A0A087YP86_POEFO Loading...

FYN-binding protein 1

Acts as an adapter protein of the FYN and LCP2 signaling cascades in T-cells. May play a role in linking T-cell signaling to remodeling of the actin cytoskeleton. Modulates the expression of IL2. Involved in platelet activation. Prevents the degradation of SKAP1 and SKAP2. May be involved in high affinity immunoglobulin epsilon receptor signaling in mast cells.

AlphaFold DB , UniProt , Accession A0A087YP86, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 730 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
1M49.1Very low52.7Low250 Ų250139.5 Ų139.5100%1.23275%0.746SS**  0148.70-65.8170.3179.100106.8
2A46.1Very low52.7Low86 Ų86134.4 Ų134.471%0.71174%0.738SS**  cis-117.1-127.910.600000112.9
3N50.9Low52.3Low159 Ų159136.9 Ų136.985%0.8573%0.73SS**  trans68.755.7167.3-54.2-6.6000117.8
4K56.9Low52.2Low208 Ų208139.3 Ų139.390%0.90473%0.731SS**  trans-131.78.9166-84.2-170.2174.7177.60116
5T49.4Very low51.9Low126 Ų126142.4 Ų142.477%0.77374%0.74SS**SBendtrans-96.9-32.4-171.6-35.80000113.9
6D55.5Low51.3Low113 Ų113139.7 Ų139.760%0.60475%0.745SS**Hα-helixtrans-82-30.2-155.9-154.817.3000114.9K8 A9 M10D6-K8 PolarHBondContact O-N 3.19Å; D6-K8 VanDerWaalsContact O-N 3.14Å; D6-A9 PolarHBondContact O-N 3.42Å; D6-M10 PolarHBondContact O-N 3.04Å
7V57.1Low50.5Low111 Ų111136.5 Ų136.567%0.67375%0.753SS**Hα-helixtrans-58.8-32.2-179.7-177.40000112.2M10 M11V7-M10 WeakPolarHBondContact O-CB 3.4Å; V7-M10 PolarHBondContact O-N 2.61Å; V7-M11 PolarHBondContact O-N 2.7Å
8K53.1Low49.6Very low186 Ų186133.1 Ų133.181%0.80975%0.754SS**Hα-helixtrans-76.5-29.8179.1-165.9174.2-178.7-177.30112.9D6 M10D6-K8 PolarHBondContact O-N 3.19Å; D6-K8 VanDerWaalsContact O-N 3.14Å; K8-M10 VanDerWaalsContact C-N 3.35Å
9A53.6Low48.8Very low58 Ų58131.4 Ų131.448%0.47976%0.759SS.*Hα-helixtrans-70.3-36.2170.300000110.9D6 M11 A12D6-A9 PolarHBondContact O-N 3.42Å; A9-M11 VanDerWaalsContact C-N 3.31Å; A9-M11 PolarHBondContact O-N 3.36Å; A9-A12 PolarHBondContact O-N 3.06Å; A9-A12 VanDerWaalsContact O-N 3.11Å
10M53.4Low48.1Very low84 Ų84130.3 Ų130.341%0.41476%0.759SS.*Hα-helixtrans-62.7-32.1-177.8-145.7174.5-64.400114.1D6 V7 K8D6-M10 PolarHBondContact O-N 3.04Å; V7-M10 WeakPolarHBondContact O-CB 3.4Å; V7-M10 PolarHBondContact O-N 2.61Å; K8-M10 VanDerWaalsContact C-N 3.35Å
11M54.8Low47.7Very low153 Ų153130.8 Ų130.875%0.75476%0.763SS**THydrogen-bonded Turntrans-78.5-19.2175.8-65.6-174.1108.500113.9V7 A9V7-M11 PolarHBondContact O-N 2.7Å; A9-M11 VanDerWaalsContact C-N 3.31Å; A9-M11 PolarHBondContact O-N 3.36Å
12A52.7Low46.9Very low79 Ų79126.4 Ų126.465%0.65375%0.745SS**G310 helixtrans-77.6-21.3-175.700000113.7A9 F14A9-A12 PolarHBondContact O-N 3.06Å; A9-A12 VanDerWaalsContact O-N 3.11Å; A12-F14 PolarHBondContact O-N 3.3Å
13R48Very low46.3Very low167 Ų167129 Ų12963%0.6375%0.746SS**G310 helixtrans-88.37.1-173.968.8169.4-177.4-117.81.5115.9
14F49.9Very low45.5Very low170 Ų170126 Ų12675%0.74674%0.738SS**G310 helixtrans-116.514.2-174.6-95.4-76.3000114.3A12A12-F14 PolarHBondContact O-N 3.3Å
15Q48.1Very low44.3Very low186 Ų186122.2 Ų122.287%0.86973%0.733SS**SBendtrans-129.138.1176.6-65.5-171.728.100112.8
16A42.6Very low44.5Very low99 Ų99121.6 Ų121.682%0.81873%0.731SS**  trans-138.199.8174.200000110.2
17G37.3Very low43.5Very low86 Ų86123.2 Ų123.289%0.88775%0.745SS**  trans-152.1113.7173.200000110.1
18G34.5Very low42.3Very low75 Ų75121.7 Ų121.777%0.77375%0.751SS**  trans151.5121.4178.900000113
19A35.2Very low41.4Very low101 Ų101124.4 Ų124.484%0.83576%0.756SS**  trans59.4132.5-179.200000116.3
20S34.4Very low41Very low109 Ų109126.1 Ų126.176%0.76276%0.763SS**  cis80.288.930.6-170.40000115.1
21V39.1Very low39.9Very low141 Ų141131.5 Ų131.586%0.85578%0.784SS**  -170.5149.8114.1-88.10000111.8
22D32.9Very low39.5Very low158 Ų158129.1 Ų129.185%0.84578%0.78SS**  trans14.3136154.7-99.2-154.1000125.6
23D32.4Very low38.3Very low139 Ų139130.5 Ų130.574%0.74379%0.785SS**  81.9144.9127.2-154.3-123.2000125
24S34Very low37.5Very low96 Ų96130.4 Ų130.467%0.67180%0.796SS**  trans52.7112.5157.8-73.80000123.4
25T33.3Very low36.7Very low130 Ų130130.7 Ų130.780%0.79880%0.8SS**  trans-86.6174.1154.251.90000112.6
26P53.3Low36.5Very low112 Ų112126.4 Ų126.473%0.72779%0.788SS**  cis-135.8-153.5-22.429.4-4.9000112.9
27V33.9Very low36Very low148 Ų148127.5 Ų127.590%0.89778%0.784SS**  trans96.9125.1161.6-173.20000116.8
28G31.8Very low35.7Very low79 Ų79131.3 Ų131.381%0.81478%0.784SS**  trans161.398.3171.600000114.8
29R33.4Very low35.6Very low242 Ų242132.5 Ų132.591%0.91378%0.78SS**  trans-120.1168178.4-148.2-167.9179-169.53.7108.3
30P45.2Very low35.5Very low95 Ų95133.4 Ų133.462%0.61778%0.78SS**  -126173.2-65.838-25.4000114.7
31K31.7Very low35.4Very low196 Ų196131.2 Ų131.285%0.85278%0.775SS**  trans66.1173.6149.8-84178.8179.3-178.20117.2
32P45.7Very low36.2Very low104 Ų104131.2 Ų131.268%0.67578%0.778SS**  cis-132.7-157.3-40.639-21.8000111.4
33S27.4Very low36.2Very low108 Ų108127 Ų12776%0.75577%0.771SS**  trans72.7163.5164.586.80000115.3
34L32.1Very low36.3Very low164 Ų164128.1 Ų128.186%0.85978%0.776SS**  cis-158.5178-27.1-110.8170.9000106
35Q31.8Very low36.4Very low177 Ų177131.3 Ų131.383%0.82778%0.78SS**  trans-100.7-170.4168.1-40.8-172.9-23.200109.8
36P43.5Very low36.4Very low95 Ų95134.6 Ų134.662%0.61778%0.783SS**  cis-135.9170.9-23.732-12.7000114.8
37T33.3Very low36Very low122 Ų122138.5 Ų138.575%0.74879%0.789SS**  trans63.4159.9148.1490000122.4
38L31.6Very low36.6Very low167 Ų167136.9 Ų136.987%0.87478%0.781SS**  trans70166.9169.5-50.9-174.6000115.9
39S31Very low36.5Very low100 Ų100139.1 Ų139.170%0.69978%0.779SS**  cis-176.3130.5-39.4-179.40000109.2
40S34.6Very low36.4Very low119 Ų119134.2 Ų134.283%0.83277%0.77SS**  trans63.6150.1168.5-1650000119.4
41G32Very low35.5Very low64 Ų64136.4 Ų136.466%0.6677%0.772SS**  trans-96.2-145.2171.500000112.7
42P55.7Low35.6Very low140 Ų140132.4 Ų132.491%0.90977%0.769SS**  cis-141.2-175.811.643.7-25.9000116.6
43G31.9Very low35Very low69 Ų69135 Ų13571%0.71178%0.776SS**  trans168.7139.3157.400000120.6
44I35Very low35.3Very low163 Ų163135.4 Ų135.484%0.83678%0.779SS**  trans89.297.4145.1-54.7177.5000121.6
45Q35.5Very low35.3Very low163 Ų163130.7 Ų130.776%0.76277%0.771SS**  53.2115.9127.9-58.7-74.9-14.700123.5
46K34.8Very low35.4Very low199 Ų199128.4 Ų128.487%0.86577%0.774SS**  -178.216399.8-94.5171.5-174.9178.40112.1
47K43.4Very low34.7Very low195 Ų195128.1 Ų128.185%0.84878%0.779SS**  trans-119.4172.6-179.8-50.8-175.9178.6-178.10111.5
48P46.8Very low34.8Very low113 Ų113129.3 Ų129.373%0.73478%0.78SS**  -140159.377.141.7-27.3000116.3
49V30.2Very low34.8Very low127 Ų127127.9 Ų127.977%0.7777%0.773SS**  trans60.8135.5131.1167.30000120.1
50L31.6Very low34.8Very low138 Ų138128 Ų12872%0.72377%0.772SS**  cis-146.8179.13.1-151.874.1000112.6
51E27.1Very low34.8Very low142 Ų142128.1 Ų128.166%0.66477%0.769SS**  trans-41.8161.6167.6-71.7144.787.300118.1
52S32.7Very low35.6Very low112 Ų112130.6 Ų130.678%0.78377%0.773SS**  cis89.4156.629.1-60.50000116.3
53L32.4Very low34.6Very low157 Ų157133.3 Ų133.382%0.82277%0.771SS**  trans95.3129.4-170-57.3168.4000113.3
54S34.1Very low35.8Very low117 Ų117135.4 Ų135.482%0.81877%0.772SS**  cis80.3125.538.4-164.90000113.3
55G33.3Very low36.4Very low66 Ų66133 Ų13368%0.6877%0.767SS**  cis170.6-164.5-1.100000112.8
56S32.4Very low36.3Very low129 Ų129134.7 Ų134.790%0.90277%0.772SS**  trans76.9134.4168.8-159.60000120
57A30.2Very low37.1Very low88 Ų88130.1 Ų130.173%0.72776%0.763SS**  trans163.894.7133.200000115.8
58I34.9Very low36.4Very low148 Ų148129.7 Ų129.776%0.75976%0.761SS**  trans27.8138.414154.6169.1000126.2
59N31.6Very low35.5Very low136 Ų136129.7 Ų129.773%0.72776%0.764SS**  trans102.6113.2137.3-70.1-11.1000124.9
60C29.8Very low35.6Very low102 Ų102130 Ų13069%0.68977%0.766SS**  trans66.9107.3130.1-62.40000124.6
61T35.9Very low36.1Very low123 Ų123128.4 Ų128.476%0.75576%0.764SS**  37.2159.8118.559.70000122.9
62P47.6Very low36.2Very low116 Ų116128.6 Ų128.675%0.75377%0.769SS**  cis-123.3145.76.31016.9000114.8
63K35.3Very low36Very low197 Ų197129.1 Ų129.186%0.85776%0.761SS**  84.4155.386.3-81.6-165.8172.3178.80117.4
64P56.6Low35.9Very low113 Ų113129.7 Ų129.773%0.73476%0.757SS**  trans-118.5-147.8-156.544.2-27.8000111.8
65P48.1Very low35.7Very low113 Ų113129.4 Ų129.473%0.73476%0.755SS**  cis-140-161.4-539.1-15.3000116.5
66F34.3Very low35.5Very low197 Ų197132.9 Ų132.986%0.86476%0.758SS**  trans-46.7172.1161.1-58.2-86.1000114.8
67P51.5Low35.4Very low104 Ų104131.9 Ų131.968%0.67575%0.751SS**  cis-142.5-17011.626.90.3000117.1
68K28.4Very low35.3Very low185 Ų185134.6 Ų134.680%0.80475%0.753SS**  trans108146.6146.2-58.5177.2-176.9174.20120.2
69S28.2Very low35.1Very low114 Ų114131.4 Ų131.480%0.79775%0.749SS**  trans76.8119.3148-61.10000122.6
70T32.2Very low35Very low132 Ų132133.4 Ų133.481%0.8175%0.754SS**  trans-54.2166.9141.711.60000112
71P42.4Very low35.4Very low105 Ų105134.2 Ų134.268%0.68275%0.747SS**  cis-144.8-171.317.436.3-12.3000117.6
72L28.1Very low36Very low147 Ų147134.3 Ų134.377%0.7775%0.75SS**  trans89.3124134.1-144.862.3000122.7
73I28.8Very low35Very low122 Ų122134.2 Ų134.263%0.62674%0.743SS**  trans89.1127.5138.8-97.5173.8000123.8
74K30.4Very low35Very low170 Ų170134.2 Ų134.274%0.73974%0.743SS**  trans64138.8151.8-66.6169.6-161173.30118.5
75S30.5Very low34Very low110 Ų110133.6 Ų133.677%0.76975%0.748SS**  66136.864.7-38.80000112
76D27.6Very low33.4Very low140 Ų140138.5 Ų138.575%0.74976%0.758SS**  cis-161.2163.113.8-163.7-122.5000111.2
77S30.2Very low33.4Very low108 Ų108133.4 Ų133.476%0.75575%0.752SS**  trans57.4170.4168.5-79.90000118.8
78D28.2Very low33Very low145 Ų145136.7 Ų136.778%0.77576%0.762SS**  cis-161.1157.9-32.3175.2-132.8000108.6
79A31.5Very low33.2Very low81 Ų81131.9 Ų131.967%0.66976%0.758SS**  trans53.6147.3170.600000118.8
80H30.2Very low33.6Very low178 Ų178132.3 Ų132.382%0.82475%0.751SS**  cis-152169.526.4-174.8-88.2000112.7
81E38.3Very low33.8Very low118 Ų118134 Ų13455%0.55175%0.747SS**  trans-63.7161.3-178.2-125-159.271.900116.3N83E81-N83 WeakPolarHBondContact OE1-CA 3.22Å; E81-N83 WeakPolarHBondContact OE1-CB 3.03Å; E81-N83 PolarHBondContact OE1-N 3.25Å; E81-N83 PolarHBondContact OE1-ND2 2.88Å
82P48Very low33.3Very low126 Ų126137.2 Ų137.282%0.81875%0.751SS**  -139.8129.874.136.5-19.4000119.2
83N26.6Very low33.4Very low114 Ų114133.8 Ų133.861%0.6174%0.743SS**  trans26.2123.6140.2-118.4-78.5000122.7E81E81-N83 WeakPolarHBondContact OE1-CA 3.22Å; E81-N83 WeakPolarHBondContact OE1-CB 3.03Å; E81-N83 PolarHBondContact OE1-N 3.25Å; E81-N83 PolarHBondContact OE1-ND2 2.88Å
84K34.2Very low33.5Very low197 Ų197135.6 Ų135.686%0.85775%0.754SS**  -172.1159.299.8-102.2169.5-176.2176.40114.5
85A37.2Very low33.5Very low100 Ų100132.9 Ų132.983%0.82676%0.757SS**  trans66.198172.100000117.7
86K34.2Very low33.6Very low216 Ų216134.3 Ų134.394%0.93976%0.755SS**  trans-107161.8164.9-84.9-175176.2176.30111.4
87A35.2Very low33.8Very low89 Ų89134.1 Ų134.174%0.73675%0.754SS**  trans-98.7177165.400000112.1
88L42.2Very low33.8Very low173 Ų173135.6 Ų135.691%0.90675%0.753SS**  trans70.5115.8163.9-71.8165.5000120.5
89A33.3Very low33.8Very low85 Ų85135 Ų13570%0.70276%0.755SS**  -166129129.100000107.9
90N35.5Very low33.7Very low122 Ų122135.1 Ų135.165%0.65276%0.756SS**  cis85133.442.6-173.336.3000113.8
91K38.4Very low33.7Very low167 Ų167133.1 Ų133.173%0.72676%0.756SS**  trans165.2113.3142.8-83.4142.1-153.3-700114.3
92F30.5Very low33.3Very low174 Ų174133.7 Ų133.776%0.76376%0.763SS**  trans40.2156.4133.3-50-65.6000124
93A31.4Very low32.6Very low75 Ų75138 Ų13862%0.6276%0.763SS**  cis-178.1163.4-22.800000112.2
94N29.6Very low33.9Very low160 Ų160137.7 Ų137.786%0.85677%0.767SS**  trans66.4152.6161.3-66-4.9000118.2
95S30.6Very low33.7Very low112 Ų112134.3 Ų134.378%0.78377%0.765SS**  cis-154.3171.61.5-156.10000112.5
96L32.6Very low33.4Very low141 Ų141134.8 Ų134.874%0.73876%0.758SS**  trans115.9124.5141.4-155.267.8000118.2
97D32.4Very low33.3Very low135 Ų135132.9 Ų132.972%0.72275%0.75SS**  trans37.9125.9163.5-50-17.7000120.2
98D30.1Very low32.9Very low140 Ų140134.6 Ų134.675%0.74975%0.747SS**  cis93.2106.331-164.311.2000115.4
99T28.5Very low32.1Very low133 Ų133134.7 Ų134.782%0.81674%0.74SS**  trans-167.9125.4132.1-76.40000109.1
100A29.4Very low31.9Very low82 Ų82136 Ų13668%0.67874%0.739SS**  trans-98.6154.6170.500000112.1
101T29.2Very low31.6Very low136 Ų136139.2 Ų139.283%0.83475%0.75SS**  trans-145.4130154.1-700000109.1
102N30.3Very low31.4Very low130 Ų130137.2 Ų137.270%0.69575%0.752SS**  trans-141.7112-176.9-135.3-75000109.8
103R33.5Very low31.7Very low218 Ų218134.5 Ų134.582%0.82375%0.751SS**  trans62.7-179.1157.8-63.1171.7-174.4-100.83116.6
104P53.8Low31.4Very low107 Ų107138 Ų13870%0.69576%0.759SS**  cis-115.6-154.3-41.327.8-7.3000109.4
105P30.5Very low31.3Very low125 Ų125140.5 Ų140.581%0.81276%0.762SS**  -138.717479.837.5-22.1000114.4
106V31.1Very low31.1Very low110 Ų110139.6 Ų139.667%0.66776%0.756SS**  trans-143.4159172.8-171.60000107.6
107F30.8Very low30.8Very low177 Ų177142 Ų14278%0.77676%0.763SS**  trans77.8155.6171.6-60.7-65.5000116.4
108N26.7Very low30.5Very low125 Ų125145 Ų14567%0.66877%0.771SS**  cis-152.3158.31-132.3-26.6000116.1
109K26.8Very low30.5Very low174 Ų174143.2 Ų143.276%0.75777%0.769SS**  trans22.6131.8145.3-85.1-175.7171.4-175.70123.9
110V28.1Very low30.4Very low113 Ų113146.2 Ų146.269%0.68577%0.773SS**  71.6121.9125.8177.10000120.2
111Q28.6Very low30.2Very low190 Ų190146.5 Ų146.589%0.88878%0.776SS**  -127.5140.1126.6-72.2-170.17.900110.4
112T35Very low30.1Very low125 Ų125144.8 Ų144.877%0.76778%0.776SS**  trans-126.9152.4152.149.40000106.7
113P35.6Very low29.9Very low116 Ų116145.8 Ų145.875%0.75378%0.776SS**  -145.7144.3109.136-20.9000115.8
114L26.8Very low29.9Very low148 Ų148139.5 Ų139.578%0.77577%0.771SS**  trans55.3102.5133.9-163.373.3000120
115K26.8Very low28.9Very low213 Ų213142.3 Ų142.393%0.92677%0.772SS**  -148.1146.4116.6-118.1173.9-175.7178.10111.2
116S26.7Very low28.8Very low94 Ų94140 Ų14066%0.65777%0.771SS**  trans-144.8125.1-168.255.90000112.1
117Q25.6Very low28.6Very low190 Ų190139.6 Ų139.689%0.88877%0.773SS**  trans-149.3114.8154.6-98.3162.8-99.700104.4
118F27.4Very low28.7Very low200 Ų200138.9 Ų138.988%0.87778%0.776SS**  74.5133.158.9-153-83.2000112.5
119S29.2Very low28.9Very low101 Ų101140 Ų14071%0.70678%0.777SS**  trans-73.1152.3-158.7-41.60000114.8
120Q26.4Very low29Very low196 Ų196140.3 Ų140.392%0.91678%0.778SS**  trans-144.9150.3138.7-1401681800112.1
121A25.2Very low29Very low89 Ų89141.2 Ų141.274%0.73678%0.784SS**  trans-143.4176.4173.200000108.2
122A28.1Very low29.6Very low100 Ų100137.4 Ų137.483%0.82678%0.776SS**  trans70.1155.5-174.100000113.9
123E25.7Very low29.3Very low150 Ų150140.8 Ų140.870%0.70178%0.78SS**  cis-129.4-131.82.1-152.9-156.929.200113.4K125E123-K125 WeakPolarHBondContact OE1-CE 3.44Å; E123-K125 IonicContact OE1-NZ 2.66Å; E123-K125 PolarHBondContact OE1-NZ 2.98Å; E123-K125 WeakPolarHBondContact OE2-CE 3.46Å; E123-K125 IonicContact OE2-NZ 2.61Å; E123-K125 PolarHBondContact OE2-NZ 2.65Å
124A33.5Very low29Very low86 Ų86142.1 Ų142.171%0.71178%0.781SS**  trans-146.6-155.4-173.200000110
125K31.8Very low29.4Very low166 Ų166143.8 Ų143.872%0.72278%0.782SS**  cis-154.9169.537.7-67.2160.3175.6126.50108.7E123E123-K125 WeakPolarHBondContact OE1-CE 3.44Å; E123-K125 IonicContact OE1-NZ 2.66Å; E123-K125 PolarHBondContact OE1-NZ 2.98Å; E123-K125 WeakPolarHBondContact OE2-CE 3.46Å; E123-K125 IonicContact OE2-NZ 2.61Å; E123-K125 PolarHBondContact OE2-NZ 2.65Å
126G28.9Very low30.9Very low76 Ų76139.2 Ų139.278%0.78477%0.774SS**  cis-169.7-161.18.900000108.6
127S27.5Very low32.1Very low103 Ų103139.4 Ų139.472%0.7277%0.773SS**  cis-164.6176.910.766.80000111.9
128I32.4Very low32.4Very low161 Ų161136.5 Ų136.583%0.82677%0.768SS**  trans71.3149.7166.6-60.2161.8000116.7
129Q30.8Very low32.4Very low149 Ų149133.8 Ų133.870%0.69676%0.763SS**  -166157.5-58.9-134.3-16818.900110.1
130K29.5Very low32.4Very low181 Ų181133.7 Ų133.779%0.78776%0.762SS**  trans83.4128.3157.3-68.5162.2175.6160.80121.1
131T27.9Very low32.5Very low132 Ų132131 Ų13181%0.8176%0.759SS**  trans-90.2178.7157.757.70000108.4
132P41.7Very low32.9Very low109 Ų109133.9 Ų133.971%0.70876%0.762SS**  -159170.551.445.9-23000121
133F28.6Very low33.8Very low196 Ų196134.5 Ų134.586%0.8676%0.757SS**  trans52.1147.4140.4-93.4-103.1000126.4
134N27.8Very low33.9Very low144 Ų144134.9 Ų134.977%0.7776%0.759SS**  trans103160.1139.5-114-31000123.3
135K36.9Very low33.8Very low184 Ų184135.3 Ų135.380%0.875%0.753SS**  trans-160.1175.5-170.5-77.9-167.5-177.1-176.90110.5
136P58.6Low33.8Very low116 Ų116136.6 Ų136.675%0.75376%0.758SS**  cis-135.9-8.7-27.929.8-10.4000123.2
137P49.9Very low34.9Very low99 Ų99138.5 Ų138.564%0.64376%0.757SS**  -124.8166-126.542.2-28.3000120.5
138V33.8Very low35Very low128 Ų128140.3 Ų140.378%0.77676%0.763SS**  trans63151.3159.7-64.50000120.5
139N27.1Very low35.2Very low143 Ų143141 Ų14177%0.76576%0.76SS**  cis-147.7135.34.7-123.41.5000108.6
140S28.7Very low35.7Very low99 Ų99139.7 Ų139.769%0.69277%0.765SS**  100.7124.571.7-1790000115
141T28.3Very low35.9Very low139 Ų139139.2 Ų139.285%0.85376%0.763SS**  trans-176146.6141.4-71.70000110.2
142L34Very low36.7Very low151 Ų151138 Ų13879%0.79176%0.757SS**  trans-143.7152.6174.8-120.7165.3000107.7
143P47.1Very low36.4Very low113 Ų113138.8 Ų138.873%0.73476%0.762SS**  -156.3155.290.240.7-20.8000119.1
144E26.5Very low36.5Very low157 Ų157132.6 Ų132.673%0.73475%0.754SS**  trans58.1119.5134.4-69.9-141.159.500128.3
145T31.3Very low36.7Very low96 Ų96130.2 Ų130.259%0.58976%0.755SS**  66.4105.2123.664.50000127.3
146K32.2Very low36.5Very low193 Ų193129.6 Ų129.684%0.83976%0.759SS**  70.3172129.9-62.5-178.6177.8172.90119.3
147P53.5Low35.4Very low116 Ų116130.7 Ų130.775%0.75376%0.759SS**  -135.1-164.6-72.240.8-21.8000114.5
148V28.4Very low34.5Very low140 Ų140132.3 Ų132.385%0.84877%0.767SS**  trans119.1149.1159.8-177.70000117.1
149F37.3Very low34.4Very low175 Ų175134.9 Ų134.977%0.76877%0.768SS**  trans-85.6162.3-172.5-115.7-119.7000113.3K151F149-K151 HydrophobicContact CD1-CB 4.07Å; F149-K151 HydrophobicContact CE1-CB 4.37Å
150P40.4Very low34.8Very low123 Ų123136.9 Ų136.980%0.79977%0.772SS**  -152.1125.679.437.2-16000119.3
151K33.2Very low34.9Very low170 Ų170137.3 Ų137.374%0.73978%0.775SS**  25.1133.1122-162.8174.3-173.6178.40121.1F149F149-K151 HydrophobicContact CD1-CB 4.07Å; F149-K151 HydrophobicContact CE1-CB 4.37Å
152P45.8Very low34.9Very low107 Ų107141.3 Ų141.370%0.69578%0.775SS**  trans-90.6161.2170.137.9-36.4000114.6
153P35.9Very low34.8Very low125 Ų125142.7 Ų142.781%0.81278%0.779SS**  trans-79.2157.5155.434.7-32.6000110.8
154G30.3Very low34.4Very low67 Ų67145 Ų14569%0.69178%0.778SS**  cis108.282.312.800000110.4
155A32.4Very low34.7Very low94 Ų94144.5 Ų144.578%0.77778%0.775SS**  64.4136.482.100000113
156L31.7Very low35Very low170 Ų170146.4 Ų146.489%0.8978%0.782SS**  cis-157.5157.442-74.2161.8000115.1
157N34.8Very low35.1Very low140 Ų140142.4 Ų142.475%0.74978%0.778SS**  trans-23.9144.3149178.114000118.9
158T31.7Very low34Very low133 Ų133141 Ų14182%0.81678%0.784SS**  -179.1161130-75.20000115
159K31.2Very low34.3Very low182 Ų182138.3 Ų138.379%0.79179%0.786SS**  trans-71.2168.1-166.4-58170.7-179.5175.10119.3
160H36.8Very low34.1Very low185 Ų185133.5 Ų133.586%0.85679%0.785SS**  trans-32.8144.5169.3-37-102.4000119.3
161S29.7Very low33.7Very low108 Ų108134.6 Ų134.676%0.75579%0.79SS**  170.3128.2117.4-175.90000115.8
162W29.6Very low34Very low223 Ų223132.6 Ų132.685%0.84579%0.792SS**  trans16.5122.7149.7-170.6-71.4000122.4
163M30.4Very low34.4Very low179 Ų179132.9 Ų132.988%0.88279%0.794SS**  trans-169.6-176134.441.7-155.4133.900112.8
164K39.2Very low34.6Very low163 Ų163134.3 Ų134.371%0.70980%0.795SS**  trans-146.8166.1-140.7-172-179.5176.2-117.20114.3
165E32.5Very low34.9Very low146 Ų146137 Ų13768%0.68280%0.798SS**  trans76.4150.6164.3-97.9146.796.700117.3
166D37.1Very low34.8Very low136 Ų136135.7 Ų135.773%0.72779%0.794SS**  cis-159.1174.64.6-171.7-124.2000114.7
167S35.5Very low35.6Very low108 Ų108133.9 Ų133.976%0.75579%0.792SS**  trans91.3141.9150.3-88.20000123.1
168G30.3Very low35.9Very low86 Ų86133.3 Ų133.389%0.88779%0.794SS**  trans-102.7-149-174.800000115.5
169G33.6Very low37.4Very low85 Ų85132.1 Ų132.188%0.87679%0.788SS**  cis168.3158.1-2.800000113.1
170G34.4Very low38.6Very low74 Ų74128.7 Ų128.776%0.76379%0.785SS**  trans106.7152.9-179.400000114.6
171T32.2Very low38.4Very low146 Ų146129.2 Ų129.290%0.89679%0.785SS**  cis-154.1-1735-10.10000112.5
172T39.5Very low38.9Very low128 Ų128130.1 Ų130.179%0.78579%0.786SS**  trans-95.5-167.5-16455.80000114.8
173P54.5Low39.6Very low112 Ų112125 Ų12573%0.72778%0.782SS**  cis-147.91684.544.7-24.3000121.7
174N39.1Very low39.5Very low156 Ų156123.6 Ų123.683%0.83478%0.777SS**  trans58.2155.1148.7-109.3-4.4000122.7
175T35.7Very low39.4Very low122 Ų122122 Ų12275%0.74878%0.776SS**  cis-139.2163.63.535.10000112.6
176G31.7Very low39.6Very low67 Ų67122.1 Ų122.169%0.69178%0.776SS**  trans-88-164.2-177.900000117.8
177P48Very low39.5Very low133 Ų133123 Ų12386%0.86478%0.776SS**  -125.8-155.15341.7-29000116.9
178T41.3Very low39.4Very low127 Ų127126.5 Ų126.578%0.77978%0.778SS**  trans-153.3-167.1-144.655.60000113.2
179P64.1Low40.9Very low108 Ų108127.8 Ų127.870%0.70177%0.77SS**  cis-126.9-135.1-48.334.9-13.2000109.3
180P55.8Low41.4Very low111 Ų111130.1 Ų130.172%0.72177%0.77SS**  cis-130.1178.8-27.638.2-19.9000114.7
181K31.4Very low41.2Very low195 Ų195130.1 Ų130.185%0.84877%0.77SS**  cis-159.1152.2-26.8-109.8-177.8175178.80111.2
182T40.5Very low41Very low128 Ų128128.6 Ų128.679%0.78577%0.765SS**  trans-125.7174.3158.466.80000108.9
183P44.8Very low40.6Very low116 Ų116129 Ų12975%0.75377%0.767SS**  -133.4-155.96736.1-14.7000110.8
184N29.4Very low39.5Very low148 Ų148130.4 Ų130.479%0.79177%0.768SS**  cis-155.7171.37.9-163.319.5000111.8
185L35.4Very low39.3Very low130 Ų130131.4 Ų131.468%0.68177%0.765SS**  trans-152.9151.4-179.2-150.583.6000113.1
186H36.9Very low39.2Very low149 Ų149134.4 Ų134.469%0.6977%0.773SS**  trans65.6161.8156.5-78.410.8000118.6
187Q35.2Very low38.9Very low154 Ų154141.8 Ų141.872%0.7278%0.78SS**  cis-152.6-174.3-18.2-120-165108.200113.4
188K33.3Very low38.3Very low182 Ų182142.6 Ų142.679%0.79177%0.772SS**  trans-80.1-172.2-172.1-63.1169.2-179.2167.90115
189P61.4Low37.7Very low113 Ų113144.3 Ų144.373%0.73477%0.771SS**  cis-130.1169.4-45.234.1-17.2000114.6
190P45.4Very low36Very low133 Ų133145 Ų14586%0.86477%0.769SS**  -144.4-179.8112.138.4-23.9000113.5
191G29.6Very low34.7Very low74 Ų74146.7 Ų146.776%0.76377%0.767SS**  cis157.596.3-13.300000116
192S28.6Very low34.6Very low115 Ų115144.9 Ų144.980%0.80476%0.762SS**  trans44.8110165.1174.10000120.8
193V31.2Very low34.1Very low136 Ų136146.6 Ų146.682%0.82476%0.761SS**  -177.9137.3114.2-89.60000115.3
194L31.7Very low33.2Very low141 Ų141145.4 Ų145.474%0.73876%0.756SS**  49.9113.5129.2-15872.6000123.8
195K34.4Very low33Very low177 Ų177145.8 Ų145.877%0.7775%0.752SS**  trans62.3111.3146.1-68.7173.9-178.2175.50122.3
196M32.5Very low32.6Very low185 Ų185144.7 Ų144.791%0.91175%0.751SS**  -166.5139.6120.1-100165.1176.100105.4
197W27Very low32.1Very low223 Ų223145 Ų14585%0.84575%0.751SS**  cis67.8105.224.7-90.874.7000116.4
198Q33.5Very low32Very low149 Ų149144.2 Ų144.270%0.69676%0.757SS**  trans84.1148.8152.6-137.166.354.100120.2
199Q30.5Very low31.7Very low164 Ų164142.1 Ų142.177%0.76675%0.754SS**  trans68.7124.7170.9-86.6166.1-75.500117.9
200N28.1Very low30.3Very low122 Ų122141.7 Ų141.765%0.65275%0.749SS**  cis84.7133.619.9-158.963.8000116.2
201E28.8Very low29.6Very low146 Ų146141.4 Ų141.468%0.68275%0.745SS**  trans64.8116178.1-78.2160.8115.800114.7
202E27.7Very low29.7Very low158 Ų158145 Ų14574%0.73875%0.747SS**  80.3137.476.5-91-16242.600112.9
203Q30.3Very low30Very low163 Ų163148.3 Ų148.376%0.76275%0.746SS**  cis-122.4-158.4-6.1-61.7-172.1-7.700108.4
204S25.8Very low30.7Very low92 Ų92146.8 Ų146.864%0.64374%0.74SS**  cis-175.8156.525.951.40000112
205E26.6Very low30.5Very low155 Ų155145.2 Ų145.272%0.72474%0.74SS**  trans66.7154.3157.6-69.4-162.5136.400118.5K207E205-K207 IonicContact OE1-NZ 3.24Å; E205-K207 PolarHBondContact OE1-NZ 2.91Å
206T25.8Very low31.5Very low107 Ų107141.8 Ų141.866%0.65674%0.736SS**  cis-156.7169.7-6.930.90000109.8
207K27.5Very low31.5Very low157 Ų157141.6 Ų141.668%0.68373%0.733SS**  cis-169.298-34.8-96.2174.8-160.7128.90108.6E205E205-K207 IonicContact OE1-NZ 3.24Å; E205-K207 PolarHBondContact OE1-NZ 2.91Å
208T32Very low31.6Very low137 Ų137134.3 Ų134.384%0.8472%0.721SS**  trans-153121.2161.938.40000109.6
209D27.2Very low31.6Very low137 Ų137136.9 Ų136.973%0.73373%0.73SS**  89.7127.565-99.6-109000112.7
210T32Very low31.6Very low104 Ų104135.5 Ų135.564%0.63873%0.733SS**  cis-161.5166.3-4.9-70000112.4
211V30.3Very low32Very low127 Ų127134 Ų13477%0.7774%0.737SS**  trans68.7135.6153.4167.50000116.6
212N31.5Very low32.7Very low151 Ų151133 Ų13381%0.80774%0.743SS**  cis-140.3-166.120.8-143-25.5000114.6
213K36.3Very low33.1Very low183 Ų183135 Ų13580%0.79675%0.749SS**  trans-155.5167.9-154.9170.5-178175.1-174.40110.7
214P44.3Very low34.4Very low105 Ų105132.8 Ų132.868%0.68275%0.749SS**  cis-129.6175.9-19.535-16000116.9
215S29.5Very low35.1Very low107 Ų107133.4 Ų133.475%0.74875%0.751SS**  trans-6.1175.1131.7-118.80000121.6
216P54.8Low35.2Very low106 Ų106132.4 Ų132.469%0.68876%0.756SS**  cis-142.8-161.93.331.1-4.6000116.4
217Q32.2Very low35.7Very low181 Ų181134.2 Ų134.285%0.84676%0.761SS**  trans99.7145.8155.9-60.9-168.4-10.400119.5
218A30Very low36Very low70 Ų70136 Ų13658%0.57977%0.769SS**  cis-168.4171.2-23.500000113
219F31.5Very low35.9Very low202 Ų202139.1 Ų139.189%0.88677%0.771SS**  trans76.3140.8160.1-61.7-65.8000121.5
220T31.4Very low36.8Very low136 Ų136140 Ų14083%0.83478%0.776SS**  trans-122.3168.9-173.6510000111.7
221A36.3Very low37.3Very low90 Ų90138.9 Ų138.974%0.74478%0.777SS**  trans104.5157.3145.200000116.5
222P44.8Very low37.5Very low124 Ų124141.2 Ų141.281%0.80578%0.78SS**  cis-119.4-156.74.440.8-25.5000114.8
223K34.1Very low37.8Very low201 Ų201137.4 Ų137.487%0.87477%0.765SS**  trans-107.8-153.6-165.3-49.2179.6179.6175.80113.2
224P57.8Low38.1Very low117 Ų117137.6 Ų137.676%0.7677%0.774SS**  trans-109.9-161-137.535.4-11.6000112.3
225P42.2Very low37.8Very low104 Ų104140.4 Ų140.468%0.67578%0.776SS**  -155.3167.590.940.4-21.6000118.2
226T28.2Very low38.3Very low134 Ų134141.5 Ų141.582%0.82277%0.773SS**  trans65.1151.6146.4450000123
227N36.8Very low37.7Very low146 Ų146144.7 Ų144.778%0.78178%0.776SS**  trans-96.1179177.8-78-61.4000113
228F32.7Very low38.3Very low193 Ų193142.7 Ų142.785%0.84677%0.766SS**  trans77.1105161.2-75.5-80.3000119.3
229K30.3Very low39Very low203 Ų203147 Ų14788%0.88377%0.772SS**  -172.1154.790-95.4173.4-1761800111.3
230N45.2Very low39.4Very low157 Ų157143.8 Ų143.884%0.8476%0.764SS**  trans-122.5134167.9179.320.6000108.5
231A43.2Very low40.4Very low80 Ų80143 Ų14366%0.66176%0.762SS**  trans64.9158.9172.500000115.6
232Q34Very low40.5Very low176 Ų176144.4 Ų144.482%0.82277%0.766SS**  cis-138.5153.68.5-103-156.311.800114.1
233S37.6Very low40.3Very low70 Ų70146.1 Ų146.149%0.4976%0.763SS.*  trans58.7110.9137.8-150.40000121.6F235S233-F235 PolarHBondContact O-N 3.31Å; S233-F235 VanDerWaalsContact OG-C 3.23Å; S233-F235 WeakPolarHBondContact OG-CA 3.36Å; S233-F235 PolarHBondContact OG-N 2.91Å; S233-F235 PolarHBondContact OG-O 3.27Å
234L43.9Very low40.6Very low187 Ų187144.4 Ų144.498%0.97976%0.758SS**SBendtrans-83.144.7146.8-105.7176.5000111.8
235F37.1Very low39.7Very low165 Ų165145 Ų14572%0.72476%0.76SS**SBendtrans-156.898.5157.1-140.5-108.2000110.6S233S233-F235 PolarHBondContact O-N 3.31Å; S233-F235 VanDerWaalsContact OG-C 3.23Å; S233-F235 WeakPolarHBondContact OG-CA 3.36Å; S233-F235 PolarHBondContact OG-N 2.91Å; S233-F235 PolarHBondContact OG-O 3.27Å
236N40.7Very low39.6Very low130 Ų130148.6 Ų148.670%0.69577%0.767SS**  trans66.688.8162.7-58.9-17.4000121.8
237K42.8Very low39.9Very low173 Ų173147.6 Ų147.675%0.75277%0.766SS**  81.498.6110.7-155.8167.6-1751730122.9
238E44.5Very low39.7Very low138 Ų138144.6 Ų144.665%0.64577%0.769SS**  trans75.6163.3146.8-64-177.575.100119.7
239K44Very low39.9Very low161 Ų161139.2 Ų139.270%0.777%0.768SS**  cis-142.1-114.24.4-144.2-168.1-178.6750118.8
240D39.3Very low40.3Very low135 Ų135135.8 Ų135.872%0.72276%0.764SS**  trans-119.9169-152.4-90.8-62.6000117.1
241P53.4Low39.8Very low119 Ų119133.9 Ų133.977%0.77375%0.754SS**  trans-132.9-165.7-156.246.5-31.6000119.2
242S37.8Very low39.4Very low119 Ų119138.7 Ų138.783%0.83276%0.76SS**  trans-158.9178.9172.8-164.30000114.4
243E41.1Very low40.1Very low161 Ų161136.2 Ų136.275%0.75276%0.76SS**  trans-133.5-164.3-174.4-62.1-171.219.600113
244Q39.4Very low41Very low165 Ų165137.8 Ų137.877%0.77177%0.768SS**  cis-157.3-151.812.7-151162.672.100113.4
245T39.3Very low40.5Very low128 Ų128137.6 Ų137.679%0.78576%0.76SS**  trans-151.3-167.9-160-15.10000116.6
246E41Very low40.3Very low180 Ų180136.2 Ų136.284%0.84177%0.765SS**  trans97.9159.6158.4-56.8-141.4153.200121
247S34.7Very low40Very low113 Ų113133.9 Ų133.979%0.7976%0.764SS**  cis-167.4173.3-28.160.70000113.1
248G32.7Very low39.7Very low83 Ų83132.5 Ų132.586%0.85677%0.769SS**  trans159.1176.1177.900000114.7
249G35.7Very low39.1Very low80 Ų80133.5 Ų133.583%0.82578%0.779SS**  cis170.1142.2-7.900000112.4
250V38.6Very low38.7Very low131 Ų131130.1 Ų130.179%0.79478%0.781SS**  trans-167.1166.4-167.764.20000118
251N34.7Very low38.6Very low117 Ų117130.1 Ų130.163%0.62679%0.786SS**  trans103151.7162.9-67.9-48.5000120.1
252K35Very low38.7Very low181 Ų181129.8 Ų129.879%0.78778%0.784SS**  cis-161.6-50.6-30.4-129.9174.1-152.5133.30122.6
253P49.5Very low39.6Very low125 Ų125129.2 Ų129.281%0.81278%0.777SS**  trans-103.5166.1-143.421.4-9.7000121.9
254P55Low39.3Very low102 Ų102130.5 Ų130.566%0.66278%0.784SS**  trans-126.1-152-17147.5-35.8000118.5
255F35.4Very low38.8Very low184 Ų184131.7 Ų131.781%0.80779%0.786SS**  trans98164.6174.6-47.4-59.3000117
256T31.4Very low39.2Very low136 Ų136130.6 Ų130.683%0.83478%0.781SS**  cis-161.4152.913.3-24.40000115.4
257A33.8Very low39.7Very low81 Ų81126.7 Ų126.767%0.66977%0.772SS**  trans41.2136.3150.400000128.4
258V38.3Very low39.7Very low143 Ų143125 Ų12587%0.86776%0.764SS**  trans67.7169.4159.7-570000119.9
259N32.1Very low39.8Very low159 Ų159128.7 Ų128.785%0.8576%0.759SS**  cis-152.8-17111.2-156.2-4.7000114.3
260A34.3Very low39.7Very low91 Ų91134.4 Ų134.475%0.75276%0.761SS**  trans-122.4177.8-171.700000119.2
261T36.7Very low39.7Very low135 Ų135137.8 Ų137.883%0.82877%0.765SS**  trans-83.5-169.6-164.120.80000117.8
262P56.6Low40.1Very low112 Ų112138.7 Ų138.773%0.72778%0.777SS**  cis-127.7-128.71.441.5-20.1000112.7
263P55.8Low40.4Very low106 Ų106135.4 Ų135.469%0.68878%0.777SS**  cis-129.1-179.3-43.238.5-21.4000115.7
264Q35.1Very low39.8Very low189 Ų189137.7 Ų137.788%0.88378%0.782SS**  trans157.7176.8140.6-76.8-104.32.600115.3
265K29.5Very low39.2Very low190 Ų190142.2 Ų142.283%0.82679%0.791SS**  trans-152-162.9-151.5-126.7-171.5158.4-177.70113.3
266P46.8Very low39.5Very low105 Ų105143.1 Ų143.168%0.68280%0.795SS**  -117-115.7-7928.7-3.9000118.8
267P52Low40Very low98 Ų98142.8 Ų142.864%0.63680%0.795SS**  -143.2-176.2-111.147.7-28.8000121.2
268A34.8Very low40.2Very low77 Ų77144 Ų14464%0.63680%0.798SS**  trans86.5164.8134.600000123.9
269H35.3Very low40.2Very low160 Ų160147.3 Ų147.374%0.74180%0.801SS**  trans132.4103.6137-59.7-53000119.1
270K34Very low40.1Very low201 Ų201143.3 Ų143.387%0.87480%0.797SS**  trans59.5136.8136.8-61.5-180178.3177.60122.9
271K38.1Very low40.3Very low202 Ų202145.9 Ų145.988%0.87880%0.804SS**  trans-79.6164.9159-58.3176.5-178.7175.60110.8
272P41.5Very low40.1Very low135 Ų135144.4 Ų144.488%0.87781%0.805SS**  -134.2-168104.938.6-29000113.8
273S42.4Very low39.1Very low113 Ų113148 Ų14879%0.7981%0.812SS**  trans-128.9152.3-168.5-178.80000112.2
274L37.4Very low37.9Very low173 Ų173147.7 Ų147.791%0.90682%0.819SS**  trans-147.8150166.3-163.158.1000112.3
275K42.5Very low37.8Very low196 Ų196146.3 Ų146.385%0.85282%0.817SS**  trans-91.6169.9-173.5-58-179.6-178.8179.60112.5
276K40.3Very low38Very low204 Ų204140.4 Ų140.489%0.88781%0.81SS**  trans-122.9156.8166.1-91.6-173.3174.6-178.40112.1
277P42.6Very low37.6Very low129 Ų129143.9 Ų143.984%0.83882%0.821SS**  trans-93.8-169-166.239.1-38.5000114.6
278S38.1Very low36.8Very low107 Ų107147.8 Ų147.875%0.74884%0.837SS**  trans-134.7177-166.9630000114.7
279K37.7Very low37Very low212 Ų212147.1 Ų147.192%0.92284%0.838SS**  trans78.1150.7-176.6-57.3-176.5177.5-178.20115
280G30.4Very low37.3Very low74 Ų74147.1 Ų147.176%0.76384%0.843SS**  cis-146.1-168.56.900000114.8
281T38.3Very low38.2Very low146 Ų146142.8 Ų142.890%0.89683%0.828SS**  trans-117.8154-162.148.50000115
282A32.4Very low38.9Very low104 Ų104138.3 Ų138.386%0.8682%0.82SS**  trans-140.4154.4155.500000109.8
283Q35.5Very low39.2Very low188 Ų188138.5 Ų138.588%0.87982%0.821SS**  trans-105.1156.3-167.1-68.6179.3-38.300114.4
284A31.3Very low39.8Very low99 Ų99136.6 Ų136.682%0.81882%0.819SS**  trans-146.5134.2147.300000109.7
285N32.6Very low40.3Very low160 Ų160135.3 Ų135.386%0.85681%0.813SS**  trans-74153.6172.1-64.2-22.1000110
286G33.5Very low40.9Very low66 Ų66136 Ų13668%0.6882%0.815SS**  cis145.4119.5-4.800000112
287I38.3Very low42Very low177 Ų177135.2 Ų135.291%0.90881%0.807SS**  trans-153.8132.3162.426.3171.8000108.2
288N35.6Very low43.2Very low181 Ų181136.2 Ų136.297%0.96881%0.805SS**  trans-84143.1-179.4-84.4-57.4000111.9
289G39.3Very low44.9Very low63 Ų63136.9 Ų136.965%0.64981%0.807SS**  trans-164.587.7175.300000108.9
290D42Very low46.6Very low160 Ų160134.4 Ų134.486%0.85680%0.803SS**  trans-67.2137-169.5-169.513000112.6
291I53.4Low48.6Very low110 Ų110134.8 Ų134.856%0.56479%0.792SS**  trans-143.4120.9177.7-57.6180000108
292P52.7Low50.3Low108 Ų108132.6 Ų132.670%0.70178%0.775SS**  trans-65.6144.5-177.325.8-34.3000112.6G294P292-G294 PolarHBondContact O-N 2.97Å
293P47.8Very low52Low139 Ų139131.9 Ų131.990%0.90376%0.764SS**THydrogen-bonded Turntrans-74123-175.129.1-34.5000112
294G55.3Low53.5Low73 Ų73130.2 Ų130.275%0.75376%0.76SS**THydrogen-bonded Turntrans174.5-28.6172.700000116.4P292 K296P292-G294 PolarHBondContact O-N 2.97Å; G294-K296 PolarHBondContact O-N 2.86Å
295L46Very low55.4Low146 Ų146129.2 Ų129.276%0.76475%0.752SS**  trans-89.3102.6-174.8-63.4179.7000112.8R297L295-R297 PolarHBondContact O-N 2.99Å
296K56Low57.1Low210 Ų210127.4 Ų127.491%0.91374%0.741SS**  trans-65.796.2166.3-69.7-172.9179.6-178.70110.1G294G294-K296 PolarHBondContact O-N 2.86Å
297R64Low59.3Low187 Ų187126.5 Ų126.571%0.70673%0.732SS**PPolyproline II helixtrans-77.3134.4164.6-64.5-174.8178.6105.3-2.3108.8L295L295-R297 PolarHBondContact O-N 2.99Å
298N68.3Low61.3Low150 Ų150123.9 Ų123.980%0.80273%0.726SS**PPolyproline II helixtrans-60.2141.2164.1-68.2-11.7000108.4L300N298-L300 PolarHBondContact O-N 3.29Å
299P72.4Confident63.4Low121 Ų121120.9 Ų120.979%0.78672%0.717SS**PPolyproline II helixtrans-59.2141.417426.3-33.8000109.5
300L73.9Confident65.2Low161 Ų161123.8 Ų123.884%0.84372%0.724SS**PPolyproline II helixtrans-58.6145.3172.2-72.2166.9000109.4N298 N302N298-L300 PolarHBondContact O-N 3.29Å; L300-N302 PolarHBondContact O-N 3.25Å
301P72.3Confident67.2Low82 Ų82120.8 Ų120.853%0.53272%0.722SS.*PPolyproline II helixtrans-55.5142.1171.626.2-35.2000109.7S303 L306P301-S303 PolarHBondContact O-N 3.02Å; P301-L306 HydrophobicContact CG-CD2 3.91Å
302N74.3Confident68.5Low99 Ų99125 Ų12553%0.52974%0.736SS.*PPolyproline II helixtrans-49.1135.2179.6-177.2-15.6000110L300 L304 A305L300-N302 PolarHBondContact O-N 3.25Å; N302-L304 PolarHBondContact O-N 3.09Å; N302-L304 VanDerWaalsContact O-N 3.11Å; N302-L304 PolarHBondContact OD1-N 3.47Å; N302-L304 VanDerWaalsContact OD1-N 3.09Å; N302-A305 WeakPolarHBondContact O-CA 3.23Å; N302-A305 WeakPolarHBondContact O-CB 3.36Å; N302-A305 PolarHBondContact O-N 3.06Å
303S66.8Low69.8Low90 Ų90125.7 Ų125.763%0.62974%0.74SS**G310 helixtrans-57-28.1-179.949.50000112.9P301 A305 L306P301-S303 PolarHBondContact O-N 3.02Å; S303-A305 PolarHBondContact O-N 3.12Å; S303-L306 PolarHBondContact O-N 3.28Å
304L68.5Low71.3Confident152 Ų152126.8 Ų126.880%0.79674%0.739SS**G310 helixtrans-65-21.2172.7-59.1177.6000113.7N302N302-L304 PolarHBondContact O-N 3.09Å; N302-L304 VanDerWaalsContact O-N 3.11Å; N302-L304 PolarHBondContact OD1-N 3.47Å; N302-L304 VanDerWaalsContact OD1-N 3.09Å
305A71.1Confident72.4Confident78 Ų78132.2 Ų132.265%0.64574%0.736SS**G310 helixtrans-95-2.1177.800000113.7N302 S303N302-A305 WeakPolarHBondContact O-CA 3.23Å; N302-A305 WeakPolarHBondContact O-CB 3.36Å; N302-A305 PolarHBondContact O-N 3.06Å; S303-A305 PolarHBondContact O-N 3.12Å
306L68.6Low73.9Confident123 Ų123129.9 Ų129.964%0.64473%0.73SS**SBendtrans-90-6.3178.1-67.7177.6000113.7P301 S303P301-L306 HydrophobicContact CG-CD2 3.91Å; S303-L306 PolarHBondContact O-N 3.28Å
307G78.4Confident75.1Confident46 Ų46125.4 Ų125.447%0.47472%0.722SS.*  trans71.6-178.7-176.300000113.7
308P81.7Confident75.6Confident123 Ų123125.5 Ų125.580%0.79973%0.728SS**SBendtrans-62.2139.4172.5-19.632.7000110.7
309P79.3Confident76Confident118 Ų118123.9 Ų123.977%0.76672%0.723SS**PPolyproline II helixtrans-61.5140.917526.8-34.1000110.1
310P76.4Confident76.1Confident123 Ų123123 Ų12380%0.79971%0.712SS**PPolyproline II helixtrans-59.9144.2-17924.9-34.2000111K312P310-K312 PolarHBondContact O-N 3.35Å
311A83.3Confident76.2Confident98 Ų98119.8 Ų119.881%0.8170%0.695SS**PPolyproline II helixtrans-55.7133.1177.900000110.4
312K81.1Confident76.2Confident197 Ų197119.5 Ų119.586%0.85769%0.689SS**PPolyproline II helixtrans-60.4130.3178.1-66.1177.8-178.4175.40108.6P310P310-K312 PolarHBondContact O-N 3.35Å
313P80.8Confident75.7Confident123 Ų123120.4 Ų120.480%0.79969%0.694SS**PPolyproline II helixtrans-58.5146.6175.625.7-34.1000109.6R315P313-R315 PolarHBondContact O-N 3.21Å
314N78.2Confident75.6Confident162 Ų162121.8 Ų121.887%0.86669%0.693SS**PPolyproline II helixtrans-59.3139.3-173.8-160.8-0.4000110.3
315R80.3Confident75.2Confident187 Ų187121 Ų12171%0.70668%0.683SS**PPolyproline II helixtrans-63.8129.3-171.8-163-178.1-158.7-84.33.3108.4P313P313-R315 PolarHBondContact O-N 3.21Å
316P77.3Confident74.5Confident97 Ų97126.4 Ų126.463%0.6369%0.687SS**PPolyproline II helixtrans-57.3149.5173.824.6-33.8000109.7
317P80.1Confident73.6Confident116 Ų116125.9 Ų125.975%0.75369%0.694SS**PPolyproline II helixtrans-53.4145.617723.8-33.9000109.8V319P317-V319 PolarHBondContact O-N 2.9Å
318K75.9Confident72.3Confident190 Ų190128 Ų12883%0.82671%0.707SS**  trans-62.6105.2173.4-76.6-176.2176.8-179.50107.9D320K318-D320 PolarHBondContact O-N 3.25Å
319V75.9Confident70.3Confident115 Ų115130.7 Ų130.770%0.69771%0.709SS**  trans-64.4120.8163.6179.70000106.7P317 L321P317-V319 PolarHBondContact O-N 2.9Å; V319-L321 HydrophobicContact CG1-CD2 4.14Å
320D74.8Confident68.2Low102 Ų102129.4 Ų129.455%0.54571%0.708SS.*  trans-73.9128.6172.2-167.9-11.2000109.1K318 D322K318-D320 PolarHBondContact O-N 3.25Å; D320-D322 WeakPolarHBondContact OD1-CB 3.45Å; D320-D322 PolarHBondContact OD1-N 3.29Å
321L75.7Confident66.5Low94 Ų94129.7 Ų129.749%0.49271%0.71SS.*  trans-102.4-1.7-178.4-59179.6000112.1V319 N323 I324 K325V319-L321 HydrophobicContact CG1-CD2 4.14Å; L321-N323 PolarHBondContact O-N 3.26Å; L321-I324 HydrophobicContact CD2-CD1 3.92Å; L321-I324 WeakPolarHBondContact O-CA 3.16Å; L321-I324 WeakPolarHBondContact O-CB 3.21Å; L321-I324 PolarHBondContact O-N 2.99Å; L321-K325 PolarHBondContact O-N 2.84Å
322D71.3Confident64.4Low77 Ų77134.2 Ų134.241%0.41271%0.714SS.*Hα-helixtrans-72.4-15.8-174.8-66.1-6.9000112.5D320 K325D320-D322 WeakPolarHBondContact OD1-CB 3.45Å; D320-D322 PolarHBondContact OD1-N 3.29Å; D322-K325 WeakPolarHBondContact OD1-CD 3.39Å; D322-K325 VanDerWaalsContact OD1-CE 3.23Å; D322-K325 WeakPolarHBondContact OD1-CE 3.38Å; D322-K325 IonicContact OD1-NZ 2.65Å; D322-K325 PolarHBondContact OD1-NZ 3.04Å
323N64.3Low62.3Low118 Ų118132.1 Ų132.163%0.63171%0.712SS**Hα-helixtrans-72.6-27.1165.3-68-28.8000113.2L321L321-N323 PolarHBondContact O-N 3.26Å
324I64.5Low60.1Low118 Ų118129.1 Ų129.161%0.60570%0.704SS**Hα-helixtrans-89.5-36-179.5-63163.5000110.3L321 R326 S327L321-I324 HydrophobicContact CD2-CD1 3.92Å; L321-I324 WeakPolarHBondContact O-CA 3.16Å; L321-I324 WeakPolarHBondContact O-CB 3.21Å; L321-I324 PolarHBondContact O-N 2.99Å; I324-R326 PolarHBondContact O-N 2.79Å; I324-S327 PolarHBondContact O-N 2.84Å
325K60.8Low58.7Low136 Ų136127.5 Ų127.559%0.59170%0.703SS**Hα-helixtrans-60.2-30.2173-66.4178.2-168.6161.90112.9L321 D322 S327 A328L321-K325 PolarHBondContact O-N 2.84Å; D322-K325 WeakPolarHBondContact OD1-CD 3.39Å; D322-K325 VanDerWaalsContact OD1-CE 3.23Å; D322-K325 WeakPolarHBondContact OD1-CE 3.38Å; D322-K325 IonicContact OD1-NZ 2.65Å; D322-K325 PolarHBondContact OD1-NZ 3.04Å; K325-S327 PolarHBondContact O-N 3.46Å; K325-A328 WeakPolarHBondContact O-CB 3.11Å; K325-A328 PolarHBondContact O-N 3.48Å
326R56.3Low56.2Low191 Ų191122 Ų12272%0.72170%0.703SS**THydrogen-bonded Turntrans-69.3-0.5-178-142.8-178.8-59.1-159.23.5114.8I324I324-R326 PolarHBondContact O-N 2.79Å
327S48.4Very low54.1Low113 Ų113127 Ų12779%0.7972%0.716SS**THydrogen-bonded Turntrans-96.98169.8-57.80000113.6I324 K325I324-S327 PolarHBondContact O-N 2.84Å; K325-S327 PolarHBondContact O-N 3.46Å
328A51.1Low52Low91 Ų91131.1 Ų131.175%0.75272%0.722SS**SBendtrans-113.814.7-177.600000114K325K325-A328 WeakPolarHBondContact O-CB 3.11Å; K325-A328 PolarHBondContact O-N 3.48Å
329E41.5Very low50.1Low178 Ų178131 Ų13183%0.83272%0.722SS**  trans-130.9120.9-178.9-153.2168.7125.800109.4
330A35.1Very low48.5Very low91 Ų91131.1 Ų131.175%0.75272%0.724SS**PPolyproline II helixtrans-101.2146.317700000109.6
331P39.1Very low46.4Very low130 Ų130131.8 Ų131.884%0.84473%0.732SS**PPolyproline II helixtrans-73.8149.4-169.330-36.2000113.5
332E39.6Very low45.4Very low193 Ų193132.6 Ų132.690%0.90274%0.743SS**PPolyproline II helixtrans-98.1138.9165.4-165.9-157.2-146.800110.4
333D37.8Very low43.6Very low152 Ų152136.3 Ų136.381%0.81377%0.768SS**  trans-162139160.9-160-69.2000106.5
334G34.5Very low42Very low61 Ų61134.6 Ų134.663%0.62977%0.77SS**  cis-173.8-129.72.800000107
335P48.9Very low41.4Very low128 Ų128134.8 Ų134.883%0.83178%0.779SS**  cis-137.7-179.6-13.341.8-25.5000113.6
336G27.8Very low40Very low70 Ų70132.9 Ų132.972%0.72278%0.783SS**  trans-168.4114.7172.100000117.8
337F33.7Very low38.7Very low204 Ų204130.3 Ų130.390%0.89578%0.784SS**  trans-22.1149166.9-65.2-102.4000118
338K35.6Very low38.2Very low202 Ų202132.1 Ų132.188%0.87878%0.78SS**  -160.4170.755.7-71.5172.8-173.5175.60114.1
339K34.5Very low37.3Very low188 Ų188133.1 Ų133.182%0.81778%0.777SS**  trans-97.5162.1172.7-160.9165.1175.8-177.60108.8
340P43Very low36.8Very low116 Ų116130.5 Ų130.575%0.75377%0.768SS**  cis-147.1-175.732.145.1-23.3000120.7
341T31.4Very low36.9Very low116 Ų116135.7 Ų135.771%0.71278%0.777SS**  trans-63.6-175.9170.735.60000117
342P54.4Low36.7Very low112 Ų112133.9 Ų133.973%0.72777%0.773SS**  cis-139.1164.2-22.732.4-13.2000116.5
343V32.8Very low36.8Very low154 Ų154130.3 Ų130.393%0.93377%0.766SS**  trans-152.3164.4151.4-141.40000112.3
344A31.9Very low36.6Very low82 Ų82131.1 Ų131.168%0.67877%0.765SS**  trans-137-159.3172.700000109.6
345P50.6Low36.4Very low122 Ų122132.4 Ų132.479%0.79276%0.761SS**  -111.9-139.1-77.539.9-27.2000112
346S31.4Very low35.7Very low96 Ų96135.2 Ų135.267%0.67176%0.763SS**  trans79.6122.9175.9-98.70000116.3
347N30.6Very low36.1Very low138 Ų138136.3 Ų136.374%0.73877%0.765SS**  80.3143.183.9-77.7-26.2000113.4
348Q36.8Very low36.5Very low150 Ų150132.2 Ų132.270%0.70176%0.759SS**  cis-151.2-158.7-3.9-132-162.963.500108.2
349T32.1Very low36.9Very low112 Ų112128.2 Ų128.269%0.68775%0.754SS**  cis-148.3-161.412.3-164.30000111.7
350N32.3Very low36.9Very low123 Ų123126 Ų12666%0.65876%0.757SS**  trans-104.9169.6-174-50-80000114.2
351H36.7Very low36.8Very low200 Ų200128.1 Ų128.193%0.92676%0.761SS**  -152.8146.8128.5-90.9-71.2000110.6
352A35.3Very low37.2Very low93 Ų93128.1 Ų128.177%0.76976%0.763SS**  trans-132-177.7-179.400000109.8
353P41.3Very low36.9Very low117 Ų117129.1 Ų129.176%0.7677%0.769SS**  cis-118.6-168.226.145.1-32.1000114.2
354Q32.8Very low36.9Very low169 Ų169127.5 Ų127.579%0.7976%0.759SS**  cis82.7148.216.1-120.1-170.5-105.700116
355T30.9Very low36.9Very low89 Ų89131.3 Ų131.355%0.54677%0.767SS.*  cis-160.4137.714.6-38.10000114.5
356Q33.6Very low36.7Very low187 Ų187130.9 Ų130.987%0.87476%0.764SS**  trans60.4169156.6-72.4168.915.800119.6
357A35.5Very low36.6Very low93 Ų93130.2 Ų130.277%0.76977%0.765SS**  cis-150.3-162.926.400000114.4
358P42.7Very low36.6Very low117 Ų117134.1 Ų134.176%0.7677%0.769SS**  trans-118.4-169.2-146.347.3-40.8000118.4
359P44.2Very low36.3Very low119 Ų119134.3 Ų134.377%0.77377%0.77SS**  trans-143.5129.9133.936.8-21000118.7
360T34.3Very low36.1Very low142 Ų142135.4 Ų135.487%0.87178%0.776SS**  48.8155.5129-22.20000125.8
361L40.5Very low36.1Very low160 Ų160133.5 Ų133.584%0.83878%0.778SS**  trans-99.9166.8-172.6-60.5159.1000115.3
362P40.7Very low35.7Very low116 Ų116132.2 Ų132.275%0.75377%0.774SS**  trans-108.7150.1152.937.3-29000114.1
363P47.3Very low35.5Very low133 Ų133133.6 Ų133.686%0.86477%0.768SS**  trans-98.2-167.3178.539.2-36.1000114.9
364V34.2Very low35.3Very low120 Ų120136 Ų13673%0.72777%0.77SS**  trans-137.3124.1-151.8163.90000114.2
365L32.3Very low35.5Very low161 Ų161132.1 Ų132.184%0.84376%0.761SS**  trans58.4-179.2154.4-63.9174000118.2
366P45.1Very low35.7Very low113 Ų113135.4 Ų135.473%0.73478%0.775SS**  cis-131.6179-12.436.7-18.2000116.6
367A29.6Very low35.9Very low83 Ų83133 Ų13369%0.68677%0.768SS**  trans83.5117.3134.800000125
368R29.8Very low36.3Very low219 Ų219134.3 Ų134.383%0.82677%0.767SS**  88.2133.1118.2-78-174.7171-179.2-3.7123.7
369H31.2Very low36.5Very low155 Ų155134 Ų13472%0.71877%0.765SS**  trans75.2134.1148.2-72.1-138.6000116.7
370V28.7Very low36.8Very low134 Ų134134.1 Ų134.181%0.81277%0.766SS**  cis99.314036.1168.80000112.1
371A30.9Very low37.7Very low84 Ų84132.8 Ų132.869%0.69476%0.759SS**  trans97125.2-16700000112.9
372M29.1Very low38.4Very low172 Ų172130.6 Ų130.685%0.84776%0.755SS**  71128.554.8-73.8-175.5158.500112
373N31.9Very low38.9Very low122 Ų122130.8 Ų130.865%0.65276%0.756SS**  cis-140.6-170.96.4-78.9-42.6000108.9
374Q37.2Very low38.6Very low168 Ų168130 Ų13079%0.78575%0.751SS**  cis-156.9-168.316.9-148.8138.354.300112.3
375S35.1Very low39Very low87 Ų87130.9 Ų130.961%0.60876%0.757SS**  trans-53.2163.8178.3540000114.5
376D36.2Very low39.1Very low158 Ų158132.8 Ų132.885%0.84576%0.758SS**  -154.9179.558-95.2-68.1000117.3
377D37.8Very low38.7Very low136 Ų136130.8 Ų130.873%0.72775%0.747SS**  trans-95.9178.3-163.7-173.1-147.2000115.1
378T43.5Very low39.2Very low121 Ų121135.2 Ų135.274%0.74275%0.753SS**  trans76.4157.8167.140.50000119.2
379P46.5Very low40.3Very low110 Ų110130.2 Ų130.271%0.71475%0.749SS**PPolyproline II helixtrans-96.8166.2-150.837.9-38.1000116.3
380P52.1Low40.5Very low122 Ų122127.7 Ų127.779%0.79275%0.749SS**PPolyproline II helixtrans-70.4142177.228.7-36000113.7
381P52.4Low40.9Very low114 Ų114128.2 Ų128.274%0.7474%0.742SS**PPolyproline II helixtrans-83.6163.617834.6-36.4000113.6
382P54.9Low40.9Very low115 Ų115134.3 Ų134.375%0.74775%0.748SS**PPolyproline II helixtrans-70.8157.1174.430.5-36000113.2
383P50.6Low41.7Very low120 Ų120130.6 Ų130.678%0.77974%0.744SS**PPolyproline II helixtrans-68.5156.2179.928.7-35.3000113.2
384P41.7Very low42.1Very low117 Ų117134.6 Ų134.676%0.7676%0.756SS**PPolyproline II helixtrans-85.6143.7-160.332.6-36.6000115
385V42.1Very low42.6Very low138 Ų138135 Ų13584%0.83676%0.758SS**PPolyproline II helixtrans-72.8129.6151.6-81.60000109.6
386F34.5Very low43.2Very low200 Ų200140 Ų14088%0.87777%0.771SS**PPolyproline II helixtrans-98.5142.8169-139.4-89.5000109.1
387S37.8Very low43.1Very low71 Ų71138.9 Ų138.950%0.49777%0.765SS.*  trans-161.7166.9-171.7-74.10000112.9
388H39.2Very low43.5Very low177 Ų177140 Ų14082%0.81977%0.771SS**  trans80.7161.4163-47.7-52.6000117.5
389P53.7Low43.7Very low114 Ų114140.4 Ų140.474%0.7477%0.769SS**  cis-142173-37.635.1-18.2000115.7
390S33.8Very low43.7Very low102 Ų102143.9 Ų143.971%0.71378%0.776SS**  trans68.7134.9164.9-113.40000115.4
391Q38.7Very low43.3Very low144 Ų144145.2 Ų145.267%0.67378%0.776SS**  cis-162.1174.57.1-136.6175.610300106.9
392R30.5Very low43.1Very low213 Ų213147.8 Ų147.880%0.80478%0.778SS**  cis-158161.416.7-174.2171.8174.488.22.5111.2
393A45.6Very low42.5Very low94 Ų94150.3 Ų150.378%0.77778%0.78SS**  trans-65.7136.6-177.600000115.8
394K39.3Very low42.6Very low206 Ų206150 Ų15090%0.89678%0.776SS**  trans-150.7160.8135.1-110.2-173.2174.4-165.40109.4
395E49.3Very low42.7Very low176 Ų176153 Ų15382%0.82277%0.773SS**  trans-82.9172.8178.1-64.3143.5117.600111.8
396E46.3Very low42.9Very low192 Ų192153.4 Ų153.490%0.89777%0.766SS**  trans64.3101.6170.9-54.5174161.500113.9
397N34.6Very low43.7Very low134 Ų134149.5 Ų149.572%0.71775%0.754SS**  -159.3170.556.2-162.230.5000112.7D399N397-D399 PolarHBondContact ND2-OD2 3.24Å; N397-D399 PolarHBondContact OD1-OD2 3.45Å
398D46.4Very low44.3Very low159 Ų159149.7 Ų149.785%0.8575%0.752SS**  trans-126.240.3-167.9-145.924.8000112.6
399D46.8Very low44.9Very low130 Ų130146.7 Ų146.770%0.69574%0.739SS**  trans-129.115.6-165.4-72.7-50.9000115.6N397N397-D399 PolarHBondContact ND2-OD2 3.24Å; N397-D399 PolarHBondContact OD1-OD2 3.45Å
400E48Very low45Very low183 Ų183146.1 Ų146.186%0.85573%0.729SS**  trans-1144.6-174.4-77-170.6178.300116.3
401D43.1Very low45.9Very low150 Ų150149.9 Ų149.980%0.80273%0.728SS**SBendtrans-83.7-15.3-176.9-84.1-9.4000115.1
402E47.4Very low46.3Very low169 Ų169151.5 Ų151.579%0.7973%0.728SS**SBendtrans-81.8-39-174.4-66.8-163.1135.200114.4V404 Y405E402-V404 VanDerWaalsContact C-N 3.28Å; E402-V404 PolarHBondContact O-N 3.1Å; E402-V404 VanDerWaalsContact O-N 3.16Å; E402-Y405 PolarHBondContact O-N 2.83Å; E402-Y405 VanDerWaalsContact O-N 3.09Å
403E43.8Very low47.6Very low168 Ų168145 Ų14579%0.78571%0.709SS**Hα-helixtrans-66.5-22.1-169.9-73.7-159.2-168.900114.6Y405E403-Y405 VanDerWaalsContact C-N 3.35Å
404V51.4Low48.1Very low113 Ų113146.5 Ų146.569%0.68570%0.7SS**Hα-helixtrans-77-22.7177.4-178.90000112.1E402E402-V404 VanDerWaalsContact C-N 3.28Å; E402-V404 PolarHBondContact O-N 3.1Å; E402-V404 VanDerWaalsContact O-N 3.16Å
405Y44.5Very low49Very low181 Ų181141.2 Ų141.271%0.7168%0.679SS**Hα-helixtrans-82-30.4175.4-101.3-89.4000112.8E402 E403 V408 E409E402-Y405 PolarHBondContact O-N 2.83Å; E402-Y405 VanDerWaalsContact O-N 3.09Å; E403-Y405 VanDerWaalsContact C-N 3.35Å; Y405-V408 PolarHBondContact O-N 2.96Å; Y405-E409 PolarHBondContact O-N 3.34Å
406E47Very low49.8Very low145 Ų145138.2 Ų138.268%0.67866%0.663SS**Hα-helixtrans-63.5-48.5179.3-67.4-147.7140.300112.7V408 E409 D410E406-V408 PolarHBondContact O-N 3.47Å; E406-E409 PolarHBondContact O-N 3.36Å; E406-D410 WeakPolarHBondContact O-CB 3.37Å; E406-D410 PolarHBondContact O-N 3.44Å
407D50.8Low50.9Low118 Ų118136.9 Ų136.963%0.63165%0.654SS**Hα-helixtrans-61.6-29.3179.7-176.368.8000112.9R411D407-R411 WeakPolarHBondContact O-CB 3.32Å; D407-R411 PolarHBondContact O-N 3.49Å
408V49.6Very low52.7Low75 Ų75136 Ų13646%0.45564%0.644SS.*Hα-helixtrans-77.4-49176.7-178.40000111.1Y405 E406 R411 W412Y405-V408 PolarHBondContact O-N 2.96Å; E406-V408 PolarHBondContact O-N 3.47Å; V408-R411 PolarHBondContact O-N 2.92Å; V408-W412 PolarHBondContact O-N 3.48Å
409E52Low53.8Low115 Ų115132.7 Ų132.754%0.53763%0.626SS.*Hα-helixtrans-66.9-43.4-179.7-165.869.2-137.300110.8Y405 E406 R411 W412 D413Y405-E409 PolarHBondContact O-N 3.34Å; E406-E409 PolarHBondContact O-N 3.36Å; E409-R411 VanDerWaalsContact C-N 3.26Å; E409-R411 PolarHBondContact O-N 3.01Å; E409-W412 CarbonylContact O-C 3.54Å; E409-W412 PolarHBondContact O-N 2.57Å; E409-W412 VanDerWaalsContact O-N 3.1Å; E409-D413 PolarHBondContact O-N 3.37Å
410D55.1Low55.2Low102 Ų102132 Ų13255%0.54562%0.622SS.*Hα-helixtrans-65.2-30.9178.7-153.826.9000111.4E406 Q414E406-D410 WeakPolarHBondContact O-CB 3.37Å; E406-D410 PolarHBondContact O-N 3.44Å; D410-Q414 VanDerWaalsContact O-CB 3.23Å; D410-Q414 WeakPolarHBondContact O-CB 3.41Å; D410-Q414 VanDerWaalsContact O-CG 3.23Å; D410-Q414 WeakPolarHBondContact O-CG 3.43Å; D410-Q414 PolarHBondContact O-N 3.29Å
411R52.6Low56.9Low180 Ų180130.7 Ų130.768%0.67961%0.614SS**Hα-helixtrans-70.3-42170.4-178.9170.6178.1163.3-3.3112.9D407 V408 E409 E415D407-R411 WeakPolarHBondContact O-CB 3.32Å; D407-R411 PolarHBondContact O-N 3.49Å; V408-R411 PolarHBondContact O-N 2.92Å; E409-R411 VanDerWaalsContact C-N 3.26Å; E409-R411 PolarHBondContact O-N 3.01Å; R411-E415 WeakPolarHBondContact O-CB 3.3Å; R411-E415 PolarHBondContact O-N 2.9Å
412W48.8Very low58.7Low179 Ų179127.5 Ų127.568%0.67859%0.594SS**Hα-helixtrans-65.9-38.7173.5-89.690.6000112.1V408 E409 E415 K416V408-W412 PolarHBondContact O-N 3.48Å; E409-W412 CarbonylContact O-C 3.54Å; E409-W412 PolarHBondContact O-N 2.57Å; E409-W412 VanDerWaalsContact O-N 3.1Å; W412-E415 PolarHBondContact O-N 2.93Å; W412-K416 VanDerWaalsContact O-CB 3.28Å; W412-K416 WeakPolarHBondContact O-CB 3.25Å; W412-K416 PolarHBondContact O-N 2.86Å
413D58.2Low60.4Low76 Ų76125.2 Ų125.241%0.40658%0.583SS.*Hα-helixtrans-78.7-29.4179.2-123.330.2000112.2E409 K416 K417E409-D413 PolarHBondContact O-N 3.37Å; D413-K416 IonicContact OD1-NZ 2.94Å; D413-K416 PolarHBondContact OD1-NZ 2.77Å; D413-K417 WeakPolarHBondContact O-CB 3.21Å; D413-K417 PolarHBondContact O-N 3.1Å
414Q55.4Low62.3Low126 Ų126124.5 Ų124.559%0.58958%0.578SS**Hα-helixtrans-62.1-43.8164.1-81.7-173.246.100112.1D410 K418D410-Q414 VanDerWaalsContact O-CB 3.23Å; D410-Q414 WeakPolarHBondContact O-CB 3.41Å; D410-Q414 VanDerWaalsContact O-CG 3.23Å; D410-Q414 WeakPolarHBondContact O-CG 3.43Å; D410-Q414 PolarHBondContact O-N 3.29Å; Q414-K418 WeakPolarHBondContact O-CB 3.34Å; Q414-K418 PolarHBondContact O-N 2.81Å
415E58.6Low63.7Low95 Ų95126.1 Ų126.144%0.44457%0.572SS.*Hα-helixtrans-64.4-48.7175.7-170.9120.3-101.300110.9R411 W412 K417 K418 D419R411-E415 WeakPolarHBondContact O-CB 3.3Å; R411-E415 PolarHBondContact O-N 2.9Å; W412-E415 PolarHBondContact O-N 2.93Å; E415-K417 VanDerWaalsContact C-N 3.34Å; E415-K417 PolarHBondContact O-N 3.04Å; E415-K418 CarbonylContact O-C 3.48Å; E415-K418 WeakPolarHBondContact O-CB 3.5Å; E415-K418 PolarHBondContact O-N 2.75Å; E415-K418 VanDerWaalsContact O-N 3.14Å; E415-K418 IonicContact OE1-NZ 2.63Å; E415-K418 PolarHBondContact OE1-NZ 2.89Å; E415-D419 PolarHBondContact O-N 2.8Å
416K66Low65.3Low113 Ų113126.6 Ų126.649%0.49157%0.572SS.*Hα-helixtrans-57.2-43.3176.1-166.5-165.9-78.9109.90111.9W412 D413 D419 D420W412-K416 VanDerWaalsContact O-CB 3.28Å; W412-K416 WeakPolarHBondContact O-CB 3.25Å; W412-K416 PolarHBondContact O-N 2.86Å; D413-K416 IonicContact OD1-NZ 2.94Å; D413-K416 PolarHBondContact OD1-NZ 2.77Å; K416-D419 PolarHBondContact O-N 2.73Å; K416-D420 WeakPolarHBondContact O-CB 3.32Å; K416-D420 PolarHBondContact O-N 3.07Å
417K69.8Low66.5Low163 Ų163122.9 Ų122.971%0.70956%0.557SS**Hα-helixtrans-72.8-25.3179-173.6177.6-170.1170.50113.5D413 E415 K421D413-K417 WeakPolarHBondContact O-CB 3.21Å; D413-K417 PolarHBondContact O-N 3.1Å; E415-K417 VanDerWaalsContact C-N 3.34Å; E415-K417 PolarHBondContact O-N 3.04Å; K417-K421 WeakPolarHBondContact O-CB 3.49Å
418K72.3Confident68Low117 Ų117124 Ų12451%0.50956%0.558SS.*Hα-helixtrans-75.7-41.5169.6166.2-173.4151.2-144.70110.4Q414 E415 K421 E422Q414-K418 WeakPolarHBondContact O-CB 3.34Å; Q414-K418 PolarHBondContact O-N 2.81Å; E415-K418 CarbonylContact O-C 3.48Å; E415-K418 WeakPolarHBondContact O-CB 3.5Å; E415-K418 PolarHBondContact O-N 2.75Å; E415-K418 VanDerWaalsContact O-N 3.14Å; E415-K418 IonicContact OE1-NZ 2.63Å; E415-K418 PolarHBondContact OE1-NZ 2.89Å; K418-K421 CarbonylContact O-C 3.56Å; K418-K421 WeakPolarHBondContact O-CB 3.29Å; K418-K421 PolarHBondContact O-N 3.36Å; K418-E422 WeakPolarHBondContact O-CB 3.21Å; K418-E422 PolarHBondContact O-N 2.98Å
419D68.6Low69.5Low89 Ų89123 Ų12348%0.47656%0.557SS.*Hα-helixtrans-71.1-39.9177.1-83.310000112.9E415 K416 K421 E422 E423E415-D419 PolarHBondContact O-N 2.8Å; K416-D419 PolarHBondContact O-N 2.73Å; D419-K421 PolarHBondContact O-N 2.86Å; D419-E422 CarbonylContact O-C 3.55Å; D419-E422 WeakPolarHBondContact O-CB 3.43Å; D419-E422 PolarHBondContact O-N 2.79Å; D419-E422 VanDerWaalsContact O-N 3.12Å; D419-E423 WeakPolarHBondContact O-CB 3.2Å; D419-E423 PolarHBondContact O-N 3.12Å
420D76.9Confident70.7Confident115 Ų115120.6 Ų120.662%0.61555%0.553SS**Hα-helixtrans-56.7-35.8170.1-114.438.2000111.4K416 K424K416-D420 WeakPolarHBondContact O-CB 3.32Å; K416-D420 PolarHBondContact O-N 3.07Å; D420-K424 WeakPolarHBondContact O-CB 3.22Å; D420-K424 PolarHBondContact O-N 2.82Å
421K83.6Confident72.1Confident156 Ų156120.3 Ų120.368%0.67855%0.547SS*.Hα-helixtrans-78.2-34.9177.8-174.2-179.7179.2-176.70112K417 K418 D419 R425K417-K421 WeakPolarHBondContact O-CB 3.49Å; K418-K421 CarbonylContact O-C 3.56Å; K418-K421 WeakPolarHBondContact O-CB 3.29Å; K418-K421 PolarHBondContact O-N 3.36Å; D419-K421 PolarHBondContact O-N 2.86Å; K421-R425 WeakPolarHBondContact O-CB 3.47Å; K421-R425 PolarHBondContact O-N 2.9Å; K421-R425 VanDerWaalsContact O-N 3.1Å
422E81.3Confident73.6Confident83 Ų83119.4 Ų119.439%0.38855%0.548SS..Hα-helixtrans-66.1-50.9172.2-173.874.2-150.100110.8K418 D419 R425 R426K418-E422 WeakPolarHBondContact O-CB 3.21Å; K418-E422 PolarHBondContact O-N 2.98Å; D419-E422 CarbonylContact O-C 3.55Å; D419-E422 WeakPolarHBondContact O-CB 3.43Å; D419-E422 PolarHBondContact O-N 2.79Å; D419-E422 VanDerWaalsContact O-N 3.12Å; E422-R425 VanDerWaalsContact CD-NH1 3.28Å; E422-R425 VanDerWaalsContact CD-NH2 3.26Å; E422-R425 WeakPolarHBondContact O-CB 3.33Å; E422-R425 PolarHBondContact O-N 2.91Å; E422-R425 IonicContact OE1-CZ 2.73Å; E422-R425 IonicContact OE1-NH1 2.94Å; E422-R425 IonicContact OE1-NH2 2.63Å; E422-R425 PolarHBondContact OE1-NH2 3.15Å; E422-R425 IonicContact OE2-CZ 3.22Å; E422-R425 IonicContact OE2-NH1 3.31Å; E422-R425 PolarHBondContact OE2-NH1 2.67Å; E422-R425 IonicContact OE2-NH2 2.68Å; E422-R425 PolarHBondContact OE2-NH2 2.71Å; E422-R426 WeakPolarHBondContact O-CB 3.39Å; E422-R426 PolarHBondContact O-N 2.78Å
423E81.8Confident75.3Confident120 Ų120116.8 Ų116.856%0.56154%0.544SS*.Hα-helixtrans-64.2-45.5178-168.3-173.9-137.100110.7D419 R425 R426 L427D419-E423 WeakPolarHBondContact O-CB 3.2Å; D419-E423 PolarHBondContact O-N 3.12Å; E423-R425 VanDerWaalsContact C-N 3.27Å; E423-R425 PolarHBondContact O-N 3.19Å; E423-R426 CarbonylContact O-C 3.44Å; E423-R426 PolarHBondContact O-N 2.73Å; E423-R426 VanDerWaalsContact O-N 3.1Å; E423-L427 VanDerWaalsContact O-CB 3.26Å; E423-L427 WeakPolarHBondContact O-CB 3.28Å; E423-L427 PolarHBondContact O-N 2.79Å
424K83.8Confident76.3Confident154 Ų154118.8 Ų118.867%0.6755%0.55SS**Hα-helixtrans-56.5-41.6174-176.8175-179.9177.80112D420 E428D420-K424 WeakPolarHBondContact O-CB 3.22Å; D420-K424 PolarHBondContact O-N 2.82Å; K424-E428 WeakPolarHBondContact O-CB 3.46Å; K424-E428 PolarHBondContact O-N 2.85Å
425R80.6Confident77.6Confident147 Ų147119.9 Ų119.956%0.55555%0.553SS**Hα-helixtrans-65.4-43.5174.6-169.1-176.882.9-117.91.9111.8K421 E422 E423 A429K421-R425 WeakPolarHBondContact O-CB 3.47Å; K421-R425 PolarHBondContact O-N 2.9Å; K421-R425 VanDerWaalsContact O-N 3.1Å; E422-R425 VanDerWaalsContact CD-NH1 3.28Å; E422-R425 VanDerWaalsContact CD-NH2 3.26Å; E422-R425 WeakPolarHBondContact O-CB 3.33Å; E422-R425 PolarHBondContact O-N 2.91Å; E422-R425 IonicContact OE1-CZ 2.73Å; E422-R425 IonicContact OE1-NH1 2.94Å; E422-R425 IonicContact OE1-NH2 2.63Å; E422-R425 PolarHBondContact OE1-NH2 3.15Å; E422-R425 IonicContact OE2-CZ 3.22Å; E422-R425 IonicContact OE2-NH1 3.31Å; E422-R425 PolarHBondContact OE2-NH1 2.67Å; E422-R425 IonicContact OE2-NH2 2.68Å; E422-R425 PolarHBondContact OE2-NH2 2.71Å; E423-R425 VanDerWaalsContact C-N 3.27Å; E423-R425 PolarHBondContact O-N 3.19Å; R425-A429 VanDerWaalsContact O-CB 3.31Å; R425-A429 WeakPolarHBondContact O-CB 3.24Å; R425-A429 PolarHBondContact O-N 2.86Å
426R78.6Confident78.7Confident191 Ų191120 Ų12072%0.72155%0.554SS**Hα-helixtrans-66.8-38.2179.2-179.7177.9170.1-169.2-4.8112.4E422 E423 S430E422-R426 WeakPolarHBondContact O-CB 3.39Å; E422-R426 PolarHBondContact O-N 2.78Å; E423-R426 CarbonylContact O-C 3.44Å; E423-R426 PolarHBondContact O-N 2.73Å; E423-R426 VanDerWaalsContact O-N 3.1Å; R426-S430 VanDerWaalsContact O-CB 3.29Å; R426-S430 WeakPolarHBondContact O-CB 3.4Å; R426-S430 PolarHBondContact O-N 3.02Å
427L72.9Confident79.3Confident67 Ų67120.4 Ų120.435%0.35155%0.552SS.*Hα-helixtrans-76.7-36178.8-154.5162.5000110.9E423 K431 K633E423-L427 VanDerWaalsContact O-CB 3.26Å; E423-L427 WeakPolarHBondContact O-CB 3.28Å; E423-L427 PolarHBondContact O-N 2.79Å; L427-K431 VanDerWaalsContact O-CB 3.26Å; L427-K431 WeakPolarHBondContact O-CB 3.36Å; L427-K431 PolarHBondContact O-N 2.88Å; L427-K633 VanDerWaalsContact CD1-NZ 3.3Å
428E81.4Confident79.9Confident141 Ų141117.7 Ų117.766%0.65954%0.542SS*.Hα-helixtrans-65.6-41.3168.9-175167-166.500112K424 K431 K432K424-E428 WeakPolarHBondContact O-CB 3.46Å; K424-E428 PolarHBondContact O-N 2.85Å; E428-K431 PolarHBondContact O-N 3.46Å; E428-K432 WeakPolarHBondContact O-CB 3.16Å; E428-K432 PolarHBondContact O-N 2.74Å
429A80.4Confident80.5Confident53 Ų53119.5 Ų119.544%0.43855%0.55SS..Hα-helixtrans-61.5-49.9173.200000111.9R425 K431 K432 E433R425-A429 VanDerWaalsContact O-CB 3.31Å; R425-A429 WeakPolarHBondContact O-CB 3.24Å; R425-A429 PolarHBondContact O-N 2.86Å; A429-K431 VanDerWaalsContact C-N 3.34Å; A429-K431 PolarHBondContact O-N 2.91Å; A429-K432 WeakPolarHBondContact O-CB 3.48Å; A429-K432 PolarHBondContact O-N 2.81Å; A429-K432 VanDerWaalsContact O-N 3.12Å; A429-E433 WeakPolarHBondContact O-CB 3.46Å; A429-E433 PolarHBondContact O-N 3.06Å
430S78.6Confident81.3Confident65 Ų65118.8 Ų118.846%0.45554%0.543SS..Hα-helixtrans-59.5-41.3175.8177.10000112.1R426 K432 E433 Q434R426-S430 VanDerWaalsContact O-CB 3.29Å; R426-S430 WeakPolarHBondContact O-CB 3.4Å; R426-S430 PolarHBondContact O-N 3.02Å; S430-K432 VanDerWaalsContact C-N 3.33Å; S430-K432 PolarHBondContact O-N 2.82Å; S430-E433 PolarHBondContact O-N 3.15Å; S430-Q434 VanDerWaalsContact O-CB 3.31Å; S430-Q434 WeakPolarHBondContact O-CB 3.45Å; S430-Q434 PolarHBondContact O-N 2.94Å
431K83.9Confident81.5Confident96 Ų96115.4 Ų115.442%0.41752%0.523SS..Hα-helixtrans-66-33.5175.2-175.7160.6-174.1141.20113.1L427 E428 A429 K435L427-K431 VanDerWaalsContact O-CB 3.26Å; L427-K431 WeakPolarHBondContact O-CB 3.36Å; L427-K431 PolarHBondContact O-N 2.88Å; E428-K431 PolarHBondContact O-N 3.46Å; A429-K431 VanDerWaalsContact C-N 3.34Å; A429-K431 PolarHBondContact O-N 2.91Å; K431-K435 WeakPolarHBondContact O-CB 3.4Å; K431-K435 PolarHBondContact O-N 2.86Å
432K84.8Confident81.5Confident161 Ų161112.9 Ų112.970%0.751%0.514SS*.Hα-helixtrans-69.6-42.6172.9-179.3-173.9173.7-169.90111.2E428 A429 S430 K435 E436E428-K432 WeakPolarHBondContact O-CB 3.16Å; E428-K432 PolarHBondContact O-N 2.74Å; A429-K432 WeakPolarHBondContact O-CB 3.48Å; A429-K432 PolarHBondContact O-N 2.81Å; A429-K432 VanDerWaalsContact O-N 3.12Å; S430-K432 VanDerWaalsContact C-N 3.33Å; S430-K432 PolarHBondContact O-N 2.82Å; K432-K435 PolarHBondContact O-N 2.92Å; K432-E436 PolarHBondContact O-N 3.49Å; K432-E436 VanDerWaalsContact O-N 3.1Å
433E83.9Confident81.6Confident125 Ų125114.2 Ų114.258%0.58452%0.52SS*.Hα-helixtrans-65.2-47.1176.8-173.4-175160.100111.8A429 S430 K435 E436 R437A429-E433 WeakPolarHBondContact O-CB 3.46Å; A429-E433 PolarHBondContact O-N 3.06Å; S430-E433 PolarHBondContact O-N 3.15Å; E433-K435 VanDerWaalsContact C-N 3.28Å; E433-K435 PolarHBondContact O-N 3.16Å; E433-E436 CarbonylContact O-C 3.57Å; E433-E436 WeakPolarHBondContact O-CA 3.31Å; E433-E436 WeakPolarHBondContact O-CB 3.29Å; E433-E436 PolarHBondContact O-N 3.09Å; E433-R437 PolarHBondContact O-N 2.95Å
434Q78.8Confident81.8Confident117 Ų117108.7 Ų108.755%0.54750%0.495SS..Hα-helixtrans-55.6-43.7176-173-17816.600111.2S430 E436 R437 E438S430-Q434 VanDerWaalsContact O-CB 3.31Å; S430-Q434 WeakPolarHBondContact O-CB 3.45Å; S430-Q434 PolarHBondContact O-N 2.94Å; Q434-E436 VanDerWaalsContact C-N 3.32Å; Q434-E436 PolarHBondContact O-N 2.93Å; Q434-R437 WeakPolarHBondContact O-CB 3.38Å; Q434-R437 PolarHBondContact O-N 2.77Å; Q434-E438 WeakPolarHBondContact O-CB 3.39Å; Q434-E438 PolarHBondContact O-N 2.83Å
435K82.3Confident81.7Confident149 Ų149104.8 Ų104.865%0.64848%0.476SS*.Hα-helixtrans-67.2-29.5175.1-175171.9-177.9172.40113.3K431 K432 E433 K439K431-K435 WeakPolarHBondContact O-CB 3.4Å; K431-K435 PolarHBondContact O-N 2.86Å; K432-K435 PolarHBondContact O-N 2.92Å; E433-K435 VanDerWaalsContact C-N 3.28Å; E433-K435 PolarHBondContact O-N 3.16Å; K435-K439 WeakPolarHBondContact O-CB 3.31Å; K435-K439 PolarHBondContact O-N 2.77Å; K435-K439 VanDerWaalsContact O-N 3.15Å
436E82.4Confident82Confident99 Ų99106.6 Ų106.646%0.46349%0.488SS..Hα-helixtrans-73.4-39.9171.1-165.3-173.6116.800111.6K432 E433 Q434 K439 K440K432-E436 PolarHBondContact O-N 3.49Å; K432-E436 VanDerWaalsContact O-N 3.1Å; E433-E436 CarbonylContact O-C 3.57Å; E433-E436 WeakPolarHBondContact O-CA 3.31Å; E433-E436 WeakPolarHBondContact O-CB 3.29Å; E433-E436 PolarHBondContact O-N 3.09Å; Q434-E436 VanDerWaalsContact C-N 3.32Å; Q434-E436 PolarHBondContact O-N 2.93Å; E436-K439 PolarHBondContact O-N 2.99Å; E436-K440 HydrophobicContact CG-CD 4.38Å; E436-K440 WeakPolarHBondContact O-CB 3.47Å; E436-K440 WeakPolarHBondContact O-CG 3.41Å; E436-K440 PolarHBondContact O-N 3Å; E436-K440 WeakPolarHBondContact OE1-CE 3.43Å; E436-K440 IonicContact OE1-NZ 3.16Å; E436-K440 PolarHBondContact OE1-NZ 2.82Å
437R77.8Confident82.3Confident120 Ų120101.1 Ų101.145%0.45347%0.469SS..Hα-helixtrans-63-46.8176.4-149.5-177.4-154.1-171.27.5110.9E433 Q434 K439 K440 E441 T499E433-R437 PolarHBondContact O-N 2.95Å; Q434-R437 WeakPolarHBondContact O-CB 3.38Å; Q434-R437 PolarHBondContact O-N 2.77Å; R437-K439 VanDerWaalsContact C-N 3.34Å; R437-K439 PolarHBondContact O-N 3.04Å; R437-K440 WeakPolarHBondContact O-CB 3.46Å; R437-K440 PolarHBondContact O-N 3.08Å; R437-E441 WeakPolarHBondContact O-CB 3.35Å; R437-E441 PolarHBondContact O-N 2.97Å; R437-T499 PolarHBondContact NH2-O 3.12Å
438E82.5Confident82.9Confident107 Ų10798.5 Ų98.550%0.546%0.455SS..Hα-helixtrans-56.9-45.4171.7-171.8-155.515600111.1Q434 E441 Q442Q434-E438 WeakPolarHBondContact O-CB 3.39Å; Q434-E438 PolarHBondContact O-N 2.83Å; E438-E441 WeakPolarHBondContact O-CB 3.21Å; E438-E441 PolarHBondContact O-N 3.36Å; E438-Q442 VanDerWaalsContact O-CG 3.3Å; E438-Q442 WeakPolarHBondContact O-CG 3.39Å; E438-Q442 PolarHBondContact O-N 3.24Å
439K86.6Confident83.1Confident154 Ų154100.1 Ų100.167%0.6746%0.46SS*.Hα-helixtrans-64.2-42.8176.3-175.8-164.7169-1600112.4K435 E436 R437 E441 Q442 E443K435-K439 WeakPolarHBondContact O-CB 3.31Å; K435-K439 PolarHBondContact O-N 2.77Å; K435-K439 VanDerWaalsContact O-N 3.15Å; E436-K439 PolarHBondContact O-N 2.99Å; R437-K439 VanDerWaalsContact C-N 3.34Å; R437-K439 PolarHBondContact O-N 3.04Å; K439-E441 VanDerWaalsContact C-N 3.29Å; K439-Q442 PolarHBondContact O-N 3.31Å; K439-E443 PolarHBondContact O-N 2.65Å
440K83.9Confident83.1Confident75 Ų7598.9 Ų98.933%0.32645%0.446SS..Hα-helixtrans-60.9-40.8174.1-79.7164.1163.9164.70110.6E436 R437 E443 A444E436-K440 HydrophobicContact CG-CD 4.38Å; E436-K440 WeakPolarHBondContact O-CB 3.47Å; E436-K440 WeakPolarHBondContact O-CG 3.41Å; E436-K440 PolarHBondContact O-N 3Å; E436-K440 WeakPolarHBondContact OE1-CE 3.43Å; E436-K440 IonicContact OE1-NZ 3.16Å; E436-K440 PolarHBondContact OE1-NZ 2.82Å; R437-K440 WeakPolarHBondContact O-CB 3.46Å; R437-K440 PolarHBondContact O-N 3.08Å; K440-E443 PolarHBondContact O-N 2.8Å; K440-A444 WeakPolarHBondContact O-CB 3.33Å; K440-A444 PolarHBondContact O-N 3.42Å
441E81.9Confident82.4Confident44 Ų44102.6 Ų102.621%0.20647%0.466CS..Hα-helixtrans-66.3-44.3175.8-169.4179.5146.800112.1R437 E438 K439 E443 A444 R445 L454 I503R437-E441 WeakPolarHBondContact O-CB 3.35Å; R437-E441 PolarHBondContact O-N 2.97Å; E438-E441 WeakPolarHBondContact O-CB 3.21Å; E438-E441 PolarHBondContact O-N 3.36Å; K439-E441 VanDerWaalsContact C-N 3.29Å; E441-E443 VanDerWaalsContact C-N 3.34Å; E441-E443 PolarHBondContact O-N 3.3Å; E441-A444 CarbonylContact O-C 3.59Å; E441-A444 WeakPolarHBondContact O-CA 3.47Å; E441-A444 WeakPolarHBondContact O-CB 3.37Å; E441-A444 PolarHBondContact O-N 2.69Å; E441-A444 VanDerWaalsContact O-N 3.08Å; E441-R445 HydrophobicContact CG-CG 4.37Å; E441-R445 WeakPolarHBondContact O-CB 3.49Å; E441-R445 WeakPolarHBondContact O-CG 3.02Å; E441-R445 PolarHBondContact O-N 2.99Å; E441-R445 IonicContact OE1-CZ 2.97Å; E441-R445 VanDerWaalsContact OE1-CZ 3.22Å; E441-R445 IonicContact OE1-NE 3.42Å; E441-R445 PolarHBondContact OE1-NE 2.79Å; E441-R445 IonicContact OE1-NH2 2.69Å; E441-R445 PolarHBondContact OE1-NH2 3.1Å; E441-L454 HydrophobicContact CG-CD1 3.96Å; E441-L454 HydrophobicContact CG-CD2 4.04Å; E441-L454 HydrophobicContact CG-CG 4.44Å; E441-I503 HydrophobicContact CG-CD1 4.45Å
442Q82.4Confident81.7Confident103 Ų10399.8 Ų99.848%0.48146%0.464SS..Hα-helixtrans-64.7-36.2175.4-69.2-70.80.800112.2E438 K439 K446E438-Q442 VanDerWaalsContact O-CG 3.3Å; E438-Q442 WeakPolarHBondContact O-CG 3.39Å; E438-Q442 PolarHBondContact O-N 3.24Å; K439-Q442 PolarHBondContact O-N 3.31Å; Q442-K446 WeakPolarHBondContact O-CB 3.47Å; Q442-K446 PolarHBondContact O-N 2.68Å
443E84.7Confident80.9Confident110 Ų11095.9 Ų95.951%0.51446%0.455SS..Hα-helixtrans-61.5-47.1168.2-170.4-173.3132.800110.3K439 K440 E441 K446 K447K439-E443 PolarHBondContact O-N 2.65Å; K440-E443 PolarHBondContact O-N 2.8Å; E441-E443 VanDerWaalsContact C-N 3.34Å; E441-E443 PolarHBondContact O-N 3.3Å; E443-K446 PolarHBondContact O-N 2.94Å; E443-K447 HydrophobicContact CG-CD 4.34Å; E443-K447 WeakPolarHBondContact O-CB 3.1Å; E443-K447 PolarHBondContact O-N 2.81Å; E443-K447 IonicContact OE1-NZ 2.74Å; E443-K447 PolarHBondContact OE1-NZ 3.33Å
444A85.8Confident80.4Confident4 Ų490.7 Ų90.73%0.03343%0.432CS..Hα-helixtrans-63.1-46-179.800000113.2K440 E441 K446 K447 F448 I503K440-A444 WeakPolarHBondContact O-CB 3.33Å; K440-A444 PolarHBondContact O-N 3.42Å; E441-A444 CarbonylContact O-C 3.59Å; E441-A444 WeakPolarHBondContact O-CA 3.47Å; E441-A444 WeakPolarHBondContact O-CB 3.37Å; E441-A444 PolarHBondContact O-N 2.69Å; E441-A444 VanDerWaalsContact O-N 3.08Å; A444-K446 VanDerWaalsContact C-N 3.28Å; A444-K446 PolarHBondContact O-N 3.12Å; A444-K447 PolarHBondContact O-N 3.33Å; A444-K447 VanDerWaalsContact O-N 3.12Å; A444-F448 HydrophobicContact CB-CD2 3.98Å; A444-F448 HydrophobicContact CB-CE2 4.3Å; A444-F448 WeakPolarHBondContact O-CB 3.37Å; A444-F448 WeakPolarHBondContact O-CD2 3.3Å; A444-F448 PolarHBondContact O-N 2.74Å; A444-I503 HydrophobicContact CB-CB 3.74Å; A444-I503 HydrophobicContact CB-CD1 3.42Å; A444-I503 VanDerWaalsContact CB-CD1 3.42Å; A444-I503 HydrophobicContact CB-CG1 4.19Å; A444-I503 HydrophobicContact CB-CG2 3.88Å
445R82.3Confident80.4Confident72 Ų7291.1 Ų91.127%0.27243%0.434SS..Hα-helixtrans-52-48174.2-73.4176-176.9-147.16110.4E441 K449 L450 L454E441-R445 HydrophobicContact CG-CG 4.37Å; E441-R445 WeakPolarHBondContact O-CB 3.49Å; E441-R445 WeakPolarHBondContact O-CG 3.02Å; E441-R445 PolarHBondContact O-N 2.99Å; E441-R445 IonicContact OE1-CZ 2.97Å; E441-R445 VanDerWaalsContact OE1-CZ 3.22Å; E441-R445 IonicContact OE1-NE 3.42Å; E441-R445 PolarHBondContact OE1-NE 2.79Å; E441-R445 IonicContact OE1-NH2 2.69Å; E441-R445 PolarHBondContact OE1-NH2 3.1Å; R445-K449 WeakPolarHBondContact O-CA 3.46Å; R445-K449 PolarHBondContact O-N 2.93Å; R445-K449 VanDerWaalsContact O-N 3.1Å; R445-L450 HydrophobicContact CG-CB 4.48Å; R445-L450 PolarHBondContact O-N 2.82Å; R445-L450 VanDerWaalsContact O-N 3.08Å; R445-L454 HydrophobicContact CG-CD1 3.59Å
446K86.3Confident80.7Confident185 Ų18585.8 Ų85.880%0.80441%0.413SS*.Hα-helixtrans-68.5-39.6176.1-177.6174.3-179.5174.10114.1Q442 E443 A444Q442-K446 WeakPolarHBondContact O-CB 3.47Å; Q442-K446 PolarHBondContact O-N 2.68Å; E443-K446 PolarHBondContact O-N 2.94Å; A444-K446 VanDerWaalsContact C-N 3.28Å; A444-K446 PolarHBondContact O-N 3.12Å
447K84.4Confident80.9Confident77 Ų7784.6 Ų84.634%0.33541%0.409SS..Hα-helixtrans-80.6-32.3-171.3-178.3177.5-175.8175.10113.4E443 A444 K470 M471E443-K447 HydrophobicContact CG-CD 4.34Å; E443-K447 WeakPolarHBondContact O-CB 3.1Å; E443-K447 PolarHBondContact O-N 2.81Å; E443-K447 IonicContact OE1-NZ 2.74Å; E443-K447 PolarHBondContact OE1-NZ 3.33Å; A444-K447 PolarHBondContact O-N 3.33Å; A444-K447 VanDerWaalsContact O-N 3.12Å; K447-K470 WeakPolarHBondContact CE-O 3.49Å; K447-K470 PolarHBondContact NZ-O 3.23Å; K447-M471 HydrophobicContact CG-CE 4.24Å
448F85.5Confident81.4Confident12 Ų1280.4 Ų80.45%0.05340%0.395CS..Hα-helixtrans-111.44.7-178.7-58-72.5000113.4A444 L450 M471 L495 I503 Y505A444-F448 HydrophobicContact CB-CD2 3.98Å; A444-F448 HydrophobicContact CB-CE2 4.3Å; A444-F448 WeakPolarHBondContact O-CB 3.37Å; A444-F448 WeakPolarHBondContact O-CD2 3.3Å; A444-F448 PolarHBondContact O-N 2.74Å; F448-L450 HydrophobicContact CB-CD1 4.45Å; F448-L450 HydrophobicContact CB-CG 4.16Å; F448-M471 HydrophobicContact CD1-CE 4.08Å; F448-M471 HydrophobicContact CE1-CB 4.14Å; F448-M471 HydrophobicContact CE1-CE 3.85Å; F448-M471 HydrophobicContact CZ-CB 4.47Å; F448-L495 HydrophobicContact CB-CD1 4.23Å; F448-L495 HydrophobicContact CB-CD2 3.75Å; F448-L495 HydrophobicContact CD1-CD1 3.42Å; F448-L495 VanDerWaalsContact CD1-CD1 3.42Å; F448-L495 HydrophobicContact CD1-CD2 4.48Å; F448-L495 HydrophobicContact CD2-CD1 3.98Å; F448-L495 HydrophobicContact CD2-CD2 4.22Å; F448-L495 HydrophobicContact CE1-CD1 3.61Å; F448-L495 HydrophobicContact CE2-CD1 4.17Å; F448-L495 HydrophobicContact CG-CD1 3.61Å; F448-L495 HydrophobicContact CG-CD2 3.92Å; F448-L495 HydrophobicContact CG-CG 4.46Å; F448-L495 HydrophobicContact CZ-CD1 4Å; F448-I503 HydrophobicContact CD2-CG2 4.08Å; F448-I503 HydrophobicContact CE2-CG2 4.07Å; F448-I503 WeakPolarHBondContact CE2-O 3.36Å; F448-Y505 HydrophobicContact CD1-CD2 4.46Å; F448-Y505 HydrophobicContact CD1-CE1 4.14Å; F448-Y505 AromaticContact CD1-CE2 3.85Å; F448-Y505 HydrophobicContact CD1-CE2 3.85Å; F448-Y505 AromaticContact CD1-CZ 3.66Å; F448-Y505 AromaticContact CE1-CD2 3.95Å; F448-Y505 HydrophobicContact CE1-CD2 3.95Å; F448-Y505 HydrophobicContact CE1-CE1 4.48Å; F448-Y505 AromaticContact CE1-CE2 3.71Å; F448-Y505 HydrophobicContact CE1-CE2 3.71Å; F448-Y505 HydrophobicContact CE1-CG 4.45Å; F448-Y505 AromaticContact CE1-CZ 3.99Å
449K85.6Confident81.9Confident175 Ų17580.2 Ų80.276%0.76139%0.392SS*.THydrogen-bonded Turntrans53.256.8179.1-53.3176-175.9177.50111.5R445 R485R445-K449 WeakPolarHBondContact O-CA 3.46Å; R445-K449 PolarHBondContact O-N 2.93Å; R445-K449 VanDerWaalsContact O-N 3.1Å; K449-R485 PolarHBondContact O-NH1 2.95Å
450L80.5Confident82.1Confident26 Ų2673 Ų7314%0.13636%0.362CS..  trans-92.3132.8176-56.1171.2000109.4R445 F448 L454 V484 R485 L495R445-L450 HydrophobicContact CG-CB 4.48Å; R445-L450 PolarHBondContact O-N 2.82Å; R445-L450 VanDerWaalsContact O-N 3.08Å; F448-L450 HydrophobicContact CB-CD1 4.45Å; F448-L450 HydrophobicContact CB-CG 4.16Å; L450-L454 HydrophobicContact CB-CD1 4.3Å; L450-L454 HydrophobicContact CD1-CD1 3.82Å; L450-L454 HydrophobicContact CD1-CD2 3.65Å; L450-L454 HydrophobicContact CD1-CG 3.81Å; L450-V484 HydrophobicContact CD1-CG1 4.5Å; L450-R485 HydrophobicContact CD2-CB 4.49Å; L450-L495 HydrophobicContact CD1-CD2 3.75Å; L450-L495 HydrophobicContact CD2-CD2 3.76Å; L450-L495 HydrophobicContact CG-CD2 4.15Å
451T64.5Low82.6Confident144 Ų14474 Ų7488%0.88337%0.366SS*.  trans-112.2126.4179-51.80000107.8
452G68.1Low83.1Confident37 Ų3772 Ų7238%0.38136%0.357SS..SBendtrans88-174.7-176.800000114.9
453P68.7Low83.4Confident79 Ų7971.1 Ų71.151%0.51336%0.355SS..  trans-63148.9175.6-22.434.9000113.2E455P453-E455 PolarHBondContact O-N 3.39Å; P453-E455 VanDerWaalsContact O-N 3.12Å
454L73.4Confident83.5Confident16 Ų1668.3 Ų68.38%0.08435%0.346CS..  trans-86.377.9176.4-87.676.2000111.6E441 R445 L450 V484 R497 I503E441-L454 HydrophobicContact CG-CD1 3.96Å; E441-L454 HydrophobicContact CG-CD2 4.04Å; E441-L454 HydrophobicContact CG-CG 4.44Å; R445-L454 HydrophobicContact CG-CD1 3.59Å; L450-L454 HydrophobicContact CB-CD1 4.3Å; L450-L454 HydrophobicContact CD1-CD1 3.82Å; L450-L454 HydrophobicContact CD1-CD2 3.65Å; L450-L454 HydrophobicContact CD1-CG 3.81Å; L454-V484 HydrophobicContact CB-CG1 4.13Å; L454-V484 HydrophobicContact CD2-CG1 3.94Å; L454-V484 HydrophobicContact CG-CG1 3.77Å; L454-R497 PolarHBondContact O-NH1 2.86Å; L454-I503 HydrophobicContact CD2-CD1 3.46Å; L454-I503 VanDerWaalsContact CD2-CD1 3.46Å; L454-I503 HydrophobicContact CD2-CG1 4.25Å
455E79.1Confident83.7Confident126 Ų12673.4 Ų73.459%0.58937%0.372SS*.  trans-64.8157.7170.2-72.7-163.1-154.200113.3P453 R521P453-E455 PolarHBondContact O-N 3.39Å; P453-E455 VanDerWaalsContact O-N 3.12Å; E455-R521 IonicContact OE2-NH2 2.7Å
456V87.3Confident83.8Confident36 Ų3671 Ų7122%0.21837%0.367CS..  trans-89.2115.1165.8-174.70000107.2K459 D482 R521V456-K459 HydrophobicContact CG1-CG 4.24Å; V456-D482 HydrophobicContact CB-CB 4.33Å; V456-D482 HydrophobicContact CG1-CB 3.82Å; V456-D482 HydrophobicContact CG2-CB 3.76Å; V456-D482 WeakPolarHBondContact CG2-OD2 3.46Å; V456-R521 PolarHBondContact O-NH1 3.09Å
457I88.3Confident83.6Confident75 Ų7572.3 Ų72.339%0.38537%0.372SS..SBendtrans-70.8-48.1169.9-59.8179.5000108.6I483 V484 V486 R521I457-I483 WeakPolarHBondContact CB-O 3.41Å; I457-I483 PolarHBondContact N-O 3.08Å; I457-V484 WeakPolarHBondContact CD1-O 3.46Å; I457-V486 HydrophobicContact CD1-CG2 4.41Å; I457-R521 PolarHBondContact O-NH1 3.16Å
458Q88.6Confident83.5Confident32 Ų3270.3 Ų70.315%0.1537%0.373CS..EExtended strand (participates in β ladder)trans-157.9148.1-167174.1169.280.500110.3I483 I513 L518Q458-I483 HydrophobicContact CB-CB 4.29Å; Q458-I483 WeakPolarHBondContact O-CB 3.26Å; Q458-I483 PolarHBondContact O-N 3.46Å; Q458-I513 HydrophobicContact CG-CD1 3.92Å; Q458-I513 HydrophobicContact CG-CG2 3.74Å; Q458-L518 HydrophobicContact CB-CD1 4.16Å; Q458-L518 HydrophobicContact CG-CD1 3.92Å
459K91.3Very high83.5Confident102 Ų10271.9 Ų71.944%0.44339%0.393SS..EExtended strand (participates in β ladder)trans-95.9146.8173.8-69.4-177.6178.4177.10110.9V456 D514V456-K459 HydrophobicContact CG1-CG 4.24Å; K459-D514 PolarHBondContact O-N 2.88Å
460G92.3Very high83.5Confident3 Ų372.8 Ų72.83%0.03140%0.397CS..EExtended strand (participates in β ladder)trans-147.5170.1174.300000113L481 E512G460-L481 PolarHBondContact N-O 3.27Å; G460-L481 PolarHBondContact O-N 2.81Å; G460-E512 CarbonylContact C-O 3.44Å; G460-E512 WeakPolarHBondContact CA-O 3.23Å
461K93.3Very high83.9Confident97 Ų9775.2 Ų75.242%0.42241%0.409SS..EExtended strand (participates in β ladder)trans-118.6143.6172.3-73.8177.2-179.2172.90110.1L463 D479 Q480 V511 E512K461-L463 PolarHBondContact O-N 2.91Å; K461-D479 CarbonylContact C-O 3.55Å; K461-D479 VanDerWaalsContact CA-O 3.3Å; K461-D479 WeakPolarHBondContact CA-O 3.44Å; K461-Q480 HydrophobicContact CG-CG 4.1Å; K461-V511 CarbonylContact O-C 3.52Å; K461-V511 WeakPolarHBondContact O-CA 2.97Å; K461-E512 PolarHBondContact N-O 3.35Å; K461-E512 PolarHBondContact O-N 2.95Å
462A93.2Very high85.2Confident2 Ų271.2 Ų71.22%0.01738%0.382CS..EExtended strand (participates in β ladder)trans-71.1121.6173.100000110.2T464 L475 K476 G478 D479 L481A462-T464 VanDerWaalsContact C-N 3.3Å; A462-T464 PolarHBondContact O-N 3.43Å; A462-L475 HydrophobicContact CB-CB 3.78Å; A462-L475 HydrophobicContact CB-CD1 4.11Å; A462-L475 HydrophobicContact CB-CG 4.42Å; A462-K476 VanDerWaalsContact CB-O 3.25Å; A462-K476 WeakPolarHBondContact CB-O 3.44Å; A462-G478 PolarHBondContact O-N 2.95Å; A462-D479 HydrophobicContact CB-CB 4.47Å; A462-D479 PolarHBondContact N-O 3.05Å; A462-L481 HydrophobicContact CB-CD2 4.14Å
463L87.6Confident86.4Confident83 Ų8369.7 Ų69.744%0.43537%0.365SS..SBendtrans-70.3-29.3-178.8-163.780.5000112K461 Q477 L510 E512K461-L463 PolarHBondContact O-N 2.91Å; L463-Q477 WeakPolarHBondContact O-CG 3.42Å; L463-Q477 PolarHBondContact O-NE2 3.49Å; L463-L510 PolarHBondContact N-O 3.14Å; L463-E512 HydrophobicContact CD1-CB 4.2Å
464T87Confident87.4Confident51 Ų5169 Ų6931%0.31337%0.366SS..SBendtrans-152.5153.4-173.958.50000111.5A462 C466A462-T464 VanDerWaalsContact C-N 3.3Å; A462-T464 PolarHBondContact O-N 3.43Å; T464-C466 PolarHBondContact O-N 3.09Å; T464-C466 VanDerWaalsContact O-N 3.1Å; T464-C466 PolarHBondContact O-SG 3.16Å
465D90.9Very high88.3Confident112 Ų11268.7 Ų68.760%0.59936%0.364SS*.  trans-50.6112.3171.6-84.625.3000113.4K476 Q477D465-K476 VanDerWaalsContact OD1-CA 3.29Å; D465-K476 WeakPolarHBondContact OD1-CA 3.38Å; D465-Q477 PolarHBondContact OD1-N 3.49Å
466C83.9Confident88.8Confident22 Ų2269.1 Ų69.115%0.14936%0.364CS..BIsolated β-bridgetrans-106.1106.6175.6-660000109.9T464 G468 A474 L475 L510T464-C466 PolarHBondContact O-N 3.09Å; T464-C466 VanDerWaalsContact O-N 3.1Å; T464-C466 PolarHBondContact O-SG 3.16Å; C466-G468 PolarHBondContact O-N 2.83Å; C466-A474 WeakPolarHBondContact O-CA 3.4Å; C466-L475 HydrophobicContact CB-CB 4.24Å; C466-L475 PolarHBondContact N-O 3.47Å; C466-L475 PolarHBondContact O-N 2.82Å; C466-L510 VanDerWaalsContact SG-CD1 3.52Å
467K81.6Confident89.1Confident211 Ų21174.1 Ų74.192%0.91739%0.385SS*.  trans-70.3101.7170.8-67.7-167.8177.8-175.70109.8
468G83.1Confident89.1Confident35 Ų3572.6 Ų72.636%0.36139%0.388SS..  trans-59.7150.3-177.500000113.6C466 D472 L473C466-G468 PolarHBondContact O-N 2.83Å; G468-D472 CarbonylContact C-O 3.54Å; G468-D472 VanDerWaalsContact CA-O 3.29Å; G468-D472 WeakPolarHBondContact CA-O 3.31Å; G468-L473 WeakPolarHBondContact CA-O 3.39Å
469G85.3Confident89.4Confident46 Ų4673.7 Ų73.747%0.47440%0.395SS..  trans-112.8-169.8179.600000112M471 D472G469-M471 PolarHBondContact O-N 3.45Å; G469-M471 VanDerWaalsContact O-N 3.09Å; G469-D472 PolarHBondContact N-O 3.26Å; G469-D472 PolarHBondContact O-N 3.23Å
470K85.9Confident89.4Confident193 Ų19374.4 Ų74.484%0.83940%0.4SS*.SBendtrans-58.7-25.8178.8-174.8176.2177.4-177.50113.9K447K447-K470 WeakPolarHBondContact CE-O 3.49Å; K447-K470 PolarHBondContact NZ-O 3.23Å
471M89.7Confident89.4Confident77 Ų7774.4 Ų74.438%0.37940%0.399SS..SBendtrans-133.1-2.8178.9-60.8-173.673.200113.3K447 F448 G469 Y505K447-M471 HydrophobicContact CG-CE 4.24Å; F448-M471 HydrophobicContact CD1-CE 4.08Å; F448-M471 HydrophobicContact CE1-CB 4.14Å; F448-M471 HydrophobicContact CE1-CE 3.85Å; F448-M471 HydrophobicContact CZ-CB 4.47Å; G469-M471 PolarHBondContact O-N 3.45Å; G469-M471 VanDerWaalsContact O-N 3.09Å; M471-Y505 HydrophobicContact CB-CD2 4.18Å; M471-Y505 HydrophobicContact CB-CE2 4.38Å; M471-Y505 HydrophobicContact CE-CE2 4.15Å; M471-Y505 WeakPolarHBondContact O-CD2 3.4Å; M471-Y505 PolarHBondContact O-N 3.12Å
472D91.5Very high89.4Confident60 Ų6071.5 Ų71.532%0.32139%0.388SS..BIsolated β-bridgetrans-104.8138.7-177.5-70.30.6000108.8G468 G469 K493 Y505G468-D472 CarbonylContact C-O 3.54Å; G468-D472 VanDerWaalsContact CA-O 3.29Å; G468-D472 WeakPolarHBondContact CA-O 3.31Å; G469-D472 PolarHBondContact N-O 3.26Å; G469-D472 PolarHBondContact O-N 3.23Å; D472-K493 IonicContact OD1-NZ 3.69Å; D472-K493 PolarHBondContact OD1-NZ 3.03Å; D472-K493 IonicContact OD2-NZ 2.65Å; D472-K493 PolarHBondContact OD2-NZ 3.41Å; D472-Y505 CarbonylContact C-O 3.55Å; D472-Y505 VanDerWaalsContact CA-O 3.24Å; D472-Y505 WeakPolarHBondContact CA-O 3.38Å
473L92.3Very high89.4Confident6 Ų671.4 Ų71.43%0.03139%0.387CS..  trans-71.8137.8-172.6-16254.8000111.4G468 L475 A496 T498 T502 Y505G468-L473 WeakPolarHBondContact CA-O 3.39Å; L473-L475 HydrophobicContact CB-CD1 4.43Å; L473-L475 HydrophobicContact CB-CG 4.42Å; L473-L475 HydrophobicContact CD2-CD1 4.16Å; L473-L475 HydrophobicContact CD2-CD2 3.98Å; L473-L475 HydrophobicContact CD2-CG 4.2Å; L473-L475 HydrophobicContact CG-CD1 4.32Å; L473-L475 HydrophobicContact CG-CD2 4.09Å; L473-L475 HydrophobicContact CG-CG 4.01Å; L473-A496 HydrophobicContact CD2-CB 3.77Å; L473-T498 WeakPolarHBondContact CD1-OG1 3.33Å; L473-T502 HydrophobicContact CD1-CG2 3.79Å; L473-T502 WeakPolarHBondContact CD1-O 3.28Å; L473-Y505 PolarHBondContact N-O 2.84Å
474A90.5Very high89.6Confident65 Ų6568.2 Ų68.254%0.53737%0.371SS..  trans-86.2124.8169.700000108.9C466C466-A474 WeakPolarHBondContact O-CA 3.4Å
475L91.3Very high89.8Confident8 Ų869.7 Ų69.74%0.04237%0.371CS..BIsolated β-bridgetrans-144.5147.7-177.8-61.8164.3000109.2A462 C466 L473 D479 L481 T498 V506A462-L475 HydrophobicContact CB-CB 3.78Å; A462-L475 HydrophobicContact CB-CD1 4.11Å; A462-L475 HydrophobicContact CB-CG 4.42Å; C466-L475 HydrophobicContact CB-CB 4.24Å; C466-L475 PolarHBondContact N-O 3.47Å; C466-L475 PolarHBondContact O-N 2.82Å; L473-L475 HydrophobicContact CB-CD1 4.43Å; L473-L475 HydrophobicContact CB-CG 4.42Å; L473-L475 HydrophobicContact CD2-CD1 4.16Å; L473-L475 HydrophobicContact CD2-CD2 3.98Å; L473-L475 HydrophobicContact CD2-CG 4.2Å; L473-L475 HydrophobicContact CG-CD1 4.32Å; L473-L475 HydrophobicContact CG-CD2 4.09Å; L473-L475 HydrophobicContact CG-CG 4.01Å; L475-D479 HydrophobicContact CD2-CB 4.28Å; L475-L481 HydrophobicContact CD1-CD1 4.22Å; L475-L481 HydrophobicContact CD1-CD2 4.05Å; L475-L481 HydrophobicContact CD2-CB 4.42Å; L475-L481 HydrophobicContact CD2-CD2 4.22Å; L475-T498 HydrophobicContact CD2-CG2 4.21Å; L475-V506 HydrophobicContact CD1-CB 4.25Å; L475-V506 HydrophobicContact CD1-CG2 3.5Å; L475-V506 VanDerWaalsContact CD1-CG2 3.5Å
476K91.1Very high89.7Confident136 Ų13667.2 Ų67.259%0.59136%0.36SS*.  trans-102.9158.2167.5-58.3170.9-174.1167.40110A462 D465 G478 D479A462-K476 VanDerWaalsContact CB-O 3.25Å; A462-K476 WeakPolarHBondContact CB-O 3.44Å; D465-K476 VanDerWaalsContact OD1-CA 3.29Å; D465-K476 WeakPolarHBondContact OD1-CA 3.38Å; K476-G478 PolarHBondContact O-N 3.14Å; K476-D479 WeakPolarHBondContact CB-OD2 3.45Å; K476-D479 PolarHBondContact N-OD2 3.39Å; K476-D479 WeakPolarHBondContact O-CB 3.23Å; K476-D479 PolarHBondContact O-N 2.7Å
477Q92.3Very high89.7Confident141 Ų14174 Ų7466%0.65939%0.389SS*.THydrogen-bonded Turntrans-54.5124.6172.6-178.8166.64.900111.3L463 D465L463-Q477 WeakPolarHBondContact O-CG 3.42Å; L463-Q477 PolarHBondContact O-NE2 3.49Å; D465-Q477 PolarHBondContact OD1-N 3.49Å
478G89.4Confident89.9Confident42 Ų4267 Ų6743%0.43338%0.377SS..THydrogen-bonded Turntrans89.9-10.9-177.200000115.9A462 K476A462-G478 PolarHBondContact O-N 2.95Å; K476-G478 PolarHBondContact O-N 3.14Å
479D93.4Very high90.1Very high56 Ų5666.7 Ų66.730%0.29937%0.367SS..  trans-59.1138.3175.5-77.2-8.1000110.6K461 A462 L475 K476 L481K461-D479 CarbonylContact C-O 3.55Å; K461-D479 VanDerWaalsContact CA-O 3.3Å; K461-D479 WeakPolarHBondContact CA-O 3.44Å; A462-D479 HydrophobicContact CB-CB 4.47Å; A462-D479 PolarHBondContact N-O 3.05Å; L475-D479 HydrophobicContact CD2-CB 4.28Å; K476-D479 WeakPolarHBondContact CB-OD2 3.45Å; K476-D479 PolarHBondContact N-OD2 3.39Å; K476-D479 WeakPolarHBondContact O-CB 3.23Å; K476-D479 PolarHBondContact O-N 2.7Å; D479-L481 WeakPolarHBondContact O-CD2 3.39Å
480Q92.2Very high90.3Very high117 Ų11767.5 Ų67.555%0.54736%0.364SS..EExtended strand (participates in β ladder)trans-88.7140176.5-66.2-177.440.200111.4K461K461-Q480 HydrophobicContact CG-CG 4.1Å
481L92.8Very high90.4Very high3 Ų367.8 Ų67.82%0.01637%0.369CS..EExtended strand (participates in β ladder)trans-141.2143.718055.7145.1000112.2G460 A462 L475 D479 I483 A496 R497 V506 V511G460-L481 PolarHBondContact N-O 3.27Å; G460-L481 PolarHBondContact O-N 2.81Å; A462-L481 HydrophobicContact CB-CD2 4.14Å; L475-L481 HydrophobicContact CD1-CD1 4.22Å; L475-L481 HydrophobicContact CD1-CD2 4.05Å; L475-L481 HydrophobicContact CD2-CB 4.42Å; L475-L481 HydrophobicContact CD2-CD2 4.22Å; D479-L481 WeakPolarHBondContact O-CD2 3.39Å; L481-I483 HydrophobicContact CD1-CD1 3.93Å; L481-A496 HydrophobicContact CB-CB 4.43Å; L481-A496 HydrophobicContact CD1-CB 3.54Å; L481-R497 WeakPolarHBondContact CA-O 3.29Å; L481-V506 HydrophobicContact CD1-CB 4.49Å; L481-V506 HydrophobicContact CD1-CG1 3.94Å; L481-V506 HydrophobicContact CD1-CG2 4.43Å; L481-V511 HydrophobicContact CD1-CG1 4.07Å; L481-V511 HydrophobicContact CD1-CG2 3.88Å; L481-V511 HydrophobicContact CD2-CG1 4.44Å; L481-V511 HydrophobicContact CG-CG1 4.46Å
482D93Very high90.4Very high35 Ų3566 Ų6619%0.18737%0.37CS..EExtended strand (participates in β ladder)trans-86.5124.2169.4-66-31.2000109.2V456 V484 A496 R497V456-D482 HydrophobicContact CB-CB 4.33Å; V456-D482 HydrophobicContact CG1-CB 3.82Å; V456-D482 HydrophobicContact CG2-CB 3.76Å; V456-D482 WeakPolarHBondContact CG2-OD2 3.46Å; D482-V484 PolarHBondContact O-N 2.78Å; D482-A496 CarbonylContact O-C 3.56Å; D482-A496 WeakPolarHBondContact O-CA 3.46Å; D482-R497 HydrophobicContact CB-CB 4.27Å; D482-R497 PolarHBondContact N-O 2.77Å; D482-R497 PolarHBondContact O-N 3.24Å; D482-R497 IonicContact OD2-CZ 2.67Å; D482-R497 IonicContact OD2-NE 3.38Å; D482-R497 PolarHBondContact OD2-NE 3.12Å; D482-R497 VanDerWaalsContact OD2-NE 3.16Å; D482-R497 IonicContact OD2-NH2 2.71Å; D482-R497 PolarHBondContact OD2-NH2 2.75Å
483I93.3Very high90.5Very high0 Ų065.3 Ų65.30%036%0.364CS..EExtended strand (participates in β ladder)trans-77.2118.4165.8-55.5-57.2000108.4I457 Q458 L481 V486 W494 A496 V506 V511 I513I457-I483 WeakPolarHBondContact CB-O 3.41Å; I457-I483 PolarHBondContact N-O 3.08Å; Q458-I483 HydrophobicContact CB-CB 4.29Å; Q458-I483 WeakPolarHBondContact O-CB 3.26Å; Q458-I483 PolarHBondContact O-N 3.46Å; L481-I483 HydrophobicContact CD1-CD1 3.93Å; I483-V486 HydrophobicContact CG2-CG1 3.63Å; I483-W494 HydrophobicContact CD1-CB 4.38Å; I483-W494 HydrophobicContact CD1-CE3 3.87Å; I483-W494 HydrophobicContact CG1-CE3 4.27Å; I483-W494 HydrophobicContact CG2-CB 4.25Å; I483-W494 HydrophobicContact CG2-CG 4.48Å; I483-A496 HydrophobicContact CD1-CB 4.07Å; I483-V506 HydrophobicContact CD1-CG1 4.35Å; I483-V511 HydrophobicContact CD1-CG1 4.47Å; I483-I513 HydrophobicContact CG1-CD1 4.2Å
484V91.8Very high90.6Very high16 Ų1667.9 Ų67.910%0.09737%0.374CS..EExtended strand (participates in β ladder)trans-98.7-31.6-177.31760000111.6L450 L454 I457 D482 L495 R497L450-V484 HydrophobicContact CD1-CG1 4.5Å; L454-V484 HydrophobicContact CB-CG1 4.13Å; L454-V484 HydrophobicContact CD2-CG1 3.94Å; L454-V484 HydrophobicContact CG-CG1 3.77Å; I457-V484 WeakPolarHBondContact CD1-O 3.46Å; D482-V484 PolarHBondContact O-N 2.78Å; V484-L495 PolarHBondContact N-O 3.42Å; V484-R497 HydrophobicContact CG2-CB 3.78Å
485R89.8Confident90.7Very high83 Ų8364.8 Ų64.831%0.31335%0.348SS..EExtended strand (participates in β ladder)trans-151.2124.2179.7-173.6-178.6-175.3151.111110.8K449 L450 Q487 N489 L495K449-R485 PolarHBondContact O-NH1 2.95Å; L450-R485 HydrophobicContact CD2-CB 4.49Å; R485-Q487 WeakPolarHBondContact CG-O 3.32Å; R485-Q487 PolarHBondContact NE-O 3.1Å; R485-N489 PolarHBondContact O-ND2 3.31Å; R485-L495 HydrophobicContact CB-CB 3.98Å; R485-L495 PolarHBondContact N-O 3.26Å; R485-L495 VanDerWaalsContact N-O 3.15Å; R485-L495 PolarHBondContact O-N 3.46Å
486V89.2Confident90.8Very high60 Ų6064.4 Ų64.436%0.36435%0.346SS..  trans-93.1-38.8174.7-66.30000113.3I457 I483 N489 W494I457-V486 HydrophobicContact CD1-CG2 4.41Å; I483-V486 HydrophobicContact CG2-CG1 3.63Å; V486-N489 PolarHBondContact O-ND2 2.81Å; V486-W494 HydrophobicContact CB-CG 4.43Å; V486-W494 HydrophobicContact CG1-CD2 4.14Å; V486-W494 HydrophobicContact CG1-CG 4.09Å
487Q85.2Confident90.9Very high163 Ų16359.8 Ų59.876%0.76233%0.325SS*.SBendtrans-102.4146-170.9-169.5-177.79.500113.2R485 N489R485-Q487 WeakPolarHBondContact CG-O 3.32Å; R485-Q487 PolarHBondContact NE-O 3.1Å; Q487-N489 VanDerWaalsContact C-N 3.34Å
488G83.9Confident90.9Very high65 Ų6553.5 Ų53.567%0.6730%0.296SS*.SBendtrans78.715.7178.500000114.6
489N88.8Confident90.8Very high29 Ų2955.6 Ų55.616%0.15530%0.301CS..SBendtrans-91.2173170.2-57.2-55.1000110.3R485 V486 Q487 K493 Y505R485-N489 PolarHBondContact O-ND2 3.31Å; V486-N489 PolarHBondContact O-ND2 2.81Å; Q487-N489 VanDerWaalsContact C-N 3.34Å; N489-K493 WeakPolarHBondContact CB-O 3.42Å; N489-Y505 HydrophobicContact CB-CD1 4.42Å; N489-Y505 HydrophobicContact CB-CE1 4.05Å
490P89.2Confident90.4Very high62 Ų6258.1 Ų58.140%0.40331%0.314SS..SBendtrans-57.2149.7164.8-2234.2000111.9K493 Y505P490-K493 HydrophobicContact CB-CD 4.25Å; P490-K493 WeakPolarHBondContact O-CB 3.31Å; P490-K493 PolarHBondContact O-N 3.11Å; P490-K493 VanDerWaalsContact O-N 3.12Å; P490-Y505 HydrophobicContact CG-CE1 4.42Å; P490-Y505 HydrophobicContact CG-CE2 4.14Å
491E88Confident89.9Confident200 Ų20052.6 Ų52.694%0.93529%0.289SS*.THydrogen-bonded Turntrans-55.8141.3-179-164.8-173160.600112.4K493E491-K493 PolarHBondContact O-N 3.09Å; E491-K493 VanDerWaalsContact O-N 3.15Å
492G89.6Confident89.7Confident40 Ų4055.5 Ų55.541%0.41231%0.306SS..THydrogen-bonded Turntrans6512.8-177.800000114.6K507 T508G492-K507 CarbonylContact O-C 3.57Å; G492-K507 VanDerWaalsContact O-CA 3.32Å; G492-K507 WeakPolarHBondContact O-CA 3.18Å; G492-T508 PolarHBondContact O-N 3.24Å; G492-T508 PolarHBondContact O-OG1 3.31Å
493K93.3Very high89.6Confident45 Ų4554.7 Ų54.720%0.19630%0.302CS..EExtended strand (participates in β ladder)trans-127138.7177.1-73.1175.2161.8-170.30112.5D472 N489 P490 E491 Y505 V506 K507D472-K493 IonicContact OD1-NZ 3.69Å; D472-K493 PolarHBondContact OD1-NZ 3.03Å; D472-K493 IonicContact OD2-NZ 2.65Å; D472-K493 PolarHBondContact OD2-NZ 3.41Å; N489-K493 WeakPolarHBondContact CB-O 3.42Å; P490-K493 HydrophobicContact CB-CD 4.25Å; P490-K493 WeakPolarHBondContact O-CB 3.31Å; P490-K493 PolarHBondContact O-N 3.11Å; P490-K493 VanDerWaalsContact O-N 3.12Å; E491-K493 PolarHBondContact O-N 3.09Å; E491-K493 VanDerWaalsContact O-N 3.15Å; K493-Y505 HydrophobicContact CD-CG 4.45Å; K493-V506 CarbonylContact C-O 3.57Å; K493-V506 VanDerWaalsContact CA-O 3.22Å; K493-V506 WeakPolarHBondContact CA-O 3.46Å; K493-K507 HydrophobicContact CG-CG 4.44Å
494W94.1Very high89.6Confident60 Ų6054.8 Ų54.823%0.22730%0.303CS..EExtended strand (participates in β ladder)trans-106.2158.2164.2-65.6-28.4000109.9I483 V486 Y505 V506 T508 I513I483-W494 HydrophobicContact CD1-CB 4.38Å; I483-W494 HydrophobicContact CD1-CE3 3.87Å; I483-W494 HydrophobicContact CG1-CE3 4.27Å; I483-W494 HydrophobicContact CG2-CB 4.25Å; I483-W494 HydrophobicContact CG2-CG 4.48Å; V486-W494 HydrophobicContact CB-CG 4.43Å; V486-W494 HydrophobicContact CG1-CD2 4.14Å; V486-W494 HydrophobicContact CG1-CG 4.09Å; W494-Y505 CarbonylContact O-C 3.58Å; W494-Y505 VanDerWaalsContact O-CA 3.28Å; W494-Y505 WeakPolarHBondContact O-CA 3.42Å; W494-V506 HydrophobicContact CB-CG1 4.46Å; W494-V506 PolarHBondContact N-O 3.42Å; W494-V506 PolarHBondContact O-N 2.87Å; W494-T508 HydrophobicContact CD2-CG2 3.61Å; W494-T508 VanDerWaalsContact CE2-CG2 3.46Å; W494-T508 HydrophobicContact CE3-CG2 4.12Å; W494-T508 HydrophobicContact CG-CG2 3.87Å; W494-T508 HydrophobicContact CH2-CG2 4.4Å; W494-T508 HydrophobicContact CZ2-CG2 3.92Å; W494-T508 HydrophobicContact CZ3-CG2 4.47Å; W494-I513 HydrophobicContact CE3-CD1 4.5Å; W494-I513 HydrophobicContact CH2-CD1 4.32Å; W494-I513 HydrophobicContact CH2-CG1 4.2Å; W494-I513 HydrophobicContact CZ3-CD1 3.67Å; W494-I513 HydrophobicContact CZ3-CG1 3.99Å
495L93.3Very high89.7Confident0 Ų055.6 Ų55.60%031%0.305CS..EExtended strand (participates in β ladder)trans-91.2125.3168-164.376000109.2F448 L450 V484 R485 I503 Y505F448-L495 HydrophobicContact CB-CD1 4.23Å; F448-L495 HydrophobicContact CB-CD2 3.75Å; F448-L495 HydrophobicContact CD1-CD1 3.42Å; F448-L495 VanDerWaalsContact CD1-CD1 3.42Å; F448-L495 HydrophobicContact CD1-CD2 4.48Å; F448-L495 HydrophobicContact CD2-CD1 3.98Å; F448-L495 HydrophobicContact CD2-CD2 4.22Å; F448-L495 HydrophobicContact CE1-CD1 3.61Å; F448-L495 HydrophobicContact CE2-CD1 4.17Å; F448-L495 HydrophobicContact CG-CD1 3.61Å; F448-L495 HydrophobicContact CG-CD2 3.92Å; F448-L495 HydrophobicContact CG-CG 4.46Å; F448-L495 HydrophobicContact CZ-CD1 4Å; L450-L495 HydrophobicContact CD1-CD2 3.75Å; L450-L495 HydrophobicContact CD2-CD2 3.76Å; L450-L495 HydrophobicContact CG-CD2 4.15Å; V484-L495 PolarHBondContact N-O 3.42Å; R485-L495 HydrophobicContact CB-CB 3.98Å; R485-L495 PolarHBondContact N-O 3.26Å; R485-L495 VanDerWaalsContact N-O 3.15Å; R485-L495 PolarHBondContact O-N 3.46Å; L495-I503 HydrophobicContact CD1-CG2 4.23Å; L495-I503 HydrophobicContact CD2-CG2 3.9Å; L495-I503 HydrophobicContact CG-CG2 3.96Å; L495-Y505 HydrophobicContact CB-CD1 4.28Å; L495-Y505 HydrophobicContact CB-CE1 4.43Å; L495-Y505 HydrophobicContact CD1-CD1 3.58Å; L495-Y505 HydrophobicContact CD1-CE1 3.71Å; L495-Y505 HydrophobicContact CD1-CG 4.18Å
496A93.6Very high89.9Confident0 Ų051.9 Ų51.90%029%0.291CS..EExtended strand (participates in β ladder)trans-126.5162.2-177.200000112.1L473 L481 D482 I483 I503 G504 V506L473-A496 HydrophobicContact CD2-CB 3.77Å; L481-A496 HydrophobicContact CB-CB 4.43Å; L481-A496 HydrophobicContact CD1-CB 3.54Å; D482-A496 CarbonylContact O-C 3.56Å; D482-A496 WeakPolarHBondContact O-CA 3.46Å; I483-A496 HydrophobicContact CD1-CB 4.07Å; A496-I503 VanDerWaalsContact O-CA 3.31Å; A496-I503 WeakPolarHBondContact O-CA 3.45Å; A496-G504 PolarHBondContact N-O 2.85Å; A496-G504 PolarHBondContact O-N 3.22Å; A496-V506 HydrophobicContact CB-CB 4.32Å; A496-V506 HydrophobicContact CB-CG1 3.64Å
497R92.8Very high90.1Very high39 Ų3954.3 Ų54.315%0.14730%0.297CS..EExtended strand (participates in β ladder)trans-126.3120.5175.7177.6178.369.6-152.80.2109L454 L481 D482 V484 T502 I503L454-R497 PolarHBondContact O-NH1 2.86Å; L481-R497 WeakPolarHBondContact CA-O 3.29Å; D482-R497 HydrophobicContact CB-CB 4.27Å; D482-R497 PolarHBondContact N-O 2.77Å; D482-R497 PolarHBondContact O-N 3.24Å; D482-R497 IonicContact OD2-CZ 2.67Å; D482-R497 IonicContact OD2-NE 3.38Å; D482-R497 PolarHBondContact OD2-NE 3.12Å; D482-R497 VanDerWaalsContact OD2-NE 3.16Å; D482-R497 IonicContact OD2-NH2 2.71Å; D482-R497 PolarHBondContact OD2-NH2 2.75Å; V484-R497 HydrophobicContact CG2-CB 3.78Å; R497-T502 CarbonylContact C-O 3.57Å; R497-T502 VanDerWaalsContact CA-O 3.31Å; R497-T502 WeakPolarHBondContact CA-O 3.42Å; R497-I503 HydrophobicContact CB-CG1 3.85Å; R497-I503 HydrophobicContact CG-CG1 3.81Å
498T92.2Very high90.4Very high9 Ų948.4 Ų48.46%0.05527%0.272CS..EExtended strand (participates in β ladder)trans-69158.8169.8-40.10000109.6L473 L475 D500 G501 T502L473-T498 WeakPolarHBondContact CD1-OG1 3.33Å; L475-T498 HydrophobicContact CD2-CG2 4.21Å; T498-D500 PolarHBondContact O-N 3.31Å; T498-G501 PolarHBondContact O-N 3.1Å; T498-T502 PolarHBondContact N-O 2.74Å
499T88.3Confident90.8Very high86 Ų8650.2 Ų50.253%0.52827%0.27SS..THydrogen-bonded Turntrans-38.9-42.2168.344.60000113.3R437 G501R437-T499 PolarHBondContact NH2-O 3.12Å; T499-G501 PolarHBondContact O-N 2.91Å
500D83.7Confident90.9Very high108 Ų10850.8 Ų50.858%0.57827%0.273SS*.THydrogen-bonded Turntrans-68.41.2-176.6-49.32.2000114.4T498 T502T498-D500 PolarHBondContact O-N 3.31Å; D500-T502 PolarHBondContact O-N 2.83Å
501G82.6Confident91Very high2 Ų248.5 Ų48.52%0.02126%0.258CS..SBendtrans73.86.2-176.300000114.6T498 T499T498-G501 PolarHBondContact O-N 3.1Å; T499-G501 PolarHBondContact O-N 2.91Å
502T88.7Confident91.1Very high63 Ų6344.5 Ų44.539%0.38724%0.239SC..  trans-74.2128172.6-57.40000109.4L473 R497 T498 D500L473-T502 HydrophobicContact CD1-CG2 3.79Å; L473-T502 WeakPolarHBondContact CD1-O 3.28Å; R497-T502 CarbonylContact C-O 3.57Å; R497-T502 VanDerWaalsContact CA-O 3.31Å; R497-T502 WeakPolarHBondContact CA-O 3.42Å; T498-T502 PolarHBondContact N-O 2.74Å; D500-T502 PolarHBondContact O-N 2.83Å
503I91.5Very high91.2Very high18 Ų1843.5 Ų43.59%0.09222%0.224CC..EExtended strand (participates in β ladder)trans-114.8133.2-177.2-62.1148.4000109.7E441 A444 F448 L454 L495 A496 R497E441-I503 HydrophobicContact CG-CD1 4.45Å; A444-I503 HydrophobicContact CB-CB 3.74Å; A444-I503 HydrophobicContact CB-CD1 3.42Å; A444-I503 VanDerWaalsContact CB-CD1 3.42Å; A444-I503 HydrophobicContact CB-CG1 4.19Å; A444-I503 HydrophobicContact CB-CG2 3.88Å; F448-I503 HydrophobicContact CD2-CG2 4.08Å; F448-I503 HydrophobicContact CE2-CG2 4.07Å; F448-I503 WeakPolarHBondContact CE2-O 3.36Å; L454-I503 HydrophobicContact CD2-CD1 3.46Å; L454-I503 VanDerWaalsContact CD2-CD1 3.46Å; L454-I503 HydrophobicContact CD2-CG1 4.25Å; L495-I503 HydrophobicContact CD1-CG2 4.23Å; L495-I503 HydrophobicContact CD2-CG2 3.9Å; L495-I503 HydrophobicContact CG-CG2 3.96Å; A496-I503 VanDerWaalsContact O-CA 3.31Å; A496-I503 WeakPolarHBondContact O-CA 3.45Å; R497-I503 HydrophobicContact CB-CG1 3.85Å; R497-I503 HydrophobicContact CG-CG1 3.81Å
504G93.1Very high90.9Very high2 Ų244.2 Ų44.22%0.02123%0.23CC..EExtended strand (participates in β ladder)trans-170.9167.8-176.900000113.2A496A496-G504 PolarHBondContact N-O 2.85Å; A496-G504 PolarHBondContact O-N 3.22Å
505Y93.5Very high90.2Very high34 Ų3447.8 Ų47.813%0.13325%0.247CC..EExtended strand (participates in β ladder)trans-75.2134.3177.3-63.2-60.1000111.6F448 M471 D472 L473 N489 P490 K493 W494 L495F448-Y505 HydrophobicContact CD1-CD2 4.46Å; F448-Y505 HydrophobicContact CD1-CE1 4.14Å; F448-Y505 AromaticContact CD1-CE2 3.85Å; F448-Y505 HydrophobicContact CD1-CE2 3.85Å; F448-Y505 AromaticContact CD1-CZ 3.66Å; F448-Y505 AromaticContact CE1-CD2 3.95Å; F448-Y505 HydrophobicContact CE1-CD2 3.95Å; F448-Y505 HydrophobicContact CE1-CE1 4.48Å; F448-Y505 AromaticContact CE1-CE2 3.71Å; F448-Y505 HydrophobicContact CE1-CE2 3.71Å; F448-Y505 HydrophobicContact CE1-CG 4.45Å; F448-Y505 AromaticContact CE1-CZ 3.99Å; M471-Y505 HydrophobicContact CB-CD2 4.18Å; M471-Y505 HydrophobicContact CB-CE2 4.38Å; M471-Y505 HydrophobicContact CE-CE2 4.15Å; M471-Y505 WeakPolarHBondContact O-CD2 3.4Å; M471-Y505 PolarHBondContact O-N 3.12Å; D472-Y505 CarbonylContact C-O 3.55Å; D472-Y505 VanDerWaalsContact CA-O 3.24Å; D472-Y505 WeakPolarHBondContact CA-O 3.38Å; L473-Y505 PolarHBondContact N-O 2.84Å; N489-Y505 HydrophobicContact CB-CD1 4.42Å; N489-Y505 HydrophobicContact CB-CE1 4.05Å; P490-Y505 HydrophobicContact CG-CE1 4.42Å; P490-Y505 HydrophobicContact CG-CE2 4.14Å; K493-Y505 HydrophobicContact CD-CG 4.45Å; W494-Y505 CarbonylContact O-C 3.58Å; W494-Y505 VanDerWaalsContact O-CA 3.28Å; W494-Y505 WeakPolarHBondContact O-CA 3.42Å; L495-Y505 HydrophobicContact CB-CD1 4.28Å; L495-Y505 HydrophobicContact CB-CE1 4.43Å; L495-Y505 HydrophobicContact CD1-CD1 3.58Å; L495-Y505 HydrophobicContact CD1-CE1 3.71Å; L495-Y505 HydrophobicContact CD1-CG 4.18Å
506V93.6Very high89.2Confident4 Ų452.9 Ų52.92%0.02428%0.275CS..EExtended strand (participates in β ladder)trans-118.7144.8171.567.70000109.3L475 L481 I483 K493 W494 A496 V511L475-V506 HydrophobicContact CD1-CB 4.25Å; L475-V506 HydrophobicContact CD1-CG2 3.5Å; L475-V506 VanDerWaalsContact CD1-CG2 3.5Å; L481-V506 HydrophobicContact CD1-CB 4.49Å; L481-V506 HydrophobicContact CD1-CG1 3.94Å; L481-V506 HydrophobicContact CD1-CG2 4.43Å; I483-V506 HydrophobicContact CD1-CG1 4.35Å; K493-V506 CarbonylContact C-O 3.57Å; K493-V506 VanDerWaalsContact CA-O 3.22Å; K493-V506 WeakPolarHBondContact CA-O 3.46Å; W494-V506 HydrophobicContact CB-CG1 4.46Å; W494-V506 PolarHBondContact N-O 3.42Å; W494-V506 PolarHBondContact O-N 2.87Å; A496-V506 HydrophobicContact CB-CB 4.32Å; A496-V506 HydrophobicContact CB-CG1 3.64Å; V506-V511 HydrophobicContact CB-CG2 4.12Å; V506-V511 HydrophobicContact CG1-CG2 3.61Å; V506-V511 HydrophobicContact CG2-CG2 3.37Å
507K92.6Very high87.7Confident111 Ų11154.9 Ų54.948%0.48329%0.288SS..EExtended strand (participates in β ladder)trans-72.1133.5175.6-70.9-176.7-178.5178.20110G492 K493 T509 L510G492-K507 CarbonylContact O-C 3.57Å; G492-K507 VanDerWaalsContact O-CA 3.32Å; G492-K507 WeakPolarHBondContact O-CA 3.18Å; K493-K507 HydrophobicContact CG-CG 4.44Å; K507-T509 VanDerWaalsContact C-N 3.25Å; K507-T509 PolarHBondContact O-N 2.83Å; K507-L510 HydrophobicContact CB-CB 4.28Å; K507-L510 HydrophobicContact CB-CD1 4.14Å; K507-L510 HydrophobicContact CB-CG 3.95Å; K507-L510 HydrophobicContact CD-CD1 3.84Å; K507-L510 HydrophobicContact CD-CG 4.26Å; K507-L510 HydrophobicContact CG-CD1 4.45Å; K507-L510 PolarHBondContact O-N 3.22Å
508T92.6Very high86.2Confident40 Ų4056.4 Ų56.425%0.24530%0.299CS..G310 helixtrans-55.7-41.9177.655.40000111.9G492 W494 L510 V511G492-T508 PolarHBondContact O-N 3.24Å; G492-T508 PolarHBondContact O-OG1 3.31Å; W494-T508 HydrophobicContact CD2-CG2 3.61Å; W494-T508 VanDerWaalsContact CE2-CG2 3.46Å; W494-T508 HydrophobicContact CE3-CG2 4.12Å; W494-T508 HydrophobicContact CG-CG2 3.87Å; W494-T508 HydrophobicContact CH2-CG2 4.4Å; W494-T508 HydrophobicContact CZ2-CG2 3.92Å; W494-T508 HydrophobicContact CZ3-CG2 4.47Å; T508-L510 PolarHBondContact O-N 2.66Å; T508-L510 VanDerWaalsContact O-N 3.12Å; T508-V511 PolarHBondContact O-N 2.83Å
509T91.8Very high84.5Confident103 Ų10364.1 Ų64.163%0.63233%0.332SS*.G310 helixtrans-66.2-12179.367.30000114.6K507K507-T509 VanDerWaalsContact C-N 3.25Å; K507-T509 PolarHBondContact O-N 2.83Å
510L90.3Very high82.9Confident41 Ų4166.2 Ų66.222%0.21534%0.34CS..G310 helixtrans-114.312.9-177.9-51.4-175.7000112.1L463 C466 K507 T508L463-L510 PolarHBondContact N-O 3.14Å; C466-L510 VanDerWaalsContact SG-CD1 3.52Å; K507-L510 HydrophobicContact CB-CB 4.28Å; K507-L510 HydrophobicContact CB-CD1 4.14Å; K507-L510 HydrophobicContact CB-CG 3.95Å; K507-L510 HydrophobicContact CD-CD1 3.84Å; K507-L510 HydrophobicContact CD-CG 4.26Å; K507-L510 HydrophobicContact CG-CD1 4.45Å; K507-L510 PolarHBondContact O-N 3.22Å; T508-L510 PolarHBondContact O-N 2.66Å; T508-L510 VanDerWaalsContact O-N 3.12Å
511V91.6Very high81.2Confident14 Ų1466.2 Ų66.29%0.08533%0.332CS..EExtended strand (participates in β ladder)trans-121.2121.7171.4-173.50000109.3K461 L481 I483 V506 T508 I513K461-V511 CarbonylContact O-C 3.52Å; K461-V511 WeakPolarHBondContact O-CA 2.97Å; L481-V511 HydrophobicContact CD1-CG1 4.07Å; L481-V511 HydrophobicContact CD1-CG2 3.88Å; L481-V511 HydrophobicContact CD2-CG1 4.44Å; L481-V511 HydrophobicContact CG-CG1 4.46Å; I483-V511 HydrophobicContact CD1-CG1 4.47Å; V506-V511 HydrophobicContact CB-CG2 4.12Å; V506-V511 HydrophobicContact CG1-CG2 3.61Å; V506-V511 HydrophobicContact CG2-CG2 3.37Å; T508-V511 PolarHBondContact O-N 2.83Å; V511-I513 HydrophobicContact CG1-CD1 4.04Å
512E90.5Very high79.2Confident116 Ų11671 Ų7154%0.54236%0.363SS..EExtended strand (participates in β ladder)trans-82.2127.6162.6-176.6174.2-141.400108.6G460 K461 L463G460-E512 CarbonylContact C-O 3.44Å; G460-E512 WeakPolarHBondContact CA-O 3.23Å; K461-E512 PolarHBondContact N-O 3.35Å; K461-E512 PolarHBondContact O-N 2.95Å; L463-E512 HydrophobicContact CD1-CB 4.2Å
513I91.6Very high76.9Confident18 Ų1872 Ų729%0.09238%0.377CS..EExtended strand (participates in β ladder)trans-83.7132.9177.5-69.7-50.3000110.1Q458 I483 W494 V511 F515Q458-I513 HydrophobicContact CG-CD1 3.92Å; Q458-I513 HydrophobicContact CG-CG2 3.74Å; I483-I513 HydrophobicContact CG1-CD1 4.2Å; W494-I513 HydrophobicContact CE3-CD1 4.5Å; W494-I513 HydrophobicContact CH2-CD1 4.32Å; W494-I513 HydrophobicContact CH2-CG1 4.2Å; W494-I513 HydrophobicContact CZ3-CD1 3.67Å; W494-I513 HydrophobicContact CZ3-CG1 3.99Å; V511-I513 HydrophobicContact CG1-CD1 4.04Å; I513-F515 HydrophobicContact CB-CD2 4.37Å; I513-F515 HydrophobicContact CB-CE1 4.43Å; I513-F515 HydrophobicContact CB-CE2 3.92Å; I513-F515 HydrophobicContact CB-CZ 3.96Å; I513-F515 HydrophobicContact CG2-CD1 4.06Å; I513-F515 HydrophobicContact CG2-CD2 4.22Å; I513-F515 HydrophobicContact CG2-CE1 3.97Å; I513-F515 HydrophobicContact CG2-CE2 4.13Å; I513-F515 HydrophobicContact CG2-CG 4.19Å; I513-F515 HydrophobicContact CG2-CZ 4Å; I513-F515 WeakPolarHBondContact O-CD2 3.23Å; I513-F515 PolarHBondContact O-N 2.65Å
514D86.2Confident74.7Confident61 Ų6179.7 Ų79.733%0.32641%0.413SS..  trans-79.288.2169.5179.97.8000109.8K459 N516 S517 L518K459-D514 PolarHBondContact O-N 2.88Å; D514-N516 PolarHBondContact O-N 2.82Å; D514-N516 WeakPolarHBondContact OD1-CA 3.48Å; D514-N516 WeakPolarHBondContact OD1-CB 3.49Å; D514-N516 PolarHBondContact OD1-N 3.39Å; D514-S517 PolarHBondContact O-N 2.82Å; D514-S517 PolarHBondContact OD1-N 2.98Å; D514-S517 WeakPolarHBondContact OD2-CB 3.48Å; D514-S517 PolarHBondContact OD2-N 3.29Å; D514-S517 PolarHBondContact OD2-OG 3.1Å; D514-L518 PolarHBondContact O-N 3.26Å
515F79.4Confident72.2Confident135 Ų13586.5 Ų86.559%0.59245%0.448SS*.Hα-helixtrans-63.5-18.2174.4-64.2-80.8000113.2I513 L518 K519I513-F515 HydrophobicContact CB-CD2 4.37Å; I513-F515 HydrophobicContact CB-CE1 4.43Å; I513-F515 HydrophobicContact CB-CE2 3.92Å; I513-F515 HydrophobicContact CB-CZ 3.96Å; I513-F515 HydrophobicContact CG2-CD1 4.06Å; I513-F515 HydrophobicContact CG2-CD2 4.22Å; I513-F515 HydrophobicContact CG2-CE1 3.97Å; I513-F515 HydrophobicContact CG2-CE2 4.13Å; I513-F515 HydrophobicContact CG2-CG 4.19Å; I513-F515 HydrophobicContact CG2-CZ 4Å; I513-F515 WeakPolarHBondContact O-CD2 3.23Å; I513-F515 PolarHBondContact O-N 2.65Å; F515-L518 HydrophobicContact CD1-CD2 4.45Å; F515-L518 WeakPolarHBondContact O-CB 3.48Å; F515-L518 PolarHBondContact O-N 2.78Å; F515-K519 PolarHBondContact O-N 3.38Å
516N72.3Confident69.8Low107 Ų10787.9 Ų87.957%0.57247%0.473SS*.Hα-helixtrans-77.8-42.7177.8-137.336.1000110.5D514 L518 K519 N520D514-N516 PolarHBondContact O-N 2.82Å; D514-N516 WeakPolarHBondContact OD1-CA 3.48Å; D514-N516 WeakPolarHBondContact OD1-CB 3.49Å; D514-N516 PolarHBondContact OD1-N 3.39Å; N516-L518 PolarHBondContact O-N 3.01Å; N516-K519 PolarHBondContact O-N 3.26Å; N516-N520 PolarHBondContact O-N 2.81Å; N516-N520 VanDerWaalsContact O-N 3.09Å
517S63.7Low67.1Low41 Ų4197.9 Ų97.929%0.28751%0.512SS..Hα-helixtrans-58.7-24.2165-75.60000113D514 R521D514-S517 PolarHBondContact O-N 2.82Å; D514-S517 PolarHBondContact OD1-N 2.98Å; D514-S517 WeakPolarHBondContact OD2-CB 3.48Å; D514-S517 PolarHBondContact OD2-N 3.29Å; D514-S517 PolarHBondContact OD2-OG 3.1Å; S517-R521 PolarHBondContact O-N 3.39Å
518L60.2Low64.1Low71 Ų71101 Ų10137%0.37253%0.528SS..Hα-helixtrans-79.4-41.1177-146.972000112.7Q458 D514 F515 N516 N520 R521Q458-L518 HydrophobicContact CB-CD1 4.16Å; Q458-L518 HydrophobicContact CG-CD1 3.92Å; D514-L518 PolarHBondContact O-N 3.26Å; F515-L518 HydrophobicContact CD1-CD2 4.45Å; F515-L518 WeakPolarHBondContact O-CB 3.48Å; F515-L518 PolarHBondContact O-N 2.78Å; N516-L518 PolarHBondContact O-N 3.01Å; L518-N520 VanDerWaalsContact C-N 3.29Å; L518-N520 PolarHBondContact O-N 3.01Å; L518-R521 PolarHBondContact O-N 3.32Å
519K57.7Low62Low172 Ų172103 Ų10375%0.74854%0.542SS*.Hα-helixtrans-66.5-30.4174-73.1-178176.8-173.60113.1F515 N516F515-K519 PolarHBondContact O-N 3.38Å; N516-K519 PolarHBondContact O-N 3.26Å
520N53.2Low60.2Low130 Ų130106.8 Ų106.870%0.69555%0.552SS**THydrogen-bonded Turntrans-91.74.4-178.6-65.17.3000113.4N516 L518N516-N520 PolarHBondContact O-N 2.81Å; N516-N520 VanDerWaalsContact O-N 3.09Å; L518-N520 VanDerWaalsContact C-N 3.29Å; L518-N520 PolarHBondContact O-N 3.01Å
521R48Very low58Low107 Ų107112 Ų11240%0.40458%0.579SS.*SBendtrans-93.8127.6165.3-166.2177.8-171.2-177.23107.4E455 V456 I457 S517 L518 A523E455-R521 IonicContact OE2-NH2 2.7Å; V456-R521 PolarHBondContact O-NH1 3.09Å; I457-R521 PolarHBondContact O-NH1 3.16Å; S517-R521 PolarHBondContact O-N 3.39Å; L518-R521 PolarHBondContact O-N 3.32Å; R521-A523 PolarHBondContact O-N 3.18Å
522P41.2Very low55.4Low104 Ų104119.9 Ų119.968%0.67561%0.608SS**  trans-56.9135.4172.725.3-33.8000108.8Q524P522-Q524 PolarHBondContact O-N 2.79Å; P522-Q524 VanDerWaalsContact O-N 3.07Å
523A40.8Very low53.2Low83 Ų83122.4 Ų122.469%0.68663%0.625SS**  trans-61.7115.9-177.700000109.1R521 L525R521-A523 PolarHBondContact O-N 3.18Å; A523-L525 PolarHBondContact O-N 3.11Å
524Q45.3Very low50.9Low179 Ų179127.4 Ų127.484%0.83665%0.652SS**  trans-77.464.3166.9-76.6-71.5-73.500109.2P522P522-Q524 PolarHBondContact O-N 2.79Å; P522-Q524 VanDerWaalsContact O-N 3.07Å
525L39.4Very low48.7Very low145 Ų145131.1 Ų131.176%0.75967%0.671SS**  trans-96.2113.9162.6-138.3168.4000104.6A523A523-L525 PolarHBondContact O-N 3.11Å
526G43.2Very low46.8Very low64 Ų64132 Ų13266%0.6668%0.681SS**SBendtrans-63.1156.6168.400000109.6
527Y38.3Very low45.5Very low214 Ų214132.8 Ų132.884%0.83969%0.69SS**  trans76.774.4-163.4-124.8-91.4000113P529Y527-P529 WeakPolarHBondContact O-CD 3.35Å
528E30Very low44.3Very low176 Ų176136.4 Ų136.482%0.82271%0.71SS**  trans-70.1118.4142.1172.7170.7-126.600106.8
529P47.5Very low43.4Very low82 Ų82138.4 Ų138.453%0.53273%0.73SS.*  trans-69137.5157.3-5.723.7000107.3Y527 I531Y527-P529 WeakPolarHBondContact O-CD 3.35Å; P529-I531 VanDerWaalsContact C-N 3.33Å; P529-I531 PolarHBondContact O-N 3.37Å
530E53.4Low42.7Very low182 Ų182133.4 Ų133.485%0.8573%0.727SS**  trans-64.593.8173.2-68.4169.1135.700109.2Y532E530-Y532 PolarHBondContact O-N 2.98Å; E530-Y532 VanDerWaalsContact O-N 3.1Å
531I44.3Very low42Very low151 Ų151134.5 Ų134.577%0.77473%0.733SS**  trans-75.798.7171.2-61.3177.2000106.1P529 D533P529-I531 VanDerWaalsContact C-N 3.33Å; P529-I531 PolarHBondContact O-N 3.37Å; I531-D533 PolarHBondContact O-N 2.83Å
532Y37Very low41.5Very low179 Ų179136.8 Ų136.870%0.70275%0.754SS**  trans-34129.3177.7-86.8-104.9000113.6E530 D534E530-Y532 PolarHBondContact O-N 2.98Å; E530-Y532 VanDerWaalsContact O-N 3.1Å; Y532-D534 HydrophobicContact CD1-CB 4.46Å; Y532-D534 WeakPolarHBondContact CD1-OD1 3.36Å; Y532-D534 PolarHBondContact O-N 3.17Å
533D43.9Very low41.3Very low170 Ų170135.5 Ų135.591%0.90976%0.759SS**SBendtrans-79.637177.7-158.126.2000111.2I531I531-D533 PolarHBondContact O-N 2.83Å
534D43.7Very low41.4Very low122 Ų122135.4 Ų135.465%0.65277%0.766SS**  trans-113.17.5-164.7-69.847.1000112.4Y532Y532-D534 HydrophobicContact CD1-CB 4.46Å; Y532-D534 WeakPolarHBondContact CD1-OD1 3.36Å; Y532-D534 PolarHBondContact O-N 3.17Å
535I40.3Very low41.2Very low140 Ų140134 Ų13472%0.71877%0.77SS**  trans-11180.7-178.1-49-177.1000110.1V537I535-V537 PolarHBondContact O-N 2.86Å
536D39.7Very low41.5Very low152 Ų152137.5 Ų137.581%0.81378%0.779SS**  trans-55.2102.4165.9-101.1-42.2000110.4V538D536-V538 HydrophobicContact CB-CG2 4.46Å; D536-V538 PolarHBondContact O-N 3.22Å
537V44.6Very low41Very low124 Ų124137.7 Ų137.775%0.75278%0.781SS**  trans-77.771172.8-175.40000109.3I535 S539I535-V537 PolarHBondContact O-N 2.86Å; V537-S539 PolarHBondContact O-N 3.33Å
538V38.9Very low41.3Very low117 Ų117133.9 Ų133.971%0.70978%0.782SS**  trans-62.5103.9168.51680000108.8D536 G540D536-V538 HydrophobicContact CB-CG2 4.46Å; D536-V538 PolarHBondContact O-N 3.22Å; V538-G540 PolarHBondContact O-N 3.15Å
539S41.2Very low41.6Very low114 Ų114129.9 Ų129.980%0.79778%0.779SS**  trans-69.1110.8160.2-64.40000107.5V537V537-S539 PolarHBondContact O-N 3.33Å
540G42.8Very low41.4Very low67 Ų67132.6 Ų132.669%0.69179%0.794SS**  trans-81.3160-163.800000115.9V538V538-G540 PolarHBondContact O-N 3.15Å
541D37.9Very low40.9Very low152 Ų152129.9 Ų129.981%0.81379%0.789SS**  trans-143.6175.8152.7-159.5-0.1000109.5
542N38.1Very low40.7Very low156 Ų156130 Ų13083%0.83479%0.79SS**  trans-75.4147-163.7-69.4-95.6000114.8
543G36.1Very low41.3Very low77 Ų77126.6 Ų126.679%0.79479%0.791SS**  trans158.895.5162.600000115.1
544G44.1Very low41.6Very low81 Ų81124 Ų12484%0.83578%0.783SS**  trans-88.2130.6-179.500000114.6
545V40.5Very low41.9Very low149 Ų149123.8 Ų123.890%0.90379%0.788SS**  trans-141.8160.1163.9-96.80000110.6
546K45.2Very low42.4Very low219 Ų219123.2 Ų123.295%0.95279%0.793SS**  trans-95.8137.8-165.1-58.2177.4-178178.60112.8
547G34.5Very low42.4Very low68 Ų68119 Ų11970%0.70179%0.786SS**  trans-130.5154.4165.600000110.9
548P44.2Very low42.1Very low134 Ų134122.8 Ų122.887%0.8780%0.795SS**  trans-82.1155-167.332.8-35.9000114.2
549A36Very low42.5Very low91 Ų91124.6 Ų124.675%0.75280%0.801SS**  trans-80145.8-179.300000113.3
550V42.2Very low42.7Very low139 Ų139122.2 Ų122.284%0.84280%0.795SS**  trans-116.4117.3152.1178.20000106.4
551V43.7Very low42.9Very low125 Ų125127.3 Ų127.376%0.75880%0.8SS**PPolyproline II helixtrans-89.6123.3-177178.20000109.3
552L40.3Very low43.3Very low153 Ų153128.1 Ų128.180%0.80180%0.803SS**PPolyproline II helixtrans-102.1136.8162.9-72172.4000109
553P49.2Very low43.4Very low109 Ų109130.9 Ų130.971%0.70880%0.803SS**PPolyproline II helixtrans-73.7147.7-176.930.5-34.9000111.6
554P51.2Low43.9Very low114 Ų114134.5 Ų134.574%0.7480%0.804SS**PPolyproline II helixtrans-69.1145.9173.730-34.6000111
555P49.8Very low44Very low118 Ų118137.3 Ų137.377%0.76680%0.8SS**PPolyproline II helixtrans-63.9148.7166.229.2-33.9000110.2
556P51Low44.1Very low128 Ų128136 Ų13683%0.83179%0.792SS**PPolyproline II helixtrans-67.5151.8-177.328.8-35.3000112.3
557G38.5Very low43.9Very low63 Ų63131.6 Ų131.665%0.64978%0.783SS**PPolyproline II helixtrans-74.4161.8171.200000112.7
558E39.2Very low44.1Very low204 Ų204135.4 Ų135.495%0.95379%0.788SS**  trans-119.160.1169.5-167.5170.2-143.100109.1
559D46.7Very low44.4Very low156 Ų156133.5 Ų133.583%0.83478%0.775SS**  trans-85.7108.4167.246.4-43.7000109.9
560G45.3Very low44.4Very low64 Ų64136.2 Ų136.266%0.6678%0.777SS**  trans-148.335.9-160.900000116.4
561E46.7Very low44.3Very low173 Ų173137.4 Ų137.481%0.80878%0.778SS**  trans48.675.2149-61.7-68172.700118.8
562I47.4Very low44.1Very low169 Ų169139 Ų13987%0.86778%0.777SS**  trans-134.389.4146.8-54.2-178.1000109.3
563Y40.5Very low44.1Very low215 Ų215137.2 Ų137.284%0.84377%0.772SS**  trans-105.9132.3163.9-108.2-90.6000108.9
564D45.4Very low43.4Very low153 Ų153142 Ų14282%0.81878%0.776SS**  trans157.3139.3153.3-93.11.9000109
565D46.3Very low43.2Very low140 Ų140144.5 Ų144.575%0.74978%0.782SS**  cis-151.7175.9-18.1-165.29000108.3
566V43.4Very low42.5Very low120 Ų120144.3 Ų144.373%0.72778%0.782SS**  trans-81170.5-170.4-76.50000116
567V39.7Very low41.9Very low127 Ų127142.5 Ų142.577%0.7778%0.777SS**  trans10284.5159.7-166.80000118.9
568D39.6Very low42Very low149 Ų149144.9 Ų144.980%0.79778%0.781SS**  65.9-164.4118-13028.8000118.5
569P49.4Very low41.8Very low94 Ų94141.3 Ų141.361%0.6177%0.769SS**  -125.799.1-8434.1-17.2000115.4
570N36.7Very low41.1Very low148 Ų148141.3 Ų141.379%0.79176%0.764SS**  trans-178.7121.5143.2-114.6-24.2000114
571L40.9Very low40.5Very low163 Ų163148.4 Ų148.485%0.85378%0.777SS**  trans-156.380.3141.9-152.870000112.2V573L571-V573 PolarHBondContact O-N 2.88Å
572E38.7Very low39.8Very low159 Ų159144.8 Ų144.874%0.74378%0.777SS**  trans-63.7110.9164-72.9-169.899.600110.7
573V41.2Very low39.1Very low115 Ų115141.6 Ų141.670%0.69778%0.775SS**  trans-128.973.1152.6-168.10000110.4L571 L575L571-V573 PolarHBondContact O-N 2.88Å; V573-L575 PolarHBondContact O-N 3.01Å
574R33.4Very low38.6Very low209 Ų209136.3 Ų136.379%0.78978%0.776SS**  trans-45.9124.9157.1179.6-173.8-164.1148.5-1110.2P576R574-P576 WeakPolarHBondContact O-CD 3.49Å
575L47.1Very low37.9Very low167 Ų167132.1 Ų132.187%0.87477%0.769SS**  trans-81.6119.2178.1-69.7170.5000112.4V573V573-L575 PolarHBondContact O-N 3.01Å
576P35.4Very low37.3Very low115 Ų115133.8 Ų133.875%0.74778%0.778SS**  trans-126.6164.5145.439.5-32.8000113R574R574-P576 WeakPolarHBondContact O-CD 3.49Å
577A37.8Very low36.8Very low90 Ų90133.3 Ų133.374%0.74479%0.787SS**  trans-79.1-177.8175.700000111.3
578P42.3Very low37Very low113 Ų113131.8 Ų131.873%0.73479%0.787SS**  cis-152.2-1803742.4-19.4000119.9
579D33.1Very low37.4Very low128 Ų128130.7 Ų130.768%0.68479%0.788SS**  trans86.8137.9133.9-97.814.4000125.8
580Q33.9Very low36.9Very low157 Ų157131.2 Ų131.273%0.73480%0.801SS**  trans64120.4145.7-66.7172.55300121.2
581F32.6Very low37.1Very low213 Ų213128.9 Ų128.993%0.93480%0.801SS**  -151.3160.2103.6-114.2-80000110.6
582A30.9Very low37.6Very low97 Ų97126.7 Ų126.780%0.80280%0.797SS**  trans-132.8153.3-168.900000113.7
583A33.3Very low37.8Very low102 Ų102126.9 Ų126.984%0.84380%0.802SS**  trans-161.2157.3157.600000112.4
584A30.6Very low37.9Very low104 Ų104128.2 Ų128.286%0.8681%0.805SS**  trans-74.9170.4167.900000111.2
585G29.7Very low38.2Very low65 Ų65127.3 Ų127.367%0.6781%0.809SS**  cis140.1163.1200000111.3
586N33.4Very low38.3Very low175 Ų175127.8 Ų127.894%0.93681%0.807SS**  trans62.4105.8-179.6-67.5-36.5000118.5
587A34.1Very low38.6Very low110 Ų110127.9 Ų127.991%0.90980%0.8SS**  trans-167.1158.8133.200000110.8
588A42.8Very low38.7Very low94 Ų94133.7 Ų133.778%0.77781%0.805SS**  trans-151.6168.917000000108.9
589P47.7Very low39.3Very low127 Ų127134.6 Ų134.683%0.82580%0.803SS**  cis-115.1-179.9-24.338.5-25.4000111.6
590A38.6Very low39.7Very low105 Ų105135.1 Ų135.187%0.86881%0.806SS**  trans-87.1147.3178.100000113.8
591A42.1Very low40.2Very low98 Ų98133.8 Ų133.881%0.8181%0.808SS**  trans-149.5148.3160.100000109.1
592P50.8Low40.5Very low117 Ų117129 Ų12976%0.7679%0.793SS**  trans-100.1157.1-170.738.2-34.9000114.8
593I43.3Very low41.4Very low164 Ų164130.6 Ų130.684%0.84180%0.797SS**  trans-142.6129.8152.750.2177.5000105.1
594D43.9Very low41.8Very low142 Ų142133.7 Ų133.776%0.75980%0.795SS**  cis66.881.93.3-148.740.4000115.2
595E40Very low42.4Very low190 Ų190135.7 Ų135.789%0.88879%0.791SS**  trans-152.8146.2142.9-124.2166.5-157.100109.1
596E47.8Very low43.5Very low178 Ų178137 Ų13783%0.83280%0.795SS**  trans-99.3-141.9-168.6-55173.1113.800111.7
597I42.8Very low44.4Very low117 Ų117133.6 Ų133.660%0.678%0.783SS**  trans79.384157.3-35.3176.7000117.1
598Y38.7Very low45.3Very low212 Ų212133.8 Ų133.883%0.83177%0.774SS**  176.5120.7105.6-92.3-65.2000107.5
599D55.3Low45.8Very low132 Ų132134.8 Ų134.871%0.70677%0.773SS**  cis76.9133.323-149.917000115.2
600D42.1Very low45.7Very low138 Ų138134 Ų13474%0.73877%0.768SS**  trans55.3151.9-163.3-75.4-42.5000115.9
601V44Very low46Very low129 Ų129134.4 Ų134.478%0.78276%0.762SS**  cis-137.4145.815-139.20000113
602D39.5Very low46.1Very low114 Ų114138.2 Ų138.261%0.6177%0.767SS**  trans51114.3153.2-125.5-34.1000122.2Q604D602-Q604 WeakPolarHBondContact OD1-CB 3.41Å; D602-Q604 PolarHBondContact OD1-N 3.25Å
603S48Very low45.8Very low129 Ų129137.8 Ų137.890%0.90277%0.766SS**  trans-148.955.5145.6-74.20000108.7
604Q42.5Very low45.8Very low168 Ų168135.2 Ų135.279%0.78576%0.763SS**  trans-66.7154.5176.1-76-150.3-16.700113.4D602D602-Q604 WeakPolarHBondContact OD1-CB 3.41Å; D602-Q604 PolarHBondContact OD1-N 3.25Å
605N42.6Very low45.5Very low145 Ų145136.5 Ų136.578%0.77577%0.769SS**  trans74.958150.6-15282.2000118.6
606A53.6Low45.6Very low92 Ų92132.6 Ų132.676%0.7676%0.76SS**PPolyproline II helix-98.3132.6126.200000108.3
607P52.3Low45Very low104 Ų104127.4 Ų127.468%0.67576%0.755SS**PPolyproline II helixtrans-66.6146.6175.428.6-34000110.4
608P53.4Low44.9Very low114 Ų114128.6 Ų128.674%0.7476%0.759SS**PPolyproline II helixtrans-63.1139.1177.227.1-34.2000110.2
609P51.9Low44.9Very low115 Ų115126.4 Ų126.475%0.74775%0.754SS**PPolyproline II helixtrans-60.1144.617426.3-34.1000110.1
610P46.2Very low44.2Very low112 Ų112123.9 Ų123.973%0.72776%0.759SS**PPolyproline II helixtrans-59.6147.7178.226-34.4000110.5I612P610-I612 PolarHBondContact O-N 2.89Å
611P46.2Very low43.9Very low112 Ų112125.4 Ų125.473%0.72776%0.759SS**PPolyproline II helixtrans-60.9126-175.324.7-34.1000111S613P611-S613 VanDerWaalsContact C-N 3.32Å; P611-S613 PolarHBondContact O-N 3.32Å
612I43.3Very low43.8Very low178 Ų178126.4 Ų126.491%0.91376%0.76SS**SBendtrans-62.389.2175.241.7171.1000110.9P610P610-I612 PolarHBondContact O-N 2.89Å
613S43.6Very low43.9Very low108 Ų108128.8 Ų128.876%0.75577%0.765SS**  trans-139.128176.7-70.10000111.5P611P611-S613 VanDerWaalsContact C-N 3.32Å; P611-S613 PolarHBondContact O-N 3.32Å
614S44.3Very low43.8Very low110 Ų110126.2 Ų126.277%0.76975%0.752SS**  trans-141.675.9-173.9-56.10000111.7
615L37.4Very low43.7Very low169 Ų169126 Ų12689%0.88575%0.75SS**  trans-171129.5154.7-104.6161.6000109.2G617L615-G617 PolarHBondContact O-N 3.06Å
616P41.8Very low44Very low108 Ų108126 Ų12670%0.70175%0.751SS**  trans-91.181.8-166.735.3-34.3000113.2M618P616-M618 PolarHBondContact O-N 3.39Å; P616-M618 VanDerWaalsContact O-N 3.11Å
617G34.5Very low44.1Very low70 Ų70125.4 Ų125.472%0.72273%0.733SS**  trans-62112.3166.500000111.3L615 K619L615-G617 PolarHBondContact O-N 3.06Å; G617-K619 PolarHBondContact O-N 3.16Å
618M42.4Very low44.7Very low141 Ų141124.6 Ų124.670%0.69572%0.723SS**  trans-7455.8-174.6-76.3-179.764.100115P616 G620P616-M618 PolarHBondContact O-N 3.39Å; P616-M618 VanDerWaalsContact O-N 3.11Å; M618-G620 PolarHBondContact O-N 2.8Å
619K38.8Very low45.7Very low167 Ų167122.6 Ų122.673%0.72671%0.71SS**  trans32.863.4130.6-154.1169.6-170.9167.80117.9G617 K621G617-K619 PolarHBondContact O-N 3.16Å; K619-K621 HydrophobicContact CG-CB 4.27Å; K619-K621 PolarHBondContact O-N 3.3Å
620G39.7Very low46.6Very low78 Ų78124.4 Ų124.480%0.80471%0.706SS**  trans-65.840.7158.800000114.1M618M618-G620 PolarHBondContact O-N 2.8Å
621K36.8Very low47.8Very low171 Ų171123 Ų12374%0.74369%0.688SS**  trans-109.9103.5176.1-79-171.1174.5179.50109.9K619 K623K619-K621 HydrophobicContact CG-CB 4.27Å; K619-K621 PolarHBondContact O-N 3.3Å; K621-K623 PolarHBondContact O-N 3.34Å; K621-K623 VanDerWaalsContact O-N 3.17Å
622N41.2Very low49.2Very low150 Ų150123 Ų12380%0.80268%0.679SS**  trans-41.2110.6-177.1-63.6-38.4000113.6A624N622-A624 HydrophobicContact CB-CB 4.47Å; N622-A624 PolarHBondContact O-N 2.97Å
623K41.1Very low50.9Low164 Ų164119 Ų11971%0.71366%0.655SS**THydrogen-bonded Turntrans-71.633.3171.5-67.9179.9-178.6166.70113K621K621-K623 PolarHBondContact O-N 3.34Å; K621-K623 VanDerWaalsContact O-N 3.17Å
624A47.2Very low52.5Low75 Ų75119.7 Ų119.762%0.6264%0.644SS**THydrogen-bonded Turntrans-79.8-24.8-178.800000113.1N622N622-A624 HydrophobicContact CB-CB 4.47Å; N622-A624 PolarHBondContact O-N 2.97Å
625E39.9Very low54.2Low162 Ų162115.7 Ų115.776%0.75761%0.613SS**THydrogen-bonded Turntrans-78.9-23.4-169.1-162174.8178.400114.4
626D47.6Very low56.3Low147 Ų147113.6 Ų113.679%0.78660%0.599SS**THydrogen-bonded Turntrans-120.253.6-177.9-156.1-14.6000112.3
627M56.6Low58.3Low79 Ų79114.7 Ų114.739%0.38959%0.593SS.*SBendtrans-121.9125.2170.3-84.4-68.7128.400110.9K631 F635M627-K631 HydrophobicContact SD-CB 4.44Å; M627-K631 HydrophobicContact SD-CD 3.84Å; M627-F635 HydrophobicContact CG-CE2 4.08Å; M627-F635 HydrophobicContact SD-CE2 3.66Å; M627-F635 HydrophobicContact SD-CZ 4.02Å
628D65.4Low60.7Low87 Ų87113.9 Ų113.947%0.46557%0.57SS.*  trans-47.3127.7175.5173.8-4.6000110.3K630 K631 Q632D628-K630 PolarHBondContact O-N 2.95Å; D628-K630 VanDerWaalsContact OD1-CB 3.24Å; D628-K630 WeakPolarHBondContact OD1-CB 3.47Å; D628-K630 PolarHBondContact OD1-N 3.28Å; D628-K631 HydrophobicContact CB-CB 4.3Å; D628-K631 HydrophobicContact CB-CG 4.26Å; D628-K631 CarbonylContact O-C 3.59Å; D628-K631 WeakPolarHBondContact O-CA 3.19Å; D628-K631 WeakPolarHBondContact O-CB 3.46Å; D628-K631 PolarHBondContact O-N 3.32Å; D628-Q632 PolarHBondContact O-N 3.3Å
629P74.1Confident62.7Low71 Ų71109.3 Ų109.346%0.46155%0.547SS..Hα-helixtrans-62.7-4.5177.825.1-34.9000114.2
630K70.4Confident64.7Low153 Ų153109.2 Ų109.267%0.66555%0.547SS*.Hα-helixtrans-86.6-30.8164.2-167.3-177177.8-173.40113.1D628D628-K630 PolarHBondContact O-N 2.95Å; D628-K630 VanDerWaalsContact OD1-CB 3.24Å; D628-K630 WeakPolarHBondContact OD1-CB 3.47Å; D628-K630 PolarHBondContact OD1-N 3.28Å
631K71.3Confident66.8Low82 Ų82109.4 Ų109.436%0.35753%0.526SS..Hα-helixtrans-73.3-46.6167.1-75.5-166.3173.4-1600110.8M627 D628 K633 K634 F635M627-K631 HydrophobicContact SD-CB 4.44Å; M627-K631 HydrophobicContact SD-CD 3.84Å; D628-K631 HydrophobicContact CB-CB 4.3Å; D628-K631 HydrophobicContact CB-CG 4.26Å; D628-K631 CarbonylContact O-C 3.59Å; D628-K631 WeakPolarHBondContact O-CA 3.19Å; D628-K631 WeakPolarHBondContact O-CB 3.46Å; D628-K631 PolarHBondContact O-N 3.32Å; K631-K633 PolarHBondContact O-N 3.48Å; K631-K634 WeakPolarHBondContact O-CA 3.48Å; K631-K634 VanDerWaalsContact O-CB 3.3Å; K631-K634 WeakPolarHBondContact O-CB 3.06Å; K631-K634 PolarHBondContact O-N 2.85Å; K631-F635 HydrophobicContact CB-CE1 4.32Å; K631-F635 HydrophobicContact CB-CE2 4.24Å; K631-F635 HydrophobicContact CB-CZ 4.04Å; K631-F635 HydrophobicContact CD-CZ 4.18Å; K631-F635 WeakPolarHBondContact O-CD1 3.39Å; K631-F635 WeakPolarHBondContact O-CG 3.07Å; K631-F635 PolarHBondContact O-N 3.25Å
632Q76Confident69.1Low112 Ų112101.4 Ų101.452%0.52349%0.492SS..Hα-helixtrans-54.6-48.6-179.3-168.3-177.51200112.6D628 K634 F635 E636D628-Q632 PolarHBondContact O-N 3.3Å; Q632-K634 VanDerWaalsContact C-N 3.26Å; Q632-K634 PolarHBondContact O-N 3.13Å; Q632-F635 WeakPolarHBondContact O-CB 3.34Å; Q632-F635 PolarHBondContact O-N 3.29Å; Q632-F635 VanDerWaalsContact O-N 3.13Å; Q632-E636 PolarHBondContact O-N 3.02Å
633K78.3Confident71.1Confident96 Ų9698.7 Ų98.742%0.41747%0.47SS..Hα-helixtrans-67.7-19.6175.9179.1158.7179.6148.40114.1L427 K631L427-K633 VanDerWaalsContact CD1-NZ 3.3Å; K631-K633 PolarHBondContact O-N 3.48Å
634K77.7Confident73.2Confident121 Ų12199.7 Ų99.753%0.52647%0.474SS..Hα-helixtrans-72.2-52.5166.4-76.3-179161.7-158.60109.7K631 Q632 E636 K637 E638K631-K634 WeakPolarHBondContact O-CA 3.48Å; K631-K634 VanDerWaalsContact O-CB 3.3Å; K631-K634 WeakPolarHBondContact O-CB 3.06Å; K631-K634 PolarHBondContact O-N 2.85Å; Q632-K634 VanDerWaalsContact C-N 3.26Å; Q632-K634 PolarHBondContact O-N 3.13Å; K634-E636 VanDerWaalsContact C-N 3.33Å; K634-E636 PolarHBondContact O-N 2.96Å; K634-K637 WeakPolarHBondContact O-CA 3.26Å; K634-K637 WeakPolarHBondContact O-CB 3.42Å; K634-K637 PolarHBondContact O-N 2.98Å; K634-E638 WeakPolarHBondContact O-CG 3.46Å; K634-E638 PolarHBondContact O-N 3.01Å
635F79.9Confident74.8Confident26 Ų2699.8 Ų99.811%0.11446%0.461CS..Hα-helixtrans-54.1-48.1-177.6-61.7-12.9000111.8M627 K631 Q632 K637 E638 E639 R696M627-F635 HydrophobicContact CG-CE2 4.08Å; M627-F635 HydrophobicContact SD-CE2 3.66Å; M627-F635 HydrophobicContact SD-CZ 4.02Å; K631-F635 HydrophobicContact CB-CE1 4.32Å; K631-F635 HydrophobicContact CB-CE2 4.24Å; K631-F635 HydrophobicContact CB-CZ 4.04Å; K631-F635 HydrophobicContact CD-CZ 4.18Å; K631-F635 WeakPolarHBondContact O-CD1 3.39Å; K631-F635 WeakPolarHBondContact O-CG 3.07Å; K631-F635 PolarHBondContact O-N 3.25Å; Q632-F635 WeakPolarHBondContact O-CB 3.34Å; Q632-F635 PolarHBondContact O-N 3.29Å; Q632-F635 VanDerWaalsContact O-N 3.13Å; F635-K637 VanDerWaalsContact C-N 3.27Å; F635-K637 PolarHBondContact O-N 3.1Å; F635-E638 PolarHBondContact O-N 3.44Å; F635-E639 WeakPolarHBondContact O-CB 3.37Å; F635-E639 PolarHBondContact O-N 2.91Å; F635-R696 VanDerWaalsContact CG-NH2 3.31Å
636E81.4Confident76.7Confident126 Ų12693.7 Ų93.759%0.58943%0.432SS*.Hα-helixtrans-57.1-36.3175.5-176.3-173.6-164.700113.1Q632 K634 K640Q632-E636 PolarHBondContact O-N 3.02Å; K634-E636 VanDerWaalsContact C-N 3.33Å; K634-E636 PolarHBondContact O-N 2.96Å; E636-K640 WeakPolarHBondContact O-CB 3.14Å; E636-K640 PolarHBondContact O-N 3.19Å
637K84.1Confident78.4Confident131 Ų13196 Ų9657%0.5744%0.435SS*.Hα-helixtrans-74.8-45.5177.8-166.1-142.3172.1-141.10111.8K634 F635 E639 K640 E641K634-K637 WeakPolarHBondContact O-CA 3.26Å; K634-K637 WeakPolarHBondContact O-CB 3.42Å; K634-K637 PolarHBondContact O-N 2.98Å; F635-K637 VanDerWaalsContact C-N 3.27Å; F635-K637 PolarHBondContact O-N 3.1Å; K637-E639 VanDerWaalsContact C-N 3.3Å; K637-K640 PolarHBondContact O-N 2.89Å; K637-E641 PolarHBondContact O-N 2.72Å
638E84.9Confident79.7Confident52 Ų5295.2 Ų95.224%0.24343%0.428CS..Hα-helixtrans-64.6-36.3176.5-59.7-68139.900110.8K634 F635 E641 F642 G700 F702K634-E638 WeakPolarHBondContact O-CG 3.46Å; K634-E638 PolarHBondContact O-N 3.01Å; F635-E638 PolarHBondContact O-N 3.44Å; E638-E641 PolarHBondContact O-N 3.38Å; E638-F642 WeakPolarHBondContact O-CB 3.38Å; E638-F642 PolarHBondContact O-N 2.71Å; E638-G700 WeakPolarHBondContact CB-O 3.15Å; E638-F702 HydrophobicContact CB-CD2 4.17Å; E638-F702 HydrophobicContact CB-CE2 4.16Å
639E83.8Confident80.3Confident46 Ų4698.6 Ų98.622%0.21545%0.446CS..Hα-helixtrans-62.2-46.7171.9156.7158-156.400111.8F635 K637 E641 F642 R643 I652 F702F635-E639 WeakPolarHBondContact O-CB 3.37Å; F635-E639 PolarHBondContact O-N 2.91Å; K637-E639 VanDerWaalsContact C-N 3.3Å; E639-E641 VanDerWaalsContact C-N 3.27Å; E639-E641 PolarHBondContact O-N 3.23Å; E639-F642 WeakPolarHBondContact O-CB 3.37Å; E639-F642 PolarHBondContact O-N 2.79Å; E639-F642 VanDerWaalsContact O-N 3.16Å; E639-R643 WeakPolarHBondContact O-CG 3.46Å; E639-R643 PolarHBondContact O-N 2.87Å; E639-R643 IonicContact OE1-CZ 2.65Å; E639-R643 VanDerWaalsContact OE1-CZ 3.31Å; E639-R643 IonicContact OE1-NE 2.8Å; E639-R643 PolarHBondContact OE1-NE 2.85Å; E639-R643 IonicContact OE1-NH2 3.51Å; E639-R643 PolarHBondContact OE1-NH2 3.14Å; E639-I652 HydrophobicContact CB-CD1 3.84Å; E639-I652 HydrophobicContact CG-CD1 3.48Å; E639-I652 VanDerWaalsContact CG-CD1 3.48Å; E639-I652 HydrophobicContact CG-CG1 4.44Å; E639-I652 WeakPolarHBondContact OE1-CD1 3.32Å; E639-F702 HydrophobicContact CB-CE2 4.08Å; E639-F702 HydrophobicContact CB-CZ 4.28Å
640K81.3Confident80.5Confident165 Ų16596.8 Ų96.872%0.71744%0.441SS*.Hα-helixtrans-65.2-31.4176.7-167.1169.5-175.91740112.1E636 K637 K644E636-K640 WeakPolarHBondContact O-CB 3.14Å; E636-K640 PolarHBondContact O-N 3.19Å; K637-K640 PolarHBondContact O-N 2.89Å; K640-K644 PolarHBondContact O-N 2.89Å
641E83.7Confident81.1Confident81 Ų8195.8 Ų95.838%0.37944%0.439SS..Hα-helixtrans-69.3-46.3169-172.9173.8145.700111.4K637 E638 E639 K644 K645K637-E641 PolarHBondContact O-N 2.72Å; E638-E641 PolarHBondContact O-N 3.38Å; E639-E641 VanDerWaalsContact C-N 3.27Å; E639-E641 PolarHBondContact O-N 3.23Å; E641-K644 PolarHBondContact O-N 2.99Å; E641-K645 HydrophobicContact CG-CD 4.04Å; E641-K645 WeakPolarHBondContact O-CB 3.41Å; E641-K645 PolarHBondContact O-N 3.02Å; E641-K645 IonicContact OE1-NZ 2.7Å; E641-K645 PolarHBondContact OE1-NZ 2.94Å
642F85.7Confident81.7Confident3 Ų392.9 Ų92.91%0.01343%0.427CS..Hα-helixtrans-55.8-54.5178168.6-107.1000112.3E638 E639 K644 K645 F646 Y648 I652 I685 V686 V694 F702E638-F642 WeakPolarHBondContact O-CB 3.38Å; E638-F642 PolarHBondContact O-N 2.71Å; E639-F642 WeakPolarHBondContact O-CB 3.37Å; E639-F642 PolarHBondContact O-N 2.79Å; E639-F642 VanDerWaalsContact O-N 3.16Å; F642-K644 VanDerWaalsContact C-N 3.26Å; F642-K644 PolarHBondContact O-N 3.44Å; F642-K645 PolarHBondContact O-N 2.88Å; F642-F646 HydrophobicContact CD2-CB 4.01Å; F642-F646 HydrophobicContact CD2-CD1 4.29Å; F642-F646 AromaticContact CD2-CD2 3.27Å; F642-F646 HydrophobicContact CD2-CD2 3.27Å; F642-F646 AromaticContact CD2-CE2 3.74Å; F642-F646 HydrophobicContact CD2-CE2 3.74Å; F642-F646 AromaticContact CD2-CG 3.61Å; F642-F646 HydrophobicContact CD2-CG 3.61Å; F642-F646 HydrophobicContact CD2-CZ 4.41Å; F642-F646 HydrophobicContact CE2-CB 3.59Å; F642-F646 AromaticContact CE2-CD1 3.74Å; F642-F646 HydrophobicContact CE2-CD1 3.74Å; F642-F646 AromaticContact CE2-CD2 3.56Å; F642-F646 HydrophobicContact CE2-CD2 3.56Å; F642-F646 HydrophobicContact CE2-CE1 4.28Å; F642-F646 HydrophobicContact CE2-CE2 4.16Å; F642-F646 AromaticContact CE2-CG 3.34Å; F642-F646 HydrophobicContact CE2-CG 3.34Å; F642-F646 HydrophobicContact CE2-CZ 4.49Å; F642-F646 HydrophobicContact CG-CD2 4.3Å; F642-F646 HydrophobicContact CZ-CB 4.18Å; F642-F646 HydrophobicContact CZ-CG 4.36Å; F642-F646 WeakPolarHBondContact O-CB 3.4Å; F642-F646 PolarHBondContact O-N 3.23Å; F642-Y648 HydrophobicContact CD1-CD1 4.46Å; F642-Y648 AromaticContact CE1-CD1 3.59Å; F642-Y648 HydrophobicContact CE1-CD1 3.59Å; F642-Y648 HydrophobicContact CE1-CD2 4.16Å; F642-Y648 HydrophobicContact CE1-CE1 4.27Å; F642-Y648 AromaticContact CE1-CG 3.5Å; F642-Y648 HydrophobicContact CE1-CG 3.5Å; F642-Y648 VanDerWaalsContact CE1-CG 3.5Å; F642-Y648 HydrophobicContact CZ-CD1 4.32Å; F642-Y648 HydrophobicContact CZ-CD2 4.07Å; F642-Y648 AromaticContact CZ-CG 3.8Å; F642-Y648 HydrophobicContact CZ-CG 3.8Å; F642-I652 HydrophobicContact CD1-CD1 3.53Å; F642-I652 HydrophobicContact CD1-CG1 4.36Å; F642-I652 HydrophobicContact CE1-CD1 4Å; F642-I652 HydrophobicContact CE1-CG1 4.37Å; F642-I685 HydrophobicContact CE1-CG2 4.46Å; F642-V686 HydrophobicContact CZ-CG2 4.36Å; F642-V694 HydrophobicContact CD2-CG1 4.21Å; F642-V694 HydrophobicContact CE2-CB 4.41Å; F642-V694 HydrophobicContact CE2-CG1 3.44Å; F642-V694 VanDerWaalsContact CE2-CG1 3.44Å; F642-V694 HydrophobicContact CE2-CG2 4.3Å; F642-V694 HydrophobicContact CZ-CG1 3.91Å; F642-F702 HydrophobicContact CB-CB 3.84Å; F642-F702 HydrophobicContact CB-CD1 4.32Å; F642-F702 HydrophobicContact CB-CD2 3.72Å; F642-F702 HydrophobicContact CB-CE2 4.35Å; F642-F702 HydrophobicContact CB-CG 3.71Å; F642-F702 HydrophobicContact CD1-CD1 4.17Å; F642-F702 HydrophobicContact CD1-CE1 4.44Å; F642-F702 HydrophobicContact CD1-CG 4.39Å; F642-F702 HydrophobicContact CD2-CB 3.57Å; F642-F702 HydrophobicContact CD2-CD1 4.18Å; F642-F702 AromaticContact CD2-CG 3.98Å; F642-F702 HydrophobicContact CD2-CG 3.98Å; F642-F702 HydrophobicContact CE2-CB 4.43Å; F642-F702 HydrophobicContact CG-CB 3.82Å; F642-F702 AromaticContact CG-CD1 3.93Å; F642-F702 HydrophobicContact CG-CD1 3.93Å; F642-F702 HydrophobicContact CG-CD2 4.23Å; F642-F702 AromaticContact CG-CG 3.74Å; F642-F702 HydrophobicContact CG-CG 3.74Å
643R83.3Confident82Confident93 Ų9393 Ų9335%0.35143%0.427SS..Hα-helixtrans-52.4-45.4177.7-68-179.3-175.4-1249.2111.1E639 K647 Y648 G650E639-R643 WeakPolarHBondContact O-CG 3.46Å; E639-R643 PolarHBondContact O-N 2.87Å; E639-R643 IonicContact OE1-CZ 2.65Å; E639-R643 VanDerWaalsContact OE1-CZ 3.31Å; E639-R643 IonicContact OE1-NE 2.8Å; E639-R643 PolarHBondContact OE1-NE 2.85Å; E639-R643 IonicContact OE1-NH2 3.51Å; E639-R643 PolarHBondContact OE1-NH2 3.14Å; R643-K647 VanDerWaalsContact O-CA 3.23Å; R643-K647 WeakPolarHBondContact O-CA 3.26Å; R643-K647 PolarHBondContact O-N 2.8Å; R643-Y648 WeakPolarHBondContact CB-O 3.38Å; R643-Y648 WeakPolarHBondContact CG-O 3.35Å; R643-Y648 PolarHBondContact O-N 2.88Å; R643-Y648 VanDerWaalsContact O-N 3.14Å; R643-G650 PolarHBondContact NH1-O 2.79Å; R643-G650 VanDerWaalsContact NH1-O 3.16Å
644K85.1Confident82.5Confident185 Ų18591.9 Ų91.980%0.80443%0.428SS*.Hα-helixtrans-65.7-39.3175.8-177.6176179.9177.50114K640 E641 F642K640-K644 PolarHBondContact O-N 2.89Å; E641-K644 PolarHBondContact O-N 2.99Å; F642-K644 VanDerWaalsContact C-N 3.26Å; F642-K644 PolarHBondContact O-N 3.44Å
645K80.2Confident82.9Confident77 Ų7789.7 Ų89.734%0.33542%0.422SS..Hα-helixtrans-88.4-23.3-167.5-170.3174.4-169.3177.30113.7E641 F642 G671E641-K645 HydrophobicContact CG-CD 4.04Å; E641-K645 WeakPolarHBondContact O-CB 3.41Å; E641-K645 PolarHBondContact O-N 3.02Å; E641-K645 IonicContact OE1-NZ 2.7Å; E641-K645 PolarHBondContact OE1-NZ 2.94Å; F642-K645 PolarHBondContact O-N 2.88Å; K645-G671 WeakPolarHBondContact CE-O 3.49Å; K645-G671 PolarHBondContact NZ-O 3.07Å; K645-G671 VanDerWaalsContact NZ-O 3.07Å
646F80.6Confident83.2Confident35 Ų3591.2 Ų91.215%0.15443%0.427CS..Hα-helixtrans-111.9-5178-68.5-108.7000112.9F642 Y648 K672 V694 Y704F642-F646 HydrophobicContact CD2-CB 4.01Å; F642-F646 HydrophobicContact CD2-CD1 4.29Å; F642-F646 AromaticContact CD2-CD2 3.27Å; F642-F646 HydrophobicContact CD2-CD2 3.27Å; F642-F646 AromaticContact CD2-CE2 3.74Å; F642-F646 HydrophobicContact CD2-CE2 3.74Å; F642-F646 AromaticContact CD2-CG 3.61Å; F642-F646 HydrophobicContact CD2-CG 3.61Å; F642-F646 HydrophobicContact CD2-CZ 4.41Å; F642-F646 HydrophobicContact CE2-CB 3.59Å; F642-F646 AromaticContact CE2-CD1 3.74Å; F642-F646 HydrophobicContact CE2-CD1 3.74Å; F642-F646 AromaticContact CE2-CD2 3.56Å; F642-F646 HydrophobicContact CE2-CD2 3.56Å; F642-F646 HydrophobicContact CE2-CE1 4.28Å; F642-F646 HydrophobicContact CE2-CE2 4.16Å; F642-F646 AromaticContact CE2-CG 3.34Å; F642-F646 HydrophobicContact CE2-CG 3.34Å; F642-F646 HydrophobicContact CE2-CZ 4.49Å; F642-F646 HydrophobicContact CG-CD2 4.3Å; F642-F646 HydrophobicContact CZ-CB 4.18Å; F642-F646 HydrophobicContact CZ-CG 4.36Å; F642-F646 WeakPolarHBondContact O-CB 3.4Å; F642-F646 PolarHBondContact O-N 3.23Å; F646-Y648 VanDerWaalsContact C-N 3.28Å; F646-Y648 PolarHBondContact O-N 2.73Å; F646-K672 HydrophobicContact CZ-CB 4.12Å; F646-V694 HydrophobicContact CD1-CG2 3.95Å; F646-V694 HydrophobicContact CE1-CG2 3.93Å; F646-Y704 HydrophobicContact CD1-CE1 4.27Å; F646-Y704 AromaticContact CD1-CE2 4Å; F646-Y704 HydrophobicContact CD1-CE2 4Å; F646-Y704 AromaticContact CD1-CZ 3.72Å; F646-Y704 HydrophobicContact CE1-CD1 4.23Å; F646-Y704 AromaticContact CE1-CD2 3.73Å; F646-Y704 HydrophobicContact CE1-CD2 3.73Å; F646-Y704 AromaticContact CE1-CE1 3.9Å; F646-Y704 HydrophobicContact CE1-CE1 3.9Å; F646-Y704 AromaticContact CE1-CE2 3.36Å; F646-Y704 HydrophobicContact CE1-CE2 3.36Å; F646-Y704 HydrophobicContact CE1-CG 4.14Å; F646-Y704 AromaticContact CE1-CZ 3.45Å; F646-Y704 VanDerWaalsContact CE1-CZ 3.45Å; F646-Y704 HydrophobicContact CZ-CD2 4.25Å; F646-Y704 HydrophobicContact CZ-CE2 4.15Å
647K83.4Confident83.5Confident196 Ų19688 Ų8885%0.85241%0.412SS*.THydrogen-bonded Turntrans56.639.7-172.4-56.8-176177.1-175.10112.6R643R643-K647 VanDerWaalsContact O-CA 3.23Å; R643-K647 WeakPolarHBondContact O-CA 3.26Å; R643-K647 PolarHBondContact O-N 2.8Å
648Y83.9Confident83.7Confident62 Ų6281.9 Ų81.924%0.24339%0.386CS..  trans-89.7118.4-178-172.1-92.7000110.7F642 R643 F646 G650 E651 I652 V686F642-Y648 HydrophobicContact CD1-CD1 4.46Å; F642-Y648 AromaticContact CE1-CD1 3.59Å; F642-Y648 HydrophobicContact CE1-CD1 3.59Å; F642-Y648 HydrophobicContact CE1-CD2 4.16Å; F642-Y648 HydrophobicContact CE1-CE1 4.27Å; F642-Y648 AromaticContact CE1-CG 3.5Å; F642-Y648 HydrophobicContact CE1-CG 3.5Å; F642-Y648 VanDerWaalsContact CE1-CG 3.5Å; F642-Y648 HydrophobicContact CZ-CD1 4.32Å; F642-Y648 HydrophobicContact CZ-CD2 4.07Å; F642-Y648 AromaticContact CZ-CG 3.8Å; F642-Y648 HydrophobicContact CZ-CG 3.8Å; R643-Y648 WeakPolarHBondContact CB-O 3.38Å; R643-Y648 WeakPolarHBondContact CG-O 3.35Å; R643-Y648 PolarHBondContact O-N 2.88Å; R643-Y648 VanDerWaalsContact O-N 3.14Å; F646-Y648 VanDerWaalsContact C-N 3.28Å; F646-Y648 PolarHBondContact O-N 2.73Å; Y648-G650 VanDerWaalsContact CE1-C 3.49Å; Y648-G650 WeakPolarHBondContact CE1-O 3.42Å; Y648-E651 PolarHBondContact OH-O 2.93Å; Y648-E651 VanDerWaalsContact OH-O 3.09Å; Y648-I652 HydrophobicContact CD1-CG1 4.44Å; Y648-I652 HydrophobicContact CE1-CG1 4.18Å; Y648-V686 HydrophobicContact CD2-CG2 3.99Å; Y648-V686 HydrophobicContact CE2-CG2 3.67Å
649D77Confident83.7Confident157 Ų15780.7 Ų80.784%0.8438%0.382SS*.  trans-103.6-10.7-173.8-151.934.5000113.4
650G79.4Confident83.8Confident34 Ų3478.6 Ų78.635%0.35137%0.372SS..SBendtrans-75.8178.6179.700000114.9R643 Y648R643-G650 PolarHBondContact NH1-O 2.79Å; R643-G650 VanDerWaalsContact NH1-O 3.16Å; Y648-G650 VanDerWaalsContact CE1-C 3.49Å; Y648-G650 WeakPolarHBondContact CE1-O 3.42Å
651E81.1Confident83.2Confident132 Ų13275.4 Ų75.462%0.61736%0.362SS*.  trans-75.7138165.2-175.9175.7-136.600110.5Y648 Q653Y648-E651 PolarHBondContact OH-O 2.93Å; Y648-E651 VanDerWaalsContact OH-O 3.09Å; E651-Q653 VanDerWaalsContact C-N 3.29Å; E651-Q653 HydrophobicContact CB-CG 4.3Å; E651-Q653 HydrophobicContact CG-CG 4.02Å; E651-Q653 PolarHBondContact O-N 3.32Å; E651-Q653 PolarHBondContact OE2-NE2 2.8Å
652I85.4Confident82.4Confident21 Ų2174.3 Ų74.311%0.10836%0.363CS..  trans-78.482.3175.9-59.8-168.2000109.6E639 F642 Y648 I685 F702E639-I652 HydrophobicContact CB-CD1 3.84Å; E639-I652 HydrophobicContact CG-CD1 3.48Å; E639-I652 VanDerWaalsContact CG-CD1 3.48Å; E639-I652 HydrophobicContact CG-CG1 4.44Å; E639-I652 WeakPolarHBondContact OE1-CD1 3.32Å; F642-I652 HydrophobicContact CD1-CD1 3.53Å; F642-I652 HydrophobicContact CD1-CG1 4.36Å; F642-I652 HydrophobicContact CE1-CD1 4Å; F642-I652 HydrophobicContact CE1-CG1 4.37Å; Y648-I652 HydrophobicContact CD1-CG1 4.44Å; Y648-I652 HydrophobicContact CE1-CG1 4.18Å; I652-I685 HydrophobicContact CG2-CD1 3.92Å; I652-I685 HydrophobicContact CG2-CG1 4.39Å; I652-I685 HydrophobicContact CG2-CG2 3.83Å; I652-F702 HydrophobicContact CD1-CE1 3.82Å; I652-F702 HydrophobicContact CD1-CZ 3.71Å; I652-F702 HydrophobicContact CG2-CE1 3.59Å; I652-F702 HydrophobicContact CG2-CZ 3.9Å
653Q82.1Confident81.1Confident114 Ų11478.7 Ų78.753%0.53339%0.392SS..  trans-88149.9170.6-60.7-173.1-0.300110.6E651 I685E651-Q653 VanDerWaalsContact C-N 3.29Å; E651-Q653 HydrophobicContact CB-CG 4.3Å; E651-Q653 HydrophobicContact CG-CG 4.02Å; E651-Q653 PolarHBondContact O-N 3.32Å; E651-Q653 PolarHBondContact OE2-NE2 2.8Å; Q653-I685 WeakPolarHBondContact O-CD1 3.39Å
654V88.8Confident80Confident73 Ų7375.7 Ų75.744%0.44238%0.383SS..  trans-95116.9171.6178.40000107.8D683 I685V654-D683 HydrophobicContact CB-CB 4.38Å; V654-D683 HydrophobicContact CG1-CB 3.64Å; V654-D683 HydrophobicContact CG2-CB 3.82Å; V654-I685 HydrophobicContact CG2-CD1 3.97Å
655L86.1Confident78.5Confident74 Ų7474 Ų7439%0.38738%0.383SS..  trans-79.1-52.2-175.9-61.3168000111.3V684 I685 K687L655-V684 PolarHBondContact N-O 2.94Å; L655-I685 WeakPolarHBondContact CD1-O 3.45Å; L655-K687 HydrophobicContact CD1-CG 3.7Å
656Y85.3Confident77.4Confident59 Ų5973.5 Ų73.523%0.23138%0.384CS..EExtended strand (participates in β ladder)trans-156170178.257.1-74.8000109.5V658 V684Y656-V658 HydrophobicContact CD2-CG1 3.55Å; Y656-V658 HydrophobicContact CE2-CG1 3.41Å; Y656-V658 VanDerWaalsContact CE2-CG1 3.41Å; Y656-V684 HydrophobicContact CD1-CB 4.04Å; Y656-V684 HydrophobicContact CD1-CG1 4.33Å; Y656-V684 HydrophobicContact CD1-CG2 4.39Å; Y656-V684 HydrophobicContact CD2-CG2 3.98Å; Y656-V684 HydrophobicContact CE1-CB 3.89Å; Y656-V684 HydrophobicContact CE1-CG1 3.71Å; Y656-V684 HydrophobicContact CE1-CG2 4.18Å; Y656-V684 HydrophobicContact CE2-CB 4.4Å; Y656-V684 HydrophobicContact CE2-CG2 3.79Å; Y656-V684 HydrophobicContact CG-CB 4.32Å; Y656-V684 HydrophobicContact CG-CG2 4.28Å; Y656-V684 PolarHBondContact O-N 2.92Å
657Q87.9Confident76.2Confident58 Ų5881.8 Ų81.827%0.27142%0.42SS..EExtended strand (participates in β ladder)trans-120122-178.4173.7160.797.700110K681 L682 D683Q657-K681 HydrophobicContact CG-CB 4.27Å; Q657-L682 WeakPolarHBondContact CA-O 3.38Å; Q657-D683 PolarHBondContact NE2-OD1 3.18Å
658V88.1Confident74.9Confident2 Ų281.6 Ų81.61%0.01242%0.419CS..EExtended strand (participates in β ladder)trans-111.1150.2-177.4-61.80000111.1Y656 K681 L682 V684 M693 V710 V711 D712Y656-V658 HydrophobicContact CD2-CG1 3.55Å; Y656-V658 HydrophobicContact CE2-CG1 3.41Å; Y656-V658 VanDerWaalsContact CE2-CG1 3.41Å; V658-K681 WeakPolarHBondContact O-CA 3.32Å; V658-L682 HydrophobicContact CG2-CB 3.96Å; V658-L682 PolarHBondContact N-O 3.08Å; V658-L682 PolarHBondContact O-N 2.91Å; V658-V684 HydrophobicContact CB-CG2 4.4Å; V658-V684 HydrophobicContact CG1-CG2 3.75Å; V658-V684 HydrophobicContact CG2-CG2 3.81Å; V658-M693 HydrophobicContact CG2-CE 4.09Å; V658-V710 HydrophobicContact CB-CB 4.08Å; V658-V710 HydrophobicContact CB-CG1 4.39Å; V658-V710 HydrophobicContact CB-CG2 4.47Å; V658-V710 HydrophobicContact CG2-CB 4.18Å; V658-V710 HydrophobicContact CG2-CG1 3.97Å; V658-V711 CarbonylContact C-O 3.53Å; V658-V711 WeakPolarHBondContact CA-O 3.41Å; V658-D712 HydrophobicContact CG1-CB 4.46Å
659T86.4Confident74.2Confident28 Ų2883.1 Ų83.117%0.17242%0.424CS..EExtended strand (participates in β ladder)trans-108130.6174.8-59.30000110.2I661 K681 V710 V711 D713T659-I661 PolarHBondContact O-N 3.07Å; T659-K681 PolarHBondContact OG1-NZ 3.34Å; T659-V710 WeakPolarHBondContact O-CA 3.49Å; T659-V711 PolarHBondContact N-O 3.04Å; T659-V711 PolarHBondContact O-N 3.2Å; T659-D713 PolarHBondContact OG1-OD1 3.06Å
660I84.1Confident73.7Confident1 Ų179 Ų791%0.00541%0.408CS..EExtended strand (participates in β ladder)trans-72.3115.6177-64.3152.1000109.9S662 L676 K677 G679 E680 L682 V710I660-S662 VanDerWaalsContact CG2-O 3.31Å; I660-S662 WeakPolarHBondContact CG2-O 3.31Å; I660-L676 HydrophobicContact CD1-CB 3.76Å; I660-L676 HydrophobicContact CD1-CD2 3.88Å; I660-L676 HydrophobicContact CD1-CG 4.3Å; I660-L676 HydrophobicContact CG1-CB 4.49Å; I660-L676 HydrophobicContact CG1-CD2 4.48Å; I660-L676 HydrophobicContact CG2-CB 4.44Å; I660-K677 WeakPolarHBondContact CB-O 3.24Å; I660-K677 WeakPolarHBondContact CD1-O 3.44Å; I660-G679 PolarHBondContact O-N 2.83Å; I660-E680 HydrophobicContact CD1-CB 3.93Å; I660-E680 HydrophobicContact CD1-CG 4.5Å; I660-E680 WeakPolarHBondContact CD1-O 3.39Å; I660-E680 PolarHBondContact N-O 2.73Å; I660-E680 VanDerWaalsContact N-O 3.17Å; I660-L682 HydrophobicContact CD1-CD1 3.63Å; I660-L682 HydrophobicContact CD1-CD2 4.32Å; I660-L682 HydrophobicContact CD1-CG 3.8Å; I660-L682 HydrophobicContact CG1-CD1 3.93Å; I660-L682 HydrophobicContact CG1-CG 4.25Å; I660-V710 HydrophobicContact CG1-CG1 4.22Å
661I70.4Confident73.1Confident98 Ų9880.2 Ų80.250%0.50342%0.421SS..  trans-68.5-48.9-174.3-41.6166.9000111T659 H709 V711T659-I661 PolarHBondContact O-N 3.07Å; I661-H709 PolarHBondContact N-O 3.03Å; I661-H709 VanDerWaalsContact N-O 3.17Å; I661-V711 HydrophobicContact CD1-CB 4.37Å; I661-V711 HydrophobicContact CD1-CG2 3.73Å; I661-V711 HydrophobicContact CG1-CB 3.95Å; I661-V711 HydrophobicContact CG1-CG2 3.76Å
662S66.4Low73Confident58 Ų5878.6 Ų78.641%0.40641%0.411SS..SBendtrans-117.5146-167.2-80.70000112.6I660 L664I660-S662 VanDerWaalsContact CG2-O 3.31Å; I660-S662 WeakPolarHBondContact CG2-O 3.31Å; S662-L664 VanDerWaalsContact C-N 3.3Å; S662-L664 PolarHBondContact O-N 2.9Å
663P59Low72.9Confident95 Ų9580.2 Ų80.262%0.61742%0.42SS*.  trans-7285.2174.629.1-33.1000110.1N665 A678P663-N665 PolarHBondContact O-N 2.63Å; P663-A678 HydrophobicContact CB-CB 3.86Å; P663-A678 HydrophobicContact CG-CB 4.39Å
664L59Low73Confident31 Ų3174.9 Ų74.916%0.16240%0.395CS..  trans-65.997.4178.2-119.365.7000110.7S662 N666 W669 L676 H709S662-L664 VanDerWaalsContact C-N 3.3Å; S662-L664 PolarHBondContact O-N 2.9Å; L664-N666 PolarHBondContact O-N 2.63Å; L664-W669 WeakPolarHBondContact O-CZ2 3.13Å; L664-L676 HydrophobicContact CB-CD1 4.39Å; L664-L676 HydrophobicContact CD2-CD1 4.21Å; L664-H709 HydrophobicContact CD1-CB 4.19Å; L664-H709 WeakPolarHBondContact CD1-CD2 3.49Å; L664-H709 HydrophobicContact CD2-CB 4.06Å
665N54.4Low72.6Confident149 Ų14973.9 Ų73.980%0.79739%0.391SS*.  trans-76.337.6-179.267.65.5000112.6P663 K667P663-N665 PolarHBondContact O-N 2.63Å; N665-K667 PolarHBondContact O-N 3.39Å
666N57.1Low72.3Confident66 Ų6671.2 Ų71.235%0.35338%0.377SS..  trans-53.995.5-177.8-87-11.3000110.6L664 K668 W669L664-N666 PolarHBondContact O-N 2.63Å; N666-K668 PolarHBondContact O-N 2.94Å; N666-W669 HydrophobicContact CB-CD2 4.04Å; N666-W669 HydrophobicContact CB-CE3 4.08Å; N666-W669 HydrophobicContact CB-CH2 3.78Å; N666-W669 HydrophobicContact CB-CZ2 3.77Å; N666-W669 HydrophobicContact CB-CZ3 3.95Å; N666-W669 PolarHBondContact O-NE1 2.87Å
667K55.4Low71.9Confident209 Ų20973.5 Ų73.591%0.90939%0.388SS*.SBendtrans-68.8-5.9-175-163.2169.9-179.7177.10113.1N665N665-K667 PolarHBondContact O-N 3.39Å
668K56.6Low71.5Confident193 Ų19373.3 Ų73.384%0.83940%0.396SS*.SBendtrans-139.696.5170.3-67.8-177.2178.1-179.10108.7N666N666-K668 PolarHBondContact O-N 2.94Å
669W69.2Low71.1Confident93 Ų9375.7 Ų75.735%0.35242%0.421SS..  trans-75127.9162.6-57.799.5000108.3L664 N666 D673 L674 P675 L676L664-W669 WeakPolarHBondContact O-CZ2 3.13Å; N666-W669 HydrophobicContact CB-CD2 4.04Å; N666-W669 HydrophobicContact CB-CE3 4.08Å; N666-W669 HydrophobicContact CB-CH2 3.78Å; N666-W669 HydrophobicContact CB-CZ2 3.77Å; N666-W669 HydrophobicContact CB-CZ3 3.95Å; N666-W669 PolarHBondContact O-NE1 2.87Å; W669-D673 HydrophobicContact CE3-CB 4.16Å; W669-L674 WeakPolarHBondContact CZ3-O 3.41Å; W669-P675 HydrophobicContact CD2-CB 4.36Å; W669-L676 HydrophobicContact CH2-CB 3.76Å; W669-L676 HydrophobicContact CH2-CD1 4.26Å; W669-L676 HydrophobicContact CH2-CG 3.73Å; W669-L676 VanDerWaalsContact CH2-N 3.26Å; W669-L676 HydrophobicContact CZ3-CB 4.33Å; W669-L676 HydrophobicContact CZ3-CD1 4.27Å; W669-L676 HydrophobicContact CZ3-CG 3.79Å
670S64.7Low71.1Confident71 Ų7175.2 Ų75.250%0.49742%0.417SS..  trans-68.6159170.2-168.40000110.3K672 D673S670-K672 PolarHBondContact O-N 2.84Å; S670-D673 WeakPolarHBondContact CA-OD2 3.47Å; S670-D673 WeakPolarHBondContact CB-OD1 3.41Å; S670-D673 WeakPolarHBondContact CB-OD2 3.3Å; S670-D673 PolarHBondContact N-OD2 2.85Å; S670-D673 PolarHBondContact O-N 2.92Å
671G68.7Low71.3Confident60 Ų6079.5 Ų79.562%0.61944%0.435SS*.THydrogen-bonded Turntrans-63.2-2.7177.400000115.1K645K645-G671 WeakPolarHBondContact CE-O 3.49Å; K645-G671 PolarHBondContact NZ-O 3.07Å; K645-G671 VanDerWaalsContact NZ-O 3.07Å
672K78Confident72.2Confident97 Ų9774.9 Ų74.942%0.42241%0.412SS..THydrogen-bonded Turntrans-117.9-0.6174.6-57-168.2-176.7-165.70113.9F646 S670 G703 Y704F646-K672 HydrophobicContact CZ-CB 4.12Å; S670-K672 PolarHBondContact O-N 2.84Å; K672-G703 CarbonylContact O-C 3.54Å; K672-G703 VanDerWaalsContact O-CA 3.24Å; K672-G703 WeakPolarHBondContact O-CA 3.42Å; K672-Y704 HydrophobicContact CB-CD2 3.88Å; K672-Y704 HydrophobicContact CB-CE2 4.11Å; K672-Y704 HydrophobicContact CD-CE2 4.18Å; K672-Y704 PolarHBondContact O-N 3.47Å
673D83.8Confident73.4Confident55 Ų5573.9 Ų73.929%0.29440%0.402SS..BIsolated β-bridgetrans-90.9147-177.2-55.9-15.5000110.2W669 S670W669-D673 HydrophobicContact CE3-CB 4.16Å; S670-D673 WeakPolarHBondContact CA-OD2 3.47Å; S670-D673 WeakPolarHBondContact CB-OD1 3.41Å; S670-D673 WeakPolarHBondContact CB-OD2 3.3Å; S670-D673 PolarHBondContact N-OD2 2.85Å; S670-D673 PolarHBondContact O-N 2.92Å
674L84.2Confident74.9Confident2 Ų269.4 Ų69.41%0.0137%0.373CS..  trans-84.7126.6175.4-168.268.8000109.3W669 L676 L682 C695 N697 K701 Y704 V705W669-L674 WeakPolarHBondContact CZ3-O 3.41Å; L674-L676 HydrophobicContact CB-CD2 4.22Å; L674-L676 HydrophobicContact CD2-CD2 4.43Å; L674-L676 HydrophobicContact CG-CD2 4.47Å; L674-L676 VanDerWaalsContact O-CD2 3.29Å; L674-L676 WeakPolarHBondContact O-CD2 3.42Å; L674-L676 WeakPolarHBondContact O-CG 3.32Å; L674-L676 PolarHBondContact O-N 2.61Å; L674-L676 VanDerWaalsContact O-N 3.12Å; L674-L682 HydrophobicContact CD2-CD1 3.85Å; L674-L682 HydrophobicContact CD2-CD2 3.7Å; L674-L682 HydrophobicContact CD2-CG 4.41Å; L674-C695 HydrophobicContact CD2-CB 4.09Å; L674-N697 HydrophobicContact CD2-CB 4.24Å; L674-K701 HydrophobicContact CD1-CB 3.78Å; L674-K701 WeakPolarHBondContact CD1-O 2.94Å; L674-Y704 PolarHBondContact N-O 3.01Å; L674-Y704 VanDerWaalsContact N-O 3.08Å; L674-V705 HydrophobicContact CB-CG2 3.96Å; L674-V705 HydrophobicContact CD2-CG2 4.01Å
675P79.3Confident76.3Confident53 Ų5368.1 Ų68.134%0.34437%0.366SS..  trans-70.3109.1176.727.7-33.5000110.7W669W669-P675 HydrophobicContact CD2-CB 4.36Å
676L79.6Confident77.9Confident18 Ų1863.3 Ų63.39%0.09434%0.342CS..  trans-86.7150.8-174-46.4177.4000112.2I660 L664 W669 L674 L682 V705I660-L676 HydrophobicContact CD1-CB 3.76Å; I660-L676 HydrophobicContact CD1-CD2 3.88Å; I660-L676 HydrophobicContact CD1-CG 4.3Å; I660-L676 HydrophobicContact CG1-CB 4.49Å; I660-L676 HydrophobicContact CG1-CD2 4.48Å; I660-L676 HydrophobicContact CG2-CB 4.44Å; L664-L676 HydrophobicContact CB-CD1 4.39Å; L664-L676 HydrophobicContact CD2-CD1 4.21Å; W669-L676 HydrophobicContact CH2-CB 3.76Å; W669-L676 HydrophobicContact CH2-CD1 4.26Å; W669-L676 HydrophobicContact CH2-CG 3.73Å; W669-L676 VanDerWaalsContact CH2-N 3.26Å; W669-L676 HydrophobicContact CZ3-CB 4.33Å; W669-L676 HydrophobicContact CZ3-CD1 4.27Å; W669-L676 HydrophobicContact CZ3-CG 3.79Å; L674-L676 HydrophobicContact CB-CD2 4.22Å; L674-L676 HydrophobicContact CD2-CD2 4.43Å; L674-L676 HydrophobicContact CG-CD2 4.47Å; L674-L676 VanDerWaalsContact O-CD2 3.29Å; L674-L676 WeakPolarHBondContact O-CD2 3.42Å; L674-L676 WeakPolarHBondContact O-CG 3.32Å; L674-L676 PolarHBondContact O-N 2.61Å; L674-L676 VanDerWaalsContact O-N 3.12Å; L676-L682 HydrophobicContact CD2-CD1 3.88Å; L676-V705 HydrophobicContact CD1-CG1 4.07Å; L676-V705 HydrophobicContact CD2-CB 4.46Å; L676-V705 HydrophobicContact CD2-CG1 3.95Å; L676-V705 HydrophobicContact CD2-CG2 3.79Å
677K77.1Confident79.2Confident107 Ų10767.3 Ų67.347%0.46536%0.356SS..  trans-128.6147165.3-51.8177.8-148.980.40109.2I660 G679 E680I660-K677 WeakPolarHBondContact CB-O 3.24Å; I660-K677 WeakPolarHBondContact CD1-O 3.44Å; K677-G679 PolarHBondContact O-N 3.09Å; K677-E680 HydrophobicContact CB-CB 4.13Å; K677-E680 WeakPolarHBondContact CB-OE2 3.34Å; K677-E680 WeakPolarHBondContact CD-OE2 3.49Å; K677-E680 WeakPolarHBondContact CG-OE2 3.21Å; K677-E680 PolarHBondContact N-OE2 2.92Å; K677-E680 IonicContact NZ-OE1 2.71Å; K677-E680 PolarHBondContact NZ-OE1 3.05Å; K677-E680 VanDerWaalsContact NZ-OE1 3.16Å; K677-E680 IonicContact NZ-OE2 3.97Å; K677-E680 PolarHBondContact NZ-OE2 3.39Å; K677-E680 WeakPolarHBondContact O-CB 3.46Å; K677-E680 PolarHBondContact O-N 2.67Å; K677-E680 VanDerWaalsContact O-N 3.13Å
678A80.6Confident80.6Confident53 Ų5359.7 Ų59.744%0.43833%0.332SS..THydrogen-bonded Turntrans-58.3136.1173.800000111.1P663 E680P663-A678 HydrophobicContact CB-CB 3.86Å; P663-A678 HydrophobicContact CG-CB 4.39Å; A678-E680 PolarHBondContact O-N 3.36Å
679G79.7Confident81.5Confident53 Ų5357.2 Ų57.255%0.54632%0.323SS..THydrogen-bonded Turntrans69.64.4-177.700000115.2I660 K677I660-G679 PolarHBondContact O-N 2.83Å; K677-G679 PolarHBondContact O-N 3.09Å
680E86.3Confident81.8Confident18 Ų1858.9 Ų58.98%0.08434%0.339CS..  trans-73.4128.6169.9-178.2167.1-174.800109.2I660 K677 A678 L682 N697I660-E680 HydrophobicContact CD1-CB 3.93Å; I660-E680 HydrophobicContact CD1-CG 4.5Å; I660-E680 WeakPolarHBondContact CD1-O 3.39Å; I660-E680 PolarHBondContact N-O 2.73Å; I660-E680 VanDerWaalsContact N-O 3.17Å; K677-E680 HydrophobicContact CB-CB 4.13Å; K677-E680 WeakPolarHBondContact CB-OE2 3.34Å; K677-E680 WeakPolarHBondContact CD-OE2 3.49Å; K677-E680 WeakPolarHBondContact CG-OE2 3.21Å; K677-E680 PolarHBondContact N-OE2 2.92Å; K677-E680 IonicContact NZ-OE1 2.71Å; K677-E680 PolarHBondContact NZ-OE1 3.05Å; K677-E680 VanDerWaalsContact NZ-OE1 3.16Å; K677-E680 IonicContact NZ-OE2 3.97Å; K677-E680 PolarHBondContact NZ-OE2 3.39Å; K677-E680 WeakPolarHBondContact O-CB 3.46Å; K677-E680 PolarHBondContact O-N 2.67Å; K677-E680 VanDerWaalsContact O-N 3.13Å; A678-E680 PolarHBondContact O-N 3.36Å; E680-L682 HydrophobicContact CG-CD2 4.16Å; E680-N697 WeakPolarHBondContact OE1-CB 3.34Å; E680-N697 PolarHBondContact OE1-ND2 3.38Å
681K88.4Confident82.6Confident90 Ų9058.7 Ų58.739%0.39133%0.333SS..EExtended strand (participates in β ladder)trans-84.8133.9175.2-71.3-171.6173-65.90109.7Q657 V658 T659 D713Q657-K681 HydrophobicContact CG-CB 4.27Å; V658-K681 WeakPolarHBondContact O-CA 3.32Å; T659-K681 PolarHBondContact OG1-NZ 3.34Å; K681-D713 IonicContact NZ-OD1 2.68Å; K681-D713 PolarHBondContact NZ-OD1 3.11Å; K681-D713 IonicContact NZ-OD2 3.16Å; K681-D713 PolarHBondContact NZ-OD2 3.31Å
682L89.6Confident83.4Confident1 Ų161.4 Ų61.41%0.00533%0.328CS..EExtended strand (participates in β ladder)trans-124.6135.7-176.6-63.1-173.4000111.1Q657 V658 I660 L674 L676 E680 C695 R696 N697 V705Q657-L682 WeakPolarHBondContact CA-O 3.38Å; V658-L682 HydrophobicContact CG2-CB 3.96Å; V658-L682 PolarHBondContact N-O 3.08Å; V658-L682 PolarHBondContact O-N 2.91Å; I660-L682 HydrophobicContact CD1-CD1 3.63Å; I660-L682 HydrophobicContact CD1-CD2 4.32Å; I660-L682 HydrophobicContact CD1-CG 3.8Å; I660-L682 HydrophobicContact CG1-CD1 3.93Å; I660-L682 HydrophobicContact CG1-CG 4.25Å; L674-L682 HydrophobicContact CD2-CD1 3.85Å; L674-L682 HydrophobicContact CD2-CD2 3.7Å; L674-L682 HydrophobicContact CD2-CG 4.41Å; L676-L682 HydrophobicContact CD2-CD1 3.88Å; E680-L682 HydrophobicContact CG-CD2 4.16Å; L682-C695 HydrophobicContact CB-CB 3.97Å; L682-C695 HydrophobicContact CD1-CB 3.9Å; L682-R696 WeakPolarHBondContact CA-O 3.36Å; L682-N697 HydrophobicContact CD2-CB 3.48Å; L682-N697 VanDerWaalsContact CD2-CB 3.48Å; L682-V705 HydrophobicContact CD1-CG1 4.27Å; L682-V705 HydrophobicContact CD1-CG2 3.91Å
683D91.1Very high83.8Confident38 Ų3856.9 Ų56.920%0.20331%0.308CS..EExtended strand (participates in β ladder)trans-86.9116.6174.9-68.4-18.1000108.6V654 Q657 C695 R696V654-D683 HydrophobicContact CB-CB 4.38Å; V654-D683 HydrophobicContact CG1-CB 3.64Å; V654-D683 HydrophobicContact CG2-CB 3.82Å; Q657-D683 PolarHBondContact NE2-OD1 3.18Å; D683-C695 CarbonylContact O-C 3.52Å; D683-C695 WeakPolarHBondContact O-CA 3.4Å; D683-R696 HydrophobicContact CB-CB 4.28Å; D683-R696 PolarHBondContact N-O 3.14Å; D683-R696 PolarHBondContact O-N 3.05Å
684V89.8Confident84Confident0 Ų054.6 Ų54.60%030%0.296CS..EExtended strand (participates in β ladder)trans-79.7127.1-179.9-173.30000109.7L655 Y656 V658 M693L655-V684 PolarHBondContact N-O 2.94Å; Y656-V684 HydrophobicContact CD1-CB 4.04Å; Y656-V684 HydrophobicContact CD1-CG1 4.33Å; Y656-V684 HydrophobicContact CD1-CG2 4.39Å; Y656-V684 HydrophobicContact CD2-CG2 3.98Å; Y656-V684 HydrophobicContact CE1-CB 3.89Å; Y656-V684 HydrophobicContact CE1-CG1 3.71Å; Y656-V684 HydrophobicContact CE1-CG2 4.18Å; Y656-V684 HydrophobicContact CE2-CB 4.4Å; Y656-V684 HydrophobicContact CE2-CG2 3.79Å; Y656-V684 HydrophobicContact CG-CB 4.32Å; Y656-V684 HydrophobicContact CG-CG2 4.28Å; Y656-V684 PolarHBondContact O-N 2.92Å; V658-V684 HydrophobicContact CB-CG2 4.4Å; V658-V684 HydrophobicContact CG1-CG2 3.75Å; V658-V684 HydrophobicContact CG2-CG2 3.81Å; V684-M693 HydrophobicContact CG1-CB 4.28Å; V684-M693 HydrophobicContact CG1-SD 4.1Å; V684-M693 HydrophobicContact CG2-SD 3.91Å
685I89.6Confident84.3Confident4 Ų454.5 Ų54.52%0.02130%0.295CS..EExtended strand (participates in β ladder)trans-109.2-38.2-173.6-53.4-56.4000111.4F642 I652 Q653 V654 L655 V694 R696 F702F642-I685 HydrophobicContact CE1-CG2 4.46Å; I652-I685 HydrophobicContact CG2-CD1 3.92Å; I652-I685 HydrophobicContact CG2-CG1 4.39Å; I652-I685 HydrophobicContact CG2-CG2 3.83Å; Q653-I685 WeakPolarHBondContact O-CD1 3.39Å; V654-I685 HydrophobicContact CG2-CD1 3.97Å; L655-I685 WeakPolarHBondContact CD1-O 3.45Å; I685-V694 HydrophobicContact CB-CG1 4.48Å; I685-V694 PolarHBondContact N-O 3.28Å; I685-R696 HydrophobicContact CD1-CB 3.98Å; I685-R696 HydrophobicContact CG1-CB 3.81Å; I685-F702 HydrophobicContact CD1-CE1 4.4Å; I685-F702 HydrophobicContact CG1-CD1 4.11Å; I685-F702 HydrophobicContact CG1-CE1 3.96Å
686V88.2Confident84.9Confident48 Ų4853.8 Ų53.829%0.29129%0.286SS..EExtended strand (participates in β ladder)trans-125.4128.6174.3-172.40000107.3F642 Y648 M693 V694F642-V686 HydrophobicContact CZ-CG2 4.36Å; Y648-V686 HydrophobicContact CD2-CG2 3.99Å; Y648-V686 HydrophobicContact CE2-CG2 3.67Å; V686-M693 WeakPolarHBondContact O-CB 3.45Å; V686-V694 HydrophobicContact CB-CB 3.82Å; V686-V694 HydrophobicContact CB-CG2 3.95Å; V686-V694 HydrophobicContact CG2-CB 3.84Å; V686-V694 HydrophobicContact CG2-CG2 3.95Å; V686-V694 PolarHBondContact N-O 2.83Å; V686-V694 PolarHBondContact O-N 3.18Å
687K83.9Confident85.3Confident151 Ų15153 Ų5366%0.65728%0.282SS*.EExtended strand (participates in β ladder)trans-52.8154.3176.1-64.7-171.7177.7-175.80110.8L655 Q689L655-K687 HydrophobicContact CD1-CG 3.7Å; K687-Q689 PolarHBondContact O-N 2.88Å
688A85.1Confident85.7Confident48 Ų4854.1 Ų54.140%0.39729%0.288SS..EExtended strand (participates in β ladder)trans-60.3128.5178.400000111.7M693 T707A688-M693 HydrophobicContact CB-CB 4.12Å; A688-T707 HydrophobicContact CB-CG2 3.5Å
689Q74.6Confident85.6Confident141 Ų14155.4 Ų55.466%0.65929%0.285SS*.EExtended strand (participates in β ladder)trans-127.7127.6168.6-157.9-161.7-68.700107K687 D691 K692K687-Q689 PolarHBondContact O-N 2.88Å; Q689-D691 PolarHBondContact O-N 2.79Å; Q689-K692 PolarHBondContact N-O 2.99Å; Q689-K692 CarbonylContact O-C 3.59Å; Q689-K692 WeakPolarHBondContact O-CA 3.48Å; Q689-K692 PolarHBondContact O-N 2.91Å
690D76.5Confident85.7Confident129 Ų12952.9 Ų52.969%0.6926%0.259SS*.THydrogen-bonded Turntrans56.550.2176.4-45.2-51.6000113.8K692D690-K692 PolarHBondContact O-N 3.24Å; D690-K692 VanDerWaalsContact O-N 3.14Å
691D81.1Confident85.7Confident66 Ų6655.6 Ų55.635%0.35327%0.271SS..THydrogen-bonded Turntrans57.58.5-168.5-179.765.5000114.9Q689 S706 T707 S708Q689-D691 PolarHBondContact O-N 2.79Å; D691-S706 CarbonylContact O-C 3.54Å; D691-S706 WeakPolarHBondContact O-CA 3.44Å; D691-S706 WeakPolarHBondContact OD2-CB 3.35Å; D691-S706 PolarHBondContact OD2-OG 3Å; D691-T707 WeakPolarHBondContact CA-OG1 3.24Å; D691-T707 PolarHBondContact O-N 2.89Å; D691-T707 PolarHBondContact O-OG1 2.87Å; D691-T707 VanDerWaalsContact O-OG1 3.05Å; D691-T707 PolarHBondContact OD1-N 2.91Å; D691-T707 PolarHBondContact OD1-OG1 3.28Å; D691-S708 PolarHBondContact OD1-N 3.17Å; D691-S708 VanDerWaalsContact OD1-N 3.09Å; D691-S708 PolarHBondContact OD1-OG 3.17Å
692K84.3Confident85.7Confident118 Ų11852.3 Ų52.351%0.51326%0.257SS..EExtended strand (participates in β ladder)trans-123.2118.3-175.5-68.8164.1-170.2158.60112Q689 D690 Y704 V705Q689-K692 PolarHBondContact N-O 2.99Å; Q689-K692 CarbonylContact O-C 3.59Å; Q689-K692 WeakPolarHBondContact O-CA 3.48Å; Q689-K692 PolarHBondContact O-N 2.91Å; D690-K692 PolarHBondContact O-N 3.24Å; D690-K692 VanDerWaalsContact O-N 3.14Å; K692-Y704 HydrophobicContact CB-CD1 4.1Å; K692-V705 WeakPolarHBondContact CA-O 3.45Å
693M87.7Confident85.7Confident1 Ų152.2 Ų52.21%0.00526%0.256CS..EExtended strand (participates in β ladder)trans-101.7158.5168.451.2177.9-178.900110.1V658 V684 V686 A688 Y704 V705 T707 V710V658-M693 HydrophobicContact CG2-CE 4.09Å; V684-M693 HydrophobicContact CG1-CB 4.28Å; V684-M693 HydrophobicContact CG1-SD 4.1Å; V684-M693 HydrophobicContact CG2-SD 3.91Å; V686-M693 WeakPolarHBondContact O-CB 3.45Å; A688-M693 HydrophobicContact CB-CB 4.12Å; M693-Y704 WeakPolarHBondContact O-CA 3.31Å; M693-V705 HydrophobicContact CE-CB 3.97Å; M693-V705 HydrophobicContact CE-CG1 3.74Å; M693-V705 HydrophobicContact CG-CB 4.29Å; M693-V705 WeakPolarHBondContact CG-O 3.48Å; M693-V705 PolarHBondContact N-O 3.37Å; M693-V705 PolarHBondContact O-N 3.24Å; M693-T707 HydrophobicContact CG-CG2 4.42Å; M693-T707 HydrophobicContact SD-CG2 4.2Å; M693-V710 HydrophobicContact CE-CB 4.11Å; M693-V710 HydrophobicContact CE-CG1 3.71Å; M693-V710 HydrophobicContact CE-CG2 3.38Å
694V88.6Confident85.5Confident7 Ų754.3 Ų54.34%0.04226%0.262CS..EExtended strand (participates in β ladder)trans-95.6122.7166.7179.20000108.2F642 F646 I685 V686 Y704F642-V694 HydrophobicContact CD2-CG1 4.21Å; F642-V694 HydrophobicContact CE2-CB 4.41Å; F642-V694 HydrophobicContact CE2-CG1 3.44Å; F642-V694 VanDerWaalsContact CE2-CG1 3.44Å; F642-V694 HydrophobicContact CE2-CG2 4.3Å; F642-V694 HydrophobicContact CZ-CG1 3.91Å; F646-V694 HydrophobicContact CD1-CG2 3.95Å; F646-V694 HydrophobicContact CE1-CG2 3.93Å; I685-V694 HydrophobicContact CB-CG1 4.48Å; I685-V694 PolarHBondContact N-O 3.28Å; V686-V694 HydrophobicContact CB-CB 3.82Å; V686-V694 HydrophobicContact CB-CG2 3.95Å; V686-V694 HydrophobicContact CG2-CB 3.84Å; V686-V694 HydrophobicContact CG2-CG2 3.95Å; V686-V694 PolarHBondContact N-O 2.83Å; V686-V694 PolarHBondContact O-N 3.18Å; V694-Y704 HydrophobicContact CG2-CD1 4.06Å; V694-Y704 HydrophobicContact CG2-CE1 3.83Å
695C90.2Very high85.4Confident0 Ų054.5 Ų54.50%026%0.263CS..EExtended strand (participates in β ladder)trans-117.2161.8174-54.70000112L674 L682 D683 F702 G703 V705L674-C695 HydrophobicContact CD2-CB 4.09Å; L682-C695 HydrophobicContact CB-CB 3.97Å; L682-C695 HydrophobicContact CD1-CB 3.9Å; D683-C695 CarbonylContact O-C 3.52Å; D683-C695 WeakPolarHBondContact O-CA 3.4Å; C695-F702 WeakPolarHBondContact O-CA 3.36Å; C695-G703 PolarHBondContact N-O 3.39Å; C695-G703 PolarHBondContact O-N 3.13Å; C695-G703 VanDerWaalsContact O-N 3.07Å; C695-V705 HydrophobicContact CB-CB 4.45Å; C695-V705 HydrophobicContact CB-CG2 3.65Å
696R90.8Very high85.1Confident38 Ų3855.6 Ų55.614%0.14327%0.271CS..EExtended strand (participates in β ladder)trans-120.5134.2174.3173.8-174.2176.4156.7-2.1109.2F635 L682 D683 I685 K701 F702F635-R696 VanDerWaalsContact CG-NH2 3.31Å; L682-R696 WeakPolarHBondContact CA-O 3.36Å; D683-R696 HydrophobicContact CB-CB 4.28Å; D683-R696 PolarHBondContact N-O 3.14Å; D683-R696 PolarHBondContact O-N 3.05Å; I685-R696 HydrophobicContact CD1-CB 3.98Å; I685-R696 HydrophobicContact CG1-CB 3.81Å; R696-K701 VanDerWaalsContact CA-O 3.26Å; R696-K701 WeakPolarHBondContact CA-O 3.45Å; R696-F702 HydrophobicContact CB-CD1 3.93Å; R696-F702 HydrophobicContact CB-CE1 3.89Å; R696-F702 HydrophobicContact CG-CD1 4.35Å; R696-F702 HydrophobicContact CG-CE1 4Å; R696-F702 HydrophobicContact CG-CZ 4.15Å
697N89.1Confident84.8Confident3 Ų355.5 Ų55.52%0.01627%0.271CS..  trans-95.2175.4175.580.7-24000113.2L674 E680 L682 E699 G700 K701L674-N697 HydrophobicContact CD2-CB 4.24Å; E680-N697 WeakPolarHBondContact OE1-CB 3.34Å; E680-N697 PolarHBondContact OE1-ND2 3.38Å; L682-N697 HydrophobicContact CD2-CB 3.48Å; L682-N697 VanDerWaalsContact CD2-CB 3.48Å; N697-E699 PolarHBondContact ND2-OE2 2.63Å; N697-E699 PolarHBondContact O-N 3.12Å; N697-E699 WeakPolarHBondContact OD1-CB 3.36Å; N697-E699 PolarHBondContact OD1-N 3.46Å; N697-G700 WeakPolarHBondContact O-CA 3.29Å; N697-G700 PolarHBondContact O-N 2.96Å; N697-G700 PolarHBondContact OD1-N 3.16Å; N697-K701 PolarHBondContact N-O 2.68Å; N697-K701 VanDerWaalsContact N-O 3.14Å; N697-K701 PolarHBondContact OD1-N 2.8Å
698E84.7Confident84.5Confident129 Ų12952.4 Ų52.460%0.60327%0.268SS*.THydrogen-bonded Turntrans-64.9-16.817860.9144.1-163.100114.7G700E698-G700 VanDerWaalsContact C-N 3.28Å
699E79Confident84Confident80 Ų8053 Ų5337%0.37426%0.263SS..THydrogen-bonded Turntrans-78.7-14.6169.1-54.5-174.3122.800112.6N697 K701N697-E699 PolarHBondContact ND2-OE2 2.63Å; N697-E699 PolarHBondContact O-N 3.12Å; N697-E699 WeakPolarHBondContact OD1-CB 3.36Å; N697-E699 PolarHBondContact OD1-N 3.46Å; E699-K701 IonicContact OE1-NZ 3.37Å; E699-K701 WeakPolarHBondContact OE2-CE 3.45Å; E699-K701 IonicContact OE2-NZ 3.05Å; E699-K701 PolarHBondContact OE2-NZ 3.14Å
700G81.9Confident84.3Confident0 Ų047.4 Ų47.40%024%0.238CC..  trans85.211.5179.800000115.3E638 N697 E698 F702E638-G700 WeakPolarHBondContact CB-O 3.15Å; N697-G700 WeakPolarHBondContact O-CA 3.29Å; N697-G700 PolarHBondContact O-N 2.96Å; N697-G700 PolarHBondContact OD1-N 3.16Å; E698-G700 VanDerWaalsContact C-N 3.28Å; G700-F702 WeakPolarHBondContact O-CD2 3.18Å; G700-F702 VanDerWaalsContact O-CE2 3.31Å; G700-F702 WeakPolarHBondContact O-CE2 3.34Å
701K86.1Confident84.2Confident75 Ų7544.1 Ų44.133%0.32622%0.222SC..  trans-73.7148.4171.8-66.1167-178.3158.90109.4L674 R696 N697 E699L674-K701 HydrophobicContact CD1-CB 3.78Å; L674-K701 WeakPolarHBondContact CD1-O 2.94Å; R696-K701 VanDerWaalsContact CA-O 3.26Å; R696-K701 WeakPolarHBondContact CA-O 3.45Å; N697-K701 PolarHBondContact N-O 2.68Å; N697-K701 VanDerWaalsContact N-O 3.14Å; N697-K701 PolarHBondContact OD1-N 2.8Å; E699-K701 IonicContact OE1-NZ 3.37Å; E699-K701 WeakPolarHBondContact OE2-CE 3.45Å; E699-K701 IonicContact OE2-NZ 3.05Å; E699-K701 PolarHBondContact OE2-NZ 3.14Å
702F88Confident83.7Confident21 Ų2144 Ų449%0.09222%0.222CC..EExtended strand (participates in β ladder)trans-113.3143.6175.1-59.9-99.5000110.5E638 E639 F642 I652 I685 C695 R696 G700E638-F702 HydrophobicContact CB-CD2 4.17Å; E638-F702 HydrophobicContact CB-CE2 4.16Å; E639-F702 HydrophobicContact CB-CE2 4.08Å; E639-F702 HydrophobicContact CB-CZ 4.28Å; F642-F702 HydrophobicContact CB-CB 3.84Å; F642-F702 HydrophobicContact CB-CD1 4.32Å; F642-F702 HydrophobicContact CB-CD2 3.72Å; F642-F702 HydrophobicContact CB-CE2 4.35Å; F642-F702 HydrophobicContact CB-CG 3.71Å; F642-F702 HydrophobicContact CD1-CD1 4.17Å; F642-F702 HydrophobicContact CD1-CE1 4.44Å; F642-F702 HydrophobicContact CD1-CG 4.39Å; F642-F702 HydrophobicContact CD2-CB 3.57Å; F642-F702 HydrophobicContact CD2-CD1 4.18Å; F642-F702 AromaticContact CD2-CG 3.98Å; F642-F702 HydrophobicContact CD2-CG 3.98Å; F642-F702 HydrophobicContact CE2-CB 4.43Å; F642-F702 HydrophobicContact CG-CB 3.82Å; F642-F702 AromaticContact CG-CD1 3.93Å; F642-F702 HydrophobicContact CG-CD1 3.93Å; F642-F702 HydrophobicContact CG-CD2 4.23Å; F642-F702 AromaticContact CG-CG 3.74Å; F642-F702 HydrophobicContact CG-CG 3.74Å; I652-F702 HydrophobicContact CD1-CE1 3.82Å; I652-F702 HydrophobicContact CD1-CZ 3.71Å; I652-F702 HydrophobicContact CG2-CE1 3.59Å; I652-F702 HydrophobicContact CG2-CZ 3.9Å; I685-F702 HydrophobicContact CD1-CE1 4.4Å; I685-F702 HydrophobicContact CG1-CD1 4.11Å; I685-F702 HydrophobicContact CG1-CE1 3.96Å; C695-F702 WeakPolarHBondContact O-CA 3.36Å; R696-F702 HydrophobicContact CB-CD1 3.93Å; R696-F702 HydrophobicContact CB-CE1 3.89Å; R696-F702 HydrophobicContact CG-CD1 4.35Å; R696-F702 HydrophobicContact CG-CE1 4Å; R696-F702 HydrophobicContact CG-CZ 4.15Å; G700-F702 WeakPolarHBondContact O-CD2 3.18Å; G700-F702 VanDerWaalsContact O-CE2 3.31Å; G700-F702 WeakPolarHBondContact O-CE2 3.34Å
703G88.6Confident82.7Confident0 Ų041.3 Ų41.30%021%0.213CC..EExtended strand (participates in β ladder)trans-173.1170.217400000113.3K672 C695K672-G703 CarbonylContact O-C 3.54Å; K672-G703 VanDerWaalsContact O-CA 3.24Å; K672-G703 WeakPolarHBondContact O-CA 3.42Å; C695-G703 PolarHBondContact N-O 3.39Å; C695-G703 PolarHBondContact O-N 3.13Å; C695-G703 VanDerWaalsContact O-N 3.07Å
704Y88.1Confident81.2Confident82 Ų8243.8 Ų43.832%0.32224%0.239SC..EExtended strand (participates in β ladder)trans-69.3142.3173.2-71.5-63.3000111.9F646 K672 L674 K692 M693 V694F646-Y704 HydrophobicContact CD1-CE1 4.27Å; F646-Y704 AromaticContact CD1-CE2 4Å; F646-Y704 HydrophobicContact CD1-CE2 4Å; F646-Y704 AromaticContact CD1-CZ 3.72Å; F646-Y704 HydrophobicContact CE1-CD1 4.23Å; F646-Y704 AromaticContact CE1-CD2 3.73Å; F646-Y704 HydrophobicContact CE1-CD2 3.73Å; F646-Y704 AromaticContact CE1-CE1 3.9Å; F646-Y704 HydrophobicContact CE1-CE1 3.9Å; F646-Y704 AromaticContact CE1-CE2 3.36Å; F646-Y704 HydrophobicContact CE1-CE2 3.36Å; F646-Y704 HydrophobicContact CE1-CG 4.14Å; F646-Y704 AromaticContact CE1-CZ 3.45Å; F646-Y704 VanDerWaalsContact CE1-CZ 3.45Å; F646-Y704 HydrophobicContact CZ-CD2 4.25Å; F646-Y704 HydrophobicContact CZ-CE2 4.15Å; K672-Y704 HydrophobicContact CB-CD2 3.88Å; K672-Y704 HydrophobicContact CB-CE2 4.11Å; K672-Y704 HydrophobicContact CD-CE2 4.18Å; K672-Y704 PolarHBondContact O-N 3.47Å; L674-Y704 PolarHBondContact N-O 3.01Å; L674-Y704 VanDerWaalsContact N-O 3.08Å; K692-Y704 HydrophobicContact CB-CD1 4.1Å; M693-Y704 WeakPolarHBondContact O-CA 3.31Å; V694-Y704 HydrophobicContact CG2-CD1 4.06Å; V694-Y704 HydrophobicContact CG2-CE1 3.83Å
705V86.8Confident79.6Confident4 Ų452.1 Ų52.12%0.02428%0.277CS..EExtended strand (participates in β ladder)trans-136.9135.7175.3-173.40000107.8L674 L676 L682 K692 M693 C695 V710L674-V705 HydrophobicContact CB-CG2 3.96Å; L674-V705 HydrophobicContact CD2-CG2 4.01Å; L676-V705 HydrophobicContact CD1-CG1 4.07Å; L676-V705 HydrophobicContact CD2-CB 4.46Å; L676-V705 HydrophobicContact CD2-CG1 3.95Å; L676-V705 HydrophobicContact CD2-CG2 3.79Å; L682-V705 HydrophobicContact CD1-CG1 4.27Å; L682-V705 HydrophobicContact CD1-CG2 3.91Å; K692-V705 WeakPolarHBondContact CA-O 3.45Å; M693-V705 HydrophobicContact CE-CB 3.97Å; M693-V705 HydrophobicContact CE-CG1 3.74Å; M693-V705 HydrophobicContact CG-CB 4.29Å; M693-V705 WeakPolarHBondContact CG-O 3.48Å; M693-V705 PolarHBondContact N-O 3.37Å; M693-V705 PolarHBondContact O-N 3.24Å; C695-V705 HydrophobicContact CB-CB 4.45Å; C695-V705 HydrophobicContact CB-CG2 3.65Å; V705-V710 HydrophobicContact CG1-CG1 4.06Å
706S84.9Confident78Confident26 Ų2657.6 Ų57.618%0.18231%0.305CS..EExtended strand (participates in β ladder)trans-79.5132.6176.5158.60000110.4D691 S708 H709D691-S706 CarbonylContact O-C 3.54Å; D691-S706 WeakPolarHBondContact O-CA 3.44Å; D691-S706 WeakPolarHBondContact OD2-CB 3.35Å; D691-S706 PolarHBondContact OD2-OG 3Å; S706-S708 PolarHBondContact O-N 3.24Å; S706-S708 PolarHBondContact OG-N 2.77Å; S706-H709 WeakPolarHBondContact CB-ND1 3.21Å; S706-H709 PolarHBondContact O-N 2.83Å; S706-H709 PolarHBondContact OG-ND1 3.03Å
707T80.4Confident76.2Confident47 Ų4765 Ų6529%0.28834%0.335SS..G310 helixtrans-60.9-32177.521.30000112.7A688 D691 M693 H709 V710A688-T707 HydrophobicContact CB-CG2 3.5Å; D691-T707 WeakPolarHBondContact CA-OG1 3.24Å; D691-T707 PolarHBondContact O-N 2.89Å; D691-T707 PolarHBondContact O-OG1 2.87Å; D691-T707 VanDerWaalsContact O-OG1 3.05Å; D691-T707 PolarHBondContact OD1-N 2.91Å; D691-T707 PolarHBondContact OD1-OG1 3.28Å; M693-T707 HydrophobicContact CG-CG2 4.42Å; M693-T707 HydrophobicContact SD-CG2 4.2Å; T707-H709 PolarHBondContact O-N 3.43Å; T707-V710 WeakPolarHBondContact O-CG2 3.04Å; T707-V710 PolarHBondContact O-N 2.85Å
708S78.6Confident74.5Confident85 Ų8572.3 Ų72.359%0.59437%0.374SS*.G310 helixtrans-61.20.1178.7-58.50000115.8D691 S706D691-S708 PolarHBondContact OD1-N 3.17Å; D691-S708 VanDerWaalsContact OD1-N 3.09Å; D691-S708 PolarHBondContact OD1-OG 3.17Å; S706-S708 PolarHBondContact O-N 3.24Å; S706-S708 PolarHBondContact OG-N 2.77Å
709H73.5Confident73.1Confident62 Ų6274.2 Ų74.229%0.28739%0.388SS..G310 helixtrans-131.87.2-171.1-5899.1000114.6I661 L664 S706 T707I661-H709 PolarHBondContact N-O 3.03Å; I661-H709 VanDerWaalsContact N-O 3.17Å; L664-H709 HydrophobicContact CD1-CB 4.19Å; L664-H709 WeakPolarHBondContact CD1-CD2 3.49Å; L664-H709 HydrophobicContact CD2-CB 4.06Å; S706-H709 WeakPolarHBondContact CB-ND1 3.21Å; S706-H709 PolarHBondContact O-N 2.83Å; S706-H709 PolarHBondContact OG-ND1 3.03Å; T707-H709 PolarHBondContact O-N 3.43Å
710V81.1Confident71.7Confident22 Ų2278.2 Ų78.213%0.13341%0.41CS..EExtended strand (participates in β ladder)trans-122.8151.1179.4-68.90000111.4V658 T659 I660 M693 V705 T707V658-V710 HydrophobicContact CB-CB 4.08Å; V658-V710 HydrophobicContact CB-CG1 4.39Å; V658-V710 HydrophobicContact CB-CG2 4.47Å; V658-V710 HydrophobicContact CG2-CB 4.18Å; V658-V710 HydrophobicContact CG2-CG1 3.97Å; T659-V710 WeakPolarHBondContact O-CA 3.49Å; I660-V710 HydrophobicContact CG1-CG1 4.22Å; M693-V710 HydrophobicContact CE-CB 4.11Å; M693-V710 HydrophobicContact CE-CG1 3.71Å; M693-V710 HydrophobicContact CE-CG2 3.38Å; V705-V710 HydrophobicContact CG1-CG1 4.06Å; T707-V710 WeakPolarHBondContact O-CG2 3.04Å; T707-V710 PolarHBondContact O-N 2.85Å
711V75.1Confident70.5Confident61 Ų6181.8 Ų81.837%0.3745%0.447SS..EExtended strand (participates in β ladder)trans-107.4137.8163.1144.20000107.2V658 T659 I661V658-V711 CarbonylContact C-O 3.53Å; V658-V711 WeakPolarHBondContact CA-O 3.41Å; T659-V711 PolarHBondContact N-O 3.04Å; T659-V711 PolarHBondContact O-N 3.2Å; I661-V711 HydrophobicContact CD1-CB 4.37Å; I661-V711 HydrophobicContact CD1-CG2 3.73Å; I661-V711 HydrophobicContact CG1-CB 3.95Å; I661-V711 HydrophobicContact CG1-CG2 3.76Å
712D71.3Confident68.8Low64 Ų6481.6 Ų81.634%0.34247%0.466SS..EExtended strand (participates in β ladder)trans-78.1139.8165.5-164.912.2000109.1V658 G714V658-D712 HydrophobicContact CG1-CB 4.46Å; D712-G714 PolarHBondContact O-N 3.49Å
713D62.1Low67.2Low60 Ų6088.3 Ų88.332%0.32150%0.503SS..THydrogen-bonded Turntrans-68.83.5-173.3-77.4-16.4000113.4T659 K681T659-D713 PolarHBondContact OG1-OD1 3.06Å; K681-D713 IonicContact NZ-OD1 2.68Å; K681-D713 PolarHBondContact NZ-OD1 3.11Å; K681-D713 IonicContact NZ-OD2 3.16Å; K681-D713 PolarHBondContact NZ-OD2 3.31Å
714G56.7Low65.6Low54 Ų5495.1 Ų95.156%0.55754%0.54SS*.THydrogen-bonded Turntrans-89.4-32-177.200000116.3D712 I716D712-G714 PolarHBondContact O-N 3.49Å; G714-I716 PolarHBondContact O-N 2.89Å
715E54.8Low64.1Low182 Ų18297.6 Ų97.685%0.8557%0.567SS**THydrogen-bonded Turntrans-85.434.4-169.5-62.2-171.6159.900114.1
716I56.3Low62.6Low114 Ų114104 Ų10459%0.58560%0.6SS**THydrogen-bonded Turntrans-103.16-177.1-68.1174.9000112.2G714G714-I716 PolarHBondContact O-N 2.89Å
717Y52.6Low61.2Low194 Ų194113 Ų11376%0.76163%0.631SS**SBendtrans-133.876.1-176.9-67.6-82.8000113.1
718D54.3Low60.2Low156 Ų156118.2 Ų118.283%0.83466%0.658SS**SBendtrans-146.4-23.1160.5-132.93.2000113.1I720D718-I720 PolarHBondContact O-N 3.29Å
719D54.8Low58.9Low170 Ų170120.6 Ų120.691%0.90966%0.664SS**SBendtrans-87.830.9-178.3-80.2-37.7000115.8
720I50.2Low57.7Low163 Ų163128.6 Ų128.684%0.83671%0.709SS**SBendtrans-120.941.2168.7-38.3-178.1000110.5D718D718-I720 PolarHBondContact O-N 3.29Å
721G55.9Low56.6Low75 Ų75133.9 Ų133.977%0.77374%0.737SS**  trans-138.35.8179.600000115.3
722G51.1Low55.6Low71 Ų71137.7 Ų137.773%0.73276%0.757SS**SBendtrans-95.2122.3-179.600000113.5
723D54.6Low54.7Low163 Ų163141.8 Ų141.887%0.87278%0.78SS**SBendtrans23.794.2157.2-61.9-21.5000118.8
724D54.9Low54.3Low143 Ų143146.6 Ų146.677%0.76581%0.807SS**  -174.215.7126.5-112-14.4000114.6I726D724-I726 PolarHBondContact O-N 2.86Å
725C55.6Low54.1Low133 Ų133152.4 Ų152.490%0.89982%0.822SS**  trans-74.863.3172.2-64.70000112.4Y727C725-Y727 PolarHBondContact O-N 2.74Å
726I56.2Low54.1Low139 Ų139150.5 Ų150.571%0.71382%0.821SS**  trans-59.2121.8167.5-65.5-179.6000108.4D724 D728D724-I726 PolarHBondContact O-N 2.86Å; I726-D728 PolarHBondContact O-N 2.71Å
727Y56Low53.9Low214 Ų214153.1 Ų153.184%0.83984%0.837SS**  trans-7289.9171.4-113.6-100.8000109C725C725-Y727 PolarHBondContact O-N 2.74Å
728D59.5Low54Low158 Ų158149.9 Ų149.985%0.84584%0.843SS**  trans-82119.4164.1-151.86.4000107.9I726I726-D728 PolarHBondContact O-N 2.71Å
729N49.8Very low54Low134 Ų134149.4 Ų149.472%0.71784%0.844SS**  trans-13791.1-168.4-178.8110.6000109.7
730D49.5Very low53.9Low230 Ų230147.5 Ų147.5100%1.2384%0.838SS**  trans-142.40172.8-159.234.3000108.7

Retrieved 730 of 730 residues in 119.5 ms (Link to these results)