very low55.3Low137 Ų137145.4 Ų145.473%0.73380%0.795SS**PPolyproline II helixtrans-60.8123.1-178.7-166.4-7.4000110.7G2 K6G2-N4 PolarHBondContact O-N 2.8Å; N4-K6 PolarHBondContact O-N 2.65Å
5P57Low55.4Low104 Ų104142.8 Ų142.868%0.67579%0.787SS**PPolyproline II helixtrans-64.4134-17925.5-34.4000111.3R7P5-R7 PolarHBondContact O-N 2.66Å; P5-R7 VanDerWaalsContact O-N 3.11Å
6K55.1Low55.2Low202 Ų202146.3 Ų146.388%0.87880%0.796SS**  trans-59.4114.6179.7-64-179.4179.9-177.90109.9N4 T8N4-K6 PolarHBondContact O-N 2.65Å; K6-T8 PolarHBondContact O-N 2.76Å; K6-T8 VanDerWaalsContact O-N 3.09Å
7R57.5Low55Low227 Ų227147 Ų14786%0.85780%0.798SS**  trans-75.493.6173.4-69.7-177.4178.7172.8-2.4109.7P5 V9P5-R7 PolarHBondContact O-N 2.66Å; P5-R7 VanDerWaalsContact O-N 3.11Å; R7-V9 PolarHBondContact O-N 3.44Å
8T63.4Low54.5Low112 Ų112144.3 Ų144.369%0.68780%0.799SS**  trans-68.7110.4168.7-53.20000109K6 T10K6-T8 PolarHBondContact O-N 2.76Å; K6-T8 VanDerWaalsContact O-N 3.09Å; T8-T10 HydrophobicContact CG2-CG2 4.21Å
9V58.2Low54Low123 Ų123144.2 Ų144.275%0.74580%0.802SS**  trans-90.5108.3173.4-179.90000108.6R7 V11R7-V9 PolarHBondContact O-N 3.44Å; V9-V11 HydrophobicContact CG1-CG2 4.33Å
10T56.4Low53.6Low121 Ų121141.6 Ų141.674%0.74280%0.8SS**  trans-91.2102.6175.950.30000110.2T8 Q12T8-T10 HydrophobicContact CG2-CG2 4.21Å; T10-Q12 PolarHBondContact O-N 2.91Å
11V49.8Very low52.8Low116 Ų116141.4 Ų141.470%0.70380%0.797SS**  trans-81103.4172.9-177.80000109V9 M13V9-V11 HydrophobicContact CG1-CG2 4.33Å; V11-M13 HydrophobicContact CG1-CE 4.36Å; V11-M13 HydrophobicContact CG1-CG 4.44Å
12Q60.3Low53.1Low164 Ų164135.5 Ų135.577%0.76678%0.777SS**  trans-91.5106.1175-172173.311.200110T10 V14T10-Q12 PolarHBondContact O-N 2.91Å; Q12-V14 HydrophobicContact CG-CG2 4.17Å; Q12-V14 PolarHBondContact O-N 3.42Å
13M56.8Low53.1Low158 Ų158138.6 Ų138.678%0.77877%0.773SS**  trans-81.7106.7171.7-64.5-85.572.600109.3V11 P15V11-M13 HydrophobicContact CG1-CE 4.36Å; V11-M13 HydrophobicContact CG1-CG 4.44Å; M13-P15 WeakPolarHBondContact O-CD 3.26Å
14V64.9Low52.3Low106 Ų106136.8 Ų136.864%0.64277%0.772SS**  trans-91.5116.1173.6-179.30000108.5Q12 Q16Q12-V14 HydrophobicContact CG-CG2 4.17Å; Q12-V14 PolarHBondContact O-N 3.42Å; V14-Q16 PolarHBondContact O-N 3.09Å
15P56.6Low51.9Low106 Ų106137.2 Ų137.269%0.68877%0.774SS**  trans-64125.7170.8-18.432.1000109.4M13 L17M13-P15 WeakPolarHBondContact O-CD 3.26Å; P15-L17 PolarHBondContact O-N 3.09Å; P15-L17 VanDerWaalsContact O-N 3.08Å
16Q53.2Low51.5Low199 Ų199140.6 Ų140.693%0.9378%0.778SS**  trans-69.4108.2174.4-65.9-167.241.300109.3V14 A18V14-Q16 PolarHBondContact O-N 3.09Å; Q16-A18 PolarHBondContact O-N 3.3Å
17L51.1Low50.8Low158 Ų158137.8 Ų137.883%0.82777%0.769SS**  trans-68.8125.9169.3-67.8174.5000108.6P15 V19P15-L17 PolarHBondContact O-N 3.09Å; P15-L17 VanDerWaalsContact O-N 3.08Å; L17-V19 PolarHBondContact O-N 3.14Å
18A46.2Very low50.2Low98 Ų98133.2 Ų133.281%0.8177%0.771SS**  trans-60.6126.4176.600000110.2Q16 A20Q16-A18 PolarHBondContact O-N 3.3Å; A18-A20 PolarHBondContact O-N 3.03Å
19V44.8Very low48.9Very low143 Ų143135.8 Ų135.887%0.86778%0.781SS**  trans-72.798.3175.5179.50000108.4L17 D21L17-V19 PolarHBondContact O-N 3.14Å; V19-D21 PolarHBondContact O-N 3.33Å
20A46.1Very low48.2Very low91 Ų91134.1 Ų134.175%0.75278%0.78SS**  trans-75.7113.1171.100000109.5A18 P22A18-A20 PolarHBondContact O-N 3.03Å; A20-P22 WeakPolarHBondContact O-CD 3.28Å
21D36.2Very low47.3Very low138 Ų138135.2 Ų135.274%0.73878%0.781SS**  trans-71.2118.7-178.8-174.317.3000111.5V19 L23V19-D21 PolarHBondContact O-N 3.33Å; D21-L23 VanDerWaalsContact C-N 3.32Å; D21-L23 PolarHBondContact O-N 3.17Å
22P50.9Low46.7Very low119 Ų119141.7 Ų141.777%0.77379%0.793SS**SBendtrans-86.157.1-169.135.8-37.8000113.6A20A20-P22 WeakPolarHBondContact O-CD 3.28Å
23L46.6Very low45.5Very low149 Ų149136.3 Ų136.378%0.7878%0.782SS**  trans-141.950179.4-152.474.2000116D21D21-L23 VanDerWaalsContact C-N 3.32Å; D21-L23 PolarHBondContact O-N 3.17Å
24A39.9Very low44.6Very low102 Ų102136.7 Ų136.784%0.84379%0.787SS**  trans-14364.7173.900000113.6
25N38.1Very low43.2Very low145 Ų145139.1 Ų139.178%0.77579%0.791SS**  trans-127.467.2-177.763.3-22.6000114.5
26K48.5Very low42.3Very low175 Ų175140 Ų14076%0.76180%0.8SS**  trans-145.9139165.6-79.5178.3158.6-87.40109
27E40.8Very low41.5Very low144 Ų144137.1 Ų137.167%0.67379%0.786SS**  cis-176.5128.3-21.253.7-161.5109.500103.6
28S45.5Very low40.8Very low131 Ų131136.4 Ų136.492%0.91678%0.783SS**  trans-163.898.1169.5-84.40000109.7
29N34.8Very low40.2Very low165 Ų165140.4 Ų140.488%0.88278%0.782SS**  trans-87.8125.4176.3177.97.5000109.2
30A44.9Very low39.6Very low88 Ų88141.6 Ų141.673%0.72778%0.782SS**  trans-129.7107.6175.700000110.6
31N36.4Very low39Very low145 Ų145142.4 Ų142.478%0.77578%0.782SS**  trans-46.4154.1180-171.939.8000116.5
32W37.8Very low38.8Very low251 Ų251144.2 Ų144.295%0.95179%0.786SS**  trans-116.8136.4166.1-84.288.4000110.8
33G35.2Very low37.6Very low51 Ų51144.5 Ų144.553%0.52679%0.786SS.*  trans140.5140.2-177.300000109.8
34D37.1Very low36.7Very low167 Ų167142.9 Ų142.989%0.89379%0.786SS**  cis-143.9-173.28.8-86.2-43.1000113
35E37.5Very low37.4Very low157 Ų157143.6 Ų143.673%0.73478%0.782SS**  trans-61.2155.1-167.6-52.7177126.200116.9H37E35-H37 WeakPolarHBondContact CB-NE2 3.42Å; E35-H37 IonicContact OE2-CD2 3.82Å; E35-H37 IonicContact OE2-CE1 3.57Å; E35-H37 IonicContact OE2-NE2 2.75Å; E35-H37 PolarHBondContact OE2-NE2 2.99Å
36S35.7Very low37.1Very low124 Ų124144.1 Ų144.187%0.86778%0.784SS**  trans-106.297.3178.650.10000113.6
37H37.3Very low36.1Very low138 Ų138139.8 Ų139.864%0.63978%0.781SS**  trans-102108.6-177.2-67.1-75.9000114.4E35E35-H37 WeakPolarHBondContact CB-NE2 3.42Å; E35-H37 IonicContact OE2-CD2 3.82Å; E35-H37 IonicContact OE2-CE1 3.57Å; E35-H37 IonicContact OE2-NE2 2.75Å; E35-H37 PolarHBondContact OE2-NE2 2.99Å
38L36.4Very low35.4Very low144 Ų144137 Ų13775%0.75478%0.783SS**  trans59.4124.8143.6-64.7167.8000123
39K33.6Very low34.7Very low182 Ų182138 Ų13879%0.79178%0.778SS**  trans71.898.5138.5-67.3-178.5175.9-177.50122.6
40L31.8Very low34.4Very low168 Ų168136.7 Ų136.788%0.8878%0.775SS**  45.592.7101.7-159.8154.7000120.1
41S33.7Very low33.7Very low107 Ų107137.5 Ų137.575%0.74878%0.776SS**  trans-174.4128.6140.152.70000106.9
42Q31.5Very low33.3Very low176 Ų176135 Ų13582%0.82277%0.77SS**  72.7128.253.6-146.9-166.89.900114.9
43V26.7Very low32.8Very low126 Ų126131.7 Ų131.776%0.76476%0.762SS**  trans83.1129.9169.7-169.10000117.9
44C26.7Very low32.7Very low115 Ų115136.9 Ų136.978%0.77777%0.773SS**  trans-118.3174.3163-40.60000107.9
45P54.9Low32.3Very low117 Ų117135.7 Ų135.776%0.7676%0.761SS**  cis-138.5-174.4-1.736.5-15.2000115.4
46N31.9Very low31.9Very low155 Ų155134.6 Ų134.683%0.82976%0.761SS**  trans94.5139.1136.5-139.36.6000122.5
47A27.1Very low31.8Very low84 Ų84135.1 Ų135.169%0.69475%0.754SS**  trans68.6128146.900000124.4
48A27.3Very low33Very low87 Ų87133.7 Ų133.772%0.71976%0.757SS**  trans90.2110.6131.400000123.5
49L31.2Very low33.8Very low152 Ų152132.2 Ų132.280%0.79676%0.756SS**  73.3111.4124.6-64.9174.7000123.2
50T28.3Very low33.7Very low136 Ų136129.4 Ų129.483%0.83475%0.754SS**  trans68.9165.814473.10000117
51S29.5Very low33.6Very low106 Ų106127.3 Ų127.374%0.74175%0.753SS**  cis-149.6141.50.290.90000108.6
52S28.2Very low33.5Very low92 Ų92125.4 Ų125.464%0.64375%0.751SS**  93.7124.382.7-1800000116.3
53K28.2Very low33.5Very low182 Ų182121.4 Ų121.479%0.79175%0.748SS**  trans66.7161.2166.4-66.9174.6179.5-1770116
54Q32.1Very low33.8Very low160 Ų160122.1 Ų122.175%0.74875%0.753SS**  cis-145.5136.616.7176.6176.9-12.800107.3D56Q54-D56 PolarHBondContact NE2-OD2 3.13Å
55Q29.3Very low34.1Very low141 Ų141120.9 Ų120.966%0.65975%0.751SS**  cis74.393.531.3-164.7-177.120.300116.5
56D28.3Very low32.9Very low134 Ų134122.5 Ų122.572%0.71775%0.753SS**  trans-153.392.5153.3-95.1-52.8000113.6Q54Q54-D56 PolarHBondContact NE2-OD2 3.13Å
57N33.8Very low33.8Very low135 Ų135119.9 Ų119.972%0.72274%0.744SS**  trans28162145.8-75.3-29.8000126.8
58P63.6Low34.2Very low109 Ų109121.4 Ų121.471%0.70874%0.744SS**  trans-109.8-156.8-164.742.4-28000113
59P52Low35.3Very low113 Ų113123.2 Ų123.273%0.73475%0.749SS**  -155.4-167.775.532.5-5.8000117.8
60V32.4Very low35.3Very low122 Ų122123.3 Ų123.374%0.73975%0.745SS**  trans10793.8150.4-167.30000120.6
61S29.9Very low35.5Very low124 Ų124121.8 Ų121.887%0.86773%0.731SS**  trans73142.4133-59.80000125
62G31.3Very low35.6Very low68 Ų68125 Ų12570%0.70173%0.734SS**  trans116.277.4174.900000112.5
63A31.6Very low35.9Very low92 Ų92129.2 Ų129.276%0.7674%0.74SS**  48118.56100000112.1
64T32.4Very low36Very low141 Ų141125.7 Ų125.787%0.86574%0.739SS**  cis-157.416910.2-15.20000107.7
65A32.7Very low36Very low89 Ų89123.1 Ų123.174%0.73674%0.738SS**  cis-153.4-149.314.800000113.5
66N30.1Very low36Very low151 Ų151120.4 Ų120.481%0.80774%0.735SS**  trans-164.2-177.1-172.4-131.6-24.9000106.9
67P49.6Very low36.1Very low100 Ų100124.5 Ų124.565%0.64974%0.742SS**  cis-141.3179.8-15.644.4-26.1000116.3
68V36.2Very low36Very low115 Ų115127.8 Ų127.870%0.69775%0.75SS**  trans31132.3130.1178.80000119.4H70V68-H70 HydrophobicContact CG1-CB 4.31Å
69P50.7Low34.2Very low126 Ų126126 Ų12682%0.81875%0.751SS**  -150.7-16864.333.6-9.5000118.5
70H31.4Very low33Very low154 Ų154124.4 Ų124.471%0.71376%0.755SS**  cis169.4145.3-47.5-166.631.2000111.2V68V68-H70 HydrophobicContact CG1-CB 4.31Å
71I31.8Very low32.6Very low103 Ų103128 Ų12853%0.52876%0.764SS.*  trans72.6151168.2-37.8-168.8000113.9K73I71-K73 HydrophobicContact CG2-CD 4.43Å
72H32.8Very low32.5Very low173 Ų173126.2 Ų126.280%0.80176%0.757SS**  cis-129.9154.521.3-57.5-114.1000112
73K33.3Very low32.3Very low181 Ų181129.3 Ų129.379%0.78776%0.761SS**  cis75.4140.433-76.3-169.3174.6-179.40115.5I71I71-K73 HydrophobicContact CG2-CD 4.43Å
74S31.3Very low32.1Very low108 Ų108129.9 Ų129.976%0.75576%0.76SS**  cis-119.9-151.52.3-60.70000110.4
75S31.5Very low32Very low106 Ų106128.1 Ų128.174%0.74175%0.753SS**  cis-161.8149.10.417.60000107.4
76S28.7Very low31.8Very low85 Ų85128.2 Ų128.259%0.59475%0.754SS**  65.4129.466.6-151.30000114.1
77Y31Very low31.8Very low220 Ų220128.1 Ų128.186%0.86376%0.759SS**  cis-115.8-150.811.7-65.3-97.6000110.7
78K31.4Very low31Very low204 Ų204127.7 Ų127.789%0.88776%0.764SS**  cis-160.1169.65.7-157.5-172.3177-173.20110.3
79G25.4Very low30.6Very low70 Ų70129.5 Ų129.572%0.72277%0.77SS**  trans-83.9-170.6167.800000113.9
80G27.6Very low30.2Very low80 Ų80131.3 Ų131.383%0.82577%0.769SS**  cis-175.1-167.1800000111.9
81E24.8Very low31.2Very low199 Ų199129.4 Ų129.493%0.9377%0.77SS**  trans-70.2159.9-173-70.4171.47600116.4
82A27.7Very low31.4Very low86 Ų86129.3 Ų129.371%0.71179%0.785SS**  140.4120.1117.800000117.3
83V25.5Very low31.3Very low132 Ų132124.9 Ų124.980%0.879%0.786SS**  trans56.9123.6130.2-1770000122.2
84S28.5Very low31.5Very low105 Ų105121.5 Ų121.573%0.73479%0.785SS**  -176.1115.8127.9-76.50000109.3
85S29.7Very low31.8Very low103 Ų103123.4 Ų123.472%0.7279%0.787SS**  48.1112.38666.50000114.1
86A29.3Very low31.8Very low92 Ų92121 Ų12176%0.7678%0.78SS**  cis95.6142.625.400000116.3
87V30.5Very low32.1Very low148 Ų148125.6 Ų125.690%0.89779%0.789SS**  trans72.9121.3168-153.10000119.2
88A31.2Very low32.2Very low91 Ų91121.7 Ų121.775%0.75278%0.778SS**  trans162.1139.3148.800000109.4
89D28.4Very low32.1Very low154 Ų154117.6 Ų117.682%0.82477%0.771SS**  cis-155.1177.3-12.2-144.6-33.1000111.2
90M42Very low32.3Very low164 Ų164122.8 Ų122.881%0.80878%0.776SS**  trans-100.5-160.6176.3-76.3-134.376.500110.2
91P51.9Low32.4Very low114 Ų114124.4 Ų124.474%0.7478%0.775SS**  cis-150.5174.27.946.1-25.1000121.3
92A37.5Very low32.6Very low100 Ų100123.4 Ų123.483%0.82677%0.77SS**  trans67.2140.6140.500000124.8
93G30.9Very low33.4Very low81 Ų81125 Ų12584%0.83577%0.773SS**  trans176.5142.3165.200000112.5
94S37.5Very low33.3Very low110 Ų110121.4 Ų121.477%0.76976%0.763SS**  trans-139.8177.7-169.7730000112.7
95N36Very low33.3Very low147 Ų147123.4 Ų123.479%0.78677%0.771SS**  cis-158.5-178.116.4-123.9-32.2000108.2
96G31.6Very low33.2Very low57 Ų57123.3 Ų123.359%0.58878%0.776SS**  cis142.8150.7-4.800000114.3
97K36.7Very low33.1Very low181 Ų181122.1 Ų122.179%0.78777%0.773SS**  trans71.9167.4164.7-68.2174.7165.8-79.40119.5
98Q32.7Very low33Very low137 Ų137123 Ų12364%0.6477%0.768SS**  cis-175.5129.3-36.3-171.8170.2-300112.8
99T29.6Very low33.1Very low119 Ų119125.1 Ų125.173%0.7376%0.762SS**  trans63.3144.9154.3540000126.3
100Q29.3Very low33.2Very low179 Ų179125.3 Ų125.384%0.83676%0.758SS**  trans102.8144.3143-69.4-122.2-8.200123.1
101S28.7Very low32.6Very low113 Ų113122.7 Ų122.779%0.7976%0.755SS**  trans87.5132.5157.7-40000122.6
102E28.7Very low31.6Very low178 Ų178121.6 Ų121.683%0.83276%0.756SS**  trans-70.6-179.4158.9-106.5-159.3127.500112.4
103P44.9Very low31.1Very low119 Ų119123.8 Ų123.877%0.77375%0.753SS**  cis-144.3179.922.743.7-24.7000118.6
104G24.7Very low31.1Very low58 Ų58126.7 Ų126.760%0.59875%0.749SS**  104.5108.3123.900000121.5
105T26.8Very low30.7Very low147 Ų147126.2 Ų126.290%0.90275%0.746SS**  33.9131.8129.4-26.20000119.3
106A28.9Very low30.6Very low100 Ų100126.4 Ų126.483%0.82675%0.746SS**  cis-156.1171.237.900000111.8
107G27.3Very low30.5Very low68 Ų68130.1 Ų130.170%0.70176%0.757SS**  cis172.2153.8-4.600000112.8
108E27.4Very low30.3Very low167 Ų167125.2 Ų125.278%0.7876%0.759SS**  trans25.3117.6152.5-68.6-175.594.800121.1
109Q33.1Very low30.1Very low135 Ų135127.7 Ų127.763%0.63177%0.77SS**  96.3136.580.4-82-168.76100114.5
110H31Very low30.1Very low158 Ų158126.9 Ų126.973%0.73178%0.776SS**  trans66.7132.1145.8-68.7174.6000122.9
111S29.6Very low30Very low109 Ų109121.6 Ų121.676%0.76277%0.769SS**  trans65.8106.3133.1-59.70000122.5
112A30.2Very low30.1Very low90 Ų90121.4 Ų121.474%0.74477%0.768SS**  83.7132.7124.100000122.4
113N26.5Very low30.2Very low146 Ų146122 Ų12278%0.78177%0.77SS**  trans80.6142.3139.5-98-42.2000122.8
114L31.1Very low29.7Very low143 Ų143123.1 Ų123.175%0.74978%0.775SS**  trans63.296.2150.2-62.5171.2000121.1
115S30.7Very low30.2Very low99 Ų99130.1 Ų130.169%0.69279%0.789SS**  74.5139.5109.3-61.90000123.4
116L33.4Very low30.5Very low151 Ų151129.6 Ų129.679%0.79179%0.786SS**  trans102.9121.3138.9-82.8159.4000122.3
117T29.7Very low31Very low135 Ų135132.5 Ų132.583%0.82879%0.788SS**  trans80.5113.2145.4290000123.1
118G31.1Very low32Very low79 Ų79136.9 Ų136.981%0.81479%0.789SS**  trans118135.1141.700000116.3
119Q30.5Very low32.7Very low189 Ų189140 Ų14088%0.88379%0.794SS**  cis-162135.1-17.4-176.8172.9-10.500111.1
120A27.7Very low33Very low102 Ų102140 Ų14084%0.84380%0.799SS**  trans64.5158.6163.800000120.2
121G27.7Very low34.2Very low67 Ų67137.7 Ų137.769%0.69180%0.8SS**  trans96.968.6177.900000114.4
122S31.1Very low34.7Very low110 Ų110140.6 Ų140.677%0.76981%0.807SS**  80.4123.682.269.80000115.4
123E30.6Very low35.2Very low190 Ų190139.8 Ų139.889%0.88880%0.8SS**  trans71.3103.1161.7-59.2-177.3-178.600119.5
124T34Very low35.5Very low143 Ų143140 Ų14088%0.87780%0.802SS**  trans-130.3105.1160.737.20000112.6
125K36Very low35.9Very low205 Ų205141.1 Ų141.189%0.89181%0.806SS**  trans21.5120.6144.7-160.1172.6-175.7179.40119.4
126T33.3Very low36.3Very low135 Ų135145.1 Ų145.183%0.82881%0.811SS**  trans-73143.9169.416.80000114.1
127D38.2Very low36.3Very low162 Ų162144.6 Ų144.687%0.86681%0.814SS**  trans-105.2131.9157.2-89.2-43.5000109.8
128H50Low36.7Very low159 Ų159143.1 Ų143.174%0.73681%0.81SS**  trans-90.8116.7-174.7-155.4-95.7000111.6D130H128-D130 IonicContact CE1-OD1 3.33Å; H128-D130 PolarHBondContact CE1-OD1 3.2Å; H128-D130 IonicContact CE1-OD2 3.3Å; H128-D130 PolarHBondContact CE1-OD2 3.25Å; H128-D130 VanDerWaalsContact CE1-OD2 3.3Å; H128-D130 IonicContact ND1-OD1 3.66Å; H128-D130 IonicContact ND1-OD2 2.77Å; H128-D130 PolarHBondContact ND1-OD2 3.39Å
129R41.6Very low37Very low234 Ų234149 Ų14988%0.88382%0.815SS**  trans-109.999.1172.7-97.2-167.9171.1-157.60.2111S131R129-S131 PolarHBondContact O-N 3.31Å
130D40Very low37.2Very low135 Ų135143.9 Ų143.972%0.72281%0.814SS**  trans-70.5120.9173.4-74.6-77.8000112.2H128H128-D130 IonicContact CE1-OD1 3.33Å; H128-D130 PolarHBondContact CE1-OD1 3.2Å; H128-D130 IonicContact CE1-OD2 3.3Å; H128-D130 PolarHBondContact CE1-OD2 3.25Å; H128-D130 VanDerWaalsContact CE1-OD2 3.3Å; H128-D130 IonicContact ND1-OD1 3.66Å; H128-D130 IonicContact ND1-OD2 2.77Å; H128-D130 PolarHBondContact ND1-OD2 3.39Å
131S55.1Low37.8Very low109 Ų109147.4 Ų147.476%0.76281%0.81SS**  trans-126.889173-66.40000109R129 A133R129-S131 PolarHBondContact O-N 3.31Å; S131-A133 PolarHBondContact O-N 3.28Å
132N41Very low38Very low170 Ų170149.6 Ų149.691%0.90981%0.806SS**  trans-80.4114.5176.2-169.8-15.2000110.1
133A40.9Very low38.2Very low72 Ų72150.6 Ų150.660%0.59581%0.807SS**  trans-111.9132.3-176.800000111.9S131 I135S131-A133 PolarHBondContact O-N 3.28Å; A133-I135 PolarHBondContact O-N 3.3Å
134N32Very low38.2Very low152 Ų152147.6 Ų147.681%0.81381%0.806SS**  trans-52.9127.6167.1143.789.9000111.2
135I40.2Very low38Very low165 Ų165145.7 Ų145.785%0.84681%0.805SS**  trans-142.7154.7154.58.8175.1000111.2A133A133-I135 PolarHBondContact O-N 3.3Å
136K37.4Very low37.9Very low183 Ų183141.1 Ų141.180%0.79681%0.806SS**  trans-115.9133-166.3171.7-169.5172.7-166.50109.2
137T35.1Very low37.6Very low140 Ų140138.5 Ų138.586%0.85981%0.805SS**  trans-79.7135.517944.80000112.6
138S38.3Very low37.2Very low105 Ų105138.8 Ų138.873%0.73481%0.806SS**  trans-158.2128.1161.1540000111
139H36.7Very low37.1Very low201 Ų201136 Ų13693%0.93180%0.802SS**  trans-38.3151.7-178.6-52.1-95.5000118.1
140G33.3Very low36.5Very low82 Ų82130.9 Ų130.985%0.84580%0.797SS**  trans168.363.1167.400000117.5
141K41.1Very low36.1Very low177 Ų177128.5 Ų128.577%0.7780%0.796SS**  trans-83.9154.7160.3-84.8-173.1144.4-70.30109.3
142D33Very low34.7Very low112 Ų112129.7 Ų129.760%0.59980%0.799SS**  cis-155.2156.2-9.3-88-43.3000107.3
143T34.2Very low34.2Very low131 Ų131125.9 Ų125.980%0.80479%0.791SS**  trans156.4133.5131.4420000114.6
144C30.2Very low33.5Very low127 Ų127126.9 Ų126.986%0.85880%0.799SS**  trans36140135-57.30000121.9
145A31.3Very low33.4Very low103 Ų103125.2 Ų125.285%0.85180%0.799SS**  cis-161.1-174.3-2.900000111.7
146A32.2Very low33.1Very low110 Ų110126.2 Ų126.291%0.90980%0.798SS**  trans-64.7157.5-166.500000117.7
147G28.4Very low33.1Very low80 Ų80124.2 Ų124.283%0.82579%0.794SS**  trans-176.1101.7170.500000114.7
148L29.4Very low32.9Very low168 Ų168124.9 Ų124.988%0.8879%0.792SS**  trans-137.9165.7170.8-99.4176.3000106.8
149P48.4Very low32.6Very low101 Ų101123.3 Ų123.366%0.65679%0.786SS**  cis-141-178.11.434-11000116.9
150T28.6Very low32.7Very low125 Ų125125.2 Ų125.277%0.76779%0.785SS**  trans71.2145.5146.814.10000124.8
151A30.6Very low32.6Very low86 Ų86129.8 Ų129.871%0.71179%0.788SS**  trans83151136.400000121.8
152T26.3Very low32.4Very low133 Ų133125.5 Ų125.582%0.81679%0.786SS**  cis-166.1160.5-29.1-72.30000108.3
153A30Very low32.3Very low90 Ų90128.9 Ų128.974%0.74480%0.795SS**  trans96.9135.5153.100000121.8
154A27.2Very low32.1Very low94 Ų94129.2 Ų129.278%0.77779%0.787SS**  trans31.5127150.800000121.3
155S29Very low32.1Very low116 Ų116128.3 Ų128.381%0.81178%0.778SS**  cis75.3115.341-169.70000116
156K33.7Very low32.2Very low186 Ų186127.9 Ų127.981%0.80977%0.769SS**  trans-173.4131.9145.3-106.8178.4175.9-178.50114.4
157I37.8Very low32.9Very low141 Ų141128.9 Ų128.972%0.72377%0.766SS**  trans59.194.1141.1-53.5160.2000120.2
158D31.4Very low33.1Very low154 Ų154130.5 Ų130.582%0.82477%0.765SS**  45.4150.7104.3-140.8-4000125
159A32.1Very low33.2Very low73 Ų73132.2 Ų132.260%0.60377%0.768SS**  trans69.893.7148.200000124.6
160R37.7Very low32.5Very low241 Ų241132.2 Ų132.291%0.90978%0.777SS**  50.4131125.6-56.9179.3-170.9-144.71.9122.5
161I32.8Very low32.7Very low178 Ų178130.6 Ų130.691%0.91378%0.776SS**  -167.5168.6129-99.8154.7000108.7
162A35.3Very low33.7Very low86 Ų86132.2 Ų132.271%0.71178%0.78SS**  trans-141.9166-17300000113.8
163K32Very low34Very low184 Ų184132.9 Ų132.980%0.878%0.783SS**  trans66.3155-178.7-78.2-170.2155.8-1410114
164E29.2Very low34.1Very low137 Ų137136.6 Ų136.664%0.6479%0.785SS**  cis-162.9177.5-9.8-125.8-172.5-80.700108.7
165T30.6Very low34.2Very low109 Ų109140.6 Ų140.667%0.66979%0.79SS**  cis-151.5-163.9-3.6-157.60000110.2
166S33.2Very low34.3Very low93 Ų93139.2 Ų139.265%0.6579%0.786SS**  trans-85.9-179.7174.761.10000114.9
167P48Very low35.3Very low131 Ų131136.1 Ų136.185%0.85179%0.785SS**  -133.1-179.7124.738.8-30.9000113.6
168S32Very low34.8Very low114 Ų114134.5 Ų134.580%0.79779%0.785SS**  trans-129.3160.6-174.360.60000113.5
169E31.9Very low34.9Very low204 Ų204133.4 Ų133.495%0.95379%0.785SS**  trans-154.6-179.1144.6-129.5-176.9118.500112.4
170A33.8Very low34.9Very low101 Ų101139.3 Ų139.384%0.83580%0.797SS**  trans-117.2-171.5-157.400000115.4
171A31.6Very low35.2Very low92 Ų92132.9 Ų132.976%0.7679%0.786SS**  trans-113.8-161.5-172.800000111.3
172P51.9Low35.1Very low120 Ų120131 Ų13178%0.77978%0.783SS**  -127.3166.6-50.431.6-15.9000113.3
173V32.3Very low35Very low146 Ų146131.3 Ų131.389%0.88579%0.786SS**  trans-142.4145.8162.7-1760000110.9
174Q32.4Very low35Very low168 Ų168132 Ų13279%0.78579%0.792SS**  trans-103.3158.4173.3-61.4-177.4600112.3
175M29.5Very low35.2Very low178 Ų178133.9 Ų133.988%0.87780%0.801SS**  170.6167127.9-84.5-97.297.400110.2
176A30.8Very low35.7Very low88 Ų88134.5 Ų134.573%0.72780%0.804SS**  trans-128.7-156.9179.100000109.2
177P54.8Low35.8Very low121 Ų121135.3 Ų135.379%0.78681%0.81SS**  cis-127.7-179.9-31.340.1-26.8000112.3
178S27.5Very low35.6Very low106 Ų106136.1 Ų136.174%0.74181%0.807SS**  trans-169.8152.2143.4-137.40000118.9
179T33Very low36.1Very low132 Ų132140.4 Ų140.481%0.8181%0.812SS**  trans55.4122.2149.744.50000125.2
180K33Very low36.3Very low197 Ų197137.1 Ų137.186%0.85780%0.8SS**  trans-70.9180148.2-116.2-170.9178.2-178.50110.9
181P44.7Very low36.3Very low106 Ų106137.5 Ų137.569%0.68879%0.793SS**  cis-146.3-162.530.340.3-16.4000117.6
182T29Very low36.5Very low138 Ų138139.1 Ų139.185%0.84779%0.789SS**  trans97.3153.7160-44.50000117.2
183A33Very low36Very low93 Ų93142.2 Ų142.277%0.76979%0.79SS**  trans-149.5171.6-162.800000112.5
184Q32.4Very low36.1Very low197 Ų197141.7 Ų141.792%0.92178%0.782SS**  trans-154.8150.6166.2-148.6168.7-29.900113.5
185E34.6Very low36.4Very low177 Ų177140.4 Ų140.483%0.82778%0.78SS**  trans-91.1-175.8-180-57.5164.470.600112
186T39.7Very low36.5Very low122 Ų122136.7 Ų136.775%0.74877%0.77SS**  cis-138.8-178.412.446.50000108.6
187S36.3Very low36.4Very low110 Ų110138.4 Ų138.477%0.76978%0.777SS**  cis-164.916732.5-171.70000112.7
188D43.6Very low35.2Very low148 Ų148138.1 Ų138.179%0.79177%0.773SS**  trans-93.8157-163.2-55.1-92.2000118.2
189K42.4Very low35.4Very low205 Ų205138.2 Ų138.289%0.89177%0.774SS**  -168124.4111.6-124.7168.9-179.21690116.4
190N35.9Very low35.5Very low134 Ų134140 Ų14072%0.71777%0.773SS**  trans16.2141.4138.6-131.811.2000119.6
191T33.5Very low35.3Very low109 Ų109135 Ų13567%0.66976%0.762SS**  cis-164.2128.430.9-39.10000113.2
192N36.1Very low34.8Very low127 Ų127137.6 Ų137.668%0.67977%0.766SS**  22.3131.9124.4-118.9-25.8000118.3
193K42.4Very low34.9Very low184 Ų184140.3 Ų140.380%0.877%0.766SS**  cis-173.9165.844.7-83.4169.3-171.7174.50109.4
194N33.9Very low34.8Very low135 Ų135139.8 Ų139.872%0.72276%0.761SS**  cis-163.9172.2-23.5-166.917.3000109.9
195L38.7Very low34.8Very low141 Ų141136.7 Ų136.774%0.73876%0.755SS**  trans-29.3142.3174.5-64.8159.3000117.3
196C30.5Very low35.3Very low100 Ų100134.3 Ų134.368%0.67676%0.755SS**  cis75.4123.748.2-174.80000115.5
197S29.4Very low34.9Very low124 Ų124133.6 Ų133.687%0.86776%0.755SS**  trans-173.5153.8142.8-85.20000114.8
198T29.9Very low35.3Very low115 Ų115133.5 Ų133.571%0.70675%0.752SS**  trans-110.6148.4-171.3-59.70000112.3
199S31.6Very low34.8Very low108 Ų108134.3 Ų134.376%0.75575%0.751SS**  trans171.3142.1143.3-77.90000110.2
200Q35Very low34.4Very low171 Ų171131.9 Ų131.980%0.79974%0.743SS**  cis72.8135.643.3-64.7-159.550.100114.2
201S29.4Very low34.1Very low90 Ų90131.4 Ų131.463%0.62974%0.74SS**  cis-170.4169.7-15.5-158.40000111.4
202Q33.4Very low34.6Very low162 Ų162131.8 Ų131.876%0.75774%0.742SS**  trans70.7128.1159-71.517863.700119.5
203K31.9Very low34.4Very low195 Ų195135.5 Ų135.585%0.84875%0.752SS**  71.9144.587.6-73.9-170.4172.7-175.90116
204A29.9Very low34.1Very low81 Ų81131 Ų13167%0.66975%0.749SS**  cis-171.1155.7-13.500000113.3
205V32.5Very low34.9Very low133 Ų133129.5 Ų129.581%0.80675%0.747SS**  trans49.5125.4141.4174.80000120.6
206P46Very low34.8Very low127 Ų127130.7 Ų130.783%0.82575%0.749SS**  -139.5160.3105.138.1-25.7000116.4
207S29.8Very low35.1Very low107 Ų107130.8 Ų130.875%0.74874%0.742SS**  trans-112.3171.1171-47.60000110.4
208P46.3Very low35.6Very low107 Ų107133.7 Ų133.770%0.69574%0.739SS**  -153156.488.738.5-20.2000117.4
209Q31.5Very low35.7Very low165 Ų165133 Ų13377%0.77174%0.74SS**  trans53.2140.2150.9-61.5175.9-50.200119.9
210Q35.4Very low35.6Very low154 Ų154133.8 Ų133.872%0.7274%0.74SS**  cis-159.5-175.4-10.4-118.3167-105.300105.7
211D29.9Very low35.4Very low125 Ų125131.6 Ų131.667%0.66874%0.738SS**  cis-142-131.313.4-161.4-105.3000112.3
212V42.1Very low35.4Very low117 Ų117132.3 Ų132.371%0.70974%0.743SS**  trans-119.7145.7-158178.60000116.5
213K33.7Very low35.2Very low205 Ų205131.8 Ų131.889%0.89175%0.745SS**  trans91.6148.2160.7-113.6178.2-179.31790119.5
214A35.5Very low35.2Very low88 Ų88130.6 Ų130.673%0.72774%0.742SS**  trans-172.2-178.3-159.200000109.5
215P50.5Low35Very low105 Ų105134.6 Ų134.668%0.68274%0.744SS**  cis-146177.2-7.646.6-30.5000117.2
216Q36.7Very low34.8Very low166 Ų166136 Ų13678%0.77675%0.746SS**  trans64.1155147.2-54.8-126.91.700121.4
217N36.6Very low33.9Very low101 Ų101137.7 Ų137.754%0.5474%0.743SS.*  cis-166.9139.2-34.1-100.1-22.8000108.5
218K39.4Very low33.8Very low185 Ų185139.9 Ų139.980%0.80474%0.741SS**  55.4143.698.2-51.5-175.9-177-175.10116
219S31.9Very low33.5Very low102 Ų102140.6 Ų140.671%0.71375%0.746SS**  cis-159141.613.6-9.20000110.4
220T29.6Very low33.3Very low124 Ų124138 Ų13876%0.76174%0.738SS**  78.493.787-49.40000115.1
221T31.4Very low32.8Very low125 Ų125137.6 Ų137.677%0.76774%0.74SS**  75.2122.190.5-48.40000115.7
222S30.2Very low32.7Very low104 Ų104136.8 Ų136.873%0.72774%0.744SS**  170.6167.9101.9-53.30000109.9
223L28.8Very low32.1Very low152 Ų152143.5 Ų143.580%0.79676%0.757SS**  cis-162-156.7-10.6-121.4173.1000112.8
224Q31.6Very low31.8Very low170 Ų170141.3 Ų141.379%0.79475%0.747SS**  trans-82.8-177.3-179.9-77.1169.3-3.400115.3
225K25.4Very low31.7Very low164 Ų164142.7 Ų142.771%0.71375%0.749SS**  cis178.5157-21.5170.4-179.7173.1-173.90107.8
226I28.1Very low30.6Very low163 Ų163145 Ų14584%0.83675%0.751SS**  trans150.5161.9154.1-83.5155.5000110.1
227Q26.8Very low30.3Very low162 Ų162145.8 Ų145.876%0.75775%0.754SS**  -158.9168.2-61.3-170.3153.7-28.300108.9
228E28Very low29.9Very low153 Ų153150.2 Ų150.272%0.71576%0.763SS**  trans-74.7166.8-172.8-144.6-157125.200115.8D230E228-D230 PolarHBondContact OE1-N 3.04Å
229P40Very low29.6Very low122 Ų122149.8 Ų149.879%0.79277%0.766SS**  -155.4141.990.439.2-19.4000120.1
230D26.9Very low29.3Very low112 Ų112151.6 Ų151.660%0.59976%0.763SS**  trans25.8124.4131-171.529.8000122.8E228E228-D230 PolarHBondContact OE1-N 3.04Å
231N25.6Very low29.2Very low145 Ų145151.7 Ų151.778%0.77576%0.763SS**  -175.1156.8122.4-109.5-92.7000114.1
232S28.4Very low29Very low107 Ų107152.3 Ų152.375%0.74877%0.767SS**  trans-141.2147.1-175.9-72.70000114.9
233R28.8Very low28.8Very low259 Ų259152.6 Ų152.698%0.97776%0.764SS**  trans-158.8151.7163.4-108.1162.4-159.6-151.72.8114.5
234K28.5Very low28.8Very low159 Ų159156.6 Ų156.669%0.69177%0.77SS**  trans-75.9170.9-179.5-122.2-173.3174.8-173.80112.4E236K234-E236 HydrophobicContact CD-CG 3.72Å; K234-E236 VanDerWaalsContact CE-CG 3.49Å; K234-E236 HydrophobicContact CG-CG 4.32Å; K234-E236 IonicContact NZ-OE1 3.11Å; K234-E236 PolarHBondContact NZ-OE1 3.36Å
235P33.6Very low28.7Very low117 Ų117154.5 Ų154.576%0.7677%0.769SS**  cis-129.114344.624.7-1.6000115.9
236E26Very low29.2Very low154 Ų154155.8 Ų155.872%0.7278%0.775SS**  63.1125.297.4-56.2-161.5157.700118.2K234K234-E236 HydrophobicContact CD-CG 3.72Å; K234-E236 VanDerWaalsContact CE-CG 3.49Å; K234-E236 HydrophobicContact CG-CG 4.32Å; K234-E236 IonicContact NZ-OE1 3.11Å; K234-E236 PolarHBondContact NZ-OE1 3.36Å
237H31Very low29.6Very low181 Ų181153 Ų15384%0.83877%0.768SS**  trans-125.3128170.7-169.7-67.7000109.2
238R27.2Very low30.3Very low194 Ų194151.2 Ų151.273%0.73277%0.77SS**  trans-75141.3177.4179.7172.3171.8169.9-7.7110.2E240R238-E240 IonicContact CZ-OE1 2.76Å; R238-E240 IonicContact NE-OE1 2.71Å; R238-E240 PolarHBondContact NE-OE1 2.95Å; R238-E240 IonicContact NH2-OE1 2.62Å; R238-E240 PolarHBondContact NH2-OE1 3.03Å; R238-E240 IonicContact NH2-OE2 2.66Å
239M32.8Very low31.1Very low176 Ų176149.6 Ų149.687%0.86777%0.773SS**  trans-104.5136.3169-67-176.9-179.600109
240E26.9Very low31.1Very low141 Ų141149.1 Ų149.166%0.65978%0.779SS**  trans-137.4117.2166.2-118.4154.7-118.700109.5R238R238-E240 IonicContact CZ-OE1 2.76Å; R238-E240 IonicContact NE-OE1 2.71Å; R238-E240 PolarHBondContact NE-OE1 2.95Å; R238-E240 IonicContact NH2-OE1 2.62Å; R238-E240 PolarHBondContact NH2-OE1 3.03Å; R238-E240 IonicContact NH2-OE2 2.66Å
241T26.6Very low31.4Very low125 Ų125147.5 Ų147.577%0.76779%0.789SS**  trans-98.4134.5175.3-57.10000108.1
242V28.6Very low31.9Very low138 Ų138151.2 Ų151.284%0.83680%0.798SS**  trans-123123.5171.3-171.50000109.1
243T26.1Very low31.9Very low110 Ų110149.8 Ų149.868%0.67580%0.8SS**  trans-96.3141.4-171.1-50.60000111.4T245T243-T245 PolarHBondContact O-N 2.95Å; T243-T245 PolarHBondContact O-OG1 3.15Å
244Y28.4Very low32Very low236 Ų236142.6 Ų142.693%0.92580%0.797SS**  trans-61.7130.7175.4-137.8-95.8000110.9
245T29.4Very low32.1Very low126 Ų126143.7 Ų143.777%0.77380%0.804SS**  trans-124142.1-174.1-55.60000111.4T243T243-T245 PolarHBondContact O-N 2.95Å; T243-T245 PolarHBondContact O-OG1 3.15Å
246K35.5Very low32Very low191 Ų191145 Ų14583%0.8381%0.81SS**  trans-109.8140.1-171.2175.9-175.4172-179.70112.1
247P36.5Very low32.3Very low106 Ų106145.9 Ų145.969%0.68881%0.814SS**  trans-78.8167.2175.530.9-34.1000114.9
248P41.5Very low32.3Very low124 Ų124143.9 Ų143.981%0.80582%0.815SS**  trans-102.1178.1-150.140.1-38.4000116.7
249P44.6Very low32.3Very low119 Ų119139.8 Ų139.877%0.77381%0.812SS**  trans-112.2148.2-171.439.2-31000118.1
250A40Very low32.4Very low111 Ų111138.2 Ų138.292%0.91781%0.812SS**  trans72133.8141.900000123.3
251G32.7Very low32.8Very low79 Ų79137.4 Ų137.481%0.81482%0.816SS**  trans-173.4125.1164.800000112.7
252K36.8Very low33.1Very low222 Ų222138.2 Ų138.297%0.96582%0.816SS**  trans-74.5160.6-176.5-53.3173.3-176179.50111.9
253G28.8Very low33.3Very low77 Ų77139.6 Ų139.679%0.79482%0.817SS**  cis149148.7-1.200000111.3
254A30.1Very low33.5Very low109 Ų109140.1 Ų140.190%0.90182%0.824SS**  trans-159.7166.2174.300000111.6
255E30.7Very low33.6Very low181 Ų181134.2 Ų134.285%0.84682%0.817SS**  trans-103.8152.4-164.8-58.6166.2140.800114.4
256T30.7Very low33.8Very low145 Ų145133.3 Ų133.389%0.8982%0.816SS**  trans-161149.6141.5-00000110.7
257H33.5Very low33.5Very low172 Ų172132.3 Ų132.380%0.79681%0.814SS**  trans-84152.7-175.9-68.6-116.5000112.8
258T30.2Very low33.5Very low139 Ų139131.8 Ų131.885%0.85381%0.813SS**  -162.2139.2120.7-74.70000109.6
259T28.2Very low33Very low109 Ų109132.4 Ų132.467%0.66981%0.805SS**  trans-84.5136.3-174-50.50000112T261T259-T261 HydrophobicContact CG2-CG2 4.13Å
260V34.9Very low32.5Very low143 Ų143136.1 Ų136.187%0.86780%0.803SS**  trans-85.5112.9164.21770000109.1
261T34Very low31.9Very low124 Ų124137.2 Ų137.276%0.76179%0.794SS**  trans-104.9109.3171.4480000111.3T259T259-T261 HydrophobicContact CG2-CG2 4.13Å
262N33.9Very low32.1Very low141 Ų141142.9 Ų142.975%0.75480%0.796SS**  trans-64.1145.7166.7-178.99.2000111.2
263I32.3Very low32.7Very low167 Ų167137.9 Ų137.986%0.85679%0.787SS**  trans-166.4139.9145.9-99.9148.6000109.6
264C30.2Very low32.7Very low121 Ų121140.5 Ų140.582%0.81879%0.787SS**  trans-137.9128.9166.9173.50000108.1
265S31.6Very low32.8Very low113 Ų113140.9 Ų140.979%0.7978%0.778SS**  trans-167.7179162.6-146.70000112
266S32.9Very low33.1Very low106 Ų106141.7 Ų141.774%0.74178%0.778SS**  trans-145.8160.9-150.555.70000117.6
267H30.3Very low33.1Very low171 Ų171139.5 Ų139.579%0.79278%0.775SS**  trans81.3162.6148.5-160.2-101.3000120.9
268S35.3Very low32.9Very low95 Ų95137.6 Ų137.666%0.66478%0.776SS**  trans83.3147.6168.378.50000118.3
269E30.6Very low32.9Very low136 Ų136139.3 Ų139.364%0.63677%0.774SS**  cis-179.1155-12.4158.8176.2155.700112.9
270R35.1Very low32.9Very low198 Ų198139.7 Ų139.775%0.74778%0.776SS**  trans72.4162.1168-53.9-118.5-171.812822.2120
271D27.5Very low32.8Very low134 Ų134137.8 Ų137.872%0.71777%0.769SS**  cis-156.2176.2-12.3-119.8-26.5000112.9
272F35.6Very low32.6Very low198 Ų198136.9 Ų136.987%0.86877%0.768SS**  trans-106.8155.2-178.6-80.6-82.2000117.4
273P51.1Low32.2Very low117 Ų117137.4 Ų137.476%0.7677%0.77SS**  trans-148.3177.613733.5-14.4000115.5
274V28.8Very low32.6Very low132 Ų132137.5 Ų137.580%0.876%0.764SS**  -164.6134.4-54.7118.60000113.3
275V30.5Very low32.6Very low117 Ų117140.1 Ų140.171%0.70976%0.764SS**  trans66.1118.3151173.60000125
276K37.2Very low32.8Very low198 Ų198141.9 Ų141.986%0.86176%0.76SS**  trans49.9131139.2-61.6176.1-171.8175.60125
277A31.1Very low33.5Very low98 Ų98141.5 Ų141.581%0.8176%0.755SS**  trans-136.4-172.9149.100000110.8
278T29.9Very low33.3Very low133 Ų133141 Ų14182%0.81675%0.753SS**  trans-150.3171.2-159.3-38.50000114.1
279Q29.8Very low33.2Very low175 Ų175141.7 Ų141.782%0.81876%0.758SS**  trans82.3155.7162.8-66.9-152.4-16.700118.7
280V28Very low33.4Very low116 Ų116139.5 Ų139.570%0.70376%0.757SS**  cis-165.3160-14.6129.10000111.1
281S32.2Very low33.3Very low104 Ų104138.4 Ų138.473%0.72776%0.761SS**  trans68140.4167.4-130.10000116.9
282S30.8Very low33.6Very low105 Ų105139 Ų13973%0.73476%0.757SS**  cis75.3109.725.3-165.90000116.1
283N25.8Very low33.2Very low152 Ų152134.8 Ų134.881%0.81374%0.744SS**  -172.6171.2104-152.2-9.8000111.7
284K39.4Very low32.4Very low168 Ų168134.2 Ų134.273%0.7374%0.742SS**  trans-88.8156.2167.5-68.4174.8176.4177.70111.2
285H32.1Very low32.6Very low176 Ų176134.2 Ų134.282%0.81575%0.748SS**  165.8145.1110.9-96.6-85.1000114.8
286H35.6Very low32.6Very low150 Ų150132.2 Ų132.269%0.69475%0.751SS**  trans-84.9159.8158.2-165.3-118.5000107.3
287P46.8Very low32.4Very low99 Ų99129.4 Ų129.464%0.64375%0.75SS**  -160.5167.953.246.2-23.7000122.7
288E27.3Very low33.2Very low161 Ų161130.8 Ų130.875%0.75275%0.751SS**  trans56.9160.9136.2-77-179.893.300125.1
289S32.7Very low33.2Very low109 Ų109133.5 Ų133.576%0.76275%0.754SS**  trans86.6144.1151.6-151.60000117.9
290S33.8Very low33.3Very low89 Ų89130.2 Ų130.262%0.62276%0.757SS**  cis-172.4159.1-23.4-88.80000109.6
291Q33.6Very low33.4Very low175 Ų175129.1 Ų129.182%0.81876%0.76SS**  trans64160.2149.3-80.4-177.6-107.400119.5
292K33.8Very low33.4Very low148 Ų148133.7 Ų133.764%0.64377%0.767SS**  cis-164.5166-30.5-146.3176.8162.8-74.40109.1
293D27.8Very low33.4Very low109 Ų109134.3 Ų134.358%0.58377%0.772SS**  trans64.6106.2152.1-62.6-34.1000123
294S34.5Very low34Very low105 Ų105136.2 Ų136.273%0.73477%0.773SS**  74.7120.2110.8-57.50000124.2
295S32.7Very low33.9Very low131 Ų131134.2 Ų134.292%0.91678%0.777SS**  trans71.1128131.8-158.90000121.3
296G29.9Very low33.7Very low75 Ų75132.5 Ų132.577%0.77378%0.779SS**  trans161.699.9164.900000115.2
297V33Very low33.5Very low139 Ų139131.4 Ų131.484%0.84279%0.786SS**  trans-115127.6170.9166.50000107.8
298P48.2Very low32.7Very low128 Ų128130 Ų13083%0.83179%0.79SS**  -145.5175.7102.636.2-18.1000115.7
299Q30.3Very low33Very low190 Ų190131.1 Ų131.189%0.88880%0.795SS**  trans-90.6151.5-170.7-57174.8-400114.7
300A30.2Very low32.8Very low105 Ų105131.8 Ų131.887%0.86880%0.795SS**  trans-153.4148.3143.500000110.2
301A31.5Very low32.7Very low94 Ų94131.8 Ų131.878%0.77779%0.794SS**  trans-103.6169.6-179.600000111.1
302K31.4Very low32.6Very low199 Ų199131.1 Ų131.187%0.86579%0.791SS**  cis-143165.219-55.8163.7-174.9172.80107
303S30.8Very low32.7Very low119 Ų119131.9 Ų131.983%0.83280%0.797SS**  cis-165.6-179.440.4490000111.8
304K38.7Very low32.7Very low192 Ų192132.4 Ų132.484%0.83580%0.804SS**  trans-90.8162.1-174.6-42.3-176.1179-175.90112.5
305P36.7Very low32.5Very low126 Ų126133.4 Ų133.482%0.81881%0.811SS**  -132.4147.469.138.1-26000114.7
306T29.4Very low32.5Very low139 Ų139136 Ų13685%0.85381%0.809SS**  trans-154.8140.6173.8-42.80000111
307C31.2Very low32.4Very low127 Ų127138.9 Ų138.986%0.85881%0.811SS**PPolyproline II helixtrans-82.9153.9176.7-168.50000111.3
308G30Very low32.1Very low69 Ų69139.2 Ų139.271%0.71181%0.809SS**PPolyproline II helixtrans-101.4132.1-176.400000114.4
309Q32.7Very low31.1Very low185 Ų185140 Ų14086%0.86481%0.811SS**PPolyproline II helixtrans-98.4170.3148.3-70.2179.6-19.400107.9
310V29.1Very low31.1Very low124 Ų124135 Ų13575%0.75280%0.802SS**  173.7131.981.81540000104
311S32.4Very low30.9Very low88 Ų88136.3 Ų136.362%0.61580%0.799SS**  74.1141.461.5-130.50000115.4
312E31.3Very low30.9Very low162 Ų162137.1 Ų137.176%0.75780%0.798SS**  trans22.4117.4175.7-68.3117.2133.200119.8
313E35.2Very low30.7Very low164 Ų164134.5 Ų134.577%0.76680%0.799SS**  107.1123.162.3-166.6-149115.300109.9
314T28.4Very low30.6Very low120 Ų120132.6 Ų132.674%0.73680%0.798SS**  trans171.2161.1134.630.40000112.4
315S29.2Very low30.3Very low125 Ų125132.3 Ų132.387%0.87480%0.8SS**  trans83.3132.2157.6-55.40000119.8
316Q32.9Very low30.5Very low186 Ų186133.9 Ų133.987%0.86980%0.796SS**  trans-123.7141.4177167.4-168.829.100107.4
317T27.1Very low30.7Very low135 Ų135134.2 Ų134.283%0.82879%0.792SS**  trans169.8149.1148.3-75.20000111.1
318D27.8Very low31.1Very low147 Ų147133.5 Ų133.579%0.78679%0.788SS**  trans-56.3152.1173.6-79.9-85000116.3
319T25.9Very low31.5Very low144 Ų144136.6 Ų136.688%0.88379%0.794SS**  -170.1145.2120.9-74.50000109.6
320A31.5Very low32Very low85 Ų85136.1 Ų136.170%0.70279%0.792SS**  trans-108.2164.2-176.200000113.5
321V26.2Very low32.3Very low132 Ų132139.3 Ų139.380%0.880%0.796SS**  170.1139.8129.6151.90000111.9
322C31.3Very low32.5Very low112 Ų112144.3 Ų144.376%0.75781%0.806SS**  trans1.9159.4157.5-50.80000121.5
323T26.9Very low33Very low144 Ų144145.9 Ų145.988%0.88381%0.814SS**  cis-148.1166.635.4500000114.4
324G28.7Very low33.2Very low79 Ų79142.5 Ų142.581%0.81481%0.814SS**  trans170.6115.3167.800000112.8
325E33.3Very low33.5Very low185 Ų185142 Ų14286%0.86482%0.815SS**  trans-97.3145.5177.1-58.9172.810200111
326Q39.5Very low34.4Very low159 Ų159142.6 Ų142.674%0.74381%0.814SS**  171.8144.5105.6-94.3-159.8-3.600116.1
327L35.1Very low35.2Very low146 Ų146140.4 Ų140.476%0.76481%0.805SS**  trans58.5128.6143.7-62.4176.3000122.2
328S38.8Very low36.1Very low112 Ų112138.4 Ų138.478%0.78379%0.793SS**  trans-93.6146.1162.8500000111.7
329T37.9Very low36.3Very low134 Ų134137.1 Ų137.182%0.82280%0.795SS**  trans-137165164.2540000110.3
330Q42.4Very low36.8Very low176 Ų176139.1 Ų139.182%0.82279%0.792SS**  trans-133.8121.6-158.8175-172.875.900112
331F36.5Very low36.9Very low190 Ų190140.1 Ų140.183%0.83380%0.8SS**  trans-134.5123.1164.9-65.2-87.7000107.7
332K36.4Very low37.5Very low193 Ų193139.3 Ų139.384%0.83980%0.801SS**  cis93.465.836.7-164-179.2-176.6-178.30112.3
333E41.5Very low37.7Very low195 Ų195140.4 Ų140.491%0.91180%0.804SS**  trans-69.1143.9170.3-168.5177.1169.700111.2
334A40.4Very low38.9Very low94 Ų94138.6 Ų138.678%0.77780%0.804SS**  trans-94.6111.6-170.100000112.7
335S33.5Very low39.8Very low108 Ų108143.5 Ų143.576%0.75580%0.803SS**  trans-78139172.9-176.80000111.8
336T48.2Very low40.6Very low139 Ų139142.2 Ų142.285%0.85380%0.797SS**  trans-114107.6170.3-57.40000110.1
337M50.2Low40.9Very low140 Ų140140 Ų14069%0.6980%0.798SS**  trans-102.4168.6163.6-55.2-161.178.800108.4
338T46Very low41.2Very low93 Ų93139.8 Ų139.857%0.57179%0.792SS**  cis-151.617317-27.80000108.3F340T338-F340 HydrophobicContact CG2-CD2 3.86Å; T338-F340 HydrophobicContact CG2-CE2 3.69Å
339S32Very low41.6Very low119 Ų119142 Ų14283%0.83280%0.795SS**  -172.3152.590.3-70.10000111.6
340F37.5Very low42.5Very low186 Ų186143.5 Ų143.582%0.81680%0.795SS**  trans-98.8144.6-178.4-63.4-93.4000112.4T338T338-F340 HydrophobicContact CG2-CD2 3.86Å; T338-F340 HydrophobicContact CG2-CE2 3.69Å
341A31.8Very low43.2Very low106 Ų106144.1 Ų144.188%0.87680%0.798SS**  trans-136.9130.2154.800000108.1
342S40.4Very low43.9Very low115 Ų115141 Ų14180%0.80480%0.795SS**  trans-102.3136.2-175.654.90000112.1
343T34.7Very low44.7Very low135 Ų135139.8 Ų139.883%0.82879%0.792SS**  trans-160.9122.1150.3-30000108.7K345T343-K345 PolarHBondContact O-N 2.92Å
344A52.4Low45.8Very low107 Ų107135.3 Ų135.388%0.88479%0.788SS**  trans-70.5122.5179.200000110.3
345K46.6Very low46.3Very low182 Ų182135.9 Ų135.979%0.79178%0.781SS**  trans-129.5122.6162.9-72-172.8178.5178.20108.8T343 C347T343-K345 PolarHBondContact O-N 2.92Å; K345-C347 PolarHBondContact O-N 2.87Å
346Q50.5Low47.1Very low158 Ų158134.7 Ų134.774%0.73878%0.778SS**  trans-77.786.3-179.9-176.7-177.3-1300109.3H348Q346-H348 VanDerWaalsContact CD-CE1 3.41Å; Q346-H348 PolarHBondContact NE2-CE1 3.21Å; Q346-H348 PolarHBondContact NE2-NE2 3.38Å; Q346-H348 PolarHBondContact O-N 3.41Å; Q346-H348 VanDerWaalsContact O-N 3.09Å; Q346-H348 PolarHBondContact O-ND1 3.43Å; Q346-H348 VanDerWaalsContact O-ND1 3.09Å
347C45.2Very low47Very low112 Ų112136.7 Ų136.776%0.75778%0.778SS**  trans-58.3113.4170-61.60000108.8K345K345-C347 PolarHBondContact O-N 2.87Å
348H43.1Very low47.1Very low141 Ų141135.8 Ų135.865%0.65378%0.78SS**  trans-91.3113.1165.5-70.573.6000106.7Q346 M350Q346-H348 VanDerWaalsContact CD-CE1 3.41Å; Q346-H348 PolarHBondContact NE2-CE1 3.21Å; Q346-H348 PolarHBondContact NE2-NE2 3.38Å; Q346-H348 PolarHBondContact O-N 3.41Å; Q346-H348 VanDerWaalsContact O-N 3.09Å; Q346-H348 PolarHBondContact O-ND1 3.43Å; Q346-H348 VanDerWaalsContact O-ND1 3.09Å; H348-M350 PolarHBondContact O-N 2.96Å
349D46.8Very low47.1Very low159 Ų159136.7 Ų136.785%0.8579%0.79SS**  trans-65.8105.6172-70.7-34.5000108.6E351D349-E351 PolarHBondContact O-N 2.97Å; D349-E351 VanDerWaalsContact O-N 3.13Å
350M55.6Low47.7Very low166 Ų166136.5 Ų136.582%0.81879%0.789SS**  trans-84.990.2-175.1-167.4163.464.700109.2H348 V352H348-M350 PolarHBondContact O-N 2.96Å; M350-V352 PolarHBondContact O-N 3.13Å
351E57.9Low48.4Very low188 Ų188137.1 Ų137.188%0.87979%0.791SS**  trans-62.991.1-176.6-168.7172.2-150.800111.6D349 Q353D349-E351 PolarHBondContact O-N 2.97Å; D349-E351 VanDerWaalsContact O-N 3.13Å; E351-Q353 PolarHBondContact O-N 3.02Å
352V52.2Low49.5Very low126 Ų126136.7 Ų136.776%0.76479%0.788SS**  trans-71.887.1177.9-80.60000110.9M350 A354M350-V352 PolarHBondContact O-N 3.13Å; V352-A354 PolarHBondContact O-N 3.2Å
353Q53.2Low49.9Very low167 Ų167137.2 Ų137.278%0.7879%0.786SS**  trans-69.787.5-179.1-168.7170.711.100112E351 V355E351-Q353 PolarHBondContact O-N 3.02Å; Q353-V355 HydrophobicContact CG-CG2 4.24Å; Q353-V355 PolarHBondContact O-N 3.38Å
354A62.9Low50.4Low100 Ų100134.4 Ų134.483%0.82678%0.784SS**  trans-69.991.9174.900000111.4V352 A356V352-A354 PolarHBondContact O-N 3.2Å; A354-A356 PolarHBondContact O-N 3.26Å
355V51.8Low50.5Low106 Ų106135.3 Ų135.364%0.64278%0.779SS**  trans-79.2109.3173.8-178.10000109.9Q353 E357Q353-V355 HydrophobicContact CG-CG2 4.24Å; Q353-V355 PolarHBondContact O-N 3.38Å; V355-E357 HydrophobicContact CG1-CG 4.19Å
356A51Low50.3Low83 Ų83132 Ų13269%0.68678%0.778SS**  trans-94.2101.1171.100000110.6A354 T358A354-A356 PolarHBondContact O-N 3.26Å; A356-T358 PolarHBondContact O-N 2.89Å
357E45.8Very low50.2Low181 Ų181130 Ų13085%0.84678%0.779SS**  trans-77.386.4175-68.7-161.9145.400112V355 S359V355-E357 HydrophobicContact CG1-CG 4.19Å; E357-S359 PolarHBondContact O-N 2.82Å
358T51Low50Low121 Ų121129.6 Ų129.674%0.74278%0.778SS**  trans-83.888.2174.255.60000111.4A356 S360A356-T358 PolarHBondContact O-N 2.89Å; T358-S360 PolarHBondContact O-N 2.77Å; T358-S360 VanDerWaalsContact O-N 3.11Å
359S46.3Very low50.5Low112 Ų112130.3 Ų130.378%0.78379%0.786SS**  trans-80.185.2177.552.90000112.7E357 K361E357-S359 PolarHBondContact O-N 2.82Å; S359-K361 VanDerWaalsContact C-N 3.35Å; S359-K361 PolarHBondContact O-N 3.13Å
360S44.6Very low51.1Low115 Ų115129.6 Ų129.680%0.80478%0.781SS**  trans-66.884.8175.3-640000112.4T358 A362T358-S360 PolarHBondContact O-N 2.77Å; T358-S360 VanDerWaalsContact O-N 3.11Å; S360-A362 VanDerWaalsContact C-N 3.35Å; S360-A362 PolarHBondContact O-N 3.07Å
361K53.2Low50.8Low199 Ų199127.7 Ų127.787%0.86578%0.781SS**  trans-82.773.4-176.2-157.9171.4-171.4175.20111.9S359 V363S359-K361 VanDerWaalsContact C-N 3.35Å; S359-K361 PolarHBondContact O-N 3.13Å; K361-V363 PolarHBondContact O-N 3.01Å
362A54.6Low49.7Very low98 Ų98129.1 Ų129.181%0.8178%0.784SS**  trans-67125.2179.600000112.2S360S360-A362 VanDerWaalsContact C-N 3.35Å; S360-A362 PolarHBondContact O-N 3.07Å
363V47.8Very low49.2Very low126 Ų126127.9 Ų127.976%0.76479%0.788SS**  trans-97.3103.4171.41760000108.2K361 T365K361-V363 PolarHBondContact O-N 3.01Å; V363-T365 HydrophobicContact CG1-CG2 4.23Å; V363-T365 PolarHBondContact O-N 3.45Å
364G46.6Very low48.4Very low76 Ų76123.1 Ų123.178%0.78478%0.783SS**  trans-86.798.7179.400000112.4
365T53.1Low47.1Very low125 Ų125124.6 Ų124.677%0.76779%0.788SS**  trans-103.373169.952.30000110.8V363V363-T365 HydrophobicContact CG1-CG2 4.23Å; V363-T365 PolarHBondContact O-N 3.45Å
366S42.6Very low46.2Very low112 Ų112123.2 Ų123.278%0.78380%0.795SS**PPolyproline II helixtrans-85120170.7-590000110.1S368S366-S368 PolarHBondContact O-N 3.27Å
367P49.2Very low45.7Very low118 Ų118125.9 Ų125.977%0.76680%0.802SS**PPolyproline II helixtrans-71.4119.2171.928.9-32.2000109.7
368S41.7Very low45.7Very low103 Ų103123.1 Ų123.172%0.7280%0.8SS**PPolyproline II helixtrans-80120.4174.3-173.60000110.2S366S366-S368 PolarHBondContact O-N 3.27Å
369L52.2Low45.1Very low156 Ų156126.8 Ų126.882%0.81780%0.8SS**  trans-114.775.6171.8-68.5-179.5000110.2
370L60.6Low44.7Very low144 Ų144130.3 Ų130.375%0.75480%0.804SS**  trans-134.9121165.2-71.6176.9000109.3
371P47.8Very low44.3Very low126 Ų126132 Ų13282%0.81880%0.799SS**  trans-72.4134172.929.8-32.8000110.4A373P371-A373 PolarHBondContact O-N 2.86Å
372F35.4Very low43.9Very low217 Ų217126.2 Ų126.295%0.95279%0.789SS**  trans-73121.6173.2-91.7-100.7000110.9
373A41.3Very low43Very low101 Ų101131.2 Ų131.284%0.83580%0.796SS**  trans-117.5132.415600000107.9P371P371-A373 PolarHBondContact O-N 2.86Å
374G36.1Very low42.7Very low66 Ų66130.6 Ų130.668%0.6880%0.796SS**  trans-103.5159-164.400000115.9
375S37.1Very low42.2Very low132 Ų132134.4 Ų134.492%0.92380%0.798SS**  trans55.4114.2157.458.20000119.6
376G31.6Very low41.4Very low77 Ų77132.8 Ų132.879%0.79480%0.798SS**  trans175.3105.916200000113.6
377V42.3Very low41.2Very low138 Ų138132.2 Ų132.284%0.83679%0.789SS**  trans-141.3117.4172.71740000107.8
378P44Very low40.6Very low123 Ų123132.7 Ų132.780%0.79979%0.79SS**  -127.2154.799.68.713.6000111.2
379R39.4Very low40.2Very low198 Ų198136.3 Ų136.375%0.74779%0.793SS**  cis76.775.848.7-164.9-124.3156.6175.4-12.2115.7E381R379-E381 IonicContact NH2-OE2 3.9Å; R379-E381 PolarHBondContact NH2-OE2 2.84Å
380E37.2Very low39.8Very low187 Ų187134.1 Ų134.187%0.87479%0.788SS**  trans-142.4135.1138.2-85-179.4122.700105.3
381E36.8Very low38.9Very low149 Ų149133.2 Ų133.270%0.69679%0.788SS**  cis98109.141.1-165.4144.8-174.600113.1R379R379-E381 IonicContact NH2-OE2 3.9Å; R379-E381 PolarHBondContact NH2-OE2 2.84Å
382A44.4Very low38.4Very low78 Ų78134.9 Ų134.965%0.64579%0.79SS**  trans27.9118.9166.900000121.6
383Q35.9Very low38.6Very low204 Ų204133.5 Ų133.595%0.95379%0.786SS**  -153.9144.5114.2-110.914598.400112.9
384S41.6Very low38.3Very low112 Ų112133.5 Ų133.578%0.78379%0.787SS**  trans-111.3128.1175.8179.80000108.8
385L35.4Very low38.7Very low157 Ų157138 Ų13882%0.82280%0.801SS**  trans-136.686.1177.9-149.880.8000111.2V387L385-V387 HydrophobicContact CD2-CG2 4.24Å; L385-V387 HydrophobicContact CG-CG2 4.46Å; L385-V387 PolarHBondContact O-N 3.47Å
386A38.1Very low38.6Very low91 Ų91135.3 Ų135.375%0.75279%0.793SS**  trans-82103.3168.700000109.4V388A386-V388 PolarHBondContact O-N 3.11Å
387V36.6Very low39.1Very low99 Ų99136.1 Ų136.160%0.679%0.787SS**  trans-81.8105.2176.6-179.90000109.6L385 F389L385-V387 HydrophobicContact CD2-CG2 4.24Å; L385-V387 HydrophobicContact CG-CG2 4.46Å; L385-V387 PolarHBondContact O-N 3.47Å; V387-F389 HydrophobicContact CG1-CD2 4.07Å; V387-F389 HydrophobicContact CG1-CE2 3.76Å; V387-F389 HydrophobicContact CG1-CZ 4.37Å
388V38.2Very low38.7Very low129 Ų129140.9 Ų140.978%0.78279%0.792SS**PPolyproline II helixtrans-82.8118.7169.11780000108.7A386A386-V388 PolarHBondContact O-N 3.11Å
389F33.4Very low38.3Very low178 Ų178142.8 Ų142.878%0.78179%0.79SS**PPolyproline II helixtrans-83.5128.2167.2-82.1-90.8000109.9V387V387-F389 HydrophobicContact CG1-CD2 4.07Å; V387-F389 HydrophobicContact CG1-CE2 3.76Å; V387-F389 HydrophobicContact CG1-CZ 4.37Å
390P43Very low38.1Very low110 Ų110139.6 Ų139.671%0.71479%0.786SS**PPolyproline II helixtrans-74.7138.5176.730.2-33.7000111.3
391V40.8Very low37.9Very low126 Ų126141.2 Ų141.276%0.76479%0.786SS**PPolyproline II helixtrans-71.8137.1162.5168.30000108.7E393V391-E393 HydrophobicContact CG1-CG 4.35Å
392N37.2Very low37.8Very low160 Ų160140.8 Ų140.886%0.85679%0.794SS**  trans-132.5123.7161-103.7-15.6000108
393E40.6Very low37.3Very low188 Ų188143 Ų14388%0.87980%0.799SS**  trans-85.7133.9175.5-64.5-179.5117.100110.5V391V391-E393 HydrophobicContact CG1-CG 4.35Å
394A35.2Very low37.4Very low102 Ų102138.2 Ų138.284%0.84379%0.789SS**  trans-148.2139.3163.700000109.3
395V44Very low36.9Very low160 Ų160141 Ų14197%0.9779%0.794SS**  trans-85.8135.3-169.9178.90000111.4
396G34.3Very low36.7Very low75 Ų75138.2 Ų138.277%0.77379%0.787SS**  trans-176.391.3173.500000113.5
397S43.3Very low36.3Very low95 Ų95140.2 Ų140.266%0.66479%0.791SS**  trans-84.7127172.954.30000111.3
398Y34.3Very low36.2Very low237 Ų237140.9 Ų140.993%0.92980%0.8SS**  trans-159.6159.6141.5-86.5-53000113
399Q34.1Very low35.9Very low164 Ų164143.8 Ų143.877%0.76680%0.804SS**  trans-82.7139.7-153.3-172.9171.74.500116
400I36.8Very low35.9Very low130 Ų130145.8 Ų145.867%0.66781%0.807SS**  trans45.9113.2151.1-56.4167.9000119.1
401Y31.6Very low35.2Very low222 Ų222148.5 Ų148.587%0.87182%0.815SS**  trans-148.2123.9130.7-102.2-82.2000109.1
402T35.3Very low34.6Very low140 Ų140147.1 Ų147.186%0.85981%0.806SS**  trans-107.787.6175.351.50000110.4
403T33.6Very low34.3Very low124 Ų124146 Ų14676%0.76181%0.805SS**  trans-90131.3176.3-51.30000110.3
404S37.7Very low33.8Very low104 Ų104144.9 Ų144.973%0.72780%0.8SS**  trans-63.6137.6178.6-1790000112.2
405L30.9Very low33.8Very low171 Ų171144.3 Ų144.390%0.89580%0.795SS**  trans-14290163-149.779.1000110.2
406S30.9Very low32.9Very low98 Ų98144.6 Ų144.669%0.68579%0.786SS**  trans-117.4115.8169.5-174.10000108.8S408S406-S408 PolarHBondContact O-N 3.2Å; S406-S408 VanDerWaalsContact O-N 3.12Å
407T31.2Very low33Very low133 Ų133149.6 Ų149.682%0.81679%0.792SS**  trans-78.192.1-178.648.30000110.7E409T407-E409 PolarHBondContact O-N 3.06Å
408S33.1Very low32.5Very low113 Ų113149.4 Ų149.479%0.7979%0.789SS**  trans-77.797.3170.9-64.70000110.7S406S406-S408 PolarHBondContact O-N 3.2Å; S406-S408 VanDerWaalsContact O-N 3.12Å
409E33.8Very low33Very low189 Ų189143.6 Ų143.688%0.88378%0.78SS**  trans-74.9128.6174.7-166163.8-144.900110.9T407 L411T407-E409 PolarHBondContact O-N 3.06Å; E409-L411 PolarHBondContact O-N 2.96Å
410R31.6Very low32.9Very low221 Ų221143.6 Ų143.683%0.83479%0.786SS**  trans-90.693.1-165.6180180170.4170.3-1.7111.6T412R410-T412 PolarHBondContact O-N 2.8Å
411L28.5Very low32.8Very low167 Ų167146.5 Ų146.587%0.87480%0.796SS**  trans-70.695.9169.5-81172.5000111.5E409E409-L411 PolarHBondContact O-N 2.96Å
412T29.3Very low32.7Very low96 Ų96140.4 Ų140.459%0.58979%0.792SS**  trans-80.5117.8164.3-54.40000108.8R410 E414R410-T412 PolarHBondContact O-N 2.8Å; T412-E414 PolarHBondContact O-N 2.98Å
413V30.3Very low32.5Very low137 Ų137139 Ų13983%0.8379%0.794SS**  trans-92.993.7172.2-178.40000108.9
414E30.6Very low32.2Very low164 Ų164136.9 Ų136.977%0.76680%0.797SS**  trans-66.3133.4163.1-85.1-70.7131.400109.7T412 E416T412-E414 PolarHBondContact O-N 2.98Å; E414-E416 PolarHBondContact O-N 3.26Å
415A34.1Very low31.9Very low91 Ų91139.9 Ų139.975%0.75280%0.804SS**  trans-92.975.9177.900000110.2M417A415-M417 PolarHBondContact O-N 3.44Å; A415-M417 VanDerWaalsContact O-N 3.08Å
416E26.9Very low31.8Very low166 Ų166137.8 Ų137.878%0.77680%0.802SS**  trans-65.7108.7-177.1-164.9-171.1133.300112E414 C418E414-E416 PolarHBondContact O-N 3.26Å; E416-C418 PolarHBondContact O-N 3.02Å; E416-C418 VanDerWaalsContact O-N 3.13Å
417M36.2Very low31.7Very low180 Ų180138.9 Ų138.989%0.88781%0.81SS**  trans-84.782.4-177.4-164.392.170.500111A415A415-M417 PolarHBondContact O-N 3.44Å; A415-M417 VanDerWaalsContact O-N 3.08Å
418C32.3Very low31.5Very low90 Ų90139.2 Ų139.261%0.60881%0.812SS**  trans-65.8140.9-176.5-117.80000113.3E416E416-C418 PolarHBondContact O-N 3.02Å; E416-C418 VanDerWaalsContact O-N 3.13Å
419P43.6Very low31.3Very low116 Ų116139.8 Ų139.875%0.75381%0.811SS**  trans-84.1148.1-164.633.2-36.7000114.2
420N32.4Very low31.2Very low163 Ų163137.7 Ų137.787%0.87281%0.811SS**  trans-115.9113.5173.1-89.6-85.1000112.5
421Q34.5Very low31.3Very low192 Ų192131 Ų13190%0.89780%0.803SS**  trans-139.7146.4159.6-69.2-173.394.200107.7
422A31.3Very low31.5Very low93 Ų93132.4 Ų132.477%0.76981%0.805SS**  cis-169.2139.4-22.100000107.9
423A30.3Very low31.5Very low111 Ų111136.2 Ų136.292%0.91781%0.814SS**  trans170.4143.1155.700000110.2
424G26.8Very low31.7Very low80 Ų80136.4 Ų136.483%0.82581%0.809SS**  trans149.738.417500000116.5
425L32.1Very low31.7Very low166 Ų166134.3 Ų134.387%0.86980%0.803SS**  trans-73.3124.5-179.2-101.5163.8000112.4
426C28.2Very low31.7Very low127 Ų127134.3 Ų134.386%0.85880%0.798SS**  trans-159.588.7158.1-100.30000112.1
427S28.3Very low32.1Very low121 Ų121137.4 Ų137.485%0.84680%0.802SS**  trans-161.7147.5153.8-86.90000111.5
428T27.9Very low32Very low140 Ų140137.4 Ų137.486%0.85981%0.805SS**  trans-83.1141.3-155.3-430000115
429T28.9Very low32.1Very low125 Ų125136.9 Ų136.977%0.76781%0.814SS**  trans-32.7127.2163.3-50.90000117.1
430V31.5Very low31.7Very low145 Ų145136.1 Ų136.188%0.87982%0.818SS**  trans-146.7148.8130.2174.90000107.5
431A32.9Very low32.2Very low82 Ų82138 Ų13868%0.67882%0.819SS**  trans-128.3142-174.100000114
432Q32.9Very low32.4Very low195 Ų195134.5 Ų134.591%0.91181%0.812SS**  trans-178.4164.9159.4-103.9164.347.700109.2
433K30Very low32.7Very low176 Ų176139.5 Ų139.577%0.76582%0.817SS**  -169.9121-56.1171.1-179.5171.7-174.80107.8
434L33.2Very low33.1Very low141 Ų141142.3 Ų142.374%0.73881%0.811SS**  trans69.8146.1162.1-71.8179.4000122.4
435D30.4Very low33.9Very low121 Ų121144 Ų14465%0.64781%0.807SS**  trans75105.6141.5-81.1-58.8000125
436S35.9Very low33.9Very low90 Ų90139.4 Ų139.463%0.62980%0.799SS**  59.1112.5110.2-600000122
437R34.3Very low34.3Very low232 Ų232138.8 Ų138.888%0.87580%0.797SS**  trans57105.9138.1-58.8176.1176.8-1002.3118.3
438L35.2Very low34.6Very low180 Ų180137.7 Ų137.794%0.94280%0.795SS**  -177166.299.3-94.6169.1000110.4
439G32.8Very low35.1Very low78 Ų78139 Ų13980%0.80480%0.796SS**  trans-90.2143.2-169.700000115
440A36.5Very low35.5Very low100 Ų100138.1 Ų138.183%0.82680%0.795SS**  trans-139.1149.5159.700000108.9P442A440-P442 WeakPolarHBondContact O-CD 3.19Å
441K42.3Very low35.9Very low204 Ų204136.4 Ų136.489%0.88779%0.789SS**  trans-106.3109.6-175177.3-177.9-179.1176.50110.9
442P37.9Very low36.8Very low118 Ų118140.3 Ų140.377%0.76680%0.797SS**PPolyproline II helixtrans-76.8155.2161.2-12.130000110.6A440A440-P442 WeakPolarHBondContact O-CD 3.19Å
443K37.9Very low37.7Very low198 Ų198138.6 Ų138.686%0.86179%0.789SS**PPolyproline II helixtrans-97.1128.9-174.2-175.2171.3178.4177.10110.5P445K443-P445 WeakPolarHBondContact O-CD 3.39Å
444E38.8Very low38.4Very low170 Ų170134.6 Ų134.679%0.79478%0.781SS**PPolyproline II helixtrans-52127.1170.8-72-80.5129.100112.3
445P44Very low39.3Very low116 Ų116134.4 Ų134.475%0.75379%0.785SS**  trans-95.6112150.932.8-22.1000108.8K443 S447K443-P445 WeakPolarHBondContact O-CD 3.39Å; P445-S447 PolarHBondContact O-N 3.46Å
446G32.3Very low39.9Very low68 Ų68138.1 Ų138.170%0.70179%0.792SS**  trans-64.7131.6-169.800000114.6A448G446-A448 PolarHBondContact O-N 2.88Å
447S35.9Very low40.5Very low115 Ų115140.9 Ų140.980%0.80480%0.795SS**  trans-68.197.7175.2-65.30000112.4P445 L449P445-S447 PolarHBondContact O-N 3.46Å; S447-L449 PolarHBondContact O-N 2.93Å
448A36.2Very low40.9Very low97 Ų97136.7 Ų136.780%0.80279%0.788SS**  trans-72.7105.4164.200000109.7G446 S450G446-A448 PolarHBondContact O-N 2.88Å; A448-S450 PolarHBondContact O-N 3.09Å
449L37.3Very low41.2Very low168 Ų168134.2 Ų134.288%0.8878%0.776SS**  trans-67.4101.1175.7-68.1171.9000110S447 S451S447-L449 PolarHBondContact O-N 2.93Å; L449-S451 PolarHBondContact O-N 3.42Å; L449-S451 VanDerWaalsContact O-N 3.17Å
450S36.6Very low42Very low107 Ų107136.9 Ų136.975%0.74877%0.77SS**  trans-68.4110.3178.257.30000110.9A448 I452A448-S450 PolarHBondContact O-N 3.09Å; S450-I452 PolarHBondContact O-N 3.48Å
451S40.6Very low42.7Very low109 Ų109140.2 Ų140.276%0.76277%0.769SS**  trans-56.6123.2174.4-1760000111.1L449 Q453L449-S451 PolarHBondContact O-N 3.42Å; L449-S451 VanDerWaalsContact O-N 3.17Å; S451-Q453 PolarHBondContact O-N 3.11Å; S451-Q453 VanDerWaalsContact O-N 3.16Å
452I51.1Low42.7Very low163 Ų163137.9 Ų137.984%0.83676%0.761SS**  trans-79.598.6-179-59.4172.7000108.5S450S450-I452 PolarHBondContact O-N 3.48Å
453Q53.5Low42.6Very low159 Ų159136.2 Ų136.274%0.74375%0.752SS**  trans-81.7136.9170.1-68.6-166.6-1300111.1S451 V455S451-Q453 PolarHBondContact O-N 3.11Å; S451-Q453 VanDerWaalsContact O-N 3.16Å; Q453-V455 PolarHBondContact O-N 2.89Å
454P43.8Very low42.5Very low93 Ų93134 Ų13460%0.60475%0.75SS**  trans-73.8108.3176.329.3-33.3000111Y456P454-Y456 HydrophobicContact CB-CE2 4.04Å; P454-Y456 HydrophobicContact CG-CE2 4.06Å; P454-Y456 WeakPolarHBondContact O-CD2 3.3Å; P454-Y456 PolarHBondContact O-N 3.35Å
455V51.3Low42.3Very low136 Ų136134.4 Ų134.482%0.82475%0.749SS**  trans-80.1110.1174.4178.40000109.9Q453 Q457Q453-V455 PolarHBondContact O-N 2.89Å; V455-Q457 PolarHBondContact O-N 3.03Å
456Y44.2Very low42Very low199 Ų199137.7 Ų137.778%0.7875%0.751SS**  trans-85.7101.3174.2-68.5-84000110.8P454P454-Y456 HydrophobicContact CB-CE2 4.04Å; P454-Y456 HydrophobicContact CG-CE2 4.06Å; P454-Y456 WeakPolarHBondContact O-CD2 3.3Å; P454-Y456 PolarHBondContact O-N 3.35Å
457Q47.3Very low42.1Very low148 Ų148141.4 Ų141.469%0.69276%0.755SS**  trans-85.9110.3176.1-175.7175.7-5.700111.2V455 N459V455-Q457 PolarHBondContact O-N 3.03Å; Q457-N459 PolarHBondContact NE2-OD1 3.17Å
458I43.8Very low41.9Very low144 Ų144141.4 Ų141.474%0.73875%0.75SS**  trans-97.3112.1175-55.4176.8000109.2I460I458-I460 HydrophobicContact CG2-CG1 4.3Å
459N41.7Very low41.8Very low129 Ų129144.1 Ų144.169%0.6976%0.756SS**  trans-88.7111.5174-69.3-28.6000109.9Q457Q457-N459 PolarHBondContact NE2-OD1 3.17Å
460I49.8Very low41.5Very low133 Ų133140.7 Ų140.768%0.68275%0.753SS**  trans-90104.1174.5-57.9178.2000109I458 H462I458-I460 HydrophobicContact CG2-CG1 4.3Å; I460-H462 PolarHBondContact O-N 3.3Å
461E50.1Low41.1Very low171 Ų171141.5 Ų141.580%0.79976%0.758SS**  trans-86.6107.5177.5-176.9167.8-150.900111.4S463E461-S463 VanDerWaalsContact C-N 3.3Å; E461-S463 PolarHBondContact O-N 3.09Å
462H42.3Very low40.5Very low154 Ų154139.9 Ų139.971%0.71376%0.759SS**  trans-7383.5173.9-73.3-101.9000110.9I460 N464I460-H462 PolarHBondContact O-N 3.3Å; H462-N464 PolarHBondContact O-N 3.18Å
463S35.1Very low39.5Very low84 Ų84137.7 Ų137.759%0.58775%0.752SS**  trans-66.289.4173.6-77.70000111.6E461 K465E461-S463 VanDerWaalsContact C-N 3.3Å; E461-S463 PolarHBondContact O-N 3.09Å; S463-K465 PolarHBondContact O-N 3.16Å
464N37.6Very low38.2Very low152 Ų152138.1 Ų138.181%0.81376%0.755SS**  trans-69.472173.6-67.3-31.6000111.4H462 K466H462-N464 PolarHBondContact O-N 3.18Å; N464-K466 PolarHBondContact O-N 3.13Å
465K34.8Very low37.6Very low178 Ų178140.9 Ų140.977%0.77476%0.763SS**  trans-69.394.5173.9-71.3-170.6177.7-175.70110.2S463S463-K465 PolarHBondContact O-N 3.16Å
466K37.7Very low36.5Very low185 Ų185139.7 Ų139.780%0.80476%0.761SS**  trans-98.692.8165.5-171.2176.1-175.2179.20108.2N464 T468N464-K466 PolarHBondContact O-N 3.13Å; K466-T468 PolarHBondContact O-N 3.34Å
467D33.8Very low35.8Very low145 Ų145136 Ų13678%0.77576%0.764SS**  trans-62.8122.6177.1-65.8-52.1000109.9
468T31.3Very low34.6Very low116 Ų116135.6 Ų135.671%0.71277%0.771SS**  trans-149.8106.7173.7-63.30000107.5K466 A470K466-T468 PolarHBondContact O-N 3.34Å; T468-A470 PolarHBondContact O-N 3.33Å
469V33.2Very low33.8Very low153 Ų153132.8 Ų132.893%0.92777%0.77SS**  trans-85.8109.4-173.3179.40000110.2
470A30.9Very low32.9Very low97 Ų97136.3 Ų136.380%0.80278%0.779SS**  trans-152.9131159.600000109.1T468T468-A470 PolarHBondContact O-N 3.33Å
471S29.6Very low31.7Very low123 Ų123133.9 Ų133.986%0.8678%0.779SS**  trans-108.3137.9174.9-170.90000109.8
472G27.3Very low30.9Very low75 Ų75131.7 Ų131.777%0.77378%0.779SS**  trans-157145-18000000109.3
473V30.4Very low30.1Very low117 Ų117129 Ų12971%0.70978%0.779SS**  trans-129.6138.2-152.1174.20000112.6
474E26.8Very low30.4Very low169 Ų169130.4 Ų130.479%0.7979%0.785SS**  trans65166.7166.3-79.2174.5-149.900116.5
475I30.6Very low29.8Very low151 Ų151131.3 Ų131.377%0.77479%0.785SS**  cis-136.817215.5-15.9178.8000112
476S28.7Very low29.4Very low111 Ų111128.3 Ų128.378%0.77678%0.781SS**  trans-79.8155.3-178.954.90000114.5
477S28.1Very low29Very low121 Ų121124 Ų12485%0.84678%0.781SS**  trans-154.6161.3150.556.60000110.7
478T23.3Very low28.8Very low139 Ų139123 Ų12385%0.85379%0.785SS**  trans-120.2153.2-172.5-52.60000110.7
479A26.1Very low28.7Very low86 Ų86122 Ų12271%0.71179%0.789SS**  trans114.1127.9145.500000118.8
480K24.1Very low28.5Very low202 Ų202120 Ų12088%0.87878%0.781SS**  trans76.9122132.1-161.7172.1-178.8-177.40119
481A25Very low28.6Very low83 Ų83120 Ų12069%0.68678%0.781SS**  trans-70.9164.3167.400000112.3
482P31.5Very low28.7Very low124 Ų124119.9 Ų119.981%0.80577%0.771SS**  -139.5163.195.839.2-28000115.3
483S27.4Very low29.2Very low99 Ų99125.8 Ų125.869%0.69277%0.769SS**  trans-84.7153.9159.4-162.30000109.5
484P39.5Very low29.6Very low112 Ų112127 Ų12773%0.72777%0.772SS**  -127.3156.991.31112000111.9
485E26.3Very low30.2Very low172 Ų172126.5 Ų126.580%0.80478%0.775SS**  53.5136.269.5-68.1-157.3150.700114.2
486T27.1Very low30.5Very low114 Ų114123 Ų12370%0.69977%0.768SS**  cis-164.4162.3-4.5-93.80000108.6
487A29.1Very low30.6Very low96 Ų96123 Ų12379%0.79376%0.763SS**  trans67.9162.6167.200000117.3
488S28.8Very low30.8Very low124 Ų124126.1 Ų126.187%0.86776%0.762SS**  cis-153.5-179.3-20.5-1680000109.3
489A28.1Very low31.5Very low95 Ų95123.8 Ų123.879%0.78575%0.751SS**  trans-92.9149.4-17100000116
490S30.8Very low31.9Very low111 Ų111128.8 Ų128.878%0.77676%0.76SS**  trans-168.4147145.962.20000107.3
491A32.6Very low32Very low95 Ų95122.6 Ų122.679%0.78575%0.753SS**  cis65.7134.73500000113.1
492D30.5Very low33.7Very low122 Ų122124.7 Ų124.765%0.65276%0.76SS**  cis-162.5171.5-15.3177.126.1000106.3
493R37.9Very low34.9Very low198 Ų198124.4 Ų124.475%0.74776%0.758SS**  trans79.3109.3159-47.1-165.9175.4175.9-6.8121.7
494N40Very low35.4Very low142 Ų142124 Ų12476%0.75976%0.76SS**  62.8103.2115.2-55.4-18.9000122
495N39.9Very low35Very low159 Ų159124.7 Ų124.785%0.8576%0.763SS**  60.8128.2107.1-165.337.2000120.7
496A35.8Very low35.3Very low77 Ų77122.4 Ų122.464%0.63676%0.761SS**  169.9172107.800000117.1
497V30.6Very low35.6Very low112 Ų112123 Ų12368%0.67977%0.765SS**  trans90.9140.7146.6-128.80000123.7
498F31.6Very low35.7Very low187 Ų187123.1 Ų123.182%0.8277%0.765SS**  trans76.9141.6160.2-65.2-76.3000120.9
499S38.3Very low36.1Very low89 Ų89124.7 Ų124.762%0.62276%0.764SS**  cis178.4170.5-28.7-1170000116.1
500Q34.3Very low36.5Very low192 Ų192125 Ų12590%0.89777%0.766SS**  trans77.8163.6155.7-71.6165.6112.600120.1
501G26.2Very low36.7Very low71 Ų71123.6 Ų123.673%0.73276%0.762SS**  trans-172.1-116.4-168.600000121.3
502P60.5Low36.8Very low127 Ų127124.1 Ų124.183%0.82576%0.76SS**  trans-80.7-179.5-147.737.7-43.3000116.4
503P58.6Low37.4Very low119 Ų119127.4 Ų127.477%0.77377%0.768SS**  cis-151.5-157.328.745.9-22.8000119
504A37.3Very low37Very low89 Ų89123.7 Ų123.774%0.73677%0.773SS**  trans79.8158.8159.500000118.7
505T31Very low36.5Very low128 Ų128120.2 Ų120.279%0.78577%0.77SS**  cis-166-179.3-18.126.70000108.3
506T32.3Very low36.2Very low124 Ų124117.6 Ų117.676%0.76176%0.76SS**  cis-159.7159.811.7-11.60000113.9
507T32.4Very low36.3Very low126 Ų126121 Ų12177%0.77377%0.768SS**  trans-18.1142157.1-47.30000124.1
508A31.5Very low36.6Very low98 Ų98120.6 Ų120.681%0.8177%0.77SS**  trans-179.5159.9132.500000114.7
509N38.7Very low36.9Very low157 Ų157115.5 Ų115.584%0.8476%0.762SS**  trans-112.9169.1-164.1-67.6-19.7000116.8
510A35.1Very low36.7Very low101 Ų101119 Ų11984%0.83577%0.769SS**  trans76.7157143.500000120.5
511A35.2Very low36.9Very low83 Ų83117.7 Ų117.769%0.68676%0.763SS**  cis-173.3161.6-27.700000111.6
512S35.7Very low37Very low106 Ų106117.6 Ų117.674%0.74176%0.762SS**  trans69.7160.7158.8-63.70000118.8
513K41.9Very low36Very low190 Ų190119.3 Ų119.383%0.82676%0.762SS**  cis-169.6166.1-24.1-106.2-179.5179.5-178.70109.2
514S30.1Very low35Very low120 Ų120120.8 Ų120.884%0.83976%0.757SS**  trans71153.8167.7-136.60000114.7
515G29.8Very low35.2Very low69 Ų69122.5 Ų122.571%0.71176%0.76SS**  cis149165.48.300000108.4
516T34.2Very low35.5Very low104 Ų104122.4 Ų122.464%0.63875%0.751SS**  cis-170.9125.25.9-68.20000110
517N37Very low35.6Very low150 Ų150124.4 Ų124.480%0.80275%0.749SS**  trans59.6171.7154.3-54.30.9000118.8
518S37.1Very low35.7Very low102 Ų102124 Ų12471%0.71374%0.742SS**  cis-163.4157.7-14.2-121.40000111.7
519A38.1Very low36.2Very low80 Ų80125.8 Ų125.866%0.66174%0.738SS**  trans60.6162.5147.300000119.4
520E34.8Very low36.6Very low163 Ų163127.6 Ų127.676%0.76274%0.741SS**  cis-169.2179.7-19.2-104.8171.767.700106.6
521Q37.9Very low37.2Very low165 Ų165132.2 Ų132.277%0.77175%0.745SS**  cis-156.5175.64.1-142.4-18076.300109.7
522G28.7Very low37.5Very low69 Ų69135.9 Ų135.971%0.71175%0.754SS**  trans160143.816600000114.6
523I39.7Very low37.8Very low162 Ų162137.7 Ų137.783%0.83176%0.755SS**  trans-127.7150.8-166.6-66.7179.7000114.5
524K35.6Very low37.7Very low151 Ų151137.9 Ų137.966%0.65776%0.759SS**  trans-43.8165.3172.5-126-165.7-177.6-173.20115.8E526K524-E526 WeakPolarHBondContact CE-OE2 3.47Å; K524-E526 IonicContact NZ-OE2 2.65Å; K524-E526 PolarHBondContact NZ-OE2 3.26Å
525P43.3Very low38.6Very low124 Ų124137.4 Ų137.481%0.80576%0.755SS**  -139.6-178.765.637-17.7000116.9
526E35.9Very low39.2Very low126 Ų126137.1 Ų137.159%0.58975%0.753SS**  trans-74.8159.6-176.1-76138.986.900116.3K524K524-E526 WeakPolarHBondContact CE-OE2 3.47Å; K524-E526 IonicContact NZ-OE2 2.65Å; K524-E526 PolarHBondContact NZ-OE2 3.26Å
527K35.2Very low39.8Very low167 Ų167141.1 Ų141.173%0.72677%0.767SS**  -140.7139.5128.5-171172.6177.6-77.50109.2D529K527-D529 IonicContact NZ-OD1 3.21Å; K527-D529 PolarHBondContact NZ-OD1 3.25Å; K527-D529 IonicContact NZ-OD2 2.69Å; K527-D529 PolarHBondContact NZ-OD2 2.62Å
528N35.3Very low40.2Very low118 Ų118142.7 Ų142.763%0.63177%0.769SS**  trans-94.9140.9173.7-55.8-31.7000109.5
529D41.2Very low40.8Very low135 Ų135146.9 Ų146.972%0.72278%0.775SS**  trans-146.5126.8154-68.5-66.9000105.2K527K527-D529 IonicContact NZ-OD1 3.21Å; K527-D529 PolarHBondContact NZ-OD1 3.25Å; K527-D529 IonicContact NZ-OD2 2.69Å; K527-D529 PolarHBondContact NZ-OD2 2.62Å
530E47.5Very low41.3Very low195 Ų195150.7 Ų150.791%0.91178%0.784SS**  trans-106120.3-177.3-65.7175.5137.100108.9
531E46.7Very low42.2Very low197 Ų197152.1 Ų152.192%0.92179%0.787SS**  trans-128.6142.6171.1-72.6-166133.800111.1
532D42.5Very low42.6Very low161 Ų161148.4 Ų148.486%0.86178%0.779SS**  trans-70.5129.4-177.5-92.4-58.5000112.7
533D40.7Very low43.8Very low143 Ų143151.6 Ų151.677%0.76579%0.785SS**  trans-147.851160.7-142.2-13.5000113.4
534Q41.3Very low44.7Very low194 Ų194151.1 Ų151.191%0.90778%0.779SS**  trans-101.162.8172.9-69.7-169.72.500112.2
535S48.4Very low45.9Very low110 Ų110151.1 Ų151.177%0.76979%0.786SS**  trans-116.934.5174.968.70000113.9
536G41.8Very low46.7Very low64 Ų64148.9 Ų148.966%0.6677%0.77SS**  trans-113.8151.7-17900000115.3
537M47.4Very low47.6Very low188 Ų188148.2 Ų148.293%0.92677%0.774SS**  trans67.957.6162.8-49.9-167.477.300118.9
538Q45.1Very low49Very low182 Ų182148.9 Ų148.985%0.8577%0.772SS**  trans-130.265.3145.6-75.3-153.118.800112.7
539K49.5Very low50.9Low191 Ų191147 Ų14783%0.8376%0.762SS**  trans-124.2167.7151.7-74.5-177.2178.8173.30108.1
540D48.7Very low52.2Low159 Ų159149.8 Ų149.885%0.8577%0.771SS**  trans63.457.1-179.4-50.4-18.5000114.4S542D540-S542 PolarHBondContact O-N 2.81Å; D540-S542 VanDerWaalsContact O-N 3.1Å
541K53.5Low53Low194 Ų194146.8 Ų146.884%0.84376%0.757SS**  trans-62.4108.4151.8-69.5-175.9-179.6-179.60107
542S45.7Very low53.9Low86 Ų86139.7 Ų139.760%0.60174%0.737SS**PPolyproline II helixtrans-58.3135.8-168.8450000112.8D540 H544D540-S542 PolarHBondContact O-N 2.81Å; D540-S542 VanDerWaalsContact O-N 3.1Å; S542-H544 PolarHBondContact O-N 3.48Å; S542-H544 VanDerWaalsContact O-N 3.15Å; S542-H544 PolarHBondContact O-ND1 3.18Å
543V54.1Low54.5Low136 Ų136138.4 Ų138.482%0.82473%0.727SS**PPolyproline II helixtrans-56.1120.21581790000106.3D545V543-D545 PolarHBondContact O-N 2.9Å
544H59.8Low55Low152 Ų152136.4 Ų136.470%0.70472%0.72SS**PPolyproline II helixtrans-74.2125.7177.8-71.633.2000108.1S542 V546S542-H544 PolarHBondContact O-N 3.48Å; S542-H544 VanDerWaalsContact O-N 3.15Å; S542-H544 PolarHBondContact O-ND1 3.18Å; H544-V546 PolarHBondContact O-N 2.76Å; H544-V546 VanDerWaalsContact O-N 3.16Å
545D59.5Low55.8Low152 Ų152134.6 Ų134.681%0.81371%0.705SS**PPolyproline II helixtrans-61.6119.6178.1-88.7-41.5000109.9V543 V547V543-D545 PolarHBondContact O-N 2.9Å; D545-V547 PolarHBondContact O-N 3.19Å
546V61.6Low56.1Low77 Ų77135 Ų13547%0.46770%0.695SS.*  trans-76.788.6-174.6-176.50000108.7H544 W548 W555H544-V546 PolarHBondContact O-N 2.76Å; H544-V546 VanDerWaalsContact O-N 3.16Å; V546-W548 HydrophobicContact CG1-CZ2 4.09Å; V546-W548 PolarHBondContact O-N 3.34Å; V546-W548 PolarHBondContact O-NE1 3.49Å; V546-W555 HydrophobicContact CG1-CD2 4.38Å; V546-W555 HydrophobicContact CG1-CG 4.21Å
547V55.2Low57Low112 Ų112136.7 Ų136.768%0.67969%0.692SS**PPolyproline II helixtrans-66.2128.6169.7-178.30000108.6D545 W555D545-V547 PolarHBondContact O-N 3.19Å; V547-W555 PolarHBondContact O-NE1 2.83Å
548W64.1Low57.2Low181 Ų181137.4 Ų137.469%0.68669%0.686SS**PPolyproline II helixtrans-100.8138.8172.4-62.281.3000108.8V546V546-W548 HydrophobicContact CG1-CZ2 4.09Å; V546-W548 PolarHBondContact O-N 3.34Å; V546-W548 PolarHBondContact O-NE1 3.49Å
549D74.9Confident57.6Low79 Ų79132.2 Ų132.242%0.42268%0.681SS.*PPolyproline II helixtrans-84.2166.8173.265.5-3000111.7Q551 G552 M553D549-Q551 PolarHBondContact O-N 3.39Å; D549-G552 PolarHBondContact O-N 3.06Å; D549-G552 PolarHBondContact OD1-N 2.71Å; D549-M553 PolarHBondContact OD1-N 3.42Å
550E69Low57.7Low192 Ų192126.2 Ų126.290%0.89767%0.667SS**THydrogen-bonded Turntrans-72.3-11.7-179.7-61.5-170.7147.800112.5
551Q63.8Low58Low133 Ų133123.7 Ų123.762%0.62166%0.662SS**THydrogen-bonded Turntrans-86.7-20.7177.5-68.867.136.200112.4D549 M553D549-Q551 PolarHBondContact O-N 3.39Å; Q551-M553 VanDerWaalsContact C-N 3.29Å; Q551-M553 PolarHBondContact O-N 3.42Å
552G65.3Low58.9Low48 Ų48119.6 Ų119.650%0.49565%0.653SS.*  trans70.522.6176.800000113.9D549D549-G552 PolarHBondContact O-N 3.06Å; D549-G552 PolarHBondContact OD1-N 2.71Å
553M54.7Low60.8Low133 Ų133118.6 Ų118.666%0.65564%0.641SS**  trans-150.7121.7-174.4-69.4-173.3-63.500110.2D549 Q551D549-M553 PolarHBondContact OD1-N 3.42Å; Q551-M553 VanDerWaalsContact C-N 3.29Å; Q551-M553 PolarHBondContact O-N 3.42Å
554T51.8Low62.3Low101 Ų101117 Ų11762%0.6263%0.633SS**  cis-159.6135.2-1.523.40000107.3E556T554-E556 PolarHBondContact O-N 3.48Å
555W57.4Low63.7Low156 Ų156116.3 Ų116.359%0.59163%0.63SS**  trans-75.374.9161.1-75.492.3000109.4V546 V547 V557V546-W555 HydrophobicContact CG1-CD2 4.38Å; V546-W555 HydrophobicContact CG1-CG 4.21Å; V547-W555 PolarHBondContact O-NE1 2.83Å; W555-V557 PolarHBondContact O-N 3.06Å
556E54.8Low65.1Low120 Ų120112.4 Ų112.456%0.56162%0.615SS**  trans-62.5103.1158.2-67.7-168.9133.500107T554 Y558T554-E556 PolarHBondContact O-N 3.48Å; E556-Y558 HydrophobicContact CB-CD2 3.97Å; E556-Y558 HydrophobicContact CB-CE2 3.66Å; E556-Y558 VanDerWaalsContact O-CD2 3.26Å; E556-Y558 WeakPolarHBondContact O-CD2 3.33Å; E556-Y558 PolarHBondContact O-N 3.39Å; E556-Y558 WeakPolarHBondContact OE2-CE2 3.37Å; E556-Y558 PolarHBondContact OE2-OH 3.02Å; E556-Y558 VanDerWaalsContact OE2-OH 3.06Å
557V60.4Low66.6Low99 Ų99112.9 Ų112.960%0.661%0.614SS**  trans-76.779.3-179.1-174.10000108.7W555 G559 A560W555-V557 PolarHBondContact O-N 3.06Å; V557-G559 VanDerWaalsContact C-N 3.28Å; V557-G559 PolarHBondContact O-N 2.81Å; V557-A560 HydrophobicContact CB-CB 3.96Å; V557-A560 HydrophobicContact CG1-CB 3.61Å; V557-A560 PolarHBondContact O-N 2.95Å
558Y51.6Low68.5Low203 Ų203109.3 Ų109.380%0.79660%0.6SS**THydrogen-bonded Turntrans-58.788.1170.1-74.8-82.9000109.9E556E556-Y558 HydrophobicContact CB-CD2 3.97Å; E556-Y558 HydrophobicContact CB-CE2 3.66Å; E556-Y558 VanDerWaalsContact O-CD2 3.26Å; E556-Y558 WeakPolarHBondContact O-CD2 3.33Å; E556-Y558 PolarHBondContact O-N 3.39Å; E556-Y558 WeakPolarHBondContact OE2-CE2 3.37Å; E556-Y558 PolarHBondContact OE2-OH 3.02Å; E556-Y558 VanDerWaalsContact OE2-OH 3.06Å
559G54.4Low70Confident72 Ų72106.8 Ų106.874%0.74259%0.594SS**THydrogen-bonded Turntrans144.6-21.1-171.600000113.8V557 S561V557-G559 VanDerWaalsContact C-N 3.28Å; V557-G559 PolarHBondContact O-N 2.81Å; G559-S561 VanDerWaalsContact C-N 3.34Å
560A51.7Low71Confident65 Ų65105.9 Ų105.954%0.53760%0.598SS.*  trans-98.544.7170.900000111.6V557 V562V557-A560 HydrophobicContact CB-CB 3.96Å; V557-A560 HydrophobicContact CG1-CB 3.61Å; V557-A560 PolarHBondContact O-N 2.95Å; A560-V562 VanDerWaalsContact C-N 3.28Å; A560-V562 PolarHBondContact O-N 3.22Å
561S54.2Low72.3Confident107 Ų107101.1 Ų101.175%0.74858%0.577SS**  trans-64.493.7163.153.30000108.3G559 D563G559-S561 VanDerWaalsContact C-N 3.34Å; S561-D563 VanDerWaalsContact C-N 3.29Å; S561-D563 PolarHBondContact O-N 3.09Å
562V72.4Confident73.9Confident108 Ų10899.8 Ų99.866%0.65557%0.571SS**  trans-63.397.8167175.90000106.3A560 L567A560-V562 VanDerWaalsContact C-N 3.28Å; A560-V562 PolarHBondContact O-N 3.22Å; V562-L567 HydrophobicContact CG1-CB 4.11Å; V562-L567 HydrophobicContact CG1-CD2 4.27Å
563D86.6Confident75.4Confident64 Ų64100.6 Ų100.634%0.34257%0.569SS.*  trans-52.7121.6178.9159.736000109.4S561 E565 S566 L567S561-D563 VanDerWaalsContact C-N 3.29Å; S561-D563 PolarHBondContact O-N 3.09Å; D563-E565 PolarHBondContact O-N 3.2Å; D563-E565 WeakPolarHBondContact OD1-CB 3.41Å; D563-E565 PolarHBondContact OD1-N 3.4Å; D563-S566 PolarHBondContact O-N 3.32Å; D563-S566 WeakPolarHBondContact OD2-CB 3.44Å; D563-S566 PolarHBondContact OD2-N 2.88Å; D563-S566 PolarHBondContact OD2-OG 3.43Å; D563-L567 PolarHBondContact O-N 3.27Å
564P85.5Confident77.4Confident103 Ų10399.5 Ų99.567%0.66956%0.562SS**Hα-helixtrans-62.8-26.5-17826.2-35000112.4G568P564-G568 PolarHBondContact O-N 3.37Å
565E89.1Confident79.6Confident137 Ų13799.5 Ų99.564%0.6456%0.558SS**Hα-helixtrans-71.5-51.9175.6-58.3-168.7179.200110.6D563 L567 G568 F569D563-E565 PolarHBondContact O-N 3.2Å; D563-E565 WeakPolarHBondContact OD1-CB 3.41Å; D563-E565 PolarHBondContact OD1-N 3.4Å; E565-L567 VanDerWaalsContact C-N 3.28Å; E565-L567 PolarHBondContact O-N 3.48Å; E565-G568 CarbonylContact O-C 3.56Å; E565-G568 WeakPolarHBondContact O-CA 3.02Å; E565-G568 PolarHBondContact O-N 3.01Å; E565-F569 HydrophobicContact CB-CD2 4.47Å; E565-F569 HydrophobicContact CB-CE2 4.1Å; E565-F569 WeakPolarHBondContact O-CD2 3.4Å; E565-F569 PolarHBondContact O-N 2.83Å
566S88.8Confident81.6Confident70 Ų7096.5 Ų96.549%0.4955%0.551SS.*Hα-helixtrans-54.5-40.5172.8-68.40000112.9D563 A570D563-S566 PolarHBondContact O-N 3.32Å; D563-S566 WeakPolarHBondContact OD2-CB 3.44Å; D563-S566 PolarHBondContact OD2-N 2.88Å; D563-S566 PolarHBondContact OD2-OG 3.43Å; S566-A570 WeakPolarHBondContact O-CB 3.27Å; S566-A570 PolarHBondContact O-N 3.3Å
567L92Very high83.6Confident87 Ų8793.6 Ų93.646%0.45554%0.543SS..Hα-helixtrans-64.7-43.4173.4179.659.3000111.6V562 D563 E565 A570 I571V562-L567 HydrophobicContact CG1-CB 4.11Å; V562-L567 HydrophobicContact CG1-CD2 4.27Å; D563-L567 PolarHBondContact O-N 3.27Å; E565-L567 VanDerWaalsContact C-N 3.28Å; E565-L567 PolarHBondContact O-N 3.48Å; L567-A570 PolarHBondContact O-N 2.83Å; L567-I571 HydrophobicContact CD1-CD1 3.98Å; L567-I571 HydrophobicContact CD1-CG1 4.31Å; L567-I571 HydrophobicContact CG-CD1 3.95Å; L567-I571 VanDerWaalsContact O-CG1 3.29Å; L567-I571 WeakPolarHBondContact O-CG1 3.33Å; L567-I571 PolarHBondContact O-N 3.47Å
568G95.1Very high85.3Confident37 Ų3793.2 Ų93.238%0.38153%0.533SS..Hα-helixtrans-57.8-48.9173.800000112.8P564 E565 A570 I571 Q572P564-G568 PolarHBondContact O-N 3.37Å; E565-G568 CarbonylContact O-C 3.56Å; E565-G568 WeakPolarHBondContact O-CA 3.02Å; E565-G568 PolarHBondContact O-N 3.01Å; G568-A570 PolarHBondContact O-N 2.94Å; G568-I571 PolarHBondContact O-N 3.19Å; G568-Q572 WeakPolarHBondContact O-CB 3.33Å; G568-Q572 PolarHBondContact O-N 3.16Å
569F96.2Very high87.5Confident129 Ų12987.8 Ų87.857%0.56652%0.517SS*.Hα-helixtrans-62.9-40.2176.5-67.6-58000112.4E565 Q572 S573E565-F569 HydrophobicContact CB-CD2 4.47Å; E565-F569 HydrophobicContact CB-CE2 4.1Å; E565-F569 WeakPolarHBondContact O-CD2 3.4Å; E565-F569 PolarHBondContact O-N 2.83Å; F569-Q572 PolarHBondContact O-N 2.89Å; F569-S573 WeakPolarHBondContact O-CB 3.22Å; F569-S573 PolarHBondContact O-N 3.48Å
570A95.8Very high89.5Confident60 Ų6089.9 Ų89.950%0.49650%0.502SS..Hα-helixtrans-62.4-44.9175.900000112S566 L567 G568 H574S566-A570 WeakPolarHBondContact O-CB 3.27Å; S566-A570 PolarHBondContact O-N 3.3Å; L567-A570 PolarHBondContact O-N 2.83Å; G568-A570 PolarHBondContact O-N 2.94Å; A570-H574 WeakPolarHBondContact O-CB 3.25Å; A570-H574 PolarHBondContact O-N 3.15Å
571I95.9Very high91.6Very high91 Ų9189.4 Ų89.447%0.46749%0.489SS..Hα-helixtrans-63.4-48.3175.9-68.5165.9000110.6L567 G568 S573 H574 L575L567-I571 HydrophobicContact CD1-CD1 3.98Å; L567-I571 HydrophobicContact CD1-CG1 4.31Å; L567-I571 HydrophobicContact CG-CD1 3.95Å; L567-I571 VanDerWaalsContact O-CG1 3.29Å; L567-I571 WeakPolarHBondContact O-CG1 3.33Å; L567-I571 PolarHBondContact O-N 3.47Å; G568-I571 PolarHBondContact O-N 3.19Å; I571-S573 PolarHBondContact O-N 2.94Å; I571-H574 PolarHBondContact O-N 3.16Å; I571-L575 HydrophobicContact CG2-CD1 3.88Å; I571-L575 HydrophobicContact CG2-CG 4.43Å; I571-L575 WeakPolarHBondContact O-CG 3.25Å; I571-L575 PolarHBondContact O-N 2.93Å
572Q97.3Very high93.6Very high106 Ų10691 Ų9150%0.49549%0.485SS..Hα-helixtrans-60.7-45.2179.8-169.7-175.223.800111.7G568 F569 L575 Q576G568-Q572 WeakPolarHBondContact O-CB 3.33Å; G568-Q572 PolarHBondContact O-N 3.16Å; F569-Q572 PolarHBondContact O-N 2.89Å; Q572-L575 PolarHBondContact O-N 3.1Å; Q572-Q576 WeakPolarHBondContact O-CG 3.28Å; Q572-Q576 PolarHBondContact O-N 2.69Å
573S97.2Very high94.7Very high64 Ų6490.6 Ų90.645%0.44848%0.476SS..Hα-helixtrans-62.6-43.6176.6-176.30000111.7F569 I571 Q576 C577F569-S573 WeakPolarHBondContact O-CB 3.22Å; F569-S573 PolarHBondContact O-N 3.48Å; I571-S573 PolarHBondContact O-N 2.94Å; S573-Q576 PolarHBondContact O-N 2.9Å; S573-C577 WeakPolarHBondContact O-CB 3.46Å; S573-C577 PolarHBondContact O-N 3.15Å; S573-C577 PolarHBondContact O-SG 3.46Å
574H97.8Very high95.1Very high111 Ų11195.4 Ų95.451%0.51449%0.489SS..Hα-helixtrans-60-48.4175.6-173.499.3000111.7A570 I571 C577 K578A570-H574 WeakPolarHBondContact O-CB 3.25Å; A570-H574 PolarHBondContact O-N 3.15Å; I571-H574 PolarHBondContact O-N 3.16Å; H574-C577 WeakPolarHBondContact O-CB 3.36Å; H574-C577 PolarHBondContact O-N 3.39Å; H574-K578 WeakPolarHBondContact NE2-CG 3.34Å; H574-K578 WeakPolarHBondContact O-CG 3.33Å; H574-K578 PolarHBondContact O-N 3.24Å
575L98.4Very high95.5Very high100 Ų10095.8 Ų95.852%0.52448%0.48SS..Hα-helixtrans-62.6-45.9179.8-70.1172.1000111.7I571 Q572 C577 K578 I579I571-L575 HydrophobicContact CG2-CD1 3.88Å; I571-L575 HydrophobicContact CG2-CG 4.43Å; I571-L575 WeakPolarHBondContact O-CG 3.25Å; I571-L575 PolarHBondContact O-N 2.93Å; Q572-L575 PolarHBondContact O-N 3.1Å; L575-C577 VanDerWaalsContact C-N 3.27Å; L575-C577 PolarHBondContact O-N 3.41Å; L575-K578 PolarHBondContact O-N 2.65Å; L575-K578 VanDerWaalsContact O-N 3.14Å; L575-I579 WeakPolarHBondContact O-CG1 3.43Å; L575-I579 PolarHBondContact O-N 3.06Å
576Q97.5Very high95.6Very high94 Ų9494.4 Ų94.444%0.43948%0.477SS..Hα-helixtrans-61-35.5173.9-72.1-175.78.500112.7Q572 S573 R580Q572-Q576 WeakPolarHBondContact O-CG 3.28Å; Q572-Q576 PolarHBondContact O-N 2.69Å; S573-Q576 PolarHBondContact O-N 2.9Å; Q576-R580 WeakPolarHBondContact O-CB 3.5Å; Q576-R580 WeakPolarHBondContact O-CG 3.43Å; Q576-R580 PolarHBondContact O-N 3.21Å; Q576-R580 VanDerWaalsContact O-N 3.11Å; Q576-R580 PolarHBondContact O-NE 3.21Å
577C97.1Very high95.7Very high58 Ų5896.6 Ų96.639%0.39248%0.482SS..Hα-helixtrans-68.3-38.8174.7-70.50000111.6S573 H574 L575 R580 E581S573-C577 WeakPolarHBondContact O-CB 3.46Å; S573-C577 PolarHBondContact O-N 3.15Å; S573-C577 PolarHBondContact O-SG 3.46Å; H574-C577 WeakPolarHBondContact O-CB 3.36Å; H574-C577 PolarHBondContact O-N 3.39Å; L575-C577 VanDerWaalsContact C-N 3.27Å; L575-C577 PolarHBondContact O-N 3.41Å; C577-R580 PolarHBondContact O-N 3.3Å; C577-E581 WeakPolarHBondContact O-CB 3.49Å; C577-E581 PolarHBondContact O-N 3.44Å
578K97.4Very high95.6Very high91 Ų9194.5 Ų94.540%0.39648%0.477SS..Hα-helixtrans-67.3-39.9176.3-72-71150-1620112.9H574 L575 E581 Q582H574-K578 WeakPolarHBondContact NE2-CG 3.34Å; H574-K578 WeakPolarHBondContact O-CG 3.33Å; H574-K578 PolarHBondContact O-N 3.24Å; L575-K578 PolarHBondContact O-N 2.65Å; L575-K578 VanDerWaalsContact O-N 3.14Å; K578-E581 IonicContact NZ-OE2 3.2Å; K578-E581 PolarHBondContact NZ-OE2 3.35Å; K578-E581 WeakPolarHBondContact O-CB 3.34Å; K578-E581 PolarHBondContact O-N 2.88Å; K578-Q582 PolarHBondContact O-N 3.14Å
579I96.3Very high95.1Very high90 Ų9098.1 Ų98.146%0.46248%0.484SS..Hα-helixtrans-59.6-54.9172.5-67.8163.7000109.5L575 E581 Q582 E583L575-I579 WeakPolarHBondContact O-CG1 3.43Å; L575-I579 PolarHBondContact O-N 3.06Å; I579-E581 PolarHBondContact O-N 2.94Å; I579-E581 VanDerWaalsContact O-N 3.16Å; I579-Q582 PolarHBondContact O-N 2.96Å; I579-E583 HydrophobicContact CG2-CG 4.25Å; I579-E583 WeakPolarHBondContact O-CG 3.44Å; I579-E583 PolarHBondContact O-N 3.39Å
580R96.6Very high94.3Very high116 Ų11694.5 Ų94.544%0.43847%0.472SS..Hα-helixtrans-58.5-30177.1-74.2176.5-79.3162.4-11.7113.6Q576 C577 E583 R584Q576-R580 WeakPolarHBondContact O-CB 3.5Å; Q576-R580 WeakPolarHBondContact O-CG 3.43Å; Q576-R580 PolarHBondContact O-N 3.21Å; Q576-R580 VanDerWaalsContact O-N 3.11Å; Q576-R580 PolarHBondContact O-NE 3.21Å; C577-R580 PolarHBondContact O-N 3.3Å; R580-E583 WeakPolarHBondContact CA-OE2 3.26Å; R580-R584 WeakPolarHBondContact O-CB 3.43Å; R580-R584 PolarHBondContact O-N 3.45Å; R580-R584 VanDerWaalsContact O-N 3.15Å
581E96.3Very high93Very high55 Ų5595.1 Ų95.126%0.25747%0.473SS..Hα-helixtrans-71.4-44173.3-164.8-163.6150.700112.2C577 K578 I579 R584 K585C577-E581 WeakPolarHBondContact O-CB 3.49Å; C577-E581 PolarHBondContact O-N 3.44Å; K578-E581 IonicContact NZ-OE2 3.2Å; K578-E581 PolarHBondContact NZ-OE2 3.35Å; K578-E581 WeakPolarHBondContact O-CB 3.34Å; K578-E581 PolarHBondContact O-N 2.88Å; I579-E581 PolarHBondContact O-N 2.94Å; I579-E581 VanDerWaalsContact O-N 3.16Å; E581-R584 PolarHBondContact O-N 3.28Å; E581-K585 WeakPolarHBondContact O-CG 3.36Å; E581-K585 PolarHBondContact O-N 2.91Å; E581-K585 VanDerWaalsContact OE1-CE 3.25Å; E581-K585 WeakPolarHBondContact OE1-CE 3.43Å; E581-K585 IonicContact OE1-NZ 2.65Å; E581-K585 PolarHBondContact OE1-NZ 2.96Å
582Q96.1Very high91.4Very high140 Ų14098.2 Ų98.265%0.65448%0.483SS*.Hα-helixtrans-68.1-41.7176.3-74-172.3-1200112.1K578 I579 R584 K585 L586K578-Q582 PolarHBondContact O-N 3.14Å; I579-Q582 PolarHBondContact O-N 2.96Å; Q582-R584 PolarHBondContact O-N 3.15Å; Q582-K585 PolarHBondContact O-N 2.94Å; Q582-L586 WeakPolarHBondContact O-CB 3.37Å; Q582-L586 PolarHBondContact O-N 2.77Å
583E95.4Very high89.7Confident100 Ų100101.2 Ų101.247%0.46749%0.49SS..Hα-helixtrans-57-47.6172.6-71.3171.4157.900111.1I579 R580 K585 L586 I587I579-E583 HydrophobicContact CG2-CG 4.25Å; I579-E583 WeakPolarHBondContact O-CG 3.44Å; I579-E583 PolarHBondContact O-N 3.39Å; R580-E583 WeakPolarHBondContact CA-OE2 3.26Å; E583-K585 VanDerWaalsContact C-N 3.33Å; E583-K585 PolarHBondContact O-N 3.17Å; E583-L586 PolarHBondContact O-N 3.3Å; E583-I587 WeakPolarHBondContact O-CB 3.42Å; E583-I587 VanDerWaalsContact O-CG1 3.26Å; E583-I587 WeakPolarHBondContact O-CG1 3.33Å; E583-I587 PolarHBondContact O-N 3.13Å
584R95.1Very high87.8Confident164 Ų164105.9 Ų105.962%0.61950%0.503SS*.Hα-helixtrans-59.5-42.3176-169.5-174-59.3109.61.1111.9R580 E581 Q582 A588R580-R584 WeakPolarHBondContact O-CB 3.43Å; R580-R584 PolarHBondContact O-N 3.45Å; R580-R584 VanDerWaalsContact O-N 3.15Å; E581-R584 PolarHBondContact O-N 3.28Å; Q582-R584 PolarHBondContact O-N 3.15Å; R584-A588 WeakPolarHBondContact O-CB 3.47Å; R584-A588 PolarHBondContact O-N 3.47Å
585K94.2Very high85.7Confident112 Ų112105.2 Ų105.249%0.48751%0.51SS..Hα-helixtrans-65.5-40.1175.7-72.4173-174.21760111.9E581 Q582 E583 A588 Q589E581-K585 WeakPolarHBondContact O-CG 3.36Å; E581-K585 PolarHBondContact O-N 2.91Å; E581-K585 VanDerWaalsContact OE1-CE 3.25Å; E581-K585 WeakPolarHBondContact OE1-CE 3.43Å; E581-K585 IonicContact OE1-NZ 2.65Å; E581-K585 PolarHBondContact OE1-NZ 2.96Å; Q582-K585 PolarHBondContact O-N 2.94Å; E583-K585 VanDerWaalsContact C-N 3.33Å; E583-K585 PolarHBondContact O-N 3.17Å; K585-A588 PolarHBondContact O-N 2.95Å; K585-Q589 WeakPolarHBondContact O-CB 3.45Å; K585-Q589 WeakPolarHBondContact O-CG 3.47Å; K585-Q589 PolarHBondContact O-N 3.11Å
586L91.8Very high83.6Confident108 Ų108107.3 Ų107.357%0.56552%0.521SS*.Hα-helixtrans-68.2-42.7177.3-176.764.5000111.8Q582 E583 A588 Q589 T590Q582-L586 WeakPolarHBondContact O-CB 3.37Å; Q582-L586 PolarHBondContact O-N 2.77Å; E583-L586 PolarHBondContact O-N 3.3Å; L586-A588 VanDerWaalsContact C-N 3.34Å; L586-A588 PolarHBondContact O-N 3.33Å; L586-Q589 PolarHBondContact O-N 3.34Å; L586-T590 HydrophobicContact CD1-CG2 3.98Å; L586-T590 HydrophobicContact CG-CG2 4.3Å; L586-T590 WeakPolarHBondContact O-CB 3.5Å; L586-T590 VanDerWaalsContact O-CG2 3.27Å; L586-T590 WeakPolarHBondContact O-CG2 3.29Å; L586-T590 PolarHBondContact O-N 3.36Å; L586-T590 PolarHBondContact O-OG1 3.34Å
587I91.5Very high81.4Confident116 Ų116107.4 Ų107.460%0.59553%0.532SS*.Hα-helixtrans-61.7-43.8175.3-69.7164.7000110.1E583 T590 S591E583-I587 WeakPolarHBondContact O-CB 3.42Å; E583-I587 VanDerWaalsContact O-CG1 3.26Å; E583-I587 WeakPolarHBondContact O-CG1 3.33Å; E583-I587 PolarHBondContact O-N 3.13Å; I587-T590 PolarHBondContact O-OG1 2.97Å; I587-S591 VanDerWaalsContact O-CB 3.25Å; I587-S591 WeakPolarHBondContact O-CB 3.41Å; I587-S591 PolarHBondContact O-N 3.48Å
588A89.3Confident78.7Confident43 Ų43108.2 Ų108.236%0.35555%0.55SS..Hα-helixtrans-61.3-55173.800000112R584 K585 L586 T590 S591 F592R584-A588 WeakPolarHBondContact O-CB 3.47Å; R584-A588 PolarHBondContact O-N 3.47Å; K585-A588 PolarHBondContact O-N 2.95Å; L586-A588 VanDerWaalsContact C-N 3.34Å; L586-A588 PolarHBondContact O-N 3.33Å; A588-T590 VanDerWaalsContact C-N 3.33Å; A588-T590 PolarHBondContact O-N 3.06Å; A588-S591 WeakPolarHBondContact O-CB 3.37Å; A588-S591 PolarHBondContact O-N 3.29Å; A588-S591 VanDerWaalsContact O-N 3.16Å; A588-F592 HydrophobicContact CB-CE2 4.38Å; A588-F592 WeakPolarHBondContact O-CD2 3.36Å; A588-F592 PolarHBondContact O-N 3.16Å; A588-F592 VanDerWaalsContact O-N 3.13Å
589Q84.7Confident76.6Confident113 Ų113111 Ų11153%0.52857%0.574SS.*Hα-helixtrans-63-34.1-178.6-75-167.911.800114K585 L586K585-Q589 WeakPolarHBondContact O-CB 3.45Å; K585-Q589 WeakPolarHBondContact O-CG 3.47Å; K585-Q589 PolarHBondContact O-N 3.11Å; L586-Q589 PolarHBondContact O-N 3.34Å
590T78.5Confident74Confident53 Ų53114.1 Ų114.133%0.32559%0.591SS.*Hα-helixtrans-74.2-37174.955.30000111.2L586 I587 A588 F592 R593 K594L586-T590 HydrophobicContact CD1-CG2 3.98Å; L586-T590 HydrophobicContact CG-CG2 4.3Å; L586-T590 WeakPolarHBondContact O-CB 3.5Å; L586-T590 VanDerWaalsContact O-CG2 3.27Å; L586-T590 WeakPolarHBondContact O-CG2 3.29Å; L586-T590 PolarHBondContact O-N 3.36Å; L586-T590 PolarHBondContact O-OG1 3.34Å; I587-T590 PolarHBondContact O-OG1 2.97Å; A588-T590 VanDerWaalsContact C-N 3.33Å; A588-T590 PolarHBondContact O-N 3.06Å; T590-F592 VanDerWaalsContact C-N 3.31Å; T590-F592 PolarHBondContact O-N 2.83Å; T590-R593 PolarHBondContact O-N 3Å; T590-K594 WeakPolarHBondContact O-CB 3.26Å; T590-K594 VanDerWaalsContact O-CD 3.28Å; T590-K594 WeakPolarHBondContact O-CD 3.13Å; T590-K594 WeakPolarHBondContact O-CG 3.38Å; T590-K594 PolarHBondContact O-N 3.44Å
591S69.9Low71.1Confident73 Ų73112.8 Ų112.851%0.5160%0.6SS.*Hα-helixtrans-54.3-46.7172.6-167.50000111.7I587 A588 R593 K594I587-S591 VanDerWaalsContact O-CB 3.25Å; I587-S591 WeakPolarHBondContact O-CB 3.41Å; I587-S591 PolarHBondContact O-N 3.48Å; A588-S591 WeakPolarHBondContact O-CB 3.37Å; A588-S591 PolarHBondContact O-N 3.29Å; A588-S591 VanDerWaalsContact O-N 3.16Å; S591-R593 PolarHBondContact O-N 2.96Å; S591-K594 PolarHBondContact O-N 2.81Å
592F61.5Low68.8Low155 Ų155116.4 Ų116.468%0.6863%0.628SS**THydrogen-bonded Turntrans-65.6-15.3177-64.6-59.5000115.1A588 T590 S595A588-F592 HydrophobicContact CB-CE2 4.38Å; A588-F592 WeakPolarHBondContact O-CD2 3.36Å; A588-F592 PolarHBondContact O-N 3.16Å; A588-F592 VanDerWaalsContact O-N 3.13Å; T590-F592 VanDerWaalsContact C-N 3.31Å; T590-F592 PolarHBondContact O-N 2.83Å; F592-S595 PolarHBondContact O-OG 2.88Å
593R60.5Low66.5Low169 Ų169117.6 Ų117.664%0.63863%0.634SS**THydrogen-bonded Turntrans-103-26175.4-69.1-166.4-110.9-146.70.7114T590 S591 S595 I596T590-R593 PolarHBondContact O-N 3Å; S591-R593 PolarHBondContact O-N 2.96Å; R593-S595 PolarHBondContact O-N 3.34Å; R593-S595 VanDerWaalsContact O-N 3.09Å; R593-I596 PolarHBondContact O-N 2.88Å
594K58.2Low63.9Low163 Ų163124.3 Ų124.371%0.70966%0.655SS**THydrogen-bonded Turntrans-66-7.9178-74.5156.268.1176.70113.8T590 S591T590-K594 WeakPolarHBondContact O-CB 3.26Å; T590-K594 VanDerWaalsContact O-CD 3.28Å; T590-K594 WeakPolarHBondContact O-CD 3.13Å; T590-K594 WeakPolarHBondContact O-CG 3.38Å; T590-K594 PolarHBondContact O-N 3.44Å; S591-K594 PolarHBondContact O-N 2.81Å
595S53.6Low61.1Low97 Ų97120.2 Ų120.268%0.67866%0.664SS**THydrogen-bonded Turntrans-85.8-10.3174.652.60000115.1F592 R593F592-S595 PolarHBondContact O-OG 2.88Å; R593-S595 PolarHBondContact O-N 3.34Å; R593-S595 VanDerWaalsContact O-N 3.09Å
596I54.8Low59.2Low144 Ų144124.8 Ų124.874%0.73868%0.684SS**THydrogen-bonded Turntrans-118.8-21.3-168.3-39.7-175.6000113.6R593R593-I596 PolarHBondContact O-N 2.88Å
597S50.7Low57.4Low96 Ų96128.6 Ų128.667%0.67170%0.696SS**  trans-127.249.4-174.968.30000114.5V599S597-V599 PolarHBondContact O-N 2.88Å
598G41.4Very low55.4Low75 Ų75130.6 Ų130.677%0.77371%0.707SS**  trans-88.984.5168.900000111.7
599V51.9Low53.6Low148 Ų148138.5 Ų138.590%0.89773%0.734SS**  trans-10546.8179.1680000112.7S597S597-V599 PolarHBondContact O-N 2.88Å
600D42.8Very low52.1Low156 Ų156144.6 Ų144.683%0.83475%0.752SS**  trans-147155.7156.5-150.4-20.3000110.8
601S35.9Very low51Low89 Ų89151.6 Ų151.662%0.62277%0.773SS**  trans-152.395.5-164.4163.80000113.9Q603S601-Q603 PolarHBondContact O-N 2.92Å
602P47.6Very low50.6Low130 Ų130156.4 Ų156.484%0.84479%0.787SS**  trans-67.399.8159.6-20.134.3000111.1R604P602-R604 PolarHBondContact O-N 3.3Å
603Q47.8Very low50.6Low165 Ų165153.2 Ų153.277%0.77177%0.774SS**  trans-74.1104.6-174.5177.6-167.1-115.100113.3S601S601-Q603 PolarHBondContact O-N 2.92Å
604R41.2Very low51Low241 Ų241150.8 Ų150.891%0.90977%0.774SS**  trans-173.3123.9138.4-105159.1-160.4-97.23.6113.6P602P602-R604 PolarHBondContact O-N 3.3Å
605G36.3Very low51.5Low78 Ų78148.9 Ų148.980%0.80477%0.77SS**  trans-176.649178.300000113.7K607G605-K607 PolarHBondContact O-N 2.95Å; G605-K607 VanDerWaalsContact O-N 3.09Å
606K54.1Low52.3Low209 Ų209151.7 Ų151.791%0.90977%0.77SS**  trans-67106.7-176.9-76.3-174.6176.9-178.50111.8
607K52.5Low53.1Low188 Ų188152.6 Ų152.682%0.81776%0.764SS**  trans-173.7118.8132.2-99.3151-173.1179.60113.4G605G605-K607 PolarHBondContact O-N 2.95Å; G605-K607 VanDerWaalsContact O-N 3.09Å
608N50.8Low53.9Low157 Ų157150.1 Ų150.184%0.8475%0.747SS**  trans50.985.2138.2-53.22.8000119.5
609K50.1Low55.3Low210 Ų210151.6 Ų151.691%0.91374%0.735SS**  trans-137.7124.4134.4-148.5164.1-172.5174.40112.2R611K609-R611 PolarHBondContact O-N 2.84Å
610R53.7Low56.2Low241 Ų241148.9 Ų148.991%0.90972%0.715SS**  trans-39.1114.7-176.9-174.1174.2-178.3162.4-2.3112.5Q612R610-Q612 PolarHBondContact O-N 2.87Å
611R56.7Low57.4Low200 Ų200145.6 Ų145.676%0.75570%0.695SS**  trans-47.8101.6-178.6-167.8-168.4-157.2-173.317.8111.6K609 Q613K609-R611 PolarHBondContact O-N 2.84Å; R611-Q613 HydrophobicContact CG-CB 4.11Å; R611-Q613 PolarHBondContact O-N 3.08Å
612Q59.9Low58.6Low174 Ų174147 Ų14781%0.81370%0.695SS**  trans-67.183.1161.1-81.5-75.920.900107.6R610 N614R610-Q612 PolarHBondContact O-N 2.87Å; Q612-N614 PolarHBondContact O-N 3.3Å
613Q62.8Low59.5Low88 Ų88146.3 Ų146.341%0.41169%0.688SS.*  trans-79.388.3-175.3-176.5170.8-3900109.1R611 I615R611-Q613 HydrophobicContact CG-CB 4.11Å; R611-Q613 PolarHBondContact O-N 3.08Å; Q613-I615 PolarHBondContact O-N 3.03Å; Q613-I615 VanDerWaalsContact O-N 3.07Å
614N68.1Low60.3Low118 Ų118147.3 Ų147.363%0.63169%0.685SS**  trans-26.4109-178-71.6-10.8000112.9Q612 F616 R617 S618Q612-N614 PolarHBondContact O-N 3.3Å; N614-F616 VanDerWaalsContact C-N 3.25Å; N614-F616 PolarHBondContact O-N 3.4Å; N614-R617 HydrophobicContact CB-CB 4.11Å; N614-R617 WeakPolarHBondContact O-CA 3.39Å; N614-R617 WeakPolarHBondContact O-CB 3.48Å; N614-R617 PolarHBondContact O-N 2.89Å; N614-S618 PolarHBondContact O-N 2.82Å; N614-S618 VanDerWaalsContact O-N 3.13Å
615I69.2Low61.3Low122 Ų122145.3 Ų145.363%0.62668%0.677SS**Hα-helixtrans-58.6-40-168.1-59.8172.8000110.8Q613 R617 S618 M619Q613-I615 PolarHBondContact O-N 3.03Å; Q613-I615 VanDerWaalsContact O-N 3.07Å; I615-R617 VanDerWaalsContact C-N 3.34Å; I615-R617 PolarHBondContact O-N 3.23Å; I615-S618 WeakPolarHBondContact O-CA 3.35Å; I615-S618 WeakPolarHBondContact O-CB 3.2Å; I615-S618 PolarHBondContact O-N 3.45Å; I615-M619 HydrophobicContact CG2-CE 4.44Å; I615-M619 PolarHBondContact O-N 3.17Å
616F70.9Confident62.5Low157 Ų157145.6 Ų145.669%0.68967%0.665SS**Hα-helixtrans-55.6-42.1171.2-64.1-79.5000113.4N614 S618 M619 L620N614-F616 VanDerWaalsContact C-N 3.25Å; N614-F616 PolarHBondContact O-N 3.4Å; F616-S618 VanDerWaalsContact C-N 3.26Å; F616-S618 PolarHBondContact O-N 3.33Å; F616-M619 HydrophobicContact CD1-CE 4.33Å; F616-M619 PolarHBondContact O-N 3.08Å; F616-L620 VanDerWaalsContact O-CB 3.28Å; F616-L620 WeakPolarHBondContact O-CB 3.07Å; F616-L620 VanDerWaalsContact O-CG 3.26Å; F616-L620 WeakPolarHBondContact O-CG 3.44Å; F616-L620 PolarHBondContact O-N 3.3Å
617R71.1Confident62.8Low163 Ų163142.5 Ų142.562%0.61566%0.659SS**Hα-helixtrans-68.4-27175.1-157.8-172.6-169.8-81.37.3111.5N614 I615 Q621N614-R617 HydrophobicContact CB-CB 4.11Å; N614-R617 WeakPolarHBondContact O-CA 3.39Å; N614-R617 WeakPolarHBondContact O-CB 3.48Å; N614-R617 PolarHBondContact O-N 2.89Å; I615-R617 VanDerWaalsContact C-N 3.34Å; I615-R617 PolarHBondContact O-N 3.23Å; R617-Q621 VanDerWaalsContact O-CG 3.3Å; R617-Q621 WeakPolarHBondContact O-CG 3.46Å; R617-Q621 PolarHBondContact O-N 3.25Å; R617-Q621 PolarHBondContact O-NE2 3.46Å
618S66.2Low63.4Low43 Ų43138.8 Ų138.830%0.30166%0.655SS.*Hα-helixtrans-69.3-52.6172.7-150.60000111N614 I615 F616 L620 Q621 N622N614-S618 PolarHBondContact O-N 2.82Å; N614-S618 VanDerWaalsContact O-N 3.13Å; I615-S618 WeakPolarHBondContact O-CA 3.35Å; I615-S618 WeakPolarHBondContact O-CB 3.2Å; I615-S618 PolarHBondContact O-N 3.45Å; F616-S618 VanDerWaalsContact C-N 3.26Å; F616-S618 PolarHBondContact O-N 3.33Å; S618-L620 VanDerWaalsContact C-N 3.33Å; S618-L620 PolarHBondContact O-N 2.95Å; S618-Q621 WeakPolarHBondContact O-CB 3.38Å; S618-Q621 PolarHBondContact O-N 2.58Å; S618-N622 PolarHBondContact O-N 3.05Å
619M71.8Confident64Low106 Ų106136.4 Ų136.452%0.52265%0.649SS.*Hα-helixtrans-60.1-41.8178.5-62.6-163.3-72.300112I615 F616 Q621 N622 V623I615-M619 HydrophobicContact CG2-CE 4.44Å; I615-M619 PolarHBondContact O-N 3.17Å; F616-M619 HydrophobicContact CD1-CE 4.33Å; F616-M619 PolarHBondContact O-N 3.08Å; M619-Q621 PolarHBondContact O-N 3.06Å; M619-N622 PolarHBondContact O-N 3.3Å; M619-V623 PolarHBondContact O-N 3.22Å
620L71.8Confident64.8Low91 Ų91131.6 Ų131.648%0.47664%0.637SS.*Hα-helixtrans-72-8.2176.4-70.2172.1000115.1F616 S618 R624F616-L620 VanDerWaalsContact O-CB 3.28Å; F616-L620 WeakPolarHBondContact O-CB 3.07Å; F616-L620 VanDerWaalsContact O-CG 3.26Å; F616-L620 WeakPolarHBondContact O-CG 3.44Å; F616-L620 PolarHBondContact O-N 3.3Å; S618-L620 VanDerWaalsContact C-N 3.33Å; S618-L620 PolarHBondContact O-N 2.95Å; L620-R624 PolarHBondContact O-NH1 3.32Å
621Q67.1Low65.1Low88 Ų88130.9 Ų130.941%0.41164%0.635SS.*Hα-helixtrans-85.1-42.5168.2-82.7168.3101.600110.7R617 S618 M619 V623 R624 R625R617-Q621 VanDerWaalsContact O-CG 3.3Å; R617-Q621 WeakPolarHBondContact O-CG 3.46Å; R617-Q621 PolarHBondContact O-N 3.25Å; R617-Q621 PolarHBondContact O-NE2 3.46Å; S618-Q621 WeakPolarHBondContact O-CB 3.38Å; S618-Q621 PolarHBondContact O-N 2.58Å; M619-Q621 PolarHBondContact O-N 3.06Å; Q621-V623 VanDerWaalsContact C-N 3.31Å; Q621-V623 PolarHBondContact O-N 3.29Å; Q621-R624 PolarHBondContact O-N 3.46Å; Q621-R624 VanDerWaalsContact O-N 3.13Å; Q621-R625 PolarHBondContact O-N 3.12Å
622N61.7Low65.6Low117 Ų117126.1 Ų126.163%0.62663%0.63SS**Hα-helixtrans-61.7-37.7176.5-63.8-19.4000112.3S618 M619 R625S618-N622 PolarHBondContact O-N 3.05Å; M619-N622 PolarHBondContact O-N 3.3Å; N622-R625 CarbonylContact O-C 3.47Å
623V65.9Low65.8Low116 Ų116123 Ų12370%0.70362%0.624SS**THydrogen-bonded Turntrans-69.4-31.1175.7177.10000112.6M619 Q621M619-V623 PolarHBondContact O-N 3.22Å; Q621-V623 VanDerWaalsContact C-N 3.31Å; Q621-V623 PolarHBondContact O-N 3.29Å
624R65Low65.6Low186 Ų186125.1 Ų125.170%0.70265%0.646SS**THydrogen-bonded Turntrans-89.1-10.4179.8-74.9-167.2-176.286.9-7.1114.7L620 Q621L620-R624 PolarHBondContact O-NH1 3.32Å; Q621-R624 PolarHBondContact O-N 3.46Å; Q621-R624 VanDerWaalsContact O-N 3.13Å
625R61Low65.2Low199 Ų199124.5 Ų124.575%0.75165%0.651SS**  trans-139.785.4174-72.5-166.1176.6-165.3-1.1110.2Q621 N622Q621-R625 PolarHBondContact O-N 3.12Å; N622-R625 CarbonylContact O-C 3.47Å
626P62.8Low64.6Low84 Ų84123.2 Ų123.255%0.54566%0.658SS.*  trans-53147.7158.723.8-33.6000110.2C628P626-C628 PolarHBondContact O-N 3.4Å
627N59.7Low64Low145 Ų145122.4 Ų122.478%0.77567%0.666SS**G310 helixtrans-68.93.9-168.8-69.6-62000115.3C629 V630N627-C629 PolarHBondContact O-N 3.01Å; N627-C629 VanDerWaalsContact O-N 3.17Å; N627-V630 PolarHBondContact O-N 3.03Å
628C64.7Low63.3Low109 Ų109123.1 Ų123.174%0.73668%0.681SS**G310 helixtrans-68.3-6.1178.357.40000115P626P626-C628 PolarHBondContact O-N 3.4Å
629C64.4Low62.3Low107 Ų107132.7 Ų132.772%0.72373%0.729SS**G310 helixtrans-106.612.5179-59.90000114.1N627 R631N627-C629 PolarHBondContact O-N 3.01Å; N627-C629 VanDerWaalsContact O-N 3.17Å; C629-R631 PolarHBondContact O-N 2.75Å; C629-R631 VanDerWaalsContact O-N 3.15Å
630V65.6Low61.8Low109 Ų109134.1 Ų134.166%0.66174%0.739SS**  trans-77.895.4169.6-177.80000108.6N627 P632N627-V630 PolarHBondContact O-N 3.03Å; V630-P632 WeakPolarHBondContact O-CD 3.42Å
631R61.4Low61.3Low226 Ų226136.3 Ų136.385%0.85375%0.753SS**PPolyproline II helixtrans-59.9123172.8-176.1176.2-177.3160.41.7109.3C629C629-R631 PolarHBondContact O-N 2.75Å; C629-R631 VanDerWaalsContact O-N 3.15Å
632P65.6Low61Low100 Ų100139 Ų13965%0.64977%0.772SS**PPolyproline II helixtrans-60152.5176.4-25.135.2000112.4V630V630-P632 WeakPolarHBondContact O-CD 3.42Å
633P64.1Low60.9Low108 Ų108140.3 Ų140.370%0.70178%0.781SS**PPolyproline II helixtrans-58.8135.5171.3-22.233.8000111.4S635P633-S635 VanDerWaalsContact C-N 3.3Å; P633-S635 PolarHBondContact O-N 2.99Å
634P58.8Low60.6Low134 Ų134141.8 Ų141.887%0.8779%0.786SS**SBendtrans-80.274.4179.433.3-35.2000111.1
635S60.6Low60.3Low104 Ų104138.9 Ų138.973%0.72779%0.791SS**  trans-151.255.8179.764.40000112.5P633P633-S635 VanDerWaalsContact C-N 3.3Å; P633-S635 PolarHBondContact O-N 2.99Å
636A57.4Low60.3Low95 Ų95134.6 Ų134.679%0.78579%0.794SS**  trans-158.243.6177.200000113.1
637V57.1Low60.1Low140 Ų140138.5 Ų138.585%0.84881%0.813SS**  trans-144.270.2169.4-170.80000109.5
638L56.7Low60.1Low178 Ų178137.9 Ų137.993%0.93282%0.816SS**  trans-170.583.4153.7-88.8-159.3000107.9
639D45.4Very low59.7Low245 Ų245140.5 Ų140.5100%1.3182%0.824SS**  trans-155.20152.2-153.333.9000106.1

Retrieved 639 of 639 residues in 301.4 ms (Link to these results)