A0A5K4F5W9_SCHMA Loading...

HIT-type domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F5W9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 375 aa.

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(Predicted Aligned Error values between residue pairs)
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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
1M52.6Low60.4Low240 Ų240136.5 Ų136.5100%1.18282%0.823SS**  0131.10-68.6-168.3113.400106.5
2S53.1Low60.1Low108 Ų108136.8 Ų136.876%0.75582%0.816SS**  trans-105.1118.5-154.8-44.10000108.8
3D60.6Low60.2Low168 Ų168136.5 Ų136.590%0.89881%0.808SS**  trans-129.899.3164.8-73.9-42.8000108.4
4S55.4Low60Low110 Ų110139.5 Ų139.577%0.76981%0.806SS**  trans-83.4117.2168-54.90000107.5
5D65.8Low59.6Low160 Ų160135.2 Ų135.286%0.85680%0.804SS**  trans-115.4126.9166.8-159.92.4000110.1
6S58.2Low59.6Low90 Ų90132.3 Ų132.363%0.62979%0.792SS**  trans-109.797.6-156.6-53.40000107.7L8S6-L8 PolarHBondContact O-N 3.08Å; S6-L8 VanDerWaalsContact O-N 3.17Å
7T70.1Confident59.4Low140 Ų140138.6 Ų138.686%0.85980%0.799SS**  trans-76.9100.6170.742.80000109.2
8L67.1Low59.1Low159 Ų159141.9 Ų141.983%0.83280%0.803SS**PPolyproline II helixtrans-60.6141.6173-69.7171.1000110.7S6S6-L8 PolarHBondContact O-N 3.08Å; S6-L8 VanDerWaalsContact O-N 3.17Å
9P63.2Low59.1Low113 Ų113142.4 Ų142.473%0.73480%0.802SS**PPolyproline II helixtrans-72134.5178.130.4-32.2000109.8T11P9-T11 PolarHBondContact O-N 2.91Å
10A61.6Low58.8Low104 Ų104143.8 Ų143.886%0.8680%0.802SS**PPolyproline II helixtrans-57.3120.317500000110.4D12A10-D12 PolarHBondContact O-N 2.99Å
11T57.1Low59Low110 Ų110146 Ų14668%0.67580%0.803SS**PPolyproline II helixtrans-71.7119.6171.550.80000109.2P9 D13P9-T11 PolarHBondContact O-N 2.91Å; T11-D13 PolarHBondContact O-N 3.28Å; T11-D13 PolarHBondContact OG1-OD2 3.31Å
12D56.2Low59.2Low139 Ų139141.7 Ų141.774%0.74379%0.785SS**  trans-73.777.9171.3-177.113.5000109.2A10 F14A10-D12 PolarHBondContact O-N 2.99Å; D12-F14 VanDerWaalsContact C-N 3.27Å; D12-F14 PolarHBondContact O-N 3.01Å; D12-F14 WeakPolarHBondContact OD1-CD2 3.22Å
13D61.3Low59.7Low134 Ų134143.4 Ų143.472%0.71778%0.782SS**  trans-90.238.9178.4-75.9-45.9000112.4T11 G15T11-D13 PolarHBondContact O-N 3.28Å; T11-D13 PolarHBondContact OG1-OD2 3.31Å; D13-G15 PolarHBondContact O-N 3.3Å
14F58.2Low59.8Low178 Ų178146.5 Ų146.578%0.78178%0.782SS**  trans-7957.2165-75.3-77.5000111.4D12 S16D12-F14 VanDerWaalsContact C-N 3.27Å; D12-F14 PolarHBondContact O-N 3.01Å; D12-F14 WeakPolarHBondContact OD1-CD2 3.22Å; F14-S16 PolarHBondContact O-N 3Å
15G53.4Low59.7Low75 Ų75147 Ų14777%0.77379%0.786SS**  trans-70.854.3162.500000111.6D13 R17D13-G15 PolarHBondContact O-N 3.3Å; G15-R17 PolarHBondContact O-N 3.11Å
16S59.1Low59.4Low88 Ų88148.7 Ų148.762%0.61579%0.786SS**  trans-93.493.2175.7-71.50000109.7F14 F18F14-S16 PolarHBondContact O-N 3Å; S16-F18 PolarHBondContact O-N 2.73Å
17R57.3Low59.6Low241 Ų241152.6 Ų152.691%0.90979%0.794SS**  trans-20.3100.7156.2-73.5170.9154.2138.2-6.4112.1G15 L19G15-R17 PolarHBondContact O-N 3.11Å; R17-L19 PolarHBondContact O-N 3.14Å
18F53.9Low58.4Low197 Ų197154.1 Ų154.186%0.86479%0.791SS**  trans-62.3104.9159.9-82.1-91.6000106.8S16 E20S16-F18 PolarHBondContact O-N 2.73Å; F18-E20 PolarHBondContact O-N 3.13Å
19L59Low57.6Low151 Ų151152.5 Ų152.579%0.79179%0.788SS**  trans-61.6104.1162.8-99.7149.6000106.9R17 F21R17-L19 PolarHBondContact O-N 3.14Å; L19-F21 PolarHBondContact O-N 3.08Å; L19-F21 VanDerWaalsContact O-N 3.17Å
20E52.3Low57.1Low171 Ų171153.4 Ų153.480%0.79979%0.787SS**  trans-53.4113.7164.4-70.4174.2152.500107.6F18 D22F18-E20 PolarHBondContact O-N 3.13Å; E20-D22 PolarHBondContact O-N 3.34Å
21F63.7Low56.2Low189 Ų189155.7 Ų155.783%0.82979%0.785SS**  trans-77.5112.5161.8-92-92000106.3L19 E23L19-F21 PolarHBondContact O-N 3.08Å; L19-F21 VanDerWaalsContact O-N 3.17Å; F21-E23 PolarHBondContact O-N 3.23Å
22D57.1Low55.8Low150 Ų150157.1 Ų157.180%0.80279%0.794SS**PPolyproline II helixtrans-53.8119.1173-69.5-41.2000110.1E20 Y24E20-D22 PolarHBondContact O-N 3.34Å; D22-Y24 PolarHBondContact O-N 3.5Å
23E63.6Low55.4Low145 Ų145159.2 Ų159.268%0.67880%0.799SS**PPolyproline II helixtrans-70.9121.7175.7-79.1170.2171.400109.2F21 S25 R162F21-E23 PolarHBondContact O-N 3.23Å; E23-S25 PolarHBondContact O-N 3.44Å; E23-R162 IonicContact OE1-CZ 3.85Å; E23-R162 IonicContact OE1-NH2 3.44Å; E23-R162 PolarHBondContact OE1-NH2 3.28Å
24Y61.7Low54.8Low233 Ų233157.9 Ų157.991%0.91480%0.8SS**PPolyproline II helixtrans-54.8123.6168.1-115.3-102.7000110.1D22 F26D22-Y24 PolarHBondContact O-N 3.5Å; Y24-F26 PolarHBondContact O-N 3.47Å
25S54.4Low54Low120 Ų120157.7 Ų157.784%0.83981%0.807SS**PPolyproline II helixtrans-58.5116.5169.5-60.20000110.3E23E23-S25 PolarHBondContact O-N 3.44Å
26F58.7Low53.8Low195 Ų195158.8 Ų158.886%0.85581%0.809SS**  trans-104.6121.9161.2-169.2-98.9000107.6Y24Y24-F26 PolarHBondContact O-N 3.47Å
27E62.7Low52.8Low172 Ų172164.5 Ų164.580%0.80482%0.823SS**  trans-61.6140.2-179.4-69.3-175.315900111.5T29E27-T29 PolarHBondContact O-N 2.97Å
28Q44.4Very low52.1Low172 Ų172159.2 Ų159.280%0.80482%0.823SS**  trans-69.3115.8-180-175.9170.210.100109.5
29T50Low51.7Low126 Ų126153.9 Ų153.977%0.77382%0.816SS**  trans-111.2119.8159.354.40000108.2E27E27-T29 PolarHBondContact O-N 2.97Å
30D52.7Low50.9Low132 Ų132156.2 Ų156.271%0.70682%0.82SS**  trans-58.7147.8-172.9-66.7-49000113.9T32D30-T32 PolarHBondContact O-N 3.12Å
31N43.9Very low50.4Low152 Ų152156.1 Ų156.181%0.81382%0.824SS**  trans-65.6122.3175.2-59.1-52.6000110.4
32T48.3Very low49.6Very low140 Ų140152.9 Ų152.986%0.85982%0.822SS**  trans-118.7101.915143.50000108.3D30D30-T32 PolarHBondContact O-N 3.12Å
33E47.1Very low49.2Very low182 Ų182154.4 Ų154.485%0.8582%0.824SS**  trans-62.9135.1166.2-61.9172.8152.700109.9
34S49.4Very low47.8Very low106 Ų106157.6 Ų157.674%0.74184%0.836SS**  trans-172.8100.9145.617.30000109.8A36S34-A36 PolarHBondContact O-N 3.06Å
35D41.2Very low46.9Very low174 Ų174157.5 Ų157.593%0.9383%0.834SS**  trans2789.6130.7-64.1-27.2000117.7
36A48.5Very low46Very low99 Ų99157.5 Ų157.582%0.81883%0.834SS**  trans-158.151.9159.100000111.7S34S34-A36 PolarHBondContact O-N 3.06Å
37F38.8Very low45.4Very low207 Ų207154.8 Ų154.891%0.90883%0.833SS**  trans-126.168.3175.7-146.8-87.5000110.9
38S43.7Very low44.3Very low130 Ų130150.4 Ų150.491%0.90983%0.827SS**SBendtrans-158.119.8172.5-78.80000115.5
39A44.2Very low44Very low86 Ų86151.2 Ų151.271%0.71183%0.83SS**SBendtrans-136.836-171.700000115.9
40F42Very low43.5Very low200 Ų200154.4 Ų154.488%0.87784%0.836SS**  trans-151.773.5167.8-91.6-78.7000111.9
41L42Very low42.8Very low169 Ų169158 Ų15889%0.88585%0.845SS**  trans-121.1105159.7-74.2178000109
42P46.9Very low42.5Very low120 Ų120157 Ų15778%0.77985%0.845SS**PPolyproline II helixtrans-76.8121.6161.5-11.828.7000109.4
43Q49.2Very low41.8Very low182 Ų182155.7 Ų155.785%0.8584%0.841SS**PPolyproline II helixtrans-53139.2176.6-72.9161.1-26.300113R45Q43-R45 PolarHBondContact O-N 3.4Å
44F35Very low41.4Very low212 Ų212156.5 Ų156.593%0.9384%0.842SS**PPolyproline II helixtrans-48.5125.1162.3-69.5-91.9000111.4
45R41.7Very low40.8Very low232 Ų232158.6 Ų158.688%0.87584%0.844SS**  trans-131.6111.5152.4-83.2-168.7176.3-173.4-0109.4Q43Q43-R45 PolarHBondContact O-N 3.4Å
46S36.2Very low40.5Very low119 Ų119157 Ų15783%0.83284%0.836SS**  trans-71.8120.2163.251.30000109.1
47V44.8Very low40.1Very low138 Ų138160 Ų16084%0.83683%0.833SS**  trans-127.6132.9163.1-1790000108.4
48A40.3Very low39.8Very low81 Ų81158.5 Ų158.567%0.66983%0.829SS**  trans-66.8149.4-168.200000114.3
49E38.3Very low39.5Very low188 Ų188158.9 Ų158.988%0.87982%0.82SS**  trans28.5108136.7-57.9-175.4155.300118.3
50Q40.5Very low39.2Very low193 Ų193162.6 Ų162.690%0.90283%0.827SS**  trans-144.9106.4140.9-128.4170.69.100110.9
51K36.4Very low39Very low207 Ų207157.3 Ų157.390%0.982%0.821SS**  trans-69.8124.5165.6-74.6172.4175.7173.70108.4
52V37.5Very low38.5Very low131 Ų131155.2 Ų155.279%0.79482%0.815SS**  trans-136.9111.4151.8-173.50000107.6
53S33.8Very low38.4Very low113 Ų113155.8 Ų155.879%0.7982%0.816SS**  trans-82.3129.3166.8500000108.9
54F39.4Very low37.7Very low199 Ų199152.8 Ų152.887%0.87382%0.816SS**  trans-146.1121.3157-155.3-103.9000109.9
55L37Very low37.8Very low150 Ų150146.5 Ų146.579%0.78581%0.81SS**  trans-61.6148.8170.2-71.8153.6000109.4
56D35.3Very low37.6Very low140 Ų140146.2 Ų146.275%0.74981%0.809SS**  -175.7170.8101-133.2-21.9000112.4
57E39.2Very low37.7Very low164 Ų164149.4 Ų149.477%0.76681%0.808SS**  trans83.488.3166.7-59.3-163.3117.600115.5
58Q33.5Very low37.7Very low175 Ų175149 Ų14982%0.81880%0.801SS**  34.7100.473.7-93.1-171.564.800111.9
59L36Very low37.4Very low138 Ų138155.6 Ų155.672%0.72381%0.81SS**  trans167.1127.6132.6-90.4156.6000110.9
60L38.1Very low37.5Very low163 Ų163153.3 Ų153.385%0.85380%0.803SS**  trans75.4134.1152.8-52.1149000115.6
61A37.1Very low37.1Very low90 Ų90149.6 Ų149.674%0.74480%0.798SS**  cis-157.2146.68.400000110.6
62T32.8Very low37.3Very low124 Ų124146.8 Ų146.876%0.76179%0.792SS**  trans-41145.6159.541.80000115.9
63T43.7Very low37.3Very low132 Ų132144.9 Ų144.981%0.8179%0.79SS**  trans148.583142.6510000110.2
64S34.9Very low37.5Very low120 Ų120148 Ų14884%0.83980%0.797SS**  52.6108.498.382.10000116
65G37Very low37.9Very low79 Ų79147.7 Ų147.781%0.81480%0.798SS**  trans-162.583170.800000112.4
66R37.5Very low37.9Very low227 Ų227147.8 Ų147.886%0.85780%0.799SS**  trans-54.1139.3-175.9-74.6168.1163.2157.8-5.9114.5
67K39.3Very low38.3Very low185 Ų185148.4 Ų148.480%0.80480%0.803SS**  trans-126103.3151.5-73.7180-176.5168.30108.7
68N44.6Very low38.6Very low129 Ų129148.2 Ų148.269%0.6980%0.802SS**  trans-78.8122.5173.1-69.2-20.4000109.1
69Y34.5Very low38.9Very low221 Ų221146.3 Ų146.387%0.86780%0.797SS**  trans-99.4113.4155.1-80.7-87.9000106.8
70I39.1Very low39.5Very low140 Ų140145.5 Ų145.572%0.71880%0.803SS**  trans-91.4112.5170.5-65.9172.3000106.6L72I70-L72 HydrophobicContact CG2-CD1 3.96Å; I70-L72 HydrophobicContact CG2-CG 3.91Å
71S32.6Very low39.6Very low114 Ų114145.1 Ų145.180%0.79780%0.802SS**  trans-92.9120.7159-69.90000107.5
72L39.8Very low39.7Very low148 Ų148147.4 Ų147.478%0.77581%0.807SS**  trans-143.6103.7161.2-67.4174.7000104.8I70I70-L72 HydrophobicContact CG2-CD1 3.96Å; I70-L72 HydrophobicContact CG2-CG 3.91Å
73A38.8Very low40.2Very low91 Ų91147.8 Ų147.875%0.75281%0.809SS**  63.5103.183.600000110.4E75A73-E75 PolarHBondContact O-N 3.1Å
74L36.6Very low40.2Very low179 Ų179145.3 Ų145.394%0.93781%0.81SS**  trans-63.3115.3167.8-78.3152.7000108.7
75E47.8Very low40.5Very low192 Ų192147.2 Ų147.290%0.89781%0.811SS**  trans-140.5134.6151.3-67.9-168.1158.900108.1A73A73-E75 PolarHBondContact O-N 3.1Å
76D38Very low40.9Very low152 Ų152152.1 Ų152.181%0.81382%0.817SS**  trans-58.9147.1178.3-64.2-64.6000111.9
77D43.9Very low41.2Very low153 Ų153150.3 Ų150.382%0.81882%0.816SS**  trans173.4116.9130.4-86.4-30.2000112.9
78Q44.1Very low41.4Very low160 Ų160148.4 Ų148.475%0.74882%0.82SS**  trans39.2123.5135-63.8-164.4-15.400122.7
79D40.7Very low41.3Very low135 Ų135146.2 Ų146.272%0.72283%0.827SS**  60.3115.6127.3-53.9-24.3000120.1
80S47.7Very low41.6Very low121 Ų121139.6 Ų139.685%0.84683%0.826SS**  172.4136.3102.544.50000113.2
81N41Very low42.3Very low155 Ų155138.7 Ų138.783%0.82983%0.832SS**  trans-52.8146.5174.2-67.8-47.3000113.6
82T39.7Very low43.1Very low139 Ų139144.5 Ų144.585%0.85384%0.838SS**  trans-149.9128.8134.5-63.20000110.8
83T43.2Very low43.6Very low132 Ų132140.8 Ų140.881%0.8184%0.836SS**  trans-60.1153.9-178.547.10000116.2
84G43.6Very low44Very low80 Ų80143.7 Ų143.783%0.82584%0.839SS**  trans-174.583.1164.700000113.8
85N41.8Very low44.7Very low160 Ų160142.3 Ų142.386%0.85683%0.832SS**  trans-51.3138168-96.2-26.6000112.3
86L45.1Very low45.2Very low182 Ų182137.4 Ų137.495%0.95382%0.819SS**  trans-145.9139.5141.4-132.179.1000110
87K43Very low46.2Very low188 Ų188138.8 Ų138.882%0.81782%0.821SS**  trans-131.3124.8-153.9178.9-172.2-168.8-1790106.4
88T44.6Very low46.7Very low146 Ų146139.8 Ų139.890%0.89683%0.826SS**  trans165.2129.8159.4410000107.1
89G42.3Very low47.3Very low82 Ų82139 Ų13985%0.84583%0.827SS**  cis129.112119.700000107.9
90G41.2Very low48.2Very low82 Ų82142.1 Ų142.185%0.84584%0.838SS**  trans111139.2170.900000113.5
91S52.8Low49.1Very low121 Ų121142.6 Ų142.685%0.84684%0.835SS**  cis-166.2141.3-10.3-178.80000105
92Y49.3Very low50.5Low236 Ų236142.9 Ų142.993%0.92583%0.831SS**  trans-82.9153.8-179.4-78-96.1000112.7
93G49.9Very low51.6Low70 Ų70145.8 Ų145.872%0.72283%0.828SS**  trans176.694.6162.300000104.9
94D48.4Very low52.8Low153 Ų153148.8 Ų148.882%0.81883%0.825SS**  5390.664.8-15528.4000112.1
95D51.6Low54Low149 Ų149149.9 Ų149.980%0.79782%0.817SS**  trans-170.8104.8141.4-101.6-26.4000110
96S57.4Low55.4Low89 Ų89146.7 Ų146.762%0.62281%0.805SS**  61123.9123.178.50000121.7
97E58.8Low56.9Low182 Ų182146.8 Ų146.885%0.8580%0.798SS**  trans87.293.5150.4-46.4-163.3171.200118D99E97-D99 PolarHBondContact O-N 3.3Å
98D54.4Low58.5Low174 Ų174145.8 Ų145.893%0.9380%0.801SS**  trans-66.899.9163.6-72.9-49.8000110.5
99D57.2Low60.2Low142 Ų142142.2 Ų142.276%0.75978%0.776SS**  trans-80.9132.6158.1-85-42.8000109.6E97 V101E97-D99 PolarHBondContact O-N 3.3Å; D99-V101 WeakPolarHBondContact O-CG2 3.44Å; D99-V101 PolarHBondContact O-N 3.08Å
100E60.2Low62.1Low202 Ų202142.9 Ų142.994%0.94476%0.763SS**  trans-56.994.1171.1-80-169.6143.200110.8E102E100-E102 PolarHBondContact O-N 3.43Å
101V65.4Low63.9Low131 Ų131142.7 Ų142.779%0.79475%0.754SS**  trans-82.1101.3174.4-168.40000109.5D99 Y103D99-V101 WeakPolarHBondContact O-CG2 3.44Å; D99-V101 PolarHBondContact O-N 3.08Å; V101-Y103 PolarHBondContact O-N 3.3Å; V101-Y103 VanDerWaalsContact O-N 3.1Å
102E70.4Confident65.4Low160 Ų160146.1 Ų146.175%0.74875%0.748SS**  trans-49.9112.1167.1-173.4-176.2177.300110.3E100 R104E100-E102 PolarHBondContact O-N 3.43Å; E102-R104 PolarHBondContact O-N 3.21Å
103Y63.8Low67.3Low200 Ų200139.2 Ų139.278%0.78472%0.724SS**  trans-7095-178.5-166.4-91.2000110.5V101V101-Y103 PolarHBondContact O-N 3.3Å; V101-Y103 VanDerWaalsContact O-N 3.1Å
104R67.6Low68.8Low196 Ų196140.5 Ų140.574%0.7471%0.714SS**PPolyproline II helixtrans-76.5125.9167.3-82.8-168.8174.4-174.5-0.7109.9E102E102-R104 PolarHBondContact O-N 3.21Å
105P68.3Low70.4Confident102 Ų102136 Ų13666%0.66270%0.695SS**PPolyproline II helixtrans-57.7135.7175.923.9-32.4000109.7K107P105-K107 PolarHBondContact O-N 3.17Å
106P71.3Confident72Confident93 Ų93133.3 Ų133.360%0.60468%0.679SS**PPolyproline II helixtrans-58.3125.717922.5-31.5000108.9L108P106-L108 PolarHBondContact O-N 3.45Å
107K76.2Confident73.3Confident185 Ų185134 Ų13480%0.80467%0.673SS**  trans-58.2111174.4-71.7179.4179.3174.90107.5P105 L109P105-K107 PolarHBondContact O-N 3.17Å; K107-L109 VanDerWaalsContact C-N 3.31Å; K107-L109 PolarHBondContact O-N 3.02Å
108L77.1Confident74.3Confident167 Ų167128.5 Ų128.587%0.87465%0.654SS**  trans-66.294.6173.6-66.1176000108P106P106-L108 PolarHBondContact O-N 3.45Å
109L79.7Confident75.2Confident71 Ų71126.4 Ų126.437%0.37264%0.639SS.*  trans-74.7137.8173.8-65.9179.2000109K107 Q113 I114K107-L109 VanDerWaalsContact C-N 3.31Å; K107-L109 PolarHBondContact O-N 3.02Å; L109-Q113 VanDerWaalsContact CA-OE1 3.26Å; L109-Q113 HydrophobicContact CB-CB 3.96Å; L109-Q113 HydrophobicContact CD2-CB 4.28Å; L109-I114 HydrophobicContact CB-CG1 3.88Å
110T82.8Confident75.9Confident95 Ų95129.8 Ų129.858%0.58364%0.641SS**  trans-64.4150.6173.4-27.90000109.3R112 Q113 I114T110-R112 PolarHBondContact O-N 3.03Å; T110-Q113 WeakPolarHBondContact O-CA 3.38Å; T110-Q113 WeakPolarHBondContact O-CB 3.49Å; T110-Q113 PolarHBondContact O-N 3.38Å; T110-I114 PolarHBondContact O-N 2.92Å
111A79.4Confident76.2Confident79 Ų79126.3 Ų126.365%0.65363%0.628SS**Hα-helixtrans-49.9-33.7-179.600000113.8I114 S115A111-I114 PolarHBondContact O-N 3.42Å; A111-S115 WeakPolarHBondContact O-CB 3.31Å; A111-S115 PolarHBondContact O-N 3.2Å
112R85Confident75.8Confident192 Ų192123.7 Ų123.773%0.72562%0.62SS**Hα-helixtrans-63.2-42173.6-171.8179.4-178.6-154.70.9113.3T110 S115 L116T110-R112 PolarHBondContact O-N 3.03Å; R112-S115 PolarHBondContact O-N 3.44Å; R112-L116 HydrophobicContact CG-CD1 4.49Å; R112-L116 WeakPolarHBondContact O-CG 3.34Å; R112-L116 PolarHBondContact O-N 3.48Å
113Q88.5Confident75.1Confident91 Ų91121.1 Ų121.143%0.42562%0.615SS.*Hα-helixtrans-67.3-41.3178.4-71.2172.2-23.200111L109 T110 S115 L116 Q117L109-Q113 VanDerWaalsContact CA-OE1 3.26Å; L109-Q113 HydrophobicContact CB-CB 3.96Å; L109-Q113 HydrophobicContact CD2-CB 4.28Å; T110-Q113 WeakPolarHBondContact O-CA 3.38Å; T110-Q113 WeakPolarHBondContact O-CB 3.49Å; T110-Q113 PolarHBondContact O-N 3.38Å; Q113-S115 VanDerWaalsContact C-N 3.34Å; Q113-S115 PolarHBondContact O-N 3.01Å; Q113-L116 PolarHBondContact O-N 3Å; Q113-Q117 WeakPolarHBondContact O-CB 3.4Å; Q113-Q117 PolarHBondContact O-N 2.86Å
114I81.5Confident74.5Confident97 Ų97117 Ų11750%0.49761%0.613SS.*Hα-helixtrans-60.8-45174.3-59.6174.4000110.3L109 T110 A111 L116 Q117 S118L109-I114 HydrophobicContact CB-CG1 3.88Å; T110-I114 PolarHBondContact O-N 2.92Å; A111-I114 PolarHBondContact O-N 3.42Å; I114-L116 PolarHBondContact O-N 3.24Å; I114-Q117 PolarHBondContact O-N 3.43Å; I114-S118 PolarHBondContact O-N 3.35Å; I114-S118 PolarHBondContact O-OG 3.14Å
115S82.2Confident73.6Confident60 Ų60114.3 Ų114.342%0.4262%0.618SS.*Hα-helixtrans-65.3-34.9178.9-171.20000113.3A111 R112 Q113 S118 Q119A111-S115 WeakPolarHBondContact O-CB 3.31Å; A111-S115 PolarHBondContact O-N 3.2Å; R112-S115 PolarHBondContact O-N 3.44Å; Q113-S115 VanDerWaalsContact C-N 3.34Å; Q113-S115 PolarHBondContact O-N 3.01Å; S115-S118 PolarHBondContact O-OG 3.42Å; S115-Q119 WeakPolarHBondContact O-CG 3.39Å; S115-Q119 PolarHBondContact O-N 3.44Å
116L85.9Confident72.6Confident91 Ų91116.4 Ų116.448%0.47662%0.624SS.*Hα-helixtrans-71.7-36174.1-75.8170.2000111.9R112 Q113 I114 R120R112-L116 HydrophobicContact CG-CD1 4.49Å; R112-L116 WeakPolarHBondContact O-CG 3.34Å; R112-L116 PolarHBondContact O-N 3.48Å; Q113-L116 PolarHBondContact O-N 3Å; I114-L116 PolarHBondContact O-N 3.24Å; L116-R120 PolarHBondContact O-N 3.37Å
117Q83.7Confident71.7Confident104 Ų104118.8 Ų118.849%0.48663%0.63SS.*Hα-helixtrans-69.6-39177.3-170.2176.2-200111.8Q113 I114 Q119 R120 I121Q113-Q117 WeakPolarHBondContact O-CB 3.4Å; Q113-Q117 PolarHBondContact O-N 2.86Å; I114-Q117 PolarHBondContact O-N 3.43Å; Q117-Q119 VanDerWaalsContact C-N 3.31Å; Q117-Q119 PolarHBondContact O-N 3.41Å; Q117-R120 PolarHBondContact O-N 3.44Å; Q117-R120 VanDerWaalsContact O-N 3.14Å; Q117-I121 PolarHBondContact O-N 3.37Å
118S78.8Confident70.3Confident66 Ų66118.7 Ų118.746%0.46263%0.63SS.*Hα-helixtrans-65.2-34176.665.50000112.6I114 S115 R120 I121 A122I114-S118 PolarHBondContact O-N 3.35Å; I114-S118 PolarHBondContact O-OG 3.14Å; S115-S118 PolarHBondContact O-OG 3.42Å; S118-R120 VanDerWaalsContact C-N 3.27Å; S118-R120 PolarHBondContact O-N 3.47Å; S118-I121 PolarHBondContact O-N 2.91Å; S118-A122 PolarHBondContact O-N 2.99Å
119Q74.9Confident68.8Low131 Ų131118 Ų11861%0.61263%0.627SS**Hα-helixtrans-64.7-28.2173.5-73.2177.69.400113.2S115 Q117S115-Q119 WeakPolarHBondContact O-CG 3.39Å; S115-Q119 PolarHBondContact O-N 3.44Å; Q117-Q119 VanDerWaalsContact C-N 3.31Å; Q117-Q119 PolarHBondContact O-N 3.41Å
120R70.9Confident67.2Low212 Ų212123.2 Ų123.280%0.865%0.652SS**Hα-helixtrans-75.9-30177.4-70-177.3179.9173.6-0.5113.6L116 Q117 S118L116-R120 PolarHBondContact O-N 3.37Å; Q117-R120 PolarHBondContact O-N 3.44Å; Q117-R120 VanDerWaalsContact O-N 3.14Å; S118-R120 VanDerWaalsContact C-N 3.27Å; S118-R120 PolarHBondContact O-N 3.47Å
121I66.2Low65.4Low130 Ų130127.7 Ų127.767%0.66766%0.663SS**Hα-helixtrans-82.7-23.4-176.3-60.9169.6000111.2Q117 S118 V123Q117-I121 PolarHBondContact O-N 3.37Å; S118-I121 PolarHBondContact O-N 2.91Å; I121-V123 PolarHBondContact O-N 2.96Å; I121-V123 VanDerWaalsContact O-N 3.08Å
122A57.6Low64Low76 Ų76132.8 Ų132.863%0.62867%0.673SS**THydrogen-bonded Turntrans-75.911.1-174.100000115.7S118 P124S118-A122 PolarHBondContact O-N 2.99Å; A122-P124 VanDerWaalsContact O-CD 3.31Å; A122-P124 WeakPolarHBondContact O-CD 3.45Å
123V55.3Low62Low105 Ų105128.7 Ų128.764%0.63667%0.674SS**  trans-83.9109.6172.3-176.40000108.6I121 T125I121-V123 PolarHBondContact O-N 2.96Å; I121-V123 VanDerWaalsContact O-N 3.08Å; V123-T125 PolarHBondContact O-N 3.23Å
124P51.1Low59.9Low115 Ų115130.3 Ų130.375%0.74769%0.69SS**  trans-74.4118.41795.311.5000108.3A122A122-P124 VanDerWaalsContact O-CD 3.31Å; A122-P124 WeakPolarHBondContact O-CD 3.45Å
125T49.3Very low58.2Low139 Ų139128.8 Ų128.885%0.85369%0.692SS**  trans-97.8106163.237.80000106.9V123V123-T125 PolarHBondContact O-N 3.23Å
126D47Very low56.3Low146 Ų146134.3 Ų134.378%0.78171%0.711SS**  trans-120.5137.3173.3-129.2-19000108.2
127I52.7Low54.4Low143 Ų143135.2 Ų135.273%0.73373%0.725SS**  trans86.991.8164.2-46.3161.7000117.1
128K45.7Very low52.9Low183 Ų183139.8 Ų139.880%0.79674%0.743SS**  48.6132.8127.3-60.8178.1-179.41780120.5
129D46.9Very low51.6Low151 Ų151144 Ų14481%0.80776%0.76SS**  trans73.987.3155.5-57-33.4000118.6
130M45.2Very low50.6Low182 Ų182145 Ų14590%0.89777%0.768SS**  trans-158.1113.1134.9-92.2-13982.100110.5
131K46.4Very low49.5Very low189 Ų189138.1 Ų138.182%0.82275%0.752SS**  trans-75.5140.6164.1-75.9177.1176.3177.10109.1
132Q49Very low49Very low185 Ų185139.8 Ų139.886%0.86476%0.761SS**SBendtrans73.7140.9157.9-68.7171.7-11.200118.6
133S43.5Very low49Very low107 Ų107143.7 Ų143.775%0.74877%0.767SS**  trans93.4146.4167.7-167.20000116.3
134T44.8Very low48.9Very low124 Ų124143.8 Ų143.876%0.76177%0.771SS**  trans81.696.4175.476.20000113.5
135A45.3Very low49Very low65 Ų65145.4 Ų145.454%0.53777%0.773SS.*  cis52.7106.847.700000111.1
136H40.9Very low49.3Very low177 Ų177145.3 Ų145.382%0.81977%0.767SS**  trans68.286.2160.9-3.7-78.9000118
137S47.1Very low49.7Very low109 Ų109144 Ų14476%0.76277%0.766SS**  trans-97.173.6145.772.30000109.1L139S137-L139 PolarHBondContact O-N 3.32Å
138K52.8Low49.7Very low200 Ų200143.7 Ų143.787%0.8777%0.771SS**  trans-65.291.3158.3-125.2176-175.3176.10104.9I140K138-I140 PolarHBondContact O-N 3.01Å; K138-I140 VanDerWaalsContact O-N 3.08Å
139L51.4Low50.4Low155 Ų155144.1 Ų144.181%0.81277%0.773SS**  trans-58117.2171.4-68.7173.8000106.4S137 S141S137-L139 PolarHBondContact O-N 3.32Å; L139-S141 PolarHBondContact O-N 3.49Å
140I52.6Low51Low152 Ų152142.7 Ų142.778%0.77977%0.772SS**  trans-57.1106.5173.4-67.6164.6000106.2K138 L142K138-I140 PolarHBondContact O-N 3.01Å; K138-I140 VanDerWaalsContact O-N 3.08Å; I140-L142 PolarHBondContact O-N 3.45Å
141S48.5Very low51.7Low68 Ų68138 Ų13848%0.47676%0.763SS.*  trans-63.2121.6169-135.60000106.9L139 E143 C144L139-S141 PolarHBondContact O-N 3.49Å; S141-E143 PolarHBondContact O-N 3.4Å; S141-E143 PolarHBondContact OG-OE2 2.86Å; S141-C144 PolarHBondContact O-N 3.4Å
142L55.6Low52.8Low164 Ų164134.8 Ų134.886%0.85976%0.761SS**G310 helixtrans-59-8.5172.5-91.6143.3000112.6I140 C144I140-L142 PolarHBondContact O-N 3.45Å; L142-C144 VanDerWaalsContact C-N 3.26Å; L142-C144 PolarHBondContact O-N 3.29Å
143E58.4Low53.9Low158 Ų158132.4 Ų132.474%0.73876%0.759SS**G310 helixtrans-64.4-13.9171.6-89.286.2-164.800115.9S141S141-E143 PolarHBondContact O-N 3.4Å; S141-E143 PolarHBondContact OG-OE2 2.86Å
144C52.2Low55.3Low108 Ų108131.1 Ų131.173%0.7374%0.743SS**G310 helixtrans-100.37.1-168.6-64.80000116.9S141 L142S141-C144 PolarHBondContact O-N 3.4Å; L142-C144 VanDerWaalsContact C-N 3.26Å; L142-C144 PolarHBondContact O-N 3.29Å
145L53.2Low57.2Low149 Ų149128.1 Ų128.178%0.7873%0.725SS**SBendtrans-129.613.5-172.1-85.7167.8000117.3
146N55.6Low59Low136 Ų136130.4 Ų130.473%0.72773%0.734SS**SBendtrans-126.2125.3169.1-70.8-55.6000110.9T148N146-T148 PolarHBondContact O-N 2.95Å; N146-T148 VanDerWaalsContact O-N 3.11Å
147P56.4Low61.1Low119 Ų119129.1 Ų129.177%0.77373%0.728SS**  trans-60.5119.3173.725.1-31.5000108.8K149P147-K149 PolarHBondContact O-N 2.94Å
148T51.9Low63Low137 Ų137128.7 Ų128.784%0.8471%0.714SS**  trans-50.4107.317334.80000109.8N146N146-T148 PolarHBondContact O-N 2.95Å; N146-T148 VanDerWaalsContact O-N 3.11Å
149K60.2Low64.6Low192 Ų192122.6 Ų122.684%0.83569%0.691SS**PPolyproline II helixtrans-57.5133.7161.8-77.4-179.6177.6178.90107.4P147 A151P147-K149 PolarHBondContact O-N 2.94Å; K149-A151 PolarHBondContact O-N 3.36Å; K149-A151 VanDerWaalsContact O-N 3.14Å
150P60.9Low66.5Low120 Ų120117.8 Ų117.878%0.77967%0.673SS**PPolyproline II helixtrans-60.6121.517725-32000108.5
151A59.5Low68.2Low85 Ų85113.8 Ų113.870%0.70266%0.656SS**PPolyproline II helixtrans-56.3129.3173.600000108.8K149 T153K149-A151 PolarHBondContact O-N 3.36Å; K149-A151 VanDerWaalsContact O-N 3.14Å; A151-T153 PolarHBondContact O-N 3Å; A151-T153 VanDerWaalsContact O-N 3.08Å
152P68.4Low70.2Confident120 Ų120115.8 Ų115.878%0.77965%0.653SS**  trans-67.3111.5179.126.2-31.9000109.2L154P152-L154 PolarHBondContact O-N 2.83Å; P152-L154 VanDerWaalsContact O-N 3.13Å
153T72Confident72.1Confident135 Ų135114 Ų11483%0.82864%0.64SS**  trans-65.8108.7171.945.90000109.1A151A151-T153 PolarHBondContact O-N 3Å; A151-T153 VanDerWaalsContact O-N 3.08Å
154L74.4Confident73.8Confident80 Ų80114.5 Ų114.542%0.41964%0.64SS.*  trans-57.7134.9177.5-71.7165.6000110.8P152 Q158 I159P152-L154 PolarHBondContact O-N 2.83Å; P152-L154 VanDerWaalsContact O-N 3.13Å; L154-Q158 HydrophobicContact CD2-CB 4.34Å; L154-Q158 VanDerWaalsContact CD2-OE1 3.28Å; L154-I159 HydrophobicContact CB-CD1 4.45Å; L154-I159 HydrophobicContact CB-CG1 4.04Å
155T82.9Confident75.8Confident62 Ų62116.9 Ų116.938%0.3863%0.633SS.*  trans-67.8149.6176.665.10000110.2E157 Q158 I159T155-E157 PolarHBondContact O-N 2.91Å; T155-E157 VanDerWaalsContact O-N 3.12Å; T155-Q158 WeakPolarHBondContact O-CB 3.39Å; T155-Q158 PolarHBondContact O-N 3.28Å; T155-Q158 VanDerWaalsContact OG1-CD 3.3Å; T155-Q158 VanDerWaalsContact OG1-CG 3.22Å; T155-Q158 WeakPolarHBondContact OG1-CG 3.46Å; T155-Q158 PolarHBondContact OG1-N 3.03Å; T155-I159 PolarHBondContact O-N 3.45Å; T155-I159 VanDerWaalsContact O-N 3.1Å
156P84.9Confident77.7Confident112 Ų112112.6 Ų112.673%0.72761%0.611SS**Hα-helixtrans-57.6-30.2-178.822.1-33.5000112.8I159 A160P156-I159 PolarHBondContact O-N 3.07Å; P156-A160 PolarHBondContact O-N 3.49Å
157E83.6Confident79.5Confident150 Ų150108.7 Ų108.770%0.70160%0.597SS**Hα-helixtrans-66.4-42.4174.2-168.6179.917800112.4T155 I159 A160 V161T155-E157 PolarHBondContact O-N 2.91Å; T155-E157 VanDerWaalsContact O-N 3.12Å; E157-I159 VanDerWaalsContact C-N 3.3Å; E157-I159 PolarHBondContact O-N 2.97Å; E157-A160 PolarHBondContact O-N 3.05Å; E157-V161 WeakPolarHBondContact O-CG2 3.47Å; E157-V161 PolarHBondContact O-N 3.45Å
158Q87.9Confident81.3Confident100 Ų100108.7 Ų108.747%0.46759%0.587SS.*Hα-helixtrans-64.9-36175.5-71.8169.9-4.400111.8L154 T155 V161 R162L154-Q158 HydrophobicContact CD2-CB 4.34Å; L154-Q158 VanDerWaalsContact CD2-OE1 3.28Å; T155-Q158 WeakPolarHBondContact O-CB 3.39Å; T155-Q158 PolarHBondContact O-N 3.28Å; T155-Q158 VanDerWaalsContact OG1-CD 3.3Å; T155-Q158 VanDerWaalsContact OG1-CG 3.22Å; T155-Q158 WeakPolarHBondContact OG1-CG 3.46Å; T155-Q158 PolarHBondContact OG1-N 3.03Å; Q158-V161 PolarHBondContact O-N 3.42Å; Q158-R162 WeakPolarHBondContact O-CB 3.44Å; Q158-R162 PolarHBondContact O-N 3.33Å
159I86.1Confident83.3Confident73 Ų73109.6 Ų109.637%0.37458%0.575SS.*Hα-helixtrans-63.6-44.8174.5-62.4172.2000110.2L154 T155 P156 E157 V161 R162 Q163L154-I159 HydrophobicContact CB-CD1 4.45Å; L154-I159 HydrophobicContact CB-CG1 4.04Å; T155-I159 PolarHBondContact O-N 3.45Å; T155-I159 VanDerWaalsContact O-N 3.1Å; P156-I159 PolarHBondContact O-N 3.07Å; E157-I159 VanDerWaalsContact C-N 3.3Å; E157-I159 PolarHBondContact O-N 2.97Å; I159-V161 PolarHBondContact O-N 2.81Å; I159-R162 WeakPolarHBondContact O-CB 3.26Å; I159-R162 PolarHBondContact O-N 3.24Å; I159-Q163 HydrophobicContact CG2-CG 4.42Å; I159-Q163 WeakPolarHBondContact O-CG 3.31Å; I159-Q163 PolarHBondContact O-N 2.81Å
160A90.6Very high85Confident53 Ų53109.2 Ų109.244%0.43857%0.568SS.*Hα-helixtrans-62-43.3176.800000112.2P156 E157 R162 Q163 K164P156-A160 PolarHBondContact O-N 3.49Å; E157-A160 PolarHBondContact O-N 3.05Å; A160-R162 VanDerWaalsContact C-N 3.31Å; A160-R162 PolarHBondContact O-N 3Å; A160-Q163 PolarHBondContact O-N 2.98Å; A160-K164 PolarHBondContact O-N 2.8Å
161V89.6Confident86.6Confident69 Ų69110.1 Ų110.142%0.41856%0.562SS.*Hα-helixtrans-62.2-39.3175.1173.30000111.3E157 Q158 I159 K164 R165E157-V161 WeakPolarHBondContact O-CG2 3.47Å; E157-V161 PolarHBondContact O-N 3.45Å; Q158-V161 PolarHBondContact O-N 3.42Å; I159-V161 PolarHBondContact O-N 2.81Å; V161-K164 PolarHBondContact O-N 2.97Å; V161-R165 PolarHBondContact O-N 3.2Å; V161-R165 VanDerWaalsContact O-N 3.07Å
162R90.5Very high88.2Confident109 Ų109108.6 Ų108.641%0.41155%0.546SS..Hα-helixtrans-66-43.9176.2-169.9174.8-172.3160.77.8111.3E23 Q158 I159 A160 R165 I166E23-R162 IonicContact OE1-CZ 3.85Å; E23-R162 IonicContact OE1-NH2 3.44Å; E23-R162 PolarHBondContact OE1-NH2 3.28Å; Q158-R162 WeakPolarHBondContact O-CB 3.44Å; Q158-R162 PolarHBondContact O-N 3.33Å; I159-R162 WeakPolarHBondContact O-CB 3.26Å; I159-R162 PolarHBondContact O-N 3.24Å; A160-R162 VanDerWaalsContact C-N 3.31Å; A160-R162 PolarHBondContact O-N 3Å; R162-R165 PolarHBondContact O-N 3.48Å; R162-I166 HydrophobicContact CG-CD1 4.11Å; R162-I166 VanDerWaalsContact O-CG1 3.31Å; R162-I166 WeakPolarHBondContact O-CG1 3.34Å; R162-I166 PolarHBondContact O-N 3.19Å
163Q94.6Very high89.5Confident127 Ų127105.8 Ų105.859%0.59353%0.533SS*.Hα-helixtrans-61.7-43.1176.1-73.5176.7-5.200111.6I159 A160 R165 I166 A167I159-Q163 HydrophobicContact CG2-CG 4.42Å; I159-Q163 WeakPolarHBondContact O-CG 3.31Å; I159-Q163 PolarHBondContact O-N 2.81Å; A160-Q163 PolarHBondContact O-N 2.98Å; Q163-R165 PolarHBondContact O-N 2.85Å; Q163-I166 PolarHBondContact O-N 2.92Å; Q163-A167 WeakPolarHBondContact O-CB 3.2Å; Q163-A167 PolarHBondContact O-N 2.87Å
164K93.5Very high90.7Very high168 Ų168106.8 Ų106.873%0.7353%0.526SS*.Hα-helixtrans-60.9-42.8175.6-167.6176-177.8178.40112A160 V161 I166 A167 H168A160-K164 PolarHBondContact O-N 2.8Å; V161-K164 PolarHBondContact O-N 2.97Å; K164-I166 PolarHBondContact O-N 3.17Å; K164-A167 PolarHBondContact O-N 3.45Å; K164-H168 WeakPolarHBondContact O-CB 3.48Å; K164-H168 PolarHBondContact O-N 3.19Å
165R94.6Very high91.6Very high158 Ų158108.9 Ų108.960%0.59653%0.533SS*.Hα-helixtrans-64.6-38.1174.7-80.2-171-88.6-178-6.7112.8V161 R162 Q163 R169V161-R165 PolarHBondContact O-N 3.2Å; V161-R165 VanDerWaalsContact O-N 3.07Å; R162-R165 PolarHBondContact O-N 3.48Å; Q163-R165 PolarHBondContact O-N 2.85Å; R165-R169 WeakPolarHBondContact O-CG 3.27Å; R165-R169 PolarHBondContact O-N 3.5Å; R165-R169 VanDerWaalsContact O-N 3.16Å; R165-R169 PolarHBondContact O-NE 3.35Å
166I92.8Very high92.3Very high60 Ų60112.2 Ų112.231%0.30854%0.542SS..Hα-helixtrans-66.9-43.8175.2-67.8165.9000110.5R162 Q163 K164 R169 R170R162-I166 HydrophobicContact CG-CD1 4.11Å; R162-I166 VanDerWaalsContact O-CG1 3.31Å; R162-I166 WeakPolarHBondContact O-CG1 3.34Å; R162-I166 PolarHBondContact O-N 3.19Å; Q163-I166 PolarHBondContact O-N 2.92Å; K164-I166 PolarHBondContact O-N 3.17Å; I166-R169 PolarHBondContact O-N 3.16Å; I166-R170 WeakPolarHBondContact O-CG 3.42Å; I166-R170 PolarHBondContact O-N 2.94Å
167A93.6Very high92.7Very high53 Ų53109 Ų10944%0.43853%0.525SS..Hα-helixtrans-59.6-48.7176.700000111.7Q163 K164 R169 R170 E171Q163-A167 WeakPolarHBondContact O-CB 3.2Å; Q163-A167 PolarHBondContact O-N 2.87Å; K164-A167 PolarHBondContact O-N 3.45Å; A167-R169 VanDerWaalsContact C-N 3.32Å; A167-R169 PolarHBondContact O-N 3.32Å; A167-R170 WeakPolarHBondContact O-CB 3.4Å; A167-R170 PolarHBondContact O-N 3.21Å; A167-R170 VanDerWaalsContact O-N 3.09Å; A167-E171 PolarHBondContact O-N 2.86Å
168H95.6Very high93.3Very high120 Ų120107.2 Ų107.256%0.55652%0.517SS*.Hα-helixtrans-58.8-40.7177.3-176.6-87.6000112.6K164 E171 S172K164-H168 WeakPolarHBondContact O-CB 3.48Å; K164-H168 PolarHBondContact O-N 3.19Å; H168-E171 PolarHBondContact O-N 3.44Å; H168-S172 PolarHBondContact CE1-OG 3.44Å; H168-S172 VanDerWaalsContact O-CB 3.32Å; H168-S172 WeakPolarHBondContact O-CB 3.49Å; H168-S172 PolarHBondContact O-N 3.25Å; H168-S172 PolarHBondContact O-OG 3.37Å
169R93.5Very high93.6Very high155 Ų155104.9 Ų104.959%0.58551%0.51SS*.Hα-helixtrans-65.1-39.8175.6-76.2-174.6-70.8-144.22.4112.4R165 I166 A167 A173R165-R169 WeakPolarHBondContact O-CG 3.27Å; R165-R169 PolarHBondContact O-N 3.5Å; R165-R169 VanDerWaalsContact O-N 3.16Å; R165-R169 PolarHBondContact O-NE 3.35Å; I166-R169 PolarHBondContact O-N 3.16Å; A167-R169 VanDerWaalsContact C-N 3.32Å; A167-R169 PolarHBondContact O-N 3.32Å; R169-A173 WeakPolarHBondContact O-CB 3.48Å; R169-A173 PolarHBondContact O-N 3.31Å
170R96Very high94.1Very high185 Ų185106 Ų10670%0.69851%0.513SS*.Hα-helixtrans-65.6-43.9176.6-72.7178175.5-171.7-1111.5I166 A167 A173 K174I166-R170 WeakPolarHBondContact O-CG 3.42Å; I166-R170 PolarHBondContact O-N 2.94Å; A167-R170 WeakPolarHBondContact O-CB 3.4Å; A167-R170 PolarHBondContact O-N 3.21Å; A167-R170 VanDerWaalsContact O-N 3.09Å; R170-A173 PolarHBondContact O-N 2.64Å; R170-K174 PolarHBondContact O-N 3.17Å
171E93.1Very high94.4Very high138 Ų138110.6 Ų110.665%0.64552%0.523SS*.Hα-helixtrans-64.4-45.7177.4-173.2175.2-170.500111.8A167 H168 A173 K174 H175A167-E171 PolarHBondContact O-N 2.86Å; H168-E171 PolarHBondContact O-N 3.44Å; E171-A173 VanDerWaalsContact C-N 3.3Å; E171-A173 PolarHBondContact O-N 3.33Å; E171-K174 WeakPolarHBondContact O-CB 3.47Å; E171-K174 PolarHBondContact O-N 3.25Å; E171-K174 VanDerWaalsContact O-N 3.14Å; E171-H175 PolarHBondContact O-N 2.84Å
172S94.5Very high94.6Very high54 Ų54112.5 Ų112.538%0.37853%0.53SS..Hα-helixtrans-59.1-40.9175.4-630000112.2H168 K176H168-S172 PolarHBondContact CE1-OG 3.44Å; H168-S172 VanDerWaalsContact O-CB 3.32Å; H168-S172 WeakPolarHBondContact O-CB 3.49Å; H168-S172 PolarHBondContact O-N 3.25Å; H168-S172 PolarHBondContact O-OG 3.37Å; S172-K176 WeakPolarHBondContact O-CB 3.41Å; S172-K176 PolarHBondContact O-N 3.13Å
173A94.4Very high94.8Very high60 Ų60112.1 Ų112.150%0.49653%0.533SS..Hα-helixtrans-66.6-40176.500000112R169 R170 E171 A177R169-A173 WeakPolarHBondContact O-CB 3.48Å; R169-A173 PolarHBondContact O-N 3.31Å; R170-A173 PolarHBondContact O-N 2.64Å; E171-A173 VanDerWaalsContact C-N 3.3Å; E171-A173 PolarHBondContact O-N 3.33Å; A173-A177 WeakPolarHBondContact O-CB 3.49Å; A173-A177 PolarHBondContact O-N 2.86Å
174K96.9Very high94.8Very high156 Ų156109.5 Ų109.568%0.67853%0.526SS*.Hα-helixtrans-63.5-47.5175.5-173.4-175.8174.5-169.30111.3R170 E171 A177 E178R170-K174 PolarHBondContact O-N 3.17Å; E171-K174 WeakPolarHBondContact O-CB 3.47Å; E171-K174 PolarHBondContact O-N 3.25Å; E171-K174 VanDerWaalsContact O-N 3.14Å; K174-A177 PolarHBondContact O-N 2.8Å; K174-E178 PolarHBondContact O-N 3.34Å
175H94.2Very high94.8Very high124 Ų124105.2 Ų105.257%0.57451%0.514SS*.Hα-helixtrans-61.1-45.8177.8-179.8-93.2000111.8E171 A177 E178 V179E171-H175 PolarHBondContact O-N 2.84Å; H175-A177 VanDerWaalsContact C-N 3.35Å; H175-A177 PolarHBondContact O-N 3.43Å; H175-E178 PolarHBondContact O-N 3.29Å; H175-V179 WeakPolarHBondContact O-CG2 3.01Å; H175-V179 PolarHBondContact O-N 3.1Å
176K96.7Very high94.7Very high133 Ų133103.9 Ų103.958%0.57851%0.514SS*.Hα-helixtrans-60.4-43.4176.4-172.7-179.7177.3-172.30112S172 E178 V179 E180S172-K176 WeakPolarHBondContact O-CB 3.41Å; S172-K176 PolarHBondContact O-N 3.13Å; K176-E178 VanDerWaalsContact C-N 3.32Å; K176-E178 PolarHBondContact O-N 2.68Å; K176-V179 PolarHBondContact O-N 2.96Å; K176-E180 WeakPolarHBondContact CE-OE1 3.09Å; K176-E180 IonicContact NZ-OE1 4Å; K176-E180 WeakPolarHBondContact O-CG 3.4Å; K176-E180 PolarHBondContact O-N 2.8Å
177A94.8Very high94.6Very high45 Ų45108.7 Ų108.737%0.37253%0.529SS..Hα-helixtrans-64.7-35.5177.400000112.5A173 K174 H175 K181A173-A177 WeakPolarHBondContact O-CB 3.49Å; A173-A177 PolarHBondContact O-N 2.86Å; K174-A177 PolarHBondContact O-N 2.8Å; H175-A177 VanDerWaalsContact C-N 3.35Å; H175-A177 PolarHBondContact O-N 3.43Å; A177-K181 WeakPolarHBondContact O-CB 3.4Å; A177-K181 VanDerWaalsContact O-CG 3.29Å; A177-K181 WeakPolarHBondContact O-CG 3.42Å; A177-K181 PolarHBondContact O-N 2.98Å
178E95.9Very high94.4Very high111 Ų111110.8 Ų110.852%0.51953%0.532SS..Hα-helixtrans-68.7-44.4175.4-172.6167.1-171.300111.8K174 H175 K176 E180 K181 L182K174-E178 PolarHBondContact O-N 3.34Å; H175-E178 PolarHBondContact O-N 3.29Å; K176-E178 VanDerWaalsContact C-N 3.32Å; K176-E178 PolarHBondContact O-N 2.68Å; E178-E180 PolarHBondContact O-N 3.09Å; E178-K181 WeakPolarHBondContact O-CB 3.39Å; E178-K181 PolarHBondContact O-N 2.85Å; E178-L182 WeakPolarHBondContact O-CG 3.32Å; E178-L182 PolarHBondContact O-N 2.9Å
179V94.9Very high94.1Very high52 Ų52110.3 Ų110.332%0.31553%0.533SS..Hα-helixtrans-60.3-43.7174.2173.30000111.3H175 K176 K181 L182 Q183H175-V179 WeakPolarHBondContact O-CG2 3.01Å; H175-V179 PolarHBondContact O-N 3.1Å; K176-V179 PolarHBondContact O-N 2.96Å; V179-K181 VanDerWaalsContact C-N 3.35Å; V179-K181 PolarHBondContact O-N 3.48Å; V179-L182 PolarHBondContact O-N 3.1Å; V179-Q183 HydrophobicContact CG1-CG 4.44Å; V179-Q183 WeakPolarHBondContact O-CB 3.13Å; V179-Q183 WeakPolarHBondContact O-CG 3.37Å; V179-Q183 PolarHBondContact O-N 2.97Å
180E94.8Very high93.8Very high96 Ų96109.6 Ų109.645%0.44953%0.534SS..Hα-helixtrans-64.8-37.1176.8-75177.2-176.700112.4K176 E178 T184K176-E180 WeakPolarHBondContact CE-OE1 3.09Å; K176-E180 IonicContact NZ-OE1 4Å; K176-E180 WeakPolarHBondContact O-CG 3.4Å; K176-E180 PolarHBondContact O-N 2.8Å; E178-E180 PolarHBondContact O-N 3.09Å; E180-T184 WeakPolarHBondContact O-CB 3.35Å; E180-T184 PolarHBondContact O-N 3.02Å; E180-T184 PolarHBondContact O-OG1 3.03Å
181K96.9Very high93Very high150 Ų150104.7 Ų104.765%0.65252%0.521SS*.Hα-helixtrans-62.7-47.2171.9-78.1177.4-179.4-176.20111.3A177 E178 V179 T184 V185A177-K181 WeakPolarHBondContact O-CB 3.4Å; A177-K181 VanDerWaalsContact O-CG 3.29Å; A177-K181 WeakPolarHBondContact O-CG 3.42Å; A177-K181 PolarHBondContact O-N 2.98Å; E178-K181 WeakPolarHBondContact O-CB 3.39Å; E178-K181 PolarHBondContact O-N 2.85Å; V179-K181 VanDerWaalsContact C-N 3.35Å; V179-K181 PolarHBondContact O-N 3.48Å; K181-T184 WeakPolarHBondContact O-CB 3.44Å; K181-T184 PolarHBondContact O-N 2.99Å; K181-V185 WeakPolarHBondContact O-CG2 3.14Å; K181-V185 PolarHBondContact O-N 2.95Å
182L95.1Very high92.1Very high108 Ų108102.5 Ų102.557%0.56551%0.513SS*.Hα-helixtrans-62.1-44.4178-69.3175000111.7E178 V179 T184 V185 E186E178-L182 WeakPolarHBondContact O-CG 3.32Å; E178-L182 PolarHBondContact O-N 2.9Å; V179-L182 PolarHBondContact O-N 3.1Å; L182-T184 VanDerWaalsContact C-N 3.27Å; L182-T184 PolarHBondContact O-N 2.9Å; L182-V185 PolarHBondContact O-N 3.31Å; L182-E186 WeakPolarHBondContact O-CB 3.23Å; L182-E186 PolarHBondContact O-N 2.97Å
183Q94.4Very high90.9Very high101 Ų101103.1 Ų103.147%0.47252%0.522SS..Hα-helixtrans-60.2-37.6174.5-74.5-179.94.600112.3V179 R187V179-Q183 HydrophobicContact CG1-CG 4.44Å; V179-Q183 WeakPolarHBondContact O-CB 3.13Å; V179-Q183 WeakPolarHBondContact O-CG 3.37Å; V179-Q183 PolarHBondContact O-N 2.97Å; Q183-R187 VanDerWaalsContact O-CB 3.29Å; Q183-R187 WeakPolarHBondContact O-CB 3.48Å; Q183-R187 PolarHBondContact O-N 3.47Å
184T93.6Very high89.4Confident72 Ų72105.3 Ų105.344%0.44253%0.525SS..Hα-helixtrans-68.3-43.8177.1-57.90000111.1E180 K181 L182 R187 L188E180-T184 WeakPolarHBondContact O-CB 3.35Å; E180-T184 PolarHBondContact O-N 3.02Å; E180-T184 PolarHBondContact O-OG1 3.03Å; K181-T184 WeakPolarHBondContact O-CB 3.44Å; K181-T184 PolarHBondContact O-N 2.99Å; L182-T184 VanDerWaalsContact C-N 3.27Å; L182-T184 PolarHBondContact O-N 2.9Å; T184-R187 PolarHBondContact O-N 3.49Å; T184-L188 HydrophobicContact CG2-CD1 4.4Å; T184-L188 WeakPolarHBondContact O-CG 3.46Å; T184-L188 PolarHBondContact O-N 2.97Å
185V94Very high87.6Confident78 Ų78102.5 Ų102.547%0.47352%0.521SS..Hα-helixtrans-62.2-46.3175.3172.30000110.8K181 L182 R187 L188 L189K181-V185 WeakPolarHBondContact O-CG2 3.14Å; K181-V185 PolarHBondContact O-N 2.95Å; L182-V185 PolarHBondContact O-N 3.31Å; V185-R187 VanDerWaalsContact C-N 3.34Å; V185-R187 PolarHBondContact O-N 3.29Å; V185-L188 PolarHBondContact O-N 3.15Å; V185-L189 HydrophobicContact CG1-CD1 4.02Å; V185-L189 HydrophobicContact CG1-CG 4.37Å; V185-L189 WeakPolarHBondContact O-CG 3.01Å; V185-L189 PolarHBondContact O-N 2.7Å
186E92.1Very high85.9Confident130 Ų130103.4 Ų103.461%0.60753%0.529SS*.Hα-helixtrans-59.1-44.4176.3-170.5-169.2170.700111.4L182 L188 L189 K190L182-E186 WeakPolarHBondContact O-CB 3.23Å; L182-E186 PolarHBondContact O-N 2.97Å; E186-L188 VanDerWaalsContact C-N 3.33Å; E186-L188 PolarHBondContact O-N 3.03Å; E186-L189 PolarHBondContact O-N 3.39Å; E186-K190 VanDerWaalsContact O-CB 3.31Å; E186-K190 WeakPolarHBondContact O-CB 3.19Å; E186-K190 PolarHBondContact O-N 2.7Å
187R91.4Very high83.9Confident161 Ų161100.1 Ų100.161%0.60853%0.533SS*.Hα-helixtrans-59.5-43.5176-172.6-176.1-66.6161.20.8111.5Q183 T184 V185 K190 I191Q183-R187 VanDerWaalsContact O-CB 3.29Å; Q183-R187 WeakPolarHBondContact O-CB 3.48Å; Q183-R187 PolarHBondContact O-N 3.47Å; T184-R187 PolarHBondContact O-N 3.49Å; V185-R187 VanDerWaalsContact C-N 3.34Å; V185-R187 PolarHBondContact O-N 3.29Å; R187-K190 PolarHBondContact O-N 3.15Å; R187-I191 HydrophobicContact CG-CD1 4.08Å; R187-I191 WeakPolarHBondContact O-CD1 3.41Å; R187-I191 WeakPolarHBondContact O-CG1 3.38Å; R187-I191 PolarHBondContact O-N 3.22Å
188L89.8Confident81.9Confident97 Ų97108.8 Ų108.851%0.50856%0.556SS.*Hα-helixtrans-66.9-43.2178-71172.6000112.2T184 V185 E186 K190 I191 N192T184-L188 HydrophobicContact CG2-CD1 4.4Å; T184-L188 WeakPolarHBondContact O-CG 3.46Å; T184-L188 PolarHBondContact O-N 2.97Å; V185-L188 PolarHBondContact O-N 3.15Å; E186-L188 VanDerWaalsContact C-N 3.33Å; E186-L188 PolarHBondContact O-N 3.03Å; L188-K190 VanDerWaalsContact C-N 3.34Å; L188-K190 PolarHBondContact O-N 2.99Å; L188-I191 PolarHBondContact O-N 2.82Å; L188-N192 PolarHBondContact O-N 3.35Å
189L88.4Confident79.7Confident111 Ų111115.1 Ų115.158%0.58158%0.575SS**Hα-helixtrans-62.9-41.1175.9-70.4175.8000111.6V185 E186 N192 A193V185-L189 HydrophobicContact CG1-CD1 4.02Å; V185-L189 HydrophobicContact CG1-CG 4.37Å; V185-L189 WeakPolarHBondContact O-CG 3.01Å; V185-L189 PolarHBondContact O-N 2.7Å; E186-L189 PolarHBondContact O-N 3.39Å; L189-N192 PolarHBondContact O-N 3.38Å; L189-A193 WeakPolarHBondContact O-CB 3.29Å; L189-A193 PolarHBondContact O-N 2.88Å
190K87.9Confident77.6Confident139 Ų139115.7 Ų115.760%0.60459%0.591SS**Hα-helixtrans-64.7-38.6175.5-170.7172-174.61710112.3E186 R187 L188 N194E186-K190 VanDerWaalsContact O-CB 3.31Å; E186-K190 WeakPolarHBondContact O-CB 3.19Å; E186-K190 PolarHBondContact O-N 2.7Å; R187-K190 PolarHBondContact O-N 3.15Å; L188-K190 VanDerWaalsContact C-N 3.34Å; L188-K190 PolarHBondContact O-N 2.99Å; K190-N194 VanDerWaalsContact O-CG 3.24Å; K190-N194 PolarHBondContact O-N 2.99Å; K190-N194 PolarHBondContact O-ND2 3.14Å; K190-N194 VanDerWaalsContact O-ND2 3.17Å
191I80.3Confident75.5Confident83 Ų83123.4 Ų123.443%0.42662%0.616SS.*Hα-helixtrans-63.4-46.4173.7-70.4163.5000109.9R187 L188 A193 N194 V195R187-I191 HydrophobicContact CG-CD1 4.08Å; R187-I191 WeakPolarHBondContact O-CD1 3.41Å; R187-I191 WeakPolarHBondContact O-CG1 3.38Å; R187-I191 PolarHBondContact O-N 3.22Å; L188-I191 PolarHBondContact O-N 2.82Å; I191-A193 PolarHBondContact O-N 2.85Å; I191-N194 PolarHBondContact O-N 3.19Å; I191-N194 VanDerWaalsContact O-N 3.16Å; I191-V195 HydrophobicContact CG2-CG2 4.31Å; I191-V195 VanDerWaalsContact O-CG2 3.26Å; I191-V195 WeakPolarHBondContact O-CG2 3.35Å; I191-V195 PolarHBondContact O-N 3.02Å
192N72.4Confident73.3Confident91 Ų91119.6 Ų119.649%0.48762%0.619SS.*Hα-helixtrans-64.6-39.5179.7-71.5-17.9000112.7L188 L189 N194 V195 I196L188-N192 PolarHBondContact O-N 3.35Å; L189-N192 PolarHBondContact O-N 3.38Å; N192-N194 VanDerWaalsContact C-N 3.26Å; N192-N194 PolarHBondContact O-N 2.98Å; N192-V195 PolarHBondContact O-N 2.95Å; N192-I196 WeakPolarHBondContact O-CG1 3.49Å; N192-I196 PolarHBondContact O-N 2.69Å
193A69.3Low71.1Confident68 Ų68126.4 Ų126.456%0.56264%0.638SS**Hα-helixtrans-60.5-36.4174.100000112.3L189 I191L189-A193 WeakPolarHBondContact O-CB 3.29Å; L189-A193 PolarHBondContact O-N 2.88Å; I191-A193 PolarHBondContact O-N 2.85Å
194N64.7Low68.7Low105 Ų105125.2 Ų125.256%0.56165%0.652SS**Hα-helixtrans-77-24.3177.9-69.1-24.7000113.5K190 I191 N192K190-N194 VanDerWaalsContact O-CG 3.24Å; K190-N194 PolarHBondContact O-N 2.99Å; K190-N194 PolarHBondContact O-ND2 3.14Å; K190-N194 VanDerWaalsContact O-ND2 3.17Å; I191-N194 PolarHBondContact O-N 3.19Å; I191-N194 VanDerWaalsContact O-N 3.16Å; N192-N194 VanDerWaalsContact C-N 3.26Å; N192-N194 PolarHBondContact O-N 2.98Å
195V59Low66.8Low97 Ų97130 Ų13059%0.58867%0.674SS**Hα-helixtrans-81.3-29.3179.9173.70000112I191 N192I191-V195 HydrophobicContact CG2-CG2 4.31Å; I191-V195 VanDerWaalsContact O-CG2 3.26Å; I191-V195 WeakPolarHBondContact O-CG2 3.35Å; I191-V195 PolarHBondContact O-N 3.02Å; N192-V195 PolarHBondContact O-N 2.95Å
196I57Low64.4Low144 Ų144137.7 Ų137.774%0.73870%0.695SS**Hα-helixtrans-75.8-26.1-179.8-64.3167.1000112.1N192N192-I196 WeakPolarHBondContact O-CG1 3.49Å; N192-I196 PolarHBondContact O-N 2.69Å
197G54.7Low62.5Low64 Ų64139 Ų13966%0.6671%0.706SS**THydrogen-bonded Turntrans-89.9-4.5-178.200000116.7
198R52.9Low60.2Low226 Ų226139.3 Ų139.385%0.85372%0.72SS**  trans-129.451.5-174.9-65.6-167.5-176-114.62.9113.1G200R198-G200 PolarHBondContact O-N 3.23Å
199R50.7Low57.7Low245 Ų245137.8 Ų137.893%0.92573%0.728SS**  trans-79.9103.2156.3-77.4-171.3-176-173.32.6108.8
200G49.7Very low55.6Low63 Ų63140.3 Ų140.365%0.64974%0.74SS**  trans121.2133.3161.100000114.3R198R198-G200 PolarHBondContact O-N 3.23Å
201R52.3Low53.4Low258 Ų258139.4 Ų139.497%0.97475%0.747SS**  trans74.794.3-176.3-48.2-171.5-167.6-146.14.8111.8
202G48.9Very low51.6Low70 Ų70143 Ų14372%0.72277%0.766SS**  cis110.9124.240.800000107.7
203R50.7Low49.9Very low252 Ų252149.4 Ų149.495%0.95178%0.784SS**  trans65.2117.5159.1-56.6-172.5-176-141.90.4116.1
204G44Very low48.5Very low76 Ų76151.9 Ų151.978%0.78479%0.788SS**  trans-64.1157.8-17300000114.5
205L53.5Low47.2Very low172 Ų172154.7 Ų154.790%0.90180%0.798SS**  trans-140.4119.7155.5-91158.8000106.3
206R43.9Very low46.4Very low240 Ų240158.1 Ų158.191%0.90681%0.811SS**  trans-60.5131.7175-61.9173.2171.8-160.3-3.4108.3
207N50.7Low45.6Very low158 Ų158156.4 Ų156.485%0.84581%0.812SS**  trans-134.197.7163.5-94.6-9.8000110
208N43Very low44.6Very low167 Ų167158 Ų15889%0.89382%0.818SS**  trans-79.1126.2149-94.5-17.2000107.2
209G38.8Very low44.1Very low65 Ų65155.7 Ų155.767%0.6782%0.817SS**  trans83.7139149.400000117.4
210L43.6Very low43.6Very low163 Ų163151 Ų15185%0.85382%0.816SS**  trans93.5107.5149.3-60162.4000118.3
211V42.5Very low42.8Very low121 Ų121160.5 Ų160.573%0.73383%0.832SS**  65.9116.5123.4-168.40000118
212N41.6Very low42Very low157 Ų157152.7 Ų152.784%0.8482%0.817SS**  trans15.3109145.4-83.8-20000118.1
213R36.6Very low41.4Very low226 Ų226157.2 Ų157.285%0.85382%0.819SS**  trans-178.4105136.9-115.7179.9135.3152.7-8.2107.3
214D39.4Very low40.8Very low120 Ų120155.3 Ų155.364%0.64282%0.818SS**  91.9124.190.6-92.6-12.3000113.1
215Q38.7Very low40.4Very low165 Ų165157.7 Ų157.777%0.77181%0.813SS**  trans82.6144.8148.8-62.3172.349.800118
216I41.1Very low39.5Very low169 Ų169155.9 Ų155.987%0.86781%0.809SS**  trans88.6100.9-175.2-44156.9000111.6
217S41Very low39.4Very low108 Ų108152 Ų15276%0.75581%0.806SS**  cis-145.8126.724.7-84.80000110.7
218A34.1Very low38.6Very low97 Ų97150.9 Ų150.980%0.80280%0.8SS**  trans-73.7117.5154.800000108.1
219Q41.9Very low38.5Very low177 Ų177154.3 Ų154.383%0.82780%0.802SS**  trans-179.8135.8150-102.1161.613.100107.9
220T40.2Very low38.4Very low147 Ų147160 Ų16090%0.90281%0.811SS**  trans83.760.3177.371.90000117.3
221R32.7Very low38.1Very low263 Ų263155.4 Ų155.499%0.99280%0.803SS**  trans-115.491.9146-161.6176.9-175.1-178.70.7107.2
222S35.7Very low37.8Very low93 Ų93157 Ų15765%0.6581%0.808SS**  trans-150.6119.8173.2168.10000106.4
223Q36.8Very low37.6Very low165 Ų165157.4 Ų157.477%0.77181%0.808SS**  trans54.2104.7160.5-66.7174.9-15.500116.4
224F38.2Very low38.1Very low212 Ų212154.3 Ų154.393%0.9381%0.807SS**  trans-150.5130.5132.5-118-80.7000109.9
225D35.5Very low38Very low126 Ų126156.3 Ų156.367%0.67481%0.812SS**  trans-69.6146.2-159.1-68.3-63000114.9L227D225-L227 PolarHBondContact O-N 3.01Å; D225-L227 VanDerWaalsContact O-N 3.11Å
226V34.2Very low38.3Very low134 Ų134158.7 Ų158.781%0.81282%0.82SS**  trans-59.2101.7156.5175.50000107.2
227L40.2Very low38.2Very low160 Ų160156.9 Ų156.984%0.83881%0.808SS**  trans-96.1114.9166.5-74.4177.9000109.4D225D225-L227 PolarHBondContact O-N 3.01Å; D225-L227 VanDerWaalsContact O-N 3.11Å
228N35.6Very low38.1Very low134 Ų134160.1 Ų160.172%0.71781%0.805SS**  trans-46139.5168.1-61.4-41.9000111.8
229Y39.4Very low38.2Very low238 Ų238164.5 Ų164.593%0.93381%0.806SS**  trans-129.9108.7153.1-130.3-93.7000108.5
230E37.1Very low37.9Very low184 Ų184163.8 Ų163.886%0.8681%0.808SS**  trans-63.7150.2170-71167136.100110.5
231G38Very low37.8Very low68 Ų68159.7 Ų159.770%0.70180%0.795SS**  trans-171.471.4178.300000112.2
232D36.6Very low38.1Very low154 Ų154153.6 Ų153.682%0.82479%0.787SS**  trans34.8104.4149-60.4-21.2000120
233I37Very low38.1Very low166 Ų166157.8 Ų157.885%0.85180%0.796SS**  trans-106111.7156.7-63.1175.3000107.4
234I46.2Very low38.1Very low160 Ų160153.9 Ų153.982%0.82179%0.792SS**  trans-85.4121.5171.4-67.9174.3000108.9
235E38.1Very low37.7Very low163 Ų163148.9 Ų148.976%0.76278%0.783SS**  trans-60.2147.3172.6-62.7172.2147.300112.7
236K44.6Very low37.9Very low214 Ų214150.9 Ų150.993%0.9379%0.793SS**  trans-152.1116.7144.6-109.7172.2-169.2-177.90110.7
237E39.4Very low38Very low131 Ų131155.5 Ų155.561%0.61280%0.796SS**  trans-77.1173.4-179.6-64.3174.1115.200114
238Y37.7Very low38.1Very low177 Ų177153.4 Ų153.469%0.69479%0.792SS**  trans87.2135.6153.7-63.4-61.1000117.6
239F37.4Very low38.3Very low189 Ų189151.6 Ų151.683%0.82979%0.79SS**  cis-163.7146.925.2-150-102.2000110.5
240N34.4Very low38.4Very low161 Ų161149.3 Ų149.386%0.86179%0.788SS**  trans-87.4155.2175.1-93.1-26.9000112.6
241G39.2Very low38.3Very low62 Ų62143.6 Ų143.664%0.63978%0.778SS**  trans173.991.7161.800000112.4
242T39.1Very low38.8Very low134 Ų134148.8 Ų148.882%0.82279%0.787SS**  82.3115.595470000117.5
243H36.3Very low38.9Very low181 Ų181148.1 Ų148.184%0.83878%0.783SS**  trans93134.6130.6-97.4-93.3000123.7
244A34.9Very low38.8Very low83 Ų83145.5 Ų145.569%0.68678%0.775SS**  trans81.2105.2146.800000117.4
245S31.2Very low38.4Very low107 Ų107144.3 Ų144.375%0.74877%0.77SS**  76.9114.980.5-172.30000112.2
246L40.2Very low38.3Very low169 Ų169144 Ų14489%0.88577%0.773SS**  trans166.1117.2135.5-84.2166000109.9
247R35.7Very low38.1Very low231 Ų231140.7 Ų140.787%0.87277%0.77SS**  trans-106.4-175.9156.4-88.3-151.5176.1-154.3-0.2107.1
248P42Very low38Very low115 Ų115141 Ų14175%0.74778%0.781SS**  cis-133.7-174.3-2223.80.3000111.7
249S39Very low38.2Very low97 Ų97137.6 Ų137.668%0.67878%0.783SS**  trans155.4104.7142.9169.40000110.4
250E42.2Very low38.2Very low190 Ų190132.6 Ų132.689%0.88878%0.777SS**  90.9130.598-72.2-179178.100115
251G35.2Very low38.4Very low64 Ų64135.3 Ų135.366%0.6678%0.776SS**  trans128.8126.5142.200000117.9
252M47.8Very low38.5Very low177 Ų177141 Ų14187%0.87279%0.786SS**  trans98.173.5151.4-42.5-60.5168.900118.8
253N39.6Very low38.4Very low139 Ų139142 Ų14274%0.74379%0.787SS**  42.7122.5116.5-72.6-20.3000122.7
254T35.5Very low38.8Very low111 Ų111139.5 Ų139.568%0.68178%0.784SS**  59.6130.6126.665.20000118.3
255D36.2Very low39.1Very low135 Ų135143.8 Ų143.872%0.72279%0.787SS**  cis-173.4162.839.1-102.3-29.2000110.9
256L37.5Very low39.4Very low158 Ų158146.8 Ų146.883%0.82779%0.792SS**  trans71.8110.8158.4-64.8145.1000116.2
257V40.6Very low39.7Very low143 Ų143144.4 Ų144.487%0.86779%0.789SS**  -150.8126.668.1167.80000110.7
258V36.6Very low39.8Very low138 Ų138140.2 Ų140.284%0.83678%0.784SS**  trans-94.7129.3178.3168.30000110.4
259S40.9Very low39.9Very low105 Ų105141.8 Ų141.873%0.73479%0.786SS**  trans-179.3102.8133.3610000107.3
260A37.9Very low40Very low85 Ų85144.6 Ų144.670%0.70279%0.794SS**  119.980.868.600000106.8
261Y38.6Very low39.9Very low218 Ų218144.2 Ų144.286%0.85579%0.794SS**  trans-100.695.8159.516.6-95.4000106.3N263Y261-N263 PolarHBondContact O-N 3.42Å
262E41.9Very low40.1Very low180 Ų180146 Ų14684%0.84180%0.796SS**  trans-77.5104.5168.4-83.4-174.5148.900109.1
263N37.6Very low39.8Very low156 Ų156142.3 Ų142.383%0.83478%0.783SS**  trans-84.3102161.3-81.3-44.3000108.5Y261Y261-N263 PolarHBondContact O-N 3.42Å
264T44.7Very low39.8Very low129 Ų129140.8 Ų140.879%0.79178%0.784SS**  trans-92.2113.8166.2-44.40000109.2
265K39.6Very low40Very low172 Ų172142 Ų14275%0.74879%0.786SS**  trans-66.6150.7172.6-84.5178175.8176.10111.9
266M37.5Very low40.2Very low171 Ų171141.2 Ų141.284%0.84279%0.787SS**  trans73.299.4145.3-69.5161.9165.300118.4
267S46.7Very low40.4Very low119 Ų119140.6 Ų140.683%0.83279%0.785SS**  -177.4134.3118.155.30000110.8
268D37.9Very low40.7Very low143 Ų143138.7 Ų138.777%0.76577%0.774SS**  trans-59.1161.9179.2-59.2-62000114.2
269N44.6Very low41.7Very low148 Ų148140.7 Ų140.779%0.79177%0.774SS**  trans92.975.4162.6-48.6-35.7000117.8
270N41Very low42.7Very low156 Ų156139.1 Ų139.183%0.83476%0.763SS**  161.589.2127.2-88.2-26.4000110.1S272N270-S272 PolarHBondContact O-N 3.29Å
271M40.4Very low44Very low181 Ų181143 Ų14389%0.89276%0.76SS**  trans-69.778.2170.3-89.8-76.4-176.900110.2V273M271-V273 HydrophobicContact CE-CG2 4.23Å; M271-V273 HydrophobicContact SD-CG2 3.13Å; M271-V273 WeakPolarHBondContact SD-CG2 3.11Å
272S39.2Very low45.4Very low101 Ų101135.4 Ų135.471%0.70674%0.735SS**  trans-102.479.9148.458.40000106.9N270 S274N270-S272 PolarHBondContact O-N 3.29Å; S272-S274 PolarHBondContact O-N 2.95Å
273V40.7Very low47.2Very low100 Ų100127.6 Ų127.661%0.60670%0.7SS**  trans-65.392.5168-176.80000106M271 L275M271-V273 HydrophobicContact CE-CG2 4.23Å; M271-V273 HydrophobicContact SD-CG2 3.13Å; M271-V273 WeakPolarHBondContact SD-CG2 3.11Å; V273-L275 PolarHBondContact O-N 3.39Å
274S40Very low48.9Very low107 Ų107128.5 Ų128.575%0.74870%0.696SS**  trans-52.3108.8157.69.30000105.2S272S272-S274 PolarHBondContact O-N 2.95Å
275L40.8Very low50.3Low138 Ų138126 Ų12672%0.72369%0.689SS**  trans-45.4138.4169.8-82.585.7000107.4V273 N277V273-L275 PolarHBondContact O-N 3.39Å; L275-N277 PolarHBondContact O-N 2.95Å
276P40.3Very low52Low117 Ų117120.6 Ų120.676%0.7668%0.682SS**  trans-55.9111.8169.425.1-30000105.6V278P276-V278 PolarHBondContact O-N 3.46Å
277N41.5Very low53.8Low146 Ų146120.1 Ų120.178%0.78167%0.672SS**  trans-33.8111.5177.3-176.53.9000107.6L275 Q279L275-N277 PolarHBondContact O-N 2.95Å; N277-Q279 VanDerWaalsContact C-N 3.26Å; N277-Q279 PolarHBondContact O-N 3.21Å
278V47.3Very low55.6Low103 Ų103118.1 Ų118.162%0.62465%0.651SS**  trans-5297.5-175.1174.60000105.9P276 S280P276-V278 PolarHBondContact O-N 3.46Å; V278-S280 PolarHBondContact O-N 2.97Å
279Q56Low57.7Low179 Ų179117 Ų11784%0.83664%0.636SS**  trans-55.7110.9178.3-87.7179.8-15.400104.4N277 Y281N277-Q279 VanDerWaalsContact C-N 3.26Å; N277-Q279 PolarHBondContact O-N 3.21Å; Q279-Y281 PolarHBondContact O-N 3.12Å
280S62.1Low59.6Low73 Ų73117 Ų11751%0.5163%0.629SS.*  trans-48.4133.4-173.958.50000107.7V278 N282V278-S280 PolarHBondContact O-N 2.97Å; S280-N282 PolarHBondContact O-N 3.3Å
281Y65.6Low61.7Low165 Ų165111.5 Ų111.565%0.64760%0.601SS**SBendtrans-62.82.4173.7-71.8-87.3000112.3Q279Q279-Y281 PolarHBondContact O-N 3.12Å
282N68.5Low63.9Low59 Ų59107.5 Ų107.532%0.31659%0.591SS.*PPolyproline II helixtrans-77.9119.9177.9-64.7-13.1000109.5S280 E306S280-N282 PolarHBondContact O-N 3.3Å; N282-E306 PolarHBondContact ND2-OE1 2.88Å; N282-E306 PolarHBondContact ND2-OE2 3.28Å
283P78.3Confident65.9Low17 Ų17104.5 Ų104.511%0.1157%0.57CS.*PPolyproline II helixtrans-63.7155.3172.728.6-33.6000110.5Y287 R289 C303 P305P283-Y287 VanDerWaalsContact CB-O 3.26Å; P283-Y287 WeakPolarHBondContact CB-O 3.29Å; P283-Y287 WeakPolarHBondContact CG-O 3.49Å; P283-R289 HydrophobicContact CB-CB 3.93Å; P283-R289 HydrophobicContact CG-CB 4.23Å; P283-C303 HydrophobicContact CG-CB 4.4Å; P283-P305 HydrophobicContact CG-CB 4.09Å
284K74.7Confident67.7Low174 Ų174105.5 Ų105.576%0.75758%0.581SS**PPolyproline II helixtrans-56.6148.9170.5-69.3-178.2179.8178.60109.8G286 Y287K284-G286 PolarHBondContact O-N 2.91Å; K284-Y287 HydrophobicContact CB-CD2 3.99Å; K284-Y287 WeakPolarHBondContact O-CB 3.14Å; K284-Y287 PolarHBondContact O-N 2.87Å
285A73.9Confident69.6Low77 Ų77111.5 Ų111.564%0.63659%0.588SS**THydrogen-bonded Turntrans-49.3133.2171.800000110.7
286G74.2Confident71.1Confident58 Ų58108.2 Ų108.260%0.59857%0.57SS**THydrogen-bonded Turntrans86.7-2.4-17500000115.7K284K284-G286 PolarHBondContact O-N 2.91Å
287Y76.7Confident72.6Confident161 Ų161108.8 Ų108.863%0.63158%0.577SS**  trans-118.8141.6176.4-66.6-94.1000111.2P283 K284 P305P283-Y287 VanDerWaalsContact CB-O 3.26Å; P283-Y287 WeakPolarHBondContact CB-O 3.29Å; P283-Y287 WeakPolarHBondContact CG-O 3.49Å; K284-Y287 HydrophobicContact CB-CD2 3.99Å; K284-Y287 WeakPolarHBondContact O-CB 3.14Å; K284-Y287 PolarHBondContact O-N 2.87Å; Y287-P305 WeakPolarHBondContact O-CD 3.39Å
288I83.2Confident74Confident77 Ų77105.5 Ų105.540%0.39556%0.563SS.*  trans-103.4133.8166.9-59.9172.8000107.1F290 I302 L304 Y316I288-F290 HydrophobicContact CB-CE2 4.23Å; I288-F290 HydrophobicContact CG2-CD2 4.08Å; I288-F290 HydrophobicContact CG2-CE2 3.57Å; I288-F290 HydrophobicContact CG2-CZ 3.99Å; I288-I302 HydrophobicContact CG2-CG2 3.67Å; I288-L304 HydrophobicContact CD1-CD2 4.39Å; I288-L304 HydrophobicContact CG1-CD2 4.19Å; I288-L304 HydrophobicContact CG2-CD2 4.25Å; I288-Y316 HydrophobicContact CD1-CD1 4.29Å; I288-Y316 HydrophobicContact CD1-CE1 3.97Å; I288-Y316 HydrophobicContact CG1-CD1 4.44Å; I288-Y316 HydrophobicContact CG1-CE1 3.88Å
289R82.4Confident75.1Confident119 Ų119108.2 Ų108.245%0.44957%0.569SS.*EExtended strand (participates in β ladder)trans-105.9120.3175.7172.6-177.2-105.7-160-3.2109.7P283 V291 C303P283-R289 HydrophobicContact CB-CB 3.93Å; P283-R289 HydrophobicContact CG-CB 4.23Å; R289-V291 HydrophobicContact CG-CG2 3.7Å; R289-C303 HydrophobicContact CB-CB 4.15Å; R289-C303 PolarHBondContact N-O 2.79Å; R289-C303 PolarHBondContact O-N 3.26Å
290F85.2Confident76.3Confident149 Ų149104.3 Ų104.365%0.65456%0.557SS**EExtended strand (participates in β ladder)trans-95.5119.4169.9-68.8-92.4000108.9I288 I302I288-F290 HydrophobicContact CB-CE2 4.23Å; I288-F290 HydrophobicContact CG2-CD2 4.08Å; I288-F290 HydrophobicContact CG2-CE2 3.57Å; I288-F290 HydrophobicContact CG2-CZ 3.99Å; F290-I302 HydrophobicContact CD1-CD1 4.22Å; F290-I302 HydrophobicContact CD1-CG1 3.77Å; F290-I302 HydrophobicContact CD1-CG2 4.45Å; F290-I302 HydrophobicContact CE1-CD1 3.66Å; F290-I302 HydrophobicContact CE1-CG1 3.7Å; F290-I302 HydrophobicContact CE1-CG2 4.11Å; F290-I302 HydrophobicContact CZ-CG2 4.36Å
291V85.6Confident77.3Confident40 Ų40103 Ų10324%0.24255%0.546CS..EExtended strand (participates in β ladder)trans-113.1107.1177.3-168.80000108.4R289 L296 T300 V301R289-V291 HydrophobicContact CG-CG2 3.7Å; V291-L296 HydrophobicContact CB-CD1 4.13Å; V291-L296 HydrophobicContact CG1-CD1 3.59Å; V291-T300 CarbonylContact O-C 3.58Å; V291-T300 WeakPolarHBondContact O-CA 3.46Å; V291-V301 HydrophobicContact CB-CB 4.42Å; V291-V301 PolarHBondContact N-O 3.2Å; V291-V301 PolarHBondContact O-N 3.44Å
292S86.1Confident78.1Confident97 Ų97100.1 Ų100.168%0.67854%0.541SS*.EExtended strand (participates in β ladder)trans-101.4121.9170.3-172.30000108.8Q299S292-Q299 CarbonylContact C-O 3.55Å; S292-Q299 VanDerWaalsContact CA-O 3.27Å; S292-Q299 WeakPolarHBondContact CA-O 3.37Å; S292-Q299 PolarHBondContact OG-O 2.65Å
293S80.6Confident78.8Confident38 Ų3898.4 Ų98.427%0.26653%0.533SS..  trans-155.6138.3179.6179.80000111.5R295 L296 Q299S293-R295 PolarHBondContact O-N 3.39Å; S293-R295 PolarHBondContact OG-N 3.37Å; S293-R295 VanDerWaalsContact OG-N 3.1Å; S293-L296 PolarHBondContact O-N 3.48Å; S293-Q299 PolarHBondContact N-O 2.8Å
294S80.1Confident78.9Confident121 Ų121101 Ų10185%0.84655%0.546SS*.THydrogen-bonded Turntrans-67.8-14.4170.555.60000113.3
295R78.7Confident79Confident234 Ų23493.2 Ų93.288%0.88351%0.512SS*.THydrogen-bonded Turntrans-88-13178.5-58.6-176.5179.6-179.3-0.2113.3S293S293-R295 PolarHBondContact O-N 3.39Å; S293-R295 PolarHBondContact OG-N 3.37Å; S293-R295 VanDerWaalsContact OG-N 3.1Å
296L71.9Confident78.8Confident68 Ų6896 Ų9636%0.35651%0.513SS..SBendtrans-86.3145.9177.2-67.7171000109.7V291 S293 T298 V301V291-L296 HydrophobicContact CB-CD1 4.13Å; V291-L296 HydrophobicContact CG1-CD1 3.59Å; S293-L296 PolarHBondContact O-N 3.48Å; L296-T298 WeakPolarHBondContact CB-O 3.35Å; L296-T298 PolarHBondContact O-N 3.21Å; L296-V301 HydrophobicContact CB-CG2 4.46Å; L296-V301 HydrophobicContact CD1-CB 4.22Å; L296-V301 HydrophobicContact CD1-CG2 3.78Å
297S71.5Confident78.2Confident129 Ų12993.9 Ų93.990%0.90249%0.488SS*.SBendtrans-59.1-29.5178.258.80000112.5
298T70.9Confident77.5Confident78 Ų7893.5 Ų93.548%0.47950%0.497SS..SBendtrans-110.6132.4167.349.30000107.8L296 T300 V301L296-T298 WeakPolarHBondContact CB-O 3.35Å; L296-T298 PolarHBondContact O-N 3.21Å; T298-T300 PolarHBondContact O-N 2.97Å; T298-T300 PolarHBondContact OG1-O 2.76Å; T298-V301 WeakPolarHBondContact OG1-CG2 3.4Å
299Q71.7Confident76.2Confident160 Ų16094.5 Ų94.575%0.74850%0.503SS*.SBendtrans-57.2-22.5-176.5-68.5177.7-6.200112.7S292 S293S292-Q299 CarbonylContact C-O 3.55Å; S292-Q299 VanDerWaalsContact CA-O 3.27Å; S292-Q299 WeakPolarHBondContact CA-O 3.37Å; S292-Q299 PolarHBondContact OG-O 2.65Å; S293-Q299 PolarHBondContact N-O 2.8Å
300T81.2Confident75Confident96 Ų9694.8 Ų94.859%0.58951%0.513SS*.EExtended strand (participates in β ladder)trans-139.4129.8-179.739.50000110.2V291 T298V291-T300 CarbonylContact O-C 3.58Å; V291-T300 WeakPolarHBondContact O-CA 3.46Å; T298-T300 PolarHBondContact O-N 2.97Å; T298-T300 PolarHBondContact OG1-O 2.76Å
301V81.8Confident73.6Confident47 Ų4791.2 Ų91.229%0.28551%0.507SS..EExtended strand (participates in β ladder)trans-121.7133.7174.6176.30000108.3V291 L296 T298V291-V301 HydrophobicContact CB-CB 4.42Å; V291-V301 PolarHBondContact N-O 3.2Å; V291-V301 PolarHBondContact O-N 3.44Å; L296-V301 HydrophobicContact CB-CG2 4.46Å; L296-V301 HydrophobicContact CD1-CB 4.22Å; L296-V301 HydrophobicContact CD1-CG2 3.78Å; T298-V301 WeakPolarHBondContact OG1-CG2 3.4Å
302I83.7Confident72.1Confident104 Ų10491.8 Ų91.853%0.53351%0.509SS..EExtended strand (participates in β ladder)trans-106.4113.6173.6-53.8177.1000107.2I288 F290 L304I288-I302 HydrophobicContact CG2-CG2 3.67Å; F290-I302 HydrophobicContact CD1-CD1 4.22Å; F290-I302 HydrophobicContact CD1-CG1 3.77Å; F290-I302 HydrophobicContact CD1-CG2 4.45Å; F290-I302 HydrophobicContact CE1-CD1 3.66Å; F290-I302 HydrophobicContact CE1-CG1 3.7Å; F290-I302 HydrophobicContact CE1-CG2 4.11Å; F290-I302 HydrophobicContact CZ-CG2 4.36Å; I302-L304 HydrophobicContact CG2-CD2 4.37Å
303C82.5Confident70.6Confident23 Ų2392.3 Ų92.316%0.15550%0.498CS..EExtended strand (participates in β ladder)trans-93.6125.8173.4-51.50000109.1P283 R289P283-C303 HydrophobicContact CG-CB 4.4Å; R289-C303 HydrophobicContact CB-CB 4.15Å; R289-C303 PolarHBondContact N-O 2.79Å; R289-C303 PolarHBondContact O-N 3.26Å
304L80.5Confident69.3Low72 Ų7294 Ų9438%0.37750%0.504SS..PPolyproline II helixtrans-97.6146.2171.8-60.1175.5000108.9I288 I302 Y316 M317I288-L304 HydrophobicContact CD1-CD2 4.39Å; I288-L304 HydrophobicContact CG1-CD2 4.19Å; I288-L304 HydrophobicContact CG2-CD2 4.25Å; I302-L304 HydrophobicContact CG2-CD2 4.37Å; L304-Y316 HydrophobicContact CD2-CD1 4.33Å; L304-M317 HydrophobicContact CD1-CE 4.26Å
305P77.1Confident68.1Low9 Ų993.1 Ų93.16%0.05849%0.489CS..PPolyproline II helixtrans-66.2139178.926.3-30.2000109.8P283 Y287 T307 Y316P283-P305 HydrophobicContact CG-CB 4.09Å; Y287-P305 WeakPolarHBondContact O-CD 3.39Å; P305-T307 PolarHBondContact O-N 2.9Å; P305-T307 VanDerWaalsContact O-N 3.15Å; P305-Y316 HydrophobicContact CG-CE2 4Å
306E68.7Low66.9Low137 Ų13785.1 Ų85.164%0.6446%0.46SS*.  trans-66.6112.3166.4-84.1171.1-171.700107.6N282N282-E306 PolarHBondContact ND2-OE1 2.88Å; N282-E306 PolarHBondContact ND2-OE2 3.28Å
307T62.7Low66.1Low13 Ų1386.1 Ų86.18%0.0846%0.463CS..  trans-96.9116.1174.251.20000108.6P305 N309 D312 K313P305-T307 PolarHBondContact O-N 2.9Å; P305-T307 VanDerWaalsContact O-N 3.15Å; T307-N309 PolarHBondContact O-N 3.11Å; T307-D312 HydrophobicContact CG2-CB 3.37Å; T307-K313 VanDerWaalsContact O-CE 3.29Å; T307-K313 WeakPolarHBondContact O-CE 3.33Å; T307-K313 WeakPolarHBondContact OG1-CG 3.39Å; T307-K313 PolarHBondContact OG1-N 3.1Å
308D60.7Low65.1Low153 Ų15385.6 Ų85.682%0.81845%0.447SS*.SBendtrans-68.9-16.4175.7-63.7-31.7000111.8
309N56.4Low64.1Low97 Ų9786.6 Ų86.652%0.51945%0.453SS..SBendtrans-95.7119177.2-60.3-40.3000109.7T307 S311 D312T307-N309 PolarHBondContact O-N 3.11Å; N309-S311 PolarHBondContact O-N 3.4Å; N309-D312 PolarHBondContact O-N 2.77Å
310N57.7Low62.9Low126 Ų12686 Ų8667%0.67445%0.454SS*.Hα-helixtrans-51.5-23173.1-76.9-27.9000112.9
311S56.7Low61.5Low73 Ų7387.7 Ų87.751%0.5146%0.464SS..Hα-helixtrans-71.2-28.6176.559.10000115N309 D314 I315N309-S311 PolarHBondContact O-N 3.4Å; S311-D314 WeakPolarHBondContact O-CB 3.37Å; S311-I315 PolarHBondContact O-N 2.8Å
312D53.1Low60.2Low53 Ų5391 Ų9128%0.28347%0.473SS..Hα-helixtrans-92.2-21.6-177.3-69.7-10.2000111.6T307 N309 D314 I315 Y316T307-D312 HydrophobicContact CG2-CB 3.37Å; N309-D312 PolarHBondContact O-N 2.77Å; D312-D314 PolarHBondContact O-N 3.33Å; D312-I315 PolarHBondContact O-N 3.11Å; D312-I315 VanDerWaalsContact O-N 3.13Å; D312-I315 WeakPolarHBondContact OD1-CD1 3.4Å; D312-Y316 WeakPolarHBondContact O-CD2 3.38Å; D312-Y316 PolarHBondContact O-N 2.88Å
313K53.7Low58.9Low107 Ų10794 Ų9447%0.46549%0.488SS..Hα-helixtrans-57.8-37.3166.2-67.7-175.7-179.1164.40110.5T307 M317T307-K313 VanDerWaalsContact O-CE 3.29Å; T307-K313 WeakPolarHBondContact O-CE 3.33Å; T307-K313 WeakPolarHBondContact OG1-CG 3.39Å; T307-K313 PolarHBondContact OG1-N 3.1Å; K313-M317 VanDerWaalsContact O-CB 3.23Å; K313-M317 WeakPolarHBondContact O-CB 3.48Å; K313-M317 WeakPolarHBondContact O-CG 3.44Å; K313-M317 PolarHBondContact O-N 2.75Å; K313-M317 VanDerWaalsContact O-N 3.15Å
314D53.3Low57.9Low73 Ų73102.9 Ų102.939%0.3952%0.518SS..Hα-helixtrans-68.4-38.6175.1-77.6-12.3000111.3S311 D312 Y316 M317 H318S311-D314 WeakPolarHBondContact O-CB 3.37Å; D312-D314 PolarHBondContact O-N 3.33Å; D314-Y316 PolarHBondContact O-N 3.21Å; D314-M317 PolarHBondContact O-N 2.88Å; D314-H318 WeakPolarHBondContact CB-NE2 3.49Å; D314-H318 WeakPolarHBondContact O-CA 3.31Å; D314-H318 WeakPolarHBondContact O-CB 3.37Å; D314-H318 PolarHBondContact O-CD2 2.91Å; D314-H318 PolarHBondContact O-N 3.42Å
315I56.1Low57.2Low104 Ų104108.6 Ų108.653%0.53354%0.54SS..Hα-helixtrans-65.5-40179.7-64.5170.8000112.7S311 D312S311-I315 PolarHBondContact O-N 2.8Å; D312-I315 PolarHBondContact O-N 3.11Å; D312-I315 VanDerWaalsContact O-N 3.13Å; D312-I315 WeakPolarHBondContact OD1-CD1 3.4Å
316Y53.7Low56.9Low66 Ų66112.4 Ų112.426%0.25957%0.572SS.*Hα-helixtrans-81.8-16.5177.6-71.4-80.4000113.8I288 L304 P305 D312 D314 T319I288-Y316 HydrophobicContact CD1-CD1 4.29Å; I288-Y316 HydrophobicContact CD1-CE1 3.97Å; I288-Y316 HydrophobicContact CG1-CD1 4.44Å; I288-Y316 HydrophobicContact CG1-CE1 3.88Å; L304-Y316 HydrophobicContact CD2-CD1 4.33Å; P305-Y316 HydrophobicContact CG-CE2 4Å; D312-Y316 WeakPolarHBondContact O-CD2 3.38Å; D312-Y316 PolarHBondContact O-N 2.88Å; D314-Y316 PolarHBondContact O-N 3.21Å; Y316-T319 PolarHBondContact O-OG1 3.35Å
317M53.4Low57.5Low88 Ų88111.9 Ų111.943%0.43358%0.579SS.*Hα-helixtrans-98.8-21.8175.7-67.3-86.8129.300113.2L304 K313 D314 T319 Y322L304-M317 HydrophobicContact CD1-CE 4.26Å; K313-M317 VanDerWaalsContact O-CB 3.23Å; K313-M317 WeakPolarHBondContact O-CB 3.48Å; K313-M317 WeakPolarHBondContact O-CG 3.44Å; K313-M317 PolarHBondContact O-N 2.75Å; K313-M317 VanDerWaalsContact O-N 3.15Å; D314-M317 PolarHBondContact O-N 2.88Å; M317-T319 PolarHBondContact O-N 3.22Å; M317-Y322 HydrophobicContact CB-CE1 4.4Å; M317-Y322 HydrophobicContact CB-CE2 3.83Å; M317-Y322 WeakPolarHBondContact CB-OH 3.48Å; M317-Y322 WeakPolarHBondContact O-CD2 3.35Å; M317-Y322 WeakPolarHBondContact O-CE2 3.34Å; M317-Y322 HydrophobicContact SD-CE1 4.45Å
318H50.7Low58.3Low119 Ų119115.3 Ų115.355%0.55161%0.608SS**  trans-74.6-9.5179.7-79.7-40.1000114.1D314 N320D314-H318 WeakPolarHBondContact CB-NE2 3.49Å; D314-H318 WeakPolarHBondContact O-CA 3.31Å; D314-H318 WeakPolarHBondContact O-CB 3.37Å; D314-H318 PolarHBondContact O-CD2 2.91Å; D314-H318 PolarHBondContact O-N 3.42Å; H318-N320 PolarHBondContact O-N 2.82Å
319T51.6Low59.4Low98 Ų98113.8 Ų113.860%0.60161%0.607SS**SBendtrans-73.370.8162.450.30000110Y316 M317 V321Y316-T319 PolarHBondContact O-OG1 3.35Å; M317-T319 PolarHBondContact O-N 3.22Å; T319-V321 WeakPolarHBondContact O-CG2 3.43Å; T319-V321 PolarHBondContact O-N 2.99Å
320N46.2Very low60.9Low147 Ų147118.2 Ų118.279%0.78662%0.624SS**SBendtrans39.510.6156.6-69.6-36.2000121.4H318H318-N320 PolarHBondContact O-N 2.82Å
321V52.2Low62.2Low132 Ų132119.8 Ų119.880%0.863%0.631SS**  trans-103.833.8175.9-162.40000110.3T319 I323T319-V321 WeakPolarHBondContact O-CG2 3.43Å; T319-V321 PolarHBondContact O-N 2.99Å; V321-I323 PolarHBondContact O-N 3.35Å
322Y52.7Low63.5Low118 Ų118121.5 Ų121.546%0.46364%0.641SS.*  trans-71.4120.4150.5-72.1-79.3000106.5M317 R324M317-Y322 HydrophobicContact CB-CE1 4.4Å; M317-Y322 HydrophobicContact CB-CE2 3.83Å; M317-Y322 WeakPolarHBondContact CB-OH 3.48Å; M317-Y322 WeakPolarHBondContact O-CD2 3.35Å; M317-Y322 WeakPolarHBondContact O-CE2 3.34Å; M317-Y322 HydrophobicContact SD-CE1 4.45Å; Y322-R324 PolarHBondContact O-N 3.18Å
323I57.7Low65Low166 Ų166128.2 Ų128.285%0.85167%0.667SS**  trans-61.587.1156.4-57.9174.1000104.5V321 K325V321-I323 PolarHBondContact O-N 3.35Å; I323-K325 PolarHBondContact O-N 2.83Å
324R60.4Low66.6Low209 Ų209130.5 Ų130.579%0.78968%0.683SS**  trans-55.1117.1172.7-77.7-170.9-179.5-171.41.5104.2Y322 A326Y322-R324 PolarHBondContact O-N 3.18Å; R324-A326 PolarHBondContact O-N 2.94Å
325K66.5Low68.3Low193 Ų193136 Ų13684%0.83970%0.699SS**  trans-6782171.7-168.6-178.9-178.6-174.20106.4I323 T327I323-K325 PolarHBondContact O-N 2.83Å; K325-T327 PolarHBondContact O-N 3.18Å; K325-T327 VanDerWaalsContact O-N 3.12Å
326A71.7Confident70.2Confident88 Ų88135.9 Ų135.973%0.72770%0.699SS**  trans-64.7112.5171.700000105.8R324 A328R324-A326 PolarHBondContact O-N 2.94Å; A326-A328 PolarHBondContact O-N 3.32Å
327T80.1Confident72.2Confident127 Ų127133.1 Ų133.178%0.77969%0.689SS**PPolyproline II helixtrans-61.812416645.30000106.8K325K325-T327 PolarHBondContact O-N 3.18Å; K325-T327 VanDerWaalsContact O-N 3.12Å
328A80.2Confident74.1Confident85 Ų85133.2 Ų133.270%0.70269%0.691SS**PPolyproline II helixtrans-54.7140.917500000109.1A326A326-A328 PolarHBondContact O-N 3.32Å
329P84.4Confident76.1Confident121 Ų121130.5 Ų130.579%0.78668%0.68SS**PPolyproline II helixtrans-54.5147.2174.222.2-31.3000110I331P329-I331 PolarHBondContact O-N 3.36Å
330E86.7Confident78Confident190 Ų190129.1 Ų129.189%0.88869%0.685SS**PPolyproline II helixtrans-54.9136.5-179.6-66.2-173.8174.900110.7
331I84.3Confident80.2Confident158 Ų158124.6 Ų124.681%0.8166%0.664SS**PPolyproline II helixtrans-60.5125.4-177.7-58169.9000107.9P329 K333P329-I331 PolarHBondContact O-N 3.36Å; I331-K333 PolarHBondContact O-N 2.9Å
332P84.4Confident82.1Confident110 Ų110121 Ų12171%0.71465%0.653SS**PPolyproline II helixtrans-59.7134.4-179.923.2-32.5000110.2L334P332-L334 PolarHBondContact O-N 2.73Å
333K85.9Confident84Confident194 Ų194118.6 Ų118.684%0.84365%0.653SS**PPolyproline II helixtrans-55.4130.4178.2-63.7-179.1-178.3-179.90109.8I331 R335I331-K333 PolarHBondContact O-N 2.9Å; K333-R335 PolarHBondContact O-N 3.18Å
334L85.6Confident85.7Confident154 Ų154113.2 Ų113.281%0.80663%0.633SS**PPolyproline II helixtrans-58.9120176.8-71.3172000109.6P332P332-L334 PolarHBondContact O-N 2.73Å
335R90.7Very high87.3Confident190 Ų190107.8 Ų107.872%0.71761%0.613SS**PPolyproline II helixtrans-84.9127.4172.6-66-73-174.9154.60.7108.7K333 R345K333-R335 PolarHBondContact O-N 3.18Å; R335-R345 HydrophobicContact CB-CB 4.13Å; R335-R345 VanDerWaalsContact O-CB 3.26Å; R335-R345 WeakPolarHBondContact O-CB 3.14Å; R335-R345 PolarHBondContact O-N 3.17Å
336L94.7Very high88.7Confident101 Ų101108.4 Ų108.453%0.52961%0.61SS.*BIsolated β-bridgetrans-88.7162.6173.7-60.9178.7000110.3S355L336-S355 PolarHBondContact O-OG 3.47Å
337C95.4Very high89.8Confident7 Ų7107.6 Ų107.65%0.04759%0.589CS.*PPolyproline II helixtrans-64.5129.7174.7-177.90000112.3M339 G340 C341 C343 C357C337-M339 PolarHBondContact O-N 3.27Å; C337-M339 VanDerWaalsContact O-N 3.16Å; C337-G340 PolarHBondContact O-N 3.13Å; C337-G340 VanDerWaalsContact O-N 3.12Å; C337-C341 HydrophobicContact CB-CB 4.42Å; C337-C341 WeakPolarHBondContact CB-SG 3.29Å; C337-C343 PolarHBondContact N-O 2.76Å; C337-C357 HydrophobicContact CB-CB 3.77Å; C337-C357 PolarHBondContact SG-N 2.81Å; C337-C357 VanDerWaalsContact SG-N 3.42Å
338D93.7Very high90.5Very high91 Ų91106.4 Ų106.449%0.48757%0.574SS.*THydrogen-bonded Turntrans-68.7-13.5-178.9-63-19.7000113.2G340 R354 S355D338-G340 PolarHBondContact O-N 2.94Å; D338-R354 HydrophobicContact CB-CB 4.17Å; D338-R354 HydrophobicContact CB-CG 4.35Å; D338-R354 VanDerWaalsContact OD2-CA 3.31Å; D338-R354 WeakPolarHBondContact OD2-CA 3.44Å; D338-R354 WeakPolarHBondContact OD2-CB 3.23Å; D338-S355 PolarHBondContact N-O 3.28Å; D338-S355 PolarHBondContact N-OG 3.45Å; D338-S355 PolarHBondContact OD1-OG 3.2Å; D338-S355 PolarHBondContact OD2-N 3.25Å; D338-S355 PolarHBondContact OD2-OG 3.43Å
339M92.8Very high91.2Very high62 Ų62102.4 Ų102.431%0.30554%0.541SS..THydrogen-bonded Turntrans-77.4-0.3173.9-60.5-52.9-63.800113.4C337 C341 L356 C361 A364 N365C337-M339 PolarHBondContact O-N 3.27Å; C337-M339 VanDerWaalsContact O-N 3.16Å; M339-C341 VanDerWaalsContact C-N 3.34Å; M339-L356 HydrophobicContact CG-CD2 3.53Å; M339-L356 HydrophobicContact SD-CD2 4.32Å; M339-C361 HydrophobicContact CB-CB 4.07Å; M339-C361 HydrophobicContact CG-CB 3.74Å; M339-A364 HydrophobicContact CE-CB 3.74Å; M339-N365 HydrophobicContact CE-CB 4.35Å; M339-N365 HydrophobicContact CG-CB 4.42Å; M339-N365 HydrophobicContact SD-CB 3.66Å
340G91.6Very high91.6Very high69 Ų69101.9 Ų101.971%0.71155%0.547SS*.SBendtrans76.417.8-179.300000114.2C337 D338 G342C337-G340 PolarHBondContact O-N 3.13Å; C337-G340 VanDerWaalsContact O-N 3.12Å; D338-G340 PolarHBondContact O-N 2.94Å; G340-G342 PolarHBondContact O-N 3.46Å
341C93.1Very high91.9Very high51 Ų51101 Ų10135%0.34554%0.54SS..  trans-68.8-11178.979.90000113.5C337 M339 C343 C357C337-C341 HydrophobicContact CB-CB 4.42Å; C337-C341 WeakPolarHBondContact CB-SG 3.29Å; M339-C341 VanDerWaalsContact C-N 3.34Å; C341-C343 PolarHBondContact O-N 3.28Å; C341-C343 VanDerWaalsContact O-N 3.09Å; C341-C343 WeakPolarHBondContact SG-CB 3.38Å; C341-C343 PolarHBondContact SG-N 2.91Å; C341-C343 VanDerWaalsContact SG-N 3.4Å; C341-C357 WeakPolarHBondContact CB-SG 3.31Å; C341-C357 WeakPolarHBondContact SG-CB 3.16Å; C341-C357 CovalentContact SG-SG 2.1Å; C341-C357 PolarHBondContact SG-SG 3.18Å
342G90.9Very high92.2Very high56 Ų5694.7 Ų94.758%0.57751%0.509SS*.  trans72-8.4-175.300000115.3G340G340-G342 PolarHBondContact O-N 3.46Å
343C93.3Very high92.7Very high69 Ų6991.4 Ų91.447%0.46650%0.495SS..SBendtrans-83153.5176.8-57.70000112.1C337 C341 C357C337-C343 PolarHBondContact N-O 2.76Å; C341-C343 PolarHBondContact O-N 3.28Å; C341-C343 VanDerWaalsContact O-N 3.09Å; C341-C343 WeakPolarHBondContact SG-CB 3.38Å; C341-C343 PolarHBondContact SG-N 2.91Å; C341-C343 VanDerWaalsContact SG-N 3.4Å; C343-C357 HydrophobicContact CB-CB 3.61Å
344A94Very high93Very high52 Ų5286.5 Ų86.543%0.4347%0.471SS..BIsolated β-bridgetrans-60.5143.417300000111.9R346A344-R346 PolarHBondContact O-N 2.85Å
345R93.5Very high93.5Very high96 Ų9679.4 Ų79.436%0.36244%0.435SS..PPolyproline II helixtrans-57.1131.2174.4173.3-172.4165.6128.2-16.6109.8R335 E348 S355R335-R345 HydrophobicContact CB-CB 4.13Å; R335-R345 VanDerWaalsContact O-CB 3.26Å; R335-R345 WeakPolarHBondContact O-CB 3.14Å; R335-R345 PolarHBondContact O-N 3.17Å; R345-E348 IonicContact CZ-OE2 3.17Å; R345-E348 IonicContact NH1-OE2 2.8Å; R345-E348 PolarHBondContact NH1-OE2 3.42Å; R345-E348 IonicContact NH2-OE2 2.65Å; R345-E348 PolarHBondContact NH2-OE2 2.83Å; R345-S355 VanDerWaalsContact CD-CB 3.47Å
346R94.7Very high93.7Very high206 Ų20670.3 Ų70.378%0.77740%0.4SS*.  trans-104.8-35.2171.4-64.8-164.7-174.1-179.8-2.7112.8A344 L356 C357A344-R346 PolarHBondContact O-N 2.85Å; R346-L356 PolarHBondContact N-O 2.89Å; R346-C357 WeakPolarHBondContact CD-O 3.43Å; R346-C357 WeakPolarHBondContact CG-O 3.5Å; R346-C357 PolarHBondContact NE-O 3.33Å
347Y95Very high93.8Very high71 Ų7165.9 Ų65.928%0.27838%0.377SS..EExtended strand (participates in β ladder)trans-153.3170.6-179.656.9-85.8000111.2L356 S358 L359 Y362Y347-L356 HydrophobicContact CD2-CB 4.19Å; Y347-L356 HydrophobicContact CD2-CD1 4.49Å; Y347-L356 HydrophobicContact CE1-CB 4.37Å; Y347-L356 HydrophobicContact CE2-CB 3.72Å; Y347-L356 HydrophobicContact CE2-CD1 3.76Å; Y347-L356 HydrophobicContact CE2-CG 4.39Å; Y347-L356 PolarHBondContact N-O 3.42Å; Y347-L356 PolarHBondContact O-N 3.29Å; Y347-S358 PolarHBondContact OH-O 2.81Å; Y347-L359 PolarHBondContact OH-N 3.46Å; Y347-Y362 HydrophobicContact CE2-CD2 4.22Å; Y347-Y362 WeakPolarHBondContact OH-CB 3.31Å
348E95.5Very high93.8Very high102 Ų10267.2 Ų67.248%0.47739%0.387SS..EExtended strand (participates in β ladder)trans-103.1141.2168.5-150159.8133.800110.2R345 A350 G353 R354R345-E348 IonicContact CZ-OE2 3.17Å; R345-E348 IonicContact NH1-OE2 2.8Å; R345-E348 PolarHBondContact NH1-OE2 3.42Å; R345-E348 IonicContact NH2-OE2 2.65Å; R345-E348 PolarHBondContact NH2-OE2 2.83Å; E348-A350 PolarHBondContact O-N 3.41Å; E348-G353 VanDerWaalsContact CG-C 3.49Å; E348-G353 WeakPolarHBondContact CG-O 3.45Å; E348-G353 WeakPolarHBondContact OE1-CA 3.41Å; E348-R354 CarbonylContact C-O 3.56Å; E348-R354 WeakPolarHBondContact CA-O 3.42Å
349C94.3Very high93.9Very high1 Ų169 Ų691%0.00740%0.396CS..  trans-74.1117167.1-1760000109.7K351 T352 G353 R354 L356 Y362C349-K351 PolarHBondContact O-N 3.43Å; C349-T352 WeakPolarHBondContact CB-OG1 3.15Å; C349-T352 PolarHBondContact O-N 3.05Å; C349-G353 WeakPolarHBondContact O-CA 3.44Å; C349-G353 PolarHBondContact O-N 3.22Å; C349-R354 PolarHBondContact N-O 3.07Å; C349-L356 HydrophobicContact CB-CD1 3.76Å; C349-Y362 HydrophobicContact CB-CD2 4.35Å; C349-Y362 HydrophobicContact CB-CE2 4.36Å; C349-Y362 WeakPolarHBondContact SG-CE2 3.26Å
350A93.9Very high94Very high110 Ų11070 Ų7091%0.90941%0.409SS*.THydrogen-bonded Turntrans-58.6-30.7176.300000113.3E348E348-A350 PolarHBondContact O-N 3.41Å
351K91.6Very high94.2Very high170 Ų17067.3 Ų67.374%0.73938%0.379SS*.THydrogen-bonded Turntrans-77.9-31.9-179.8-67.7-169.5177.5-170.60114.1C349 L366C349-K351 PolarHBondContact O-N 3.43Å; K351-L366 HydrophobicContact CB-CD2 4.49Å; K351-L366 HydrophobicContact CD-CD2 4.15Å
352T92.6Very high94.3Very high26 Ų2668.3 Ų68.316%0.1638%0.376CS..THydrogen-bonded Turntrans-120.6-5.8-171.976.50000114C349 R354 N365 F369C349-T352 WeakPolarHBondContact CB-OG1 3.15Å; C349-T352 PolarHBondContact O-N 3.05Å; T352-R354 PolarHBondContact O-N 2.98Å; T352-R354 VanDerWaalsContact O-N 3.1Å; T352-R354 PolarHBondContact OG1-N 3.32Å; T352-N365 WeakPolarHBondContact CG2-ND2 3.43Å; T352-N365 PolarHBondContact OG1-ND2 3.03Å; T352-F369 HydrophobicContact CG2-CB 4.2Å; T352-F369 HydrophobicContact CG2-CD1 4.45Å; T352-F369 HydrophobicContact CG2-CD2 3.45Å; T352-F369 VanDerWaalsContact CG2-CD2 3.45Å; T352-F369 HydrophobicContact CG2-CE2 3.79Å; T352-F369 HydrophobicContact CG2-CG 3.8Å; T352-F369 HydrophobicContact CG2-CZ 4.45Å
353G93.3Very high94.5Very high41 Ų4172.8 Ų72.842%0.42338%0.38SS..  trans64.87.3-174.400000115.2E348 C349E348-G353 VanDerWaalsContact CG-C 3.49Å; E348-G353 WeakPolarHBondContact CG-O 3.45Å; E348-G353 WeakPolarHBondContact OE1-CA 3.41Å; C349-G353 WeakPolarHBondContact O-CA 3.44Å; C349-G353 PolarHBondContact O-N 3.22Å
354R93.5Very high94.5Very high91 Ų9171.5 Ų71.534%0.34337%0.374SS..  trans-86.2143.8-174.3-71.2-165.6-177158.9-2.2112.5D338 E348 C349 T352 N365D338-R354 HydrophobicContact CB-CB 4.17Å; D338-R354 HydrophobicContact CB-CG 4.35Å; D338-R354 VanDerWaalsContact OD2-CA 3.31Å; D338-R354 WeakPolarHBondContact OD2-CA 3.44Å; D338-R354 WeakPolarHBondContact OD2-CB 3.23Å; E348-R354 CarbonylContact C-O 3.56Å; E348-R354 WeakPolarHBondContact CA-O 3.42Å; C349-R354 PolarHBondContact N-O 3.07Å; T352-R354 PolarHBondContact O-N 2.98Å; T352-R354 VanDerWaalsContact O-N 3.1Å; T352-R354 PolarHBondContact OG1-N 3.32Å; R354-N365 WeakPolarHBondContact CD-OD1 3.5Å
355S95Very high94.4Very high5 Ų569 Ų694%0.03535%0.353CS..EExtended strand (participates in β ladder)trans-74.5127.8173.576.40000111.5L336 D338 R345L336-S355 PolarHBondContact O-OG 3.47Å; D338-S355 PolarHBondContact N-O 3.28Å; D338-S355 PolarHBondContact N-OG 3.45Å; D338-S355 PolarHBondContact OD1-OG 3.2Å; D338-S355 PolarHBondContact OD2-N 3.25Å; D338-S355 PolarHBondContact OD2-OG 3.43Å; R345-S355 VanDerWaalsContact CD-CB 3.47Å
356L95.8Very high94.4Very high0 Ų067.2 Ų67.20%035%0.351CS..EExtended strand (participates in β ladder)trans-131.2143.7-173.8-61.6173.2000112.5M339 R346 Y347 C349 C361 Y362 N365M339-L356 HydrophobicContact CG-CD2 3.53Å; M339-L356 HydrophobicContact SD-CD2 4.32Å; R346-L356 PolarHBondContact N-O 2.89Å; Y347-L356 HydrophobicContact CD2-CB 4.19Å; Y347-L356 HydrophobicContact CD2-CD1 4.49Å; Y347-L356 HydrophobicContact CE1-CB 4.37Å; Y347-L356 HydrophobicContact CE2-CB 3.72Å; Y347-L356 HydrophobicContact CE2-CD1 3.76Å; Y347-L356 HydrophobicContact CE2-CG 4.39Å; Y347-L356 PolarHBondContact N-O 3.42Å; Y347-L356 PolarHBondContact O-N 3.29Å; C349-L356 HydrophobicContact CB-CD1 3.76Å; L356-C361 HydrophobicContact CD2-CB 3.94Å; L356-Y362 HydrophobicContact CD1-CD2 3.72Å; L356-Y362 HydrophobicContact CD1-CG 4.27Å; L356-N365 HydrophobicContact CD1-CB 4.45Å; L356-N365 HydrophobicContact CD2-CB 4.07Å
357C96.3Very high94.2Very high7 Ų762.1 Ų62.15%0.04735%0.347CS..SBendtrans-93.9-30.9179620000113.5C337 C341 C343 R346 C361C337-C357 HydrophobicContact CB-CB 3.77Å; C337-C357 PolarHBondContact SG-N 2.81Å; C337-C357 VanDerWaalsContact SG-N 3.42Å; C341-C357 WeakPolarHBondContact CB-SG 3.31Å; C341-C357 WeakPolarHBondContact SG-CB 3.16Å; C341-C357 CovalentContact SG-SG 2.1Å; C341-C357 PolarHBondContact SG-SG 3.18Å; C343-C357 HydrophobicContact CB-CB 3.61Å; R346-C357 WeakPolarHBondContact CD-O 3.43Å; R346-C357 WeakPolarHBondContact CG-O 3.5Å; R346-C357 PolarHBondContact NE-O 3.33Å; C357-C361 PolarHBondContact SG-SG 3.35Å
358S95.9Very high93.7Very high36 Ų3661.7 Ų61.725%0.25236%0.358SS..SBendtrans-154.2160.9-169.164.90000112.2Y347 S360 C361 Y362Y347-S358 PolarHBondContact OH-O 2.81Å; S358-S360 PolarHBondContact O-N 3.42Å; S358-S360 PolarHBondContact OG-OG 2.97Å; S358-C361 WeakPolarHBondContact O-CB 3.4Å; S358-C361 PolarHBondContact O-N 3.48Å; S358-C361 VanDerWaalsContact O-N 3.07Å; S358-C361 PolarHBondContact OG-N 3.43Å; S358-C361 PolarHBondContact OG-SG 3.12Å; S358-C361 VanDerWaalsContact OG-SG 3.4Å; S358-Y362 PolarHBondContact O-N 3.16Å
359L95.2Very high92.9Very high127 Ų12761 Ų6167%0.66535%0.354SS*.Hα-helixtrans-60.5-28.5174.2-71.1174.8000112.8Y347 Y362 K363Y347-L359 PolarHBondContact OH-N 3.46Å; L359-Y362 PolarHBondContact O-N 2.91Å; L359-K363 WeakPolarHBondContact O-CG 3.41Å; L359-K363 PolarHBondContact O-N 3.4Å
360S95.4Very high91.9Very high85 Ų8566.1 Ų66.159%0.59439%0.387SS*.Hα-helixtrans-63.6-42.4172.552.90000111.7S358 Y362 K363 A364S358-S360 PolarHBondContact O-N 3.42Å; S358-S360 PolarHBondContact OG-OG 2.97Å; S360-Y362 VanDerWaalsContact C-N 3.35Å; S360-K363 PolarHBondContact O-N 3.31Å; S360-A364 WeakPolarHBondContact O-CB 3.17Å; S360-A364 PolarHBondContact O-N 3.4Å
361C95.6Very high90.5Very high12 Ų1265.6 Ų65.68%0.08138%0.376CS..Hα-helixtrans-66.5-36.4174-67.70000111.9M339 L356 C357 S358 A364 N365M339-C361 HydrophobicContact CB-CB 4.07Å; M339-C361 HydrophobicContact CG-CB 3.74Å; L356-C361 HydrophobicContact CD2-CB 3.94Å; C357-C361 PolarHBondContact SG-SG 3.35Å; S358-C361 WeakPolarHBondContact O-CB 3.4Å; S358-C361 PolarHBondContact O-N 3.48Å; S358-C361 VanDerWaalsContact O-N 3.07Å; S358-C361 PolarHBondContact OG-N 3.43Å; S358-C361 PolarHBondContact OG-SG 3.12Å; S358-C361 VanDerWaalsContact OG-SG 3.4Å; C361-A364 PolarHBondContact O-N 2.87Å; C361-N365 WeakPolarHBondContact O-CB 3.49Å; C361-N365 PolarHBondContact O-N 2.72Å
362Y94.8Very high89Confident71 Ų7163.9 Ų63.928%0.27838%0.38SS..Hα-helixtrans-62.4-45.1174.1178.4-99.8000112.8Y347 C349 L356 S358 L359 S360 N365 L366Y347-Y362 HydrophobicContact CE2-CD2 4.22Å; Y347-Y362 WeakPolarHBondContact OH-CB 3.31Å; C349-Y362 HydrophobicContact CB-CD2 4.35Å; C349-Y362 HydrophobicContact CB-CE2 4.36Å; C349-Y362 WeakPolarHBondContact SG-CE2 3.26Å; L356-Y362 HydrophobicContact CD1-CD2 3.72Å; L356-Y362 HydrophobicContact CD1-CG 4.27Å; S358-Y362 PolarHBondContact O-N 3.16Å; L359-Y362 PolarHBondContact O-N 2.91Å; S360-Y362 VanDerWaalsContact C-N 3.35Å; Y362-N365 WeakPolarHBondContact O-CB 3.33Å; Y362-N365 PolarHBondContact O-N 3.17Å; Y362-L366 HydrophobicContact CD1-CD1 3.96Å; Y362-L366 HydrophobicContact CD1-CG 4.38Å; Y362-L366 HydrophobicContact CE1-CD1 3.3Å; Y362-L366 HydrophobicContact CE1-CG 4.04Å; Y362-L366 HydrophobicContact CE2-CD1 4.34Å; Y362-L366 HydrophobicContact CE2-CD2 4.47Å; Y362-L366 HydrophobicContact CE2-CG 4.35Å; Y362-L366 WeakPolarHBondContact O-CG 3.2Å; Y362-L366 PolarHBondContact O-N 3.28Å
363K94.6Very high87.3Confident151 Ų15169.1 Ų69.166%0.65741%0.406SS*.Hα-helixtrans-62.3-46.3176.4-71.6179179.2-174.30111.6L359 S360 N365 L366 S367L359-K363 WeakPolarHBondContact O-CG 3.41Å; L359-K363 PolarHBondContact O-N 3.4Å; S360-K363 PolarHBondContact O-N 3.31Å; K363-N365 VanDerWaalsContact C-N 3.29Å; K363-N365 PolarHBondContact O-N 2.95Å; K363-L366 PolarHBondContact O-N 3.05Å; K363-S367 PolarHBondContact O-N 3.46Å; K363-S367 PolarHBondContact O-OG 2.1Å
364A93.3Very high85.3Confident41 Ų4172.6 Ų72.634%0.33942%0.424SS..Hα-helixtrans-61.5-38.5176.400000112.2M339 S360 C361 S367 A368M339-A364 HydrophobicContact CE-CB 3.74Å; S360-A364 WeakPolarHBondContact O-CB 3.17Å; S360-A364 PolarHBondContact O-N 3.4Å; C361-A364 PolarHBondContact O-N 2.87Å; A364-S367 WeakPolarHBondContact CA-OG 3.26Å; A364-S367 PolarHBondContact O-N 3.16Å; A364-S367 PolarHBondContact O-OG 3.09Å; A364-A368 WeakPolarHBondContact O-CB 3.48Å; A364-A368 PolarHBondContact O-N 3.28Å; A364-A368 VanDerWaalsContact O-N 3.13Å
365N93.8Very high82.7Confident0 Ų077.4 Ų77.40%046%0.463CS..Hα-helixtrans-64.9-45175.6-178.951.5000112M339 T352 R354 L356 C361 Y362 K363 A368 F369M339-N365 HydrophobicContact CE-CB 4.35Å; M339-N365 HydrophobicContact CG-CB 4.42Å; M339-N365 HydrophobicContact SD-CB 3.66Å; T352-N365 WeakPolarHBondContact CG2-ND2 3.43Å; T352-N365 PolarHBondContact OG1-ND2 3.03Å; R354-N365 WeakPolarHBondContact CD-OD1 3.5Å; L356-N365 HydrophobicContact CD1-CB 4.45Å; L356-N365 HydrophobicContact CD2-CB 4.07Å; C361-N365 WeakPolarHBondContact O-CB 3.49Å; C361-N365 PolarHBondContact O-N 2.72Å; Y362-N365 WeakPolarHBondContact O-CB 3.33Å; Y362-N365 PolarHBondContact O-N 3.17Å; K363-N365 VanDerWaalsContact C-N 3.29Å; K363-N365 PolarHBondContact O-N 2.95Å; N365-A368 PolarHBondContact O-N 3.48Å; N365-F369 PolarHBondContact O-N 3.2Å
366L92Very high82.1Confident59 Ų5981 Ų8131%0.30949%0.485SS..Hα-helixtrans-66.3-36.2176.1-70.5-174.9000112.8K351 Y362 K363 A368 F369K351-L366 HydrophobicContact CB-CD2 4.49Å; K351-L366 HydrophobicContact CD-CD2 4.15Å; Y362-L366 HydrophobicContact CD1-CD1 3.96Å; Y362-L366 HydrophobicContact CD1-CG 4.38Å; Y362-L366 HydrophobicContact CE1-CD1 3.3Å; Y362-L366 HydrophobicContact CE1-CG 4.04Å; Y362-L366 HydrophobicContact CE2-CD1 4.34Å; Y362-L366 HydrophobicContact CE2-CD2 4.47Å; Y362-L366 HydrophobicContact CE2-CG 4.35Å; Y362-L366 WeakPolarHBondContact O-CG 3.2Å; Y362-L366 PolarHBondContact O-N 3.28Å; K363-L366 PolarHBondContact O-N 3.05Å; L366-A368 VanDerWaalsContact C-N 3.25Å; L366-A368 PolarHBondContact O-N 3.18Å; L366-F369 PolarHBondContact O-N 3.23Å
367S90.5Very high81.3Confident99 Ų9985.3 Ų85.369%0.69251%0.51SS*.Hα-helixtrans-68.9-25.9175.955.10000113.1K363 A364K363-S367 PolarHBondContact O-N 3.46Å; K363-S367 PolarHBondContact O-OG 2.1Å; A364-S367 WeakPolarHBondContact CA-OG 3.26Å; A364-S367 PolarHBondContact O-N 3.16Å; A364-S367 PolarHBondContact O-OG 3.09Å
368A84.5Confident80.5Confident62 Ų6289.6 Ų89.651%0.51254%0.536SS..Hα-helixtrans-85-19.7179.200000113.3A364 N365 L366 P370A364-A368 WeakPolarHBondContact O-CB 3.48Å; A364-A368 PolarHBondContact O-N 3.28Å; A364-A368 VanDerWaalsContact O-N 3.13Å; N365-A368 PolarHBondContact O-N 3.48Å; L366-A368 VanDerWaalsContact C-N 3.25Å; L366-A368 PolarHBondContact O-N 3.18Å; A368-P370 WeakPolarHBondContact O-CD 3.46Å
369F79.4Confident79.6Confident87 Ų8792.8 Ų92.838%0.38255%0.553SS.*SBendtrans-9996173.7-87.6-86.1000109.6T352 N365 L366 S371T352-F369 HydrophobicContact CG2-CB 4.2Å; T352-F369 HydrophobicContact CG2-CD1 4.45Å; T352-F369 HydrophobicContact CG2-CD2 3.45Å; T352-F369 VanDerWaalsContact CG2-CD2 3.45Å; T352-F369 HydrophobicContact CG2-CE2 3.79Å; T352-F369 HydrophobicContact CG2-CG 3.8Å; T352-F369 HydrophobicContact CG2-CZ 4.45Å; N365-F369 PolarHBondContact O-N 3.2Å; L366-F369 PolarHBondContact O-N 3.23Å; F369-S371 PolarHBondContact O-N 3.2Å; F369-S371 VanDerWaalsContact O-N 3.11Å
370P74.2Confident78.6Confident108 Ų10890.6 Ų90.670%0.70155%0.546SS*.  trans-60.4120.5164.926.2-31.2000106.9A368 T372A368-P370 WeakPolarHBondContact O-CD 3.46Å; P370-T372 VanDerWaalsContact C-N 3.31Å; P370-T372 PolarHBondContact O-N 2.91Å
371S64Low77.5Confident99 Ų9991 Ų9169%0.69254%0.543SS*.  trans-5796.9172.546.30000108.2F369 I373F369-S371 PolarHBondContact O-N 3.2Å; F369-S371 VanDerWaalsContact O-N 3.11Å; S371-I373 PolarHBondContact O-N 3.37Å
372T59.2Low76.2Confident134 Ų13496.6 Ų96.682%0.82258%0.576SS**  trans-67.389.8158.847.80000105.1P370 S374P370-T372 VanDerWaalsContact C-N 3.31Å; P370-T372 PolarHBondContact O-N 2.91Å; T372-S374 PolarHBondContact O-N 3.46Å
373I57Low74.8Confident136 Ų13698.6 Ų98.670%0.69760%0.598SS**  trans-61.296163.9-62.6169000104.2S371 T375S371-I373 PolarHBondContact O-N 3.37Å; I373-T375 PolarHBondContact O-N 3.4Å
374S52.4Low73.1Confident114 Ų11494.3 Ų94.380%0.79759%0.594SS**  trans-66.6112.9158-169.80000104.8T372T372-S374 PolarHBondContact O-N 3.46Å
375T37.4Very low71.3Confident192 Ų19299.1 Ų99.1100%1.17862%0.617SS**  trans-76.50162.3-23.80000108.5I373I373-T375 PolarHBondContact O-N 3.4Å

Retrieved 375 of 375 residues in 186.6 ms (Link to these results)