A0A061I508_CRIGR Loading...

Zinc finger CW-type PWWP domain protein 1

AlphaFold DB , UniProt , Accession A0A061I508, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Zcwpw1, Length 633 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
1M35.3Very low29.5Very low245 Ų245162.5 Ų162.5100%1.20784%0.838SS**  0115.70-66.3168.8178.900107.6
2M24Very low29.5Very low187 Ų187165.1 Ų165.192%0.92184%0.844SS**  trans-105.9132.8168.7-75-70.3-160.800107.2
3A30.1Very low30.1Very low97 Ų97166.2 Ų166.280%0.80284%0.839SS**  trans-89.2112.3175.200000109.5S5A3-S5 PolarHBondContact O-N 3.11Å
4T29.3Very low30.4Very low124 Ų124158.6 Ų158.676%0.76182%0.823SS**  trans-79.593.2173.9470000110Q6T4-Q6 PolarHBondContact O-N 3.07Å
5S29.8Very low31Very low120 Ų120157.2 Ų157.284%0.83983%0.825SS**  trans-64.1102.9170.3-57.30000110A3A3-S5 PolarHBondContact O-N 3.11Å
6Q32.5Very low32.3Very low178 Ų178156.7 Ų156.783%0.83281%0.814SS**  trans-74.8141.5171-73.4-173.5-21.200110.2T4 I8T4-Q6 PolarHBondContact O-N 3.07Å; Q6-I8 PolarHBondContact O-N 3.13Å; Q6-I8 VanDerWaalsContact O-N 3.17Å
7N26.6Very low33.8Very low140 Ų140152 Ų15275%0.74979%0.785SS**  trans-80.299.6-166.9-169.2-102.6000110.7K9N7-K9 PolarHBondContact O-N 3.3Å
8I33.4Very low35.5Very low146 Ų146149.2 Ų149.275%0.74978%0.776SS**  trans-70.9112.3163.1-60.9177.5000106.7Q6 E10Q6-I8 PolarHBondContact O-N 3.13Å; Q6-I8 VanDerWaalsContact O-N 3.17Å; I8-E10 HydrophobicContact CG2-CG 4.33Å; I8-E10 PolarHBondContact O-N 3.24Å; I8-E10 VanDerWaalsContact O-N 3.12Å
9K26.5Very low37Very low163 Ų163142.3 Ų142.371%0.70974%0.74SS**  trans-73.895.1163.8-75.4-174.1176.2-178.20108.2N7 Y11N7-K9 PolarHBondContact O-N 3.3Å; K9-Y11 PolarHBondContact O-N 2.95Å
10E27.9Very low37.6Very low179 Ų179137.8 Ų137.884%0.83672%0.724SS**  trans-62.6103.5160.2-69-178.5125.200107.7I8 E12I8-E10 HydrophobicContact CG2-CG 4.33Å; I8-E10 PolarHBondContact O-N 3.24Å; I8-E10 VanDerWaalsContact O-N 3.12Å; E10-E12 PolarHBondContact O-N 3.19Å
11Y29.1Very low37.6Very low208 Ų208132.8 Ų132.882%0.81670%0.701SS**  trans-69.8118.9162-98.4-93.1000107.3K9 K13K9-Y11 PolarHBondContact O-N 2.95Å; Y11-K13 VanDerWaalsContact C-N 3.33Å; Y11-K13 PolarHBondContact O-N 2.68Å
12E29.7Very low37.8Very low194 Ų194123.5 Ų123.591%0.90766%0.659SS**  trans-6394.2173.3-68.5-175.7129.800109.2E10 G14E10-E12 PolarHBondContact O-N 3.19Å; E12-G14 PolarHBondContact O-N 3.09Å
13K36.9Very low38.3Very low179 Ų179120.3 Ų120.378%0.77865%0.65SS**  trans-59.9108.2163.7-88.8-178.3175.5174.10107.2Y11Y11-K13 VanDerWaalsContact C-N 3.33Å; Y11-K13 PolarHBondContact O-N 2.68Å
14G35.3Very low38.4Very low60 Ų60124.6 Ų124.662%0.61965%0.653SS**  trans-49.3142.2163.500000109.4E12 K16E12-G14 PolarHBondContact O-N 3.09Å; G14-K16 PolarHBondContact O-N 3.41Å
15T38.6Very low38.3Very low138 Ų138127.5 Ų127.585%0.84766%0.655SS**  trans-58.897.6-173.642.50000110.8K17T15-K17 PolarHBondContact O-N 3.08Å
16K51.3Low38.2Very low149 Ų149126.8 Ų126.865%0.64865%0.651SS**PPolyproline II helixtrans-59.6123.2172.8-65.5-159.6174.3-159.10107.9G14 T18G14-K16 PolarHBondContact O-N 3.41Å; K16-T18 PolarHBondContact O-N 3.36Å
17K58.9Low38Very low77 Ų77126.5 Ų126.534%0.33565%0.649SS.*PPolyproline II helixtrans-63.8131.5175.6-178.4-169.7160.9-160.30107.3T15 F19 W262 E295T15-K17 PolarHBondContact O-N 3.08Å; K17-F19 PolarHBondContact O-N 3.32Å; K17-W262 WeakPolarHBondContact O-CZ2 3.48Å; K17-E295 IonicContact NZ-OE2 3.95Å
18T64Low38.1Very low101 Ų101127.4 Ų127.462%0.6265%0.648SS**PPolyproline II helixtrans-53.3135.8170-43.30000109.1K16 A20 Y307K16-T18 PolarHBondContact O-N 3.36Å; T18-A20 PolarHBondContact O-N 3.12Å; T18-A20 VanDerWaalsContact O-N 3.08Å; T18-Y307 WeakPolarHBondContact CG2-OH 3.43Å
19F63.8Low38Very low18 Ų18126.1 Ų126.18%0.07965%0.647CS.*  trans-56.2115.3163.6-174.2-85.9000107.3K17 W251 W262 W298 V305 Y307K17-F19 PolarHBondContact O-N 3.32Å; F19-W251 HydrophobicContact CE2-CB 4.23Å; F19-W251 AromaticContact CE2-CD2 3.95Å; F19-W251 HydrophobicContact CE2-CD2 3.95Å; F19-W251 AromaticContact CE2-CE3 3.99Å; F19-W251 HydrophobicContact CE2-CE3 3.99Å; F19-W251 HydrophobicContact CE2-CG 4.05Å; F19-W251 HydrophobicContact CZ-CD2 4.41Å; F19-W262 HydrophobicContact CB-CH2 4.35Å; F19-W262 HydrophobicContact CB-CZ2 3.87Å; F19-W262 HydrophobicContact CD2-CB 4.38Å; F19-W262 AromaticContact CD2-CD2 3.56Å; F19-W262 HydrophobicContact CD2-CD2 3.56Å; F19-W262 AromaticContact CD2-CE2 3.83Å; F19-W262 AromaticContact CD2-CE3 3.84Å; F19-W262 HydrophobicContact CD2-CE3 3.84Å; F19-W262 AromaticContact CD2-CG 3.79Å; F19-W262 HydrophobicContact CD2-CG 3.79Å; F19-W262 HydrophobicContact CD2-CZ2 4.32Å; F19-W262 HydrophobicContact CD2-CZ3 4.32Å; F19-W262 HydrophobicContact CE2-CB 4.27Å; F19-W262 HydrophobicContact CE2-CD2 4.27Å; F19-W262 HydrophobicContact CE2-CE3 4.47Å; F19-W262 HydrophobicContact CE2-CG 4.16Å; F19-W298 AromaticContact CE1-CD2 3.87Å; F19-W298 HydrophobicContact CE1-CD2 3.87Å; F19-W298 AromaticContact CE1-CE3 3.7Å; F19-W298 HydrophobicContact CE1-CE3 3.7Å; F19-W298 HydrophobicContact CE1-CG 4.36Å; F19-W298 HydrophobicContact CE1-CH2 4.32Å; F19-W298 AromaticContact CE1-CZ3 3.94Å; F19-W298 HydrophobicContact CE1-CZ3 3.94Å; F19-W298 HydrophobicContact CZ-CB 4.06Å; F19-W298 AromaticContact CZ-CD2 3.98Å; F19-W298 HydrophobicContact CZ-CD2 3.98Å; F19-W298 HydrophobicContact CZ-CE3 4.19Å; F19-W298 AromaticContact CZ-CG 3.98Å; F19-W298 HydrophobicContact CZ-CG 3.98Å; F19-V305 HydrophobicContact CB-CG1 4.19Å; F19-V305 HydrophobicContact CD1-CG1 4Å; F19-V305 HydrophobicContact CD1-CG2 4.05Å; F19-V305 HydrophobicContact CE1-CG2 4.15Å; F19-V305 HydrophobicContact CG-CG1 4.17Å; F19-Y307 HydrophobicContact CB-CE1 4.32Å; F19-Y307 WeakPolarHBondContact CB-OH 3.46Å; F19-Y307 PolarHBondContact N-OH 3.42Å
20A48.6Very low38Very low52 Ų52127 Ų12743%0.4365%0.651SS.*  trans-120.2124-177.300000106.8T18 P22T18-A20 PolarHBondContact O-N 3.12Å; T18-A20 VanDerWaalsContact O-N 3.08Å; A20-P22 WeakPolarHBondContact O-CD 3.25Å
21S38Very low38.1Very low34 Ų34124.2 Ų124.224%0.23865%0.648CS.*  trans-55.4129-179.855.80000110.5T23 E302S21-T23 VanDerWaalsContact C-N 3.26Å; S21-T23 PolarHBondContact O-N 3.32Å; S21-T23 PolarHBondContact O-OG1 2.88Å; S21-E302 VanDerWaalsContact CB-OE1 3.31Å; S21-E302 WeakPolarHBondContact CB-OE1 3.46Å; S21-E302 PolarHBondContact N-OE1 3.38Å; S21-E302 PolarHBondContact OG-OE1 3.49Å
22P40.6Very low37.9Very low50 Ų50122.2 Ų122.233%0.32565%0.646SS.*  trans-65.685.4176.4-26.437.6000111.3A20 Q24 T297A20-P22 WeakPolarHBondContact O-CD 3.25Å; P22-Q24 PolarHBondContact O-N 2.94Å; P22-T297 HydrophobicContact CB-CG2 4.49Å
23T33.4Very low37.8Very low119 Ų119117.5 Ų117.573%0.7364%0.64SS**  trans-58.9123.8-167.6-6.40000110.6S21 K25S21-T23 VanDerWaalsContact C-N 3.26Å; S21-T23 PolarHBondContact O-N 3.32Å; S21-T23 PolarHBondContact O-OG1 2.88Å; T23-K25 PolarHBondContact O-N 3.13Å
24Q31.9Very low37.4Very low188 Ų188114.8 Ų114.888%0.87963%0.634SS**  trans-58111.3-179.1-170.5-177.152.500109.3P22 S26P22-Q24 PolarHBondContact O-N 2.94Å; Q24-S26 PolarHBondContact O-N 3.48Å
25K28.3Very low37Very low184 Ų184117.5 Ų117.580%0.864%0.644SS**  trans-67.594.4179.9-72.3-175.5-175.6176.50109.7T23 H27T23-K25 PolarHBondContact O-N 3.13Å; K25-H27 PolarHBondContact O-CD2 3.36Å; K25-H27 PolarHBondContact O-N 3.34Å
26S26.7Very low36.4Very low106 Ų106122.4 Ų122.474%0.74165%0.647SS**  trans-59.7108.8166.449.40000108.4Q24 H28Q24-S26 PolarHBondContact O-N 3.48Å; S26-H28 PolarHBondContact O-N 3.22Å
27H29.6Very low35.2Very low172 Ų172125.2 Ų125.280%0.79666%0.66SS**  trans-70.878.8173-86.9-100.9000108.8K25 V29K25-H27 PolarHBondContact O-CD2 3.36Å; K25-H27 PolarHBondContact O-N 3.34Å; H27-V29 PolarHBondContact O-N 3.08Å
28H27.9Very low33.7Very low158 Ų158130.5 Ų130.573%0.73169%0.685SS**  trans-71.581.4174-161.9-38.7000109.4S26 K30S26-H28 PolarHBondContact O-N 3.22Å; H28-K30 PolarHBondContact O-N 3.06Å; H28-K30 VanDerWaalsContact O-N 3.17Å
29V30.1Very low31.9Very low119 Ų119133.4 Ų133.472%0.72170%0.697SS**PPolyproline II helixtrans-51.5121.7164.3177.80000107H27H27-V29 PolarHBondContact O-N 3.08Å
30K27.8Very low30.6Very low182 Ų182138.5 Ų138.579%0.79173%0.732SS**PPolyproline II helixtrans-77.3128.9168.6-76.3-173.9174-176.70107.8H28 Q32H28-K30 PolarHBondContact O-N 3.06Å; H28-K30 VanDerWaalsContact O-N 3.17Å; K30-Q32 PolarHBondContact O-N 3.3Å; K30-Q32 VanDerWaalsContact O-N 3.17Å
31P29.9Very low29.5Very low121 Ų121145.7 Ų145.779%0.78676%0.757SS**PPolyproline II helixtrans-60.4118.2163.3-18.832000108.5
32Q25.5Very low28.9Very low165 Ų165148 Ų14877%0.77179%0.786SS**PPolyproline II helixtrans-80118.7169-177.5178.3-62.600107.8K30 D34K30-Q32 PolarHBondContact O-N 3.3Å; K30-Q32 VanDerWaalsContact O-N 3.17Å; Q32-D34 PolarHBondContact NE2-OD1 3.13Å
33A27.4Very low28.3Very low95 Ų95151.7 Ų151.779%0.78581%0.807SS**  trans-87.3114.3170.800000108.8
34D27.1Very low27.9Very low122 Ų122151.5 Ų151.565%0.65281%0.811SS**  trans-71.9132.3175.6-69.7-37.5000110.8Q32Q32-D34 PolarHBondContact NE2-OD1 3.13Å
35S28.5Very low27.7Very low117 Ų117147.2 Ų147.282%0.81880%0.802SS**  trans-142.1114.9158.759.70000109.2
36W24.5Very low27.7Very low241 Ų241145.5 Ų145.591%0.91380%0.8SS**  trans-83.1134.3177.2-66.431.7000109.1
37K27.4Very low27.8Very low209 Ų209148.3 Ų148.391%0.90980%0.802SS**  trans-147.6154.5147-77.5-141.7172.7-144.40110.5
38E25.7Very low27.7Very low188 Ų188144.1 Ų144.188%0.87980%0.797SS**  trans-95.2151.9-162.8-60.2153.7117.400112.9
39D26.2Very low27.7Very low161 Ų161145.8 Ų145.886%0.86181%0.805SS**  trans-68.2157.4164-77.9-48.9000111.6
40P36.8Very low27.5Very low125 Ų125145 Ų14581%0.81281%0.811SS**  -131.5161.212536.5-28.8000115
41Q26.7Very low27.8Very low204 Ų204145.6 Ų145.695%0.95381%0.814SS**  trans-77.4159.6-170.2-58.2158.5-15.700114
42G25.4Very low28Very low82 Ų82145.8 Ų145.885%0.84582%0.815SS**  trans-172116.9169.300000115.5
43T27.2Very low28Very low127 Ų127149.1 Ų149.178%0.77982%0.82SS**  trans-98.6151.1-170.247.10000115.9
44S26.2Very low28.2Very low115 Ų115156.1 Ų156.180%0.80483%0.826SS**  trans65.4165.7151.1710000118.7
45S27.6Very low28.7Very low98 Ų98156.1 Ų156.169%0.68583%0.833SS**  cis-172.6146.7-33.5-1780000109
46L27.9Very low28.9Very low148 Ų148162.3 Ų162.378%0.77584%0.839SS**  trans65.9167.7178.2-49.9175.2000113.7
47E28.5Very low28.9Very low166 Ų166155.7 Ų155.778%0.77684%0.835SS**  cis-160.5178.5-13.7-124.2177.37600108.2
48A26.9Very low28.9Very low83 Ų83151.2 Ų151.269%0.68683%0.83SS**  cis-144.3-93.4-2.700000112.3
49E28Very low30.3Very low193 Ų193147.5 Ų147.590%0.90282%0.822SS**  trans-125137.9-164.3-67.5-16096.800116.3
50A25.8Very low30.3Very low103 Ų103149.2 Ų149.285%0.85182%0.822SS**  -170.9142.5128.200000111.6
51K33.5Very low29.8Very low194 Ų194151.3 Ų151.384%0.84382%0.819SS**  trans-140.3141.7170.8-82.4174.5-179.2156.50109.9
52P34.7Very low29.8Very low125 Ų125148.7 Ų148.781%0.81281%0.806SS**  -129.5131.799.15.316.6000112.1
53R26.1Very low30.1Very low235 Ų235152 Ų15289%0.88780%0.8SS**  89.2102.371.8-77.9-174.8-178.8-122.53.2115.1
54R31.2Very low30.2Very low242 Ų242154 Ų15491%0.91380%0.797SS**  trans-38.9166.7149.6-80-176.7-177-168.72.6114
55P38.6Very low30.3Very low122 Ų122155 Ų15579%0.79280%0.799SS**  cis-154.2175.942.245.2-24.2000121.3
56R31Very low30.3Very low248 Ų248154.5 Ų154.594%0.93680%0.801SS**  trans-70.6160.5155.6-67.6178172.5176.7-4110.7
57A24.5Very low30.4Very low102 Ų102153.1 Ų153.184%0.84380%0.799SS**  trans-138.5144.3168.400000113.6
58S28.7Very low30.4Very low115 Ų115153 Ų15380%0.80480%0.798SS**  trans-170.5180168.659.10000108
59P53.9Low30.5Very low109 Ų109157 Ų15771%0.70880%0.803SS**  -120.5173.7-66.339.4-27.9000112.6
60K26.1Very low30.4Very low197 Ų197150.7 Ų150.786%0.85779%0.79SS**  trans-178.5146.9157.2-96.4142.2-169.1179.60109.8
61K26.6Very low31.2Very low170 Ų170151.9 Ų151.974%0.73979%0.788SS**  63.9141.675.2-111-173.2177.3-149.50112.9
62E28.4Very low31Very low148 Ų148150.5 Ų150.569%0.69279%0.79SS**  cis-154.9-146.723-159.3144.1-145.300114.8
63Q30.3Very low30.8Very low153 Ų153148.1 Ų148.172%0.71579%0.789SS**  trans-84.6-170.9-169.8-56.4179.1-19.100114
64K30.1Very low30.9Very low167 Ų167140.4 Ų140.473%0.72678%0.782SS**  cis-175-179.527.2-147.5167-171.7171.90113.4
65T27.2Very low31Very low136 Ų136138.2 Ų138.283%0.83478%0.782SS**  trans66.5159.8161.536.40000117.3
66A28.8Very low30.9Very low89 Ų89141 Ų14174%0.73678%0.784SS**  cis-167.8175.1-2.200000108.8
67T28.8Very low31.1Very low118 Ų118139 Ų13972%0.72478%0.782SS**  cis-173.3154.7-29.1-77.40000109.7
68E29.2Very low31.8Very low163 Ų163143.9 Ų143.976%0.76278%0.784SS**  trans76.6152.1160.1-97.1172.8-169.200125.8
69H28.4Very low32Very low168 Ų168150.4 Ų150.478%0.77879%0.792SS**  trans52.7128.3156-73.5-65000124.5
70G26.1Very low31Very low61 Ų61155.4 Ų155.463%0.62980%0.802SS**  trans-102.2-173.2151.800000111.7
71P43.3Very low31.3Very low127 Ų127150.7 Ų150.783%0.82580%0.8SS**  -150.4141.8104.537.2-20.2000118.2
72N30.1Very low31.6Very low166 Ų166151.9 Ų151.989%0.88881%0.808SS**  46.6129.6128.6-153.413.4000123.6
73G29.9Very low31.9Very low75 Ų75152.2 Ų152.277%0.77382%0.815SS**  trans89.2132.215300000117.4
74G28.6Very low32.2Very low72 Ų72154.6 Ų154.674%0.74282%0.823SS**  cis146.1122.7-12.100000113.7
75Q31.9Very low32.6Very low197 Ų197152.8 Ų152.892%0.92183%0.828SS**  trans-168.5146.7159.5-114.61763500112.3
76E36.6Very low32.9Very low179 Ų179151 Ų15184%0.83683%0.827SS**  trans-86.6150.5172.7-60.4179.395.300112.6
77K36.5Very low33.3Very low207 Ų207156.7 Ų156.790%0.984%0.835SS**  -162.1138.6127-107.9146.3-168.8166.20114.7
78K37.7Very low33.9Very low204 Ų204161 Ų16189%0.88784%0.844SS**  trans-88.7119.6-170.4-175.8179.9-170.9171.40111.7
79R33.4Very low34.3Very low253 Ų253163.2 Ų163.296%0.95585%0.851SS**  trans-137.9163.8160.9-74.5-161.3172.5-171.5-1.8111.2
80K33.1Very low34.9Very low213 Ų213158.5 Ų158.593%0.92685%0.848SS**  trans-136.8120.9-151.6173.8-170-179.9-174.50110.5
81A32Very low36Very low98 Ų98165.5 Ų165.581%0.8186%0.861SS**  trans-155.3109.4173.100000113.4
82Q32.8Very low36.1Very low195 Ų195168.6 Ų168.691%0.91186%0.864SS**  trans25.4146.1151.1-68.8176.2-48.600124.2
83D34.3Very low37.2Very low156 Ų156169.6 Ų169.683%0.83486%0.861SS**  trans-66.1152.8177.9-52.7-97000116.3
84K38.2Very low38.8Very low202 Ų202175.6 Ų175.688%0.87887%0.869SS**  trans-139.2134.5142.9-73.4-167.8177.4-179.50110
85P38.4Very low40.8Very low130 Ų130178.1 Ų178.184%0.84487%0.87SS**PPolyproline II helixtrans-78.1133.1-179.130.6-34.2000112.1
86A33.2Very low43.1Very low99 Ų99173.3 Ų173.382%0.81885%0.85SS**PPolyproline II helixtrans-83.9124.1174.500000111.4K88A86-K88 PolarHBondContact O-N 3.24Å
87K35.9Very low45.5Very low207 Ų207168.4 Ų168.490%0.983%0.833SS**PPolyproline II helixtrans-65.2125.1170.2-79-174.2173.6-176.90110
88K41.4Very low47.7Very low208 Ų208165.1 Ų165.190%0.90483%0.825SS**PPolyproline II helixtrans-67.7130.5164.6-69.3-178.6177.21790109.1A86 G90A86-K88 PolarHBondContact O-N 3.24Å; K88-G90 PolarHBondContact O-N 2.81Å
89K38.9Very low50.1Low210 Ų210158.9 Ų158.991%0.91381%0.811SS**PPolyproline II helixtrans-73.5119.4164.8-74.5-168.7174-169.60108.8
90G39.7Very low52.9Low69 Ų69151 Ų15171%0.71179%0.786SS**PPolyproline II helixtrans-76.7155.1161.900000110.3K88K88-G90 PolarHBondContact O-N 2.81Å
91K50.5Low55.6Low209 Ų209146.6 Ų146.691%0.90977%0.767SS**PPolyproline II helixtrans-72.6124.2159.8-76.3-175.7173.6-175.80107.5K93K91-K93 PolarHBondContact O-N 3.49Å
92E44.1Very low58.4Low191 Ų191145.9 Ų145.989%0.89375%0.746SS**PPolyproline II helixtrans-63.6133164.1-76.216512300108.9
93K55Low61.2Low187 Ų187142.5 Ų142.581%0.81373%0.731SS**PPolyproline II helixtrans-83.4131.9159.7-66.7-176.9177.3-174.70106.1K91 T95K91-K93 PolarHBondContact O-N 3.49Å; K93-T95 PolarHBondContact O-N 3.39Å
94Q62.8Low64.1Low201 Ų201139.5 Ų139.594%0.93971%0.714SS**  trans-68.899165.9-73.5172.7-4200107.7
95T69.7Low66.5Low125 Ų125134.6 Ų134.677%0.76769%0.692SS**PPolyproline II helixtrans-75.8118.4164.441.20000107.9K93K93-T95 PolarHBondContact O-N 3.39Å
96L80Confident68.9Low97 Ų97132 Ų13251%0.50867%0.669SS.*PPolyproline II helixtrans-54.7139.3169.7-129.480.5000109.8E100 F101 I104L96-E100 HydrophobicContact CD2-CB 3.76Å; L96-E100 HydrophobicContact CG-CB 3.7Å; L96-F101 HydrophobicContact CD2-CB 4.4Å; L96-I104 HydrophobicContact CD2-CD1 3.69Å
97T88.4Confident71.8Confident76 Ų76130.5 Ų130.547%0.46665%0.646SS.*PPolyproline II helixtrans-74.5159.1170.5660000110.6A99 E100 F101T97-A99 PolarHBondContact O-N 3.33Å; T97-E100 VanDerWaalsContact CB-OE2 3.27Å; T97-E100 WeakPolarHBondContact CB-OE2 3.37Å; T97-E100 WeakPolarHBondContact CG2-OE2 3.38Å; T97-E100 PolarHBondContact N-OE2 3.37Å; T97-E100 PolarHBondContact O-N 3.35Å; T97-E100 WeakPolarHBondContact OG1-CG 3.29Å; T97-E100 PolarHBondContact OG1-N 2.75Å; T97-E100 PolarHBondContact OG1-OE2 3.38Å; T97-F101 PolarHBondContact O-N 3.37Å
98N82.4Confident74.5Confident138 Ų138124.4 Ų124.474%0.73863%0.627SS**Hα-helixtrans-63.3-26.3179.9-156.251.3000112.6E102N98-E102 PolarHBondContact O-N 3.21Å; N98-E102 VanDerWaalsContact O-N 3.07Å
99A88.7Confident76.8Confident73 Ų73117.9 Ų117.960%0.60360%0.601SS**Hα-helixtrans-72.7-44175.500000112.2T97 F101 E102 E103T97-A99 PolarHBondContact O-N 3.33Å; A99-F101 VanDerWaalsContact C-N 3.28Å; A99-F101 PolarHBondContact O-N 3.36Å; A99-E102 PolarHBondContact O-N 2.74Å; A99-E103 WeakPolarHBondContact O-CB 3.49Å; A99-E103 PolarHBondContact O-N 2.69Å
100E90.9Very high79.2Confident88 Ų88115 Ų11541%0.41159%0.585SS.*Hα-helixtrans-64.6-33.4174.1-68.8162120.800111.7L96 T97 I104L96-E100 HydrophobicContact CD2-CB 3.76Å; L96-E100 HydrophobicContact CG-CB 3.7Å; T97-E100 VanDerWaalsContact CB-OE2 3.27Å; T97-E100 WeakPolarHBondContact CB-OE2 3.37Å; T97-E100 WeakPolarHBondContact CG2-OE2 3.38Å; T97-E100 PolarHBondContact N-OE2 3.37Å; T97-E100 PolarHBondContact O-N 3.35Å; T97-E100 WeakPolarHBondContact OG1-CG 3.29Å; T97-E100 PolarHBondContact OG1-N 2.75Å; T97-E100 PolarHBondContact OG1-OE2 3.38Å; E100-I104 VanDerWaalsContact O-CG1 3.31Å; E100-I104 WeakPolarHBondContact O-CG1 3.41Å; E100-I104 PolarHBondContact O-N 3.27Å; E100-I104 VanDerWaalsContact O-N 3.08Å
101F91.1Very high81.5Confident120 Ų120118.4 Ų118.453%0.52658%0.58SS.*Hα-helixtrans-66-47.8173.5179-93.9000111.7L96 T97 A99 E103 I104 F105L96-F101 HydrophobicContact CD2-CB 4.4Å; T97-F101 PolarHBondContact O-N 3.37Å; A99-F101 VanDerWaalsContact C-N 3.28Å; A99-F101 PolarHBondContact O-N 3.36Å; F101-E103 VanDerWaalsContact C-N 3.34Å; F101-E103 PolarHBondContact O-N 2.81Å; F101-I104 PolarHBondContact O-N 3.41Å; F101-F105 WeakPolarHBondContact O-CB 3.5Å; F101-F105 PolarHBondContact O-N 2.8Å
102E89.7Confident83.2Confident83 Ų83111.5 Ų111.539%0.38856%0.558SS.*Hα-helixtrans-63.3-39.4176.8-172.559-144.900111.5N98 A99 I104 F105 Q106N98-E102 PolarHBondContact O-N 3.21Å; N98-E102 VanDerWaalsContact O-N 3.07Å; A99-E102 PolarHBondContact O-N 2.74Å; E102-I104 PolarHBondContact O-N 3.36Å; E102-F105 PolarHBondContact O-N 3.37Å; E102-Q106 HydrophobicContact CG-CG 4.32Å; E102-Q106 WeakPolarHBondContact O-CB 3.42Å; E102-Q106 VanDerWaalsContact O-CG 3.25Å; E102-Q106 WeakPolarHBondContact O-CG 3.39Å; E102-Q106 PolarHBondContact O-N 3.3Å; E102-Q106 WeakPolarHBondContact OE1-CG 3.36Å; E102-Q106 PolarHBondContact OE1-NE2 2.93Å
103E92.6Very high85.2Confident124 Ų124107.5 Ų107.558%0.57954%0.542SS*.Hα-helixtrans-60-46.2174.7-173.8177.7-17700111.6A99 F101 F105 Q106 I107A99-E103 WeakPolarHBondContact O-CB 3.49Å; A99-E103 PolarHBondContact O-N 2.69Å; F101-E103 VanDerWaalsContact C-N 3.34Å; F101-E103 PolarHBondContact O-N 2.81Å; E103-F105 PolarHBondContact O-N 2.92Å; E103-Q106 PolarHBondContact O-N 2.77Å; E103-I107 HydrophobicContact CG-CD1 3.96Å; E103-I107 WeakPolarHBondContact O-CB 3.34Å; E103-I107 WeakPolarHBondContact O-CD1 3.34Å; E103-I107 VanDerWaalsContact O-CG1 3.22Å; E103-I107 WeakPolarHBondContact O-CG1 3.39Å; E103-I107 PolarHBondContact O-N 3.45Å
104I93.9Very high86.5Confident93 Ų93103.7 Ų103.748%0.47753%0.527SS..Hα-helixtrans-61.1-44.5174.6-70.7173.3000111L96 E100 F101 E102 Q106 I107 V108L96-I104 HydrophobicContact CD2-CD1 3.69Å; E100-I104 VanDerWaalsContact O-CG1 3.31Å; E100-I104 WeakPolarHBondContact O-CG1 3.41Å; E100-I104 PolarHBondContact O-N 3.27Å; E100-I104 VanDerWaalsContact O-N 3.08Å; F101-I104 PolarHBondContact O-N 3.41Å; E102-I104 PolarHBondContact O-N 3.36Å; I104-Q106 PolarHBondContact O-N 3.22Å; I104-I107 PolarHBondContact O-N 3.27Å; I104-V108 WeakPolarHBondContact O-CG2 3.13Å; I104-V108 PolarHBondContact O-N 3.04Å
105F88.9Confident87.2Confident98 Ų98100.3 Ų100.343%0.4351%0.511SS..Hα-helixtrans-60.3-46.9178.8-174.2-115.1000111.6F101 E102 E103 I107 V108 L109F101-F105 WeakPolarHBondContact O-CB 3.5Å; F101-F105 PolarHBondContact O-N 2.8Å; E102-F105 PolarHBondContact O-N 3.37Å; E103-F105 PolarHBondContact O-N 2.92Å; F105-I107 VanDerWaalsContact C-N 3.29Å; F105-I107 PolarHBondContact O-N 3.11Å; F105-V108 PolarHBondContact O-N 3.27Å; F105-L109 HydrophobicContact CD1-CD1 3.96Å; F105-L109 HydrophobicContact CE1-CD1 3.62Å; F105-L109 HydrophobicContact CE1-CG 4.42Å; F105-L109 HydrophobicContact CZ-CD1 3.99Å; F105-L109 HydrophobicContact CZ-CG 4.4Å; F105-L109 WeakPolarHBondContact O-CG 3.28Å; F105-L109 PolarHBondContact O-N 3.42Å
106Q89.1Confident87.5Confident77 Ų77102.1 Ų102.136%0.3651%0.505SS..Hα-helixtrans-67.7-24.8176.2-66.4-63.6-22.600113.4E102 E103 I104 R110E102-Q106 HydrophobicContact CG-CG 4.32Å; E102-Q106 WeakPolarHBondContact O-CB 3.42Å; E102-Q106 VanDerWaalsContact O-CG 3.25Å; E102-Q106 WeakPolarHBondContact O-CG 3.39Å; E102-Q106 PolarHBondContact O-N 3.3Å; E102-Q106 WeakPolarHBondContact OE1-CG 3.36Å; E102-Q106 PolarHBondContact OE1-NE2 2.93Å; E103-Q106 PolarHBondContact O-N 2.77Å; I104-Q106 PolarHBondContact O-N 3.22Å; Q106-R110 PolarHBondContact O-N 3.34Å; Q106-R110 PolarHBondContact O-NE 3.22Å; Q106-R110 PolarHBondContact O-NH2 2.76Å
107I93.8Very high87.3Confident66 Ų66102 Ų10234%0.33850%0.504SS..Hα-helixtrans-74.6-41.6171.3-73.2165.1000110.7E103 I104 F105 K111E103-I107 HydrophobicContact CG-CD1 3.96Å; E103-I107 WeakPolarHBondContact O-CB 3.34Å; E103-I107 WeakPolarHBondContact O-CD1 3.34Å; E103-I107 VanDerWaalsContact O-CG1 3.22Å; E103-I107 WeakPolarHBondContact O-CG1 3.39Å; E103-I107 PolarHBondContact O-N 3.45Å; I104-I107 PolarHBondContact O-N 3.27Å; F105-I107 VanDerWaalsContact C-N 3.29Å; F105-I107 PolarHBondContact O-N 3.11Å; I107-K111 HydrophobicContact CG2-CD 4.41Å; I107-K111 WeakPolarHBondContact O-CG 3.42Å; I107-K111 PolarHBondContact O-N 2.87Å; I107-K111 VanDerWaalsContact O-N 3.09Å
108V93.2Very high86.5Confident80 Ų80104.2 Ų104.249%0.48551%0.509SS..Hα-helixtrans-62.7-50.8176.3171.50000110.4I104 F105 R110 K111 S112I104-V108 WeakPolarHBondContact O-CG2 3.13Å; I104-V108 PolarHBondContact O-N 3.04Å; F105-V108 PolarHBondContact O-N 3.27Å; V108-R110 PolarHBondContact O-N 2.79Å; V108-K111 PolarHBondContact O-N 2.85Å; V108-S112 PolarHBondContact O-N 3.31Å; V108-S112 PolarHBondContact O-OG 3.3Å
109L89.5Confident85.4Confident70 Ų70102.6 Ų102.637%0.36651%0.505SS..Hα-helixtrans-55.7-45.8178.6-71.9175000112.8F105 K111 S112 L113F105-L109 HydrophobicContact CD1-CD1 3.96Å; F105-L109 HydrophobicContact CE1-CD1 3.62Å; F105-L109 HydrophobicContact CE1-CG 4.42Å; F105-L109 HydrophobicContact CZ-CD1 3.99Å; F105-L109 HydrophobicContact CZ-CG 4.4Å; F105-L109 WeakPolarHBondContact O-CG 3.28Å; F105-L109 PolarHBondContact O-N 3.42Å; L109-K111 VanDerWaalsContact C-N 3.34Å; L109-K111 PolarHBondContact O-N 3Å; L109-S112 PolarHBondContact O-N 3.32Å; L109-L113 WeakPolarHBondContact O-CG 3.5Å; L109-L113 PolarHBondContact O-N 3.48Å
110R89.8Confident83.6Confident151 Ų151102.4 Ų102.457%0.5750%0.499SS*.Hα-helixtrans-65-35.1177-85.5175-72.4160.5-3.6113Q106 V108 Q114Q106-R110 PolarHBondContact O-N 3.34Å; Q106-R110 PolarHBondContact O-NE 3.22Å; Q106-R110 PolarHBondContact O-NH2 2.76Å; V108-R110 PolarHBondContact O-N 2.79Å; R110-Q114 WeakPolarHBondContact O-CB 3.5Å; R110-Q114 PolarHBondContact O-N 2.9Å
111K88.4Confident81.5Confident140 Ų140103 Ų10361%0.60951%0.512SS*.Hα-helixtrans-68.7-44.6175.2-77-176.5174.3-170.80112.1I107 V108 L109 L113 Q114 E115I107-K111 HydrophobicContact CG2-CD 4.41Å; I107-K111 WeakPolarHBondContact O-CG 3.42Å; I107-K111 PolarHBondContact O-N 2.87Å; I107-K111 VanDerWaalsContact O-N 3.09Å; V108-K111 PolarHBondContact O-N 2.85Å; L109-K111 VanDerWaalsContact C-N 3.34Å; L109-K111 PolarHBondContact O-N 3Å; K111-L113 VanDerWaalsContact C-N 3.29Å; K111-L113 PolarHBondContact O-N 3.44Å; K111-Q114 WeakPolarHBondContact O-CB 3.26Å; K111-Q114 PolarHBondContact O-N 3.11Å; K111-E115 WeakPolarHBondContact O-CB 3.39Å; K111-E115 PolarHBondContact O-N 3.03Å
112S84.7Confident79.3Confident64 Ų64103 Ų10345%0.44852%0.521SS..Hα-helixtrans-62-36.9176-57.90000112.3V108 L109 Y116V108-S112 PolarHBondContact O-N 3.31Å; V108-S112 PolarHBondContact O-OG 3.3Å; L109-S112 PolarHBondContact O-N 3.32Å; S112-Y116 VanDerWaalsContact O-CB 3.31Å; S112-Y116 WeakPolarHBondContact O-CB 3.49Å; S112-Y116 PolarHBondContact O-N 2.91Å
113L85.6Confident76.7Confident107 Ų107107.3 Ų107.356%0.5654%0.542SS*.Hα-helixtrans-67.7-40.3172.7-79164000112.8L109 K111 L117L109-L113 WeakPolarHBondContact O-CG 3.5Å; L109-L113 PolarHBondContact O-N 3.48Å; K111-L113 VanDerWaalsContact C-N 3.29Å; K111-L113 PolarHBondContact O-N 3.44Å; L113-L117 WeakPolarHBondContact O-CB 3.43Å; L113-L117 VanDerWaalsContact O-CG 3.29Å; L113-L117 WeakPolarHBondContact O-CG 3.45Å; L113-L117 PolarHBondContact O-N 3.11Å
114Q82.7Confident74Confident106 Ų106107.3 Ų107.350%0.49555%0.552SS.*Hα-helixtrans-61.4-47.1174.6-174.970.827.100111.1R110 K111 L117 E118R110-Q114 WeakPolarHBondContact O-CB 3.5Å; R110-Q114 PolarHBondContact O-N 2.9Å; K111-Q114 WeakPolarHBondContact O-CB 3.26Å; K111-Q114 PolarHBondContact O-N 3.11Å; Q114-L117 PolarHBondContact O-N 2.97Å; Q114-E118 WeakPolarHBondContact CG-OE1 3.01Å; Q114-E118 PolarHBondContact NE2-OE1 2.88Å; Q114-E118 WeakPolarHBondContact O-CB 3.4Å; Q114-E118 WeakPolarHBondContact O-CG 3.48Å; Q114-E118 PolarHBondContact O-N 3.05Å
115E77.8Confident71Confident131 Ų131110.5 Ų110.561%0.61257%0.568SS**Hα-helixtrans-65.3-38.4179.9-172.1167.2-156.200112.2K111 T119K111-E115 WeakPolarHBondContact O-CB 3.39Å; K111-E115 PolarHBondContact O-N 3.03Å; E115-T119 WeakPolarHBondContact O-CB 3.41Å; E115-T119 WeakPolarHBondContact O-CG2 3.33Å; E115-T119 PolarHBondContact O-N 3.27Å; E115-T119 PolarHBondContact O-OG1 3.5Å
116Y75.8Confident68.6Low163 Ų163112.4 Ų112.464%0.63958%0.582SS**Hα-helixtrans-64.1-42.1171.1-179.9-95.6000112.5S112 T119 S120S112-Y116 VanDerWaalsContact O-CB 3.31Å; S112-Y116 WeakPolarHBondContact O-CB 3.49Å; S112-Y116 PolarHBondContact O-N 2.91Å; Y116-T119 WeakPolarHBondContact CA-OG1 3.47Å; Y116-T119 PolarHBondContact O-OG1 3.25Å; Y116-T119 VanDerWaalsContact O-OG1 3.06Å; Y116-S120 WeakPolarHBondContact O-CB 3.3Å; Y116-S120 PolarHBondContact O-N 3.24Å; Y116-S120 PolarHBondContact O-OG 2.9Å
117L75.6Confident65.9Low94 Ų94114.3 Ų114.349%0.49260%0.601SS.*Hα-helixtrans-68.5-43.9177.5-72.7169.3000111.6L113 Q114 T119 S120 C121L113-L117 WeakPolarHBondContact O-CB 3.43Å; L113-L117 VanDerWaalsContact O-CG 3.29Å; L113-L117 WeakPolarHBondContact O-CG 3.45Å; L113-L117 PolarHBondContact O-N 3.11Å; Q114-L117 PolarHBondContact O-N 2.97Å; L117-T119 VanDerWaalsContact C-N 3.33Å; L117-T119 PolarHBondContact O-N 3.25Å; L117-S120 PolarHBondContact O-N 2.77Å; L117-S120 PolarHBondContact O-OG 2.77Å; L117-C121 PolarHBondContact O-N 2.82Å; L117-C121 PolarHBondContact O-SG 2.85Å
118E72.6Confident62.8Low122 Ų122117.4 Ų117.457%0.5762%0.623SS**Hα-helixtrans-62.3-37.3177.3-75.1176-169.300112.5Q114Q114-E118 WeakPolarHBondContact CG-OE1 3.01Å; Q114-E118 PolarHBondContact NE2-OE1 2.88Å; Q114-E118 WeakPolarHBondContact O-CB 3.4Å; Q114-E118 WeakPolarHBondContact O-CG 3.48Å; Q114-E118 PolarHBondContact O-N 3.05Å
119T59.4Low59.8Low105 Ų105122.5 Ų122.564%0.64464%0.638SS**Hα-helixtrans-73.9-29.7173.447.80000113.5E115 Y116 L117E115-T119 WeakPolarHBondContact O-CB 3.41Å; E115-T119 WeakPolarHBondContact O-CG2 3.33Å; E115-T119 PolarHBondContact O-N 3.27Å; E115-T119 PolarHBondContact O-OG1 3.5Å; Y116-T119 WeakPolarHBondContact CA-OG1 3.47Å; Y116-T119 PolarHBondContact O-OG1 3.25Å; Y116-T119 VanDerWaalsContact O-OG1 3.06Å; L117-T119 VanDerWaalsContact C-N 3.33Å; L117-T119 PolarHBondContact O-N 3.25Å
120S51.1Low57Low69 Ų69124.5 Ų124.548%0.48366%0.658SS.*Hα-helixtrans-73.2-25.1178.576.10000114.7Y116 L117 V122Y116-S120 WeakPolarHBondContact O-CB 3.3Å; Y116-S120 PolarHBondContact O-N 3.24Å; Y116-S120 PolarHBondContact O-OG 2.9Å; L117-S120 PolarHBondContact O-N 2.77Å; L117-S120 PolarHBondContact O-OG 2.77Å; S120-V122 VanDerWaalsContact C-N 3.26Å; S120-V122 PolarHBondContact O-N 2.83Å; S120-V122 VanDerWaalsContact O-N 3.13Å
121C45.6Very low54.1Low100 Ų100125 Ų12568%0.67667%0.672SS**THydrogen-bonded Turntrans-79.811.3-167.9-75.80000116L117L117-C121 PolarHBondContact O-N 2.82Å; L117-C121 PolarHBondContact O-SG 2.85Å
122V46Very low51.6Low120 Ų120127.9 Ų127.973%0.72769%0.685SS**  trans-110.857.6-176.1-163.30000112.6S120S120-V122 VanDerWaalsContact C-N 3.26Å; S120-V122 PolarHBondContact O-N 2.83Å; S120-V122 VanDerWaalsContact O-N 3.13Å
123Q35.7Very low49.1Very low174 Ų174133.7 Ų133.781%0.81371%0.705SS**  trans-139123.4154-72.3-157.619.700111.3I125Q123-I125 PolarHBondContact O-N 3.09Å
124P34.7Very low46.7Very low124 Ų124134.3 Ų134.381%0.80572%0.715SS**  trans-70.6114.4171.4-15.730.4000110.7I126P124-I126 PolarHBondContact O-N 2.84Å; P124-I126 VanDerWaalsContact O-N 3.08Å
125I32.2Very low44Very low159 Ų159133 Ų13382%0.81573%0.73SS**  trans-71.3104.5173.8-59.5176.1000108.8Q123 P127Q123-I125 PolarHBondContact O-N 3.09Å; I125-P127 WeakPolarHBondContact O-CD 3.29Å
126I38.1Very low41.8Very low139 Ų139134.8 Ų134.871%0.71374%0.743SS**  trans-77.5122.2167.6-60.5177.1000107.9P124 T128P124-I126 PolarHBondContact O-N 2.84Å; P124-I126 VanDerWaalsContact O-N 3.08Å; I126-T128 PolarHBondContact O-N 2.92Å
127P31.2Very low39.5Very low116 Ų116130.8 Ų130.875%0.75374%0.743SS**  trans-74.890.6176.6-15.331.6000111I125 K129I125-P127 WeakPolarHBondContact O-CD 3.29Å; P127-K129 PolarHBondContact O-N 3.25Å
128T28.4Very low37.3Very low131 Ų131131.9 Ų131.980%0.80476%0.758SS**  trans-63.5121.5172.1-48.40000109.6I126I126-T128 PolarHBondContact O-N 2.92Å
129K30.9Very low36.3Very low187 Ų187131.8 Ų131.881%0.81377%0.769SS**  trans-67.3144.1173.5-71.5-171.9176.1-175.80110.3P127 D131P127-K129 PolarHBondContact O-N 3.25Å; K129-D131 PolarHBondContact O-N 2.78Å
130S30.8Very low34.9Very low112 Ų112130.7 Ų130.778%0.78377%0.77SS**  trans-81.5105.6175.358.50000111
131D29.8Very low33.9Very low162 Ų162133 Ų13387%0.86678%0.781SS**PPolyproline II helixtrans-76.3138.7162.4-73.4-46.1000110.2K129K129-D131 PolarHBondContact O-N 2.78Å
132K34.8Very low33.3Very low201 Ų201134 Ų13487%0.87478%0.78SS**PPolyproline II helixtrans-103.6147.3171.9-82.3-173.5174.8-178.90110.5
133E32.6Very low32.8Very low186 Ų186135 Ų13587%0.86978%0.782SS**PPolyproline II helixtrans-57.1141.5-179-170.8-178.7163.600113.5G135E133-G135 PolarHBondContact O-N 2.83Å
134P34.3Very low32.8Very low119 Ų119133.9 Ų133.977%0.77378%0.776SS**  trans-80.8111-179.831.2-33.9000112.8
135G26.8Very low32.8Very low79 Ų79134.6 Ų134.681%0.81477%0.773SS**  trans-76153.9169.700000113.7E133E133-G135 PolarHBondContact O-N 2.83Å
136I31.6Very low33Very low169 Ų169130.6 Ų130.687%0.86776%0.764SS**  trans-93.3134.7-174.7-64.7173.7000112.1
137A26.5Very low32.8Very low79 Ų79131.8 Ų131.865%0.65377%0.771SS**  trans64.9105.6160.900000120.4
138S30.3Very low32.7Very low116 Ų116129.4 Ų129.481%0.81177%0.768SS**  55.1150.9115.8-58.90000122.6
139P52.4Low32.9Very low121 Ų121130.2 Ų130.279%0.78677%0.766SS**  cis-139.7-176.2-23.639.9-22.4000114.9
140A28.8Very low32.8Very low81 Ų81128.1 Ų128.167%0.66976%0.764SS**  trans114.3129145.500000118.2
141T31.6Very low32.8Very low117 Ų117127.8 Ų127.872%0.71876%0.761SS**  trans56.5144.8151.6580000119.9
142D31.7Very low33.1Very low123 Ų123129.6 Ų129.666%0.65876%0.756SS**  cis-167.9141.2-13.4-103.1-11.8000107.4
143N35.4Very low32.8Very low141 Ų141126.9 Ų126.975%0.75475%0.747SS**  trans58.7172.1155.6-54.6-26.1000117.9
144E37.1Very low32.6Very low150 Ų150126.6 Ų126.670%0.70175%0.745SS**  cis-157.5156.2-46.6-106.1-157.9177.800107.1
145N34.3Very low32.4Very low139 Ų139126.8 Ų126.874%0.74374%0.744SS**  trans64.3163.3157.7-57.3-32.3000118.1
146A35.5Very low32.5Very low75 Ų75131 Ų13162%0.6275%0.746SS**  cis-165.9160.5-33.900000109.6
147D33.3Very low32.3Very low163 Ų163128.7 Ų128.787%0.87274%0.74SS**  trans52160.1151.4-62.5-32.9000123.2
148G29.3Very low33.5Very low67 Ų67130.4 Ų130.469%0.69174%0.744SS**  trans11472.8159.200000116.3
149I32.9Very low33.3Very low147 Ų147131.6 Ų131.675%0.75474%0.742SS**  74.5108.872.9-66.9-179.4000115.5
150N29.3Very low32.1Very low143 Ų143130.5 Ų130.577%0.76573%0.733SS**  trans68.4113141.5-71.33.7000123.8
151S31.6Very low32.1Very low105 Ų105135.8 Ų135.873%0.73474%0.735SS**  109.4151.8102.2-77.30000121.6
152R34.3Very low32Very low201 Ų201136.7 Ų136.776%0.75873%0.732SS**  trans79.6114.3158.1-117.9164175.9-128.1-23.9116.4
153E28.7Very low31.9Very low144 Ų144138 Ų13867%0.67374%0.737SS**  66.898.854.6175.7-154.6-120.700112.5
154E28.8Very low31.5Very low179 Ų179135.9 Ų135.984%0.83674%0.739SS**  -157.4166.7125.6-130.1167.9-179.400111.3
155V30.5Very low31Very low123 Ų123134.6 Ų134.675%0.74575%0.747SS**  trans-129.1139.8-174.7171.50000109.2
156I28.2Very low30.8Very low167 Ų167133.2 Ų133.286%0.85675%0.748SS**  trans-161.8154.1156.1-102.6144.3000109.3
157V28.4Very low30.6Very low122 Ų122136.8 Ų136.874%0.73976%0.756SS**  trans-126.4-177.1-178.4-141.50000109.7
158P52.1Low30.5Very low115 Ų115136.9 Ų136.975%0.74775%0.751SS**  -97.5175.8-120.942-29.2000114.9
159D25.2Very low30.5Very low141 Ų141142.5 Ų142.575%0.75476%0.759SS**  -158.9151.5129.4-138.7-4.8000117.2
160T27.8Very low30.3Very low98 Ų98143.5 Ų143.560%0.60176%0.761SS**  trans37.5140150.643.50000126.9
161R28.1Very low30.2Very low191 Ų191143.8 Ų143.872%0.72177%0.767SS**  trans92121.3132.5-79.8-171.1160.2126.89.2120.9
162E28.9Very low30Very low137 Ų137145 Ų14564%0.6477%0.766SS**  73.6135.877.8-71.3172.8-144.100112.4
163I29.7Very low29.7Very low149 Ų149139.6 Ų139.676%0.76476%0.759SS**  cis-159.4145.1-2.1-105.7158.4000108
164A27Very low29.7Very low98 Ų98141.4 Ų141.481%0.8177%0.767SS**  trans-177.1118.5150.100000116.1
165S26.4Very low29.7Very low123 Ų123139.5 Ų139.586%0.8676%0.761SS**  trans-158.5148.1140.2-169.10000107.6
166S31.1Very low29.6Very low109 Ų109144 Ų14476%0.76277%0.765SS**  trans-138.6171.2-162.3-55.20000113.6
167L31.1Very low29.4Very low150 Ų150141.7 Ų141.779%0.78576%0.759SS**  trans90.285.2168.3-127.574.1000117.8
168E31.6Very low29.3Very low166 Ų166141.5 Ų141.578%0.77676%0.763SS**  13.1144.4106.730.6-163.1152.900116.7
169E28.8Very low28.4Very low184 Ų184145.4 Ų145.486%0.8677%0.768SS**  cis-152.8160.647.5-164.9174.9160.100114.8
170E28.9Very low28.8Very low168 Ų168144.4 Ų144.479%0.78577%0.769SS**  trans-57.9160.2177.7178.1-179.6165.200117.7
171V27.1Very low28.6Very low149 Ų149143.4 Ų143.490%0.90378%0.779SS**  trans-175.9158.7139.9142.10000111
172D27.5Very low28.6Very low131 Ų131143.2 Ų143.270%0.70179%0.786SS**  trans-116.1159.1-144.7-16413.4000117.7
173S28.6Very low28.4Very low88 Ų88144.8 Ų144.862%0.61580%0.798SS**  trans46.3119.4147.7-75.20000126
174E28Very low28.2Very low182 Ų182141.9 Ų141.985%0.8580%0.796SS**  75.7166.7122.1-144-176.8-158.200122.1
175I28.7Very low28.2Very low138 Ų138142 Ų14271%0.70880%0.797SS**  trans93.485161.4-47.6-174.1000119.1
176R27.6Very low28.3Very low218 Ų218145.4 Ų145.482%0.82380%0.799SS**  55.5106.7113.3-153.2-176.5-168.9-172.35.8120.9
177T23.8Very low28.8Very low119 Ų119145.4 Ų145.473%0.7380%0.796SS**  trans73.2139.5142.359.90000123.1
178S27.4Very low28.9Very low117 Ų117142.4 Ų142.482%0.81879%0.788SS**  trans101128.4147.8-52.70000120.3
179K32.4Very low29.1Very low197 Ų197143.1 Ų143.186%0.85779%0.789SS**  trans-72.2175.2154.3-57.4179.5177.3179.80109.1
180P34.4Very low29.4Very low120 Ų120142.5 Ų142.578%0.77978%0.783SS**  cis-147.8156.813.941-20.4000119.7
181G23.3Very low29.6Very low78 Ų78143.6 Ų143.680%0.80479%0.785SS**  trans65.1-174.4147.400000118.9
182Q28.2Very low29.7Very low187 Ų187140.6 Ų140.687%0.87477%0.771SS**  cis-167.2137.2-33.1-175.5178.934.300109.4
183L24.2Very low29.7Very low170 Ų170141.9 Ų141.989%0.8978%0.778SS**  trans-150.2157.5169.1-70.4178000109.3
184A26.3Very low29.7Very low88 Ų88148.7 Ų148.773%0.72779%0.79SS**  cis-176.1162.8-24.800000108.4
185A27.5Very low29.6Very low100 Ų100148.3 Ų148.383%0.82679%0.793SS**  cis-172.2138.6-3300000108
186E27.4Very low29.4Very low194 Ų194147.3 Ų147.391%0.90780%0.798SS**  trans-117.9140-177.5-153.4-171.7-129.400113.9
187P42.7Very low29.4Very low109 Ų109145 Ų14571%0.70880%0.802SS**  trans-105152.2172.537-30.3000113.1
188S31.9Very low29.8Very low88 Ų88143.1 Ų143.162%0.61579%0.793SS**  cis-168.7166.22.864.20000113.8
189K36.7Very low30Very low180 Ų180146 Ų14678%0.78379%0.791SS**  trans48.8134.2143.6-64.8157.9-170.5167.40118.9
190K34.6Very low30Very low172 Ų172146.7 Ų146.775%0.74879%0.788SS**  cis-171137.68.3-124.4178.9-178.5177.20110.8
191K33.5Very low29.9Very low190 Ų190150.7 Ų150.783%0.82679%0.788SS**  trans60.2149.4149.2-72-168.7174.3-1680120
192S28.4Very low30.3Very low86 Ų86156.2 Ų156.260%0.60179%0.79SS**  cis-173.8141.2-18.649.50000112.1
193N27.5Very low30.2Very low159 Ų159156.2 Ų156.285%0.8579%0.787SS**  trans62.2151.4152.6-60.8-4.6000118.9
194R29.3Very low30.6Very low230 Ų230151.9 Ų151.987%0.86877%0.77SS**  cis-166.1118.1-25.3171.2-179.2179.1178.30.6106.5
195L25.6Very low30.7Very low174 Ų174154.6 Ų154.691%0.91177%0.768SS**  trans-140.3152.3170.1-78.8176.2000110.3
196S25.3Very low30.7Very low117 Ų117156.8 Ų156.882%0.81877%0.766SS**  trans-137.9108.3169.754.30000109
197L27.6Very low30.7Very low171 Ų171155.4 Ų155.490%0.89576%0.759SS**  trans-119.8166.7171.3-101.6174.1000110.9
198S31.6Very low30Very low78 Ų78158.8 Ų158.855%0.54576%0.763SS.*  trans-98166.5-153.870.10000115.8
199K31.8Very low29.7Very low179 Ų179161.5 Ų161.578%0.77877%0.768SS**  trans76.7124.9144.4-73.3165.1-177.4170.30120.6
200R32.8Very low29.4Very low211 Ų211161.2 Ų161.280%0.79677%0.769SS**  61.6144.8128.8-77.8-172.4173.2-171-1.1119.8
201R31.8Very low29.1Very low203 Ų203161.3 Ų161.377%0.76677%0.772SS**  cis-167.6149.1-13.1-142.3-176.6-177-171.8-0.2109.9
202K32.1Very low29Very low195 Ų195160.3 Ų160.385%0.84877%0.774SS**  trans56.9111.5145-166.4177.4-172.4-177.10120.7
203K25.6Very low29.2Very low187 Ų187164.8 Ų164.881%0.81379%0.786SS**  -143.1173.9128-167165.2-179.4-152.70109.3
204S31.7Very low29.2Very low78 Ų78165.2 Ų165.255%0.54579%0.788SS.*  trans-116.2-178.9-161.744.70000114.2
205E28.6Very low29.1Very low145 Ų145157.2 Ų157.268%0.67878%0.777SS**  trans71.7144.3168.3-55.8137.2125.600115.1
206D27.8Very low29.4Very low147 Ų147159 Ų15979%0.78677%0.774SS**  cis-158.3-178.2-43.2-114.5-66.8000106.7
207E28.5Very low29.4Very low164 Ų164162.5 Ų162.577%0.76678%0.777SS**  cis-140.5-178.616.5-50.5170.618.100112.6
208K26.8Very low29.6Very low181 Ų181160.3 Ų160.379%0.78778%0.775SS**  trans60.4111.4137.3-168.5173-173.1170.80120.8
209M26.7Very low29.6Very low144 Ų144164.1 Ų164.171%0.70979%0.787SS**  -171.5133.4101.1-175.1159.1176.400113.2
210E29.5Very low29.8Very low174 Ų174163.3 Ų163.381%0.81379%0.791SS**  trans54142.4161.4-75.4174.3-173.400122.5
211E28Very low29.7Very low175 Ų175163.5 Ų163.582%0.81880%0.797SS**  trans-135.6137.9179.5176.4178.3-175.400107.2
212I31.9Very low29.6Very low169 Ų169160.6 Ų160.687%0.86780%0.797SS**  trans-110.5124.7175.5-64.7177.9000108.1
213Q32.9Very low29.5Very low180 Ų180160.9 Ų160.984%0.84180%0.798SS**  trans-85.7133.8179.7-61.9176.1-53.300111.4
214D26.9Very low29.8Very low167 Ų167160.6 Ų160.689%0.89380%0.8SS**  trans-160.6133.4158-157.935000107.6
215G27.8Very low29.8Very low63 Ų63164.8 Ų164.865%0.64981%0.808SS**  cis166.7520.300000112.6
216Y32Very low29.7Very low212 Ų212165.1 Ų165.183%0.83182%0.82SS**  trans-127.672.1-174.867.8-85.2000114.7
217E26.1Very low29.6Very low189 Ų189162.8 Ų162.888%0.88381%0.811SS**  trans-87.6105.5163.5-75.4-163124.400111.3I219E217-I219 PolarHBondContact O-N 2.86Å
218C31.3Very low29.8Very low126 Ų126163.1 Ų163.185%0.85182%0.817SS**  trans-82.396.8167.2-68.10000110.1L220C218-L220 PolarHBondContact O-N 3.16Å; C218-L220 VanDerWaalsContact O-N 3.16Å
219I30.4Very low30.1Very low157 Ų157162.5 Ų162.581%0.80582%0.816SS**  trans-64.2110.3174.7-58.6171.7000109.8E217E217-I219 PolarHBondContact O-N 2.86Å
220L37.7Very low30.1Very low163 Ų163163.4 Ų163.485%0.85382%0.824SS**  trans-170.949.7147.8-108176.5000113.6C218C218-L220 PolarHBondContact O-N 3.16Å; C218-L220 VanDerWaalsContact O-N 3.16Å
221K29.5Very low31Very low214 Ų214160.1 Ų160.193%0.9382%0.818SS**  trans-141.383.5170.5-73-169.7-1801750113.9
222D29.1Very low31.2Very low142 Ų142157 Ų15776%0.75982%0.815SS**  trans-155.4130.7140.3-166.97.4000111.9
223K31.6Very low31.3Very low201 Ų201156.7 Ų156.787%0.87481%0.81SS**  trans17166.4148.6-97.3168.7-177174.50112.4
224Q30.4Very low31.5Very low182 Ų182155.7 Ų155.785%0.8581%0.809SS**  trans-167135.6152.4-112174.881.200106.9
225K31.7Very low31.7Very low166 Ų166159.4 Ų159.472%0.72281%0.811SS**  cis-169.8143.632.3158.6-170.1174.7-176.60110.5
226T28.4Very low32Very low152 Ų152159.8 Ų159.893%0.93381%0.814SS**  trans-151.3158.2149.96.80000110.8
227T25.3Very low32.3Very low97 Ų97158.9 Ų158.960%0.59582%0.818SS**  trans-129132.5-164.1-59.40000111.8
228I32.2Very low32.6Very low172 Ų172158.8 Ų158.888%0.88282%0.817SS**  trans-134.5146.2154.3-60.6-176.5000107
229Q33.4Very low32.9Very low167 Ų167161.9 Ų161.978%0.7882%0.816SS**  trans-107.9139.9178.8-571751500110.2
230D25.4Very low33.1Very low163 Ų163162.3 Ų162.387%0.87282%0.815SS**  -163.3163.2123.4-129.122.3000109.9
231P48.8Very low33.4Very low105 Ų105163.4 Ų163.468%0.68282%0.815SS**  trans-107.4162.4-156.239.6-37.2000115.8
232S32.1Very low33.7Very low110 Ų110161.3 Ų161.377%0.76981%0.809SS**  176.9154129.447.50000114.3
233Q34.5Very low34Very low163 Ų163156.2 Ų156.276%0.76279%0.79SS**  trans5283.8163-50.2-74.2500117
234I37.3Very low34.3Very low159 Ų159150.5 Ų150.582%0.81579%0.789SS**  57.496.378-50170.7000115.3
235R31.7Very low34.7Very low245 Ų245144.6 Ų144.693%0.92576%0.76SS**  -152.3119.6125.3177.5163.4-82.7-1060108.5
236G32.3Very low35.8Very low70 Ų70138.2 Ų138.272%0.72274%0.741SS**  trans-81.9143.1-170.600000114.2
237Q39.1Very low37.2Very low194 Ų194140.4 Ų140.491%0.90774%0.741SS**  trans-107.9144.5135.9-75.4-178.6-28.200107.1K239Q237-K239 PolarHBondContact O-N 2.91Å; Q237-K239 VanDerWaalsContact O-N 3.16Å
238Q32.3Very low39.6Very low187 Ų187138.7 Ų138.787%0.87473%0.732SS**  trans-71.8109.1174.9-72.3163.1-89.700107.9E240Q238-E240 VanDerWaalsContact C-N 3.29Å; Q238-E240 PolarHBondContact O-N 3.1Å; Q238-E240 VanDerWaalsContact O-N 3.1Å
239K36.9Very low42.2Very low190 Ų190135.6 Ų135.683%0.82672%0.717SS**  trans-80.584.7168.8-169.2-173.2-178.5-166.60108Q237Q237-K239 PolarHBondContact O-N 2.91Å; Q237-K239 VanDerWaalsContact O-N 3.16Å
240E35.3Very low44.9Very low166 Ų166128.7 Ų128.778%0.77669%0.685SS**  trans-59.8139.1160.6-68.6-174.511800108.3Q238 E242Q238-E240 VanDerWaalsContact C-N 3.29Å; Q238-E240 PolarHBondContact O-N 3.1Å; Q238-E240 VanDerWaalsContact O-N 3.1Å; E240-E242 PolarHBondContact O-N 3Å
241E44.2Very low48.1Very low186 Ų186123 Ų12387%0.86965%0.652SS**  trans-80.365.5175-64.5-163.912700109.2G243E241-G243 PolarHBondContact O-N 3.32Å
242E35.8Very low50.2Low170 Ų170119.2 Ų119.279%0.79463%0.626SS**  trans-63124.5-177.9-167.6169.4-150.100110.5E240 G244E240-E242 PolarHBondContact O-N 3Å; E242-G244 PolarHBondContact O-N 2.91Å
243G34.5Very low53.2Low36 Ų36115.3 Ų115.337%0.37160%0.596SS.*  trans-74.396.3-159.500000114.4E241 F245 Q413E241-G243 PolarHBondContact O-N 3.32Å; G243-F245 VanDerWaalsContact C-N 3.26Å; G243-F245 PolarHBondContact O-N 3.16Å; G243-Q413 PolarHBondContact O-NE2 3.07Å
244G39.3Very low56.1Low81 Ų81107.6 Ų107.684%0.83556%0.56SS**  trans61.117.2140.100000118.6E242E242-G244 PolarHBondContact O-N 2.91Å
245F38Very low58.8Low58 Ų58103.2 Ų103.225%0.25454%0.544SS..  trans-75.4146174.6-133.7-94.7000111.4G243 Q247 P312 I412 Q413 V416G243-F245 VanDerWaalsContact C-N 3.26Å; G243-F245 PolarHBondContact O-N 3.16Å; F245-Q247 PolarHBondContact O-N 3.03Å; F245-P312 HydrophobicContact CE1-CB 3.77Å; F245-P312 WeakPolarHBondContact CE1-O 3.38Å; F245-P312 HydrophobicContact CZ-CB 4.01Å; F245-P312 VanDerWaalsContact CZ-O 3.3Å; F245-P312 WeakPolarHBondContact CZ-O 3.3Å; F245-I412 HydrophobicContact CE1-CG2 3.59Å; F245-I412 HydrophobicContact CE2-CG2 3.85Å; F245-I412 HydrophobicContact CZ-CG2 3.15Å; F245-Q413 VanDerWaalsContact CG-OE1 3.3Å; F245-V416 HydrophobicContact CE2-CB 3.67Å; F245-V416 HydrophobicContact CE2-CG1 4.28Å; F245-V416 HydrophobicContact CE2-CG2 3.5Å; F245-V416 HydrophobicContact CZ-CB 4.33Å; F245-V416 HydrophobicContact CZ-CG2 3.65Å
246G54Low61.7Low31 Ų3193.7 Ų93.732%0.3251%0.514SS..  trans-60.6132.5177.400000111C248G246-C248 PolarHBondContact O-N 3.28Å
247Q59.8Low64.5Low198 Ų19895.2 Ų95.293%0.92551%0.514SS*.  trans-77.636.6-167.5-65168.9-10.500113.7F245F245-Q247 PolarHBondContact O-N 3.03Å
248C74.1Confident67.1Low62 Ų6295.6 Ų95.642%0.41951%0.513SS..  trans-90.3114.3-178.2-60.80000110.7G246 I250G246-C248 PolarHBondContact O-N 3.28Å; C248-I250 PolarHBondContact O-N 3.13Å
249L87.3Confident70Confident106 Ų10687.4 Ų87.456%0.55548%0.476SS*.  trans-71.3123.3168.9-56.7-177.2000109.2
250I90.8Very high72.6Confident23 Ų2382.4 Ų82.412%0.11846%0.455CS..EExtended strand (participates in β ladder)trans-89129.2-177.6-51.9174.8000109.2C248 L265 P271 V311C248-I250 PolarHBondContact O-N 3.13Å; I250-L265 HydrophobicContact CB-CB 4.18Å; I250-L265 HydrophobicContact CG2-CB 4.19Å; I250-L265 HydrophobicContact CG2-CD1 3.9Å; I250-L265 HydrophobicContact CG2-CG 4.47Å; I250-L265 PolarHBondContact O-N 2.91Å; I250-P271 HydrophobicContact CG2-CB 4.19Å; I250-P271 HydrophobicContact CG2-CG 3.96Å; I250-V311 HydrophobicContact CD1-CB 4.3Å; I250-V311 HydrophobicContact CD1-CG1 4.07Å; I250-V311 HydrophobicContact CD1-CG2 3.98Å; I250-V311 HydrophobicContact CG1-CG1 4.2Å
251W92.6Very high75.4Confident44 Ų4476.5 Ų76.517%0.16743%0.427CS..EExtended strand (participates in β ladder)trans-126136.4179.4-70.681.2000111F19 W262 R263 Q264 E296 W298F19-W251 HydrophobicContact CE2-CB 4.23Å; F19-W251 AromaticContact CE2-CD2 3.95Å; F19-W251 HydrophobicContact CE2-CD2 3.95Å; F19-W251 AromaticContact CE2-CE3 3.99Å; F19-W251 HydrophobicContact CE2-CE3 3.99Å; F19-W251 HydrophobicContact CE2-CG 4.05Å; F19-W251 HydrophobicContact CZ-CD2 4.41Å; W251-W262 HydrophobicContact CB-CE3 4.18Å; W251-W262 HydrophobicContact CE3-CB 4.04Å; W251-W262 HydrophobicContact CZ3-CB 4.44Å; W251-R263 WeakPolarHBondContact CA-O 3.45Å; W251-Q264 HydrophobicContact CD2-CB 4.23Å; W251-Q264 HydrophobicContact CE3-CB 4.28Å; W251-Q264 HydrophobicContact CH2-CB 4.13Å; W251-Q264 HydrophobicContact CZ2-CB 4.03Å; W251-Q264 HydrophobicContact CZ2-CG 4.26Å; W251-Q264 HydrophobicContact CZ3-CB 4.26Å; W251-E296 HydrophobicContact CH2-CB 3.63Å; W251-E296 HydrophobicContact CZ3-CB 3.77Å; W251-W298 HydrophobicContact CH2-CB 4.06Å; W251-W298 HydrophobicContact CZ2-CB 3.81Å; W251-W298 AromaticContact CZ2-CD1 3.99Å; W251-W298 HydrophobicContact CZ2-CG 4.27Å; W251-W298 AromaticContact NE1-CD1 3.91Å
252V93.3Very high77.8Confident24 Ų2468.9 Ų68.915%0.14539%0.391CS..EExtended strand (participates in β ladder)trans-124142.6178.4650000110.6W262 R263 L265 L274 W278V252-W262 VanDerWaalsContact C-CE3 3.44Å; V252-W262 WeakPolarHBondContact O-CA 3.43Å; V252-R263 HydrophobicContact CG1-CB 4.24Å; V252-R263 PolarHBondContact N-O 2.87Å; V252-R263 PolarHBondContact O-N 2.8Å; V252-L265 HydrophobicContact CB-CD1 4.1Å; V252-L265 HydrophobicContact CB-CG 4.3Å; V252-L265 HydrophobicContact CG1-CD1 4.02Å; V252-L265 HydrophobicContact CG1-CD2 3.74Å; V252-L265 HydrophobicContact CG1-CG 3.76Å; V252-L274 HydrophobicContact CG2-CD1 4.21Å; V252-W278 HydrophobicContact CB-CE3 4.48Å; V252-W278 HydrophobicContact CB-CZ3 4.5Å; V252-W278 HydrophobicContact CG1-CD2 4.13Å; V252-W278 HydrophobicContact CG1-CE3 3.8Å; V252-W278 HydrophobicContact CG1-CH2 3.48Å; V252-W278 VanDerWaalsContact CG1-CH2 3.48Å; V252-W278 HydrophobicContact CG1-CZ2 3.79Å; V252-W278 HydrophobicContact CG1-CZ3 3.48Å; V252-W278 VanDerWaalsContact CG1-CZ3 3.48Å; V252-W278 HydrophobicContact CG2-CD2 4.12Å; V252-W278 HydrophobicContact CG2-CE3 3.86Å; V252-W278 HydrophobicContact CG2-CZ3 4.34Å
253Q94.4Very high80.6Confident28 Ų2860.8 Ų60.813%0.13135%0.353CS..EExtended strand (participates in β ladder)trans-91133.9174.5-156.6-165.3100110.4S255 E260 W262Q253-S255 PolarHBondContact O-N 2.98Å; Q253-E260 WeakPolarHBondContact CG-O 3.16Å; Q253-E260 PolarHBondContact NE2-O 2.75Å; Q253-W262 HydrophobicContact CB-CD2 4Å; Q253-W262 HydrophobicContact CB-CE3 3.91Å; Q253-W262 HydrophobicContact CB-CH2 3.91Å; Q253-W262 HydrophobicContact CB-CZ2 3.96Å; Q253-W262 HydrophobicContact CB-CZ3 3.88Å; Q253-W262 HydrophobicContact CG-CD2 4.08Å; Q253-W262 HydrophobicContact CG-CZ2 4.13Å
254C94.9Very high83.4Confident1 Ų162.2 Ų62.21%0.00735%0.35CS..  trans-69113.6171.1176.80000111.2S256 K261 W278 C280C254-S256 PolarHBondContact O-N 3.35Å; C254-K261 WeakPolarHBondContact CB-O 3.45Å; C254-K261 PolarHBondContact N-O 2.79Å; C254-W278 HydrophobicContact CB-CZ3 4.2Å; C254-C280 PolarHBondContact SG-N 3Å; C254-C280 VanDerWaalsContact SG-N 3.44Å; C254-C280 VanDerWaalsContact SG-SG 3.68Å
255S94.3Very high85.7Confident68 Ų6858.6 Ų58.648%0.47631%0.311SS..  trans-67.51.4-180-62.50000114.9Q253 S257 D276 W278Q253-S255 PolarHBondContact O-N 2.98Å; S255-S257 PolarHBondContact O-N 3.42Å; S255-D276 WeakPolarHBondContact CB-O 3.36Å; S255-D276 PolarHBondContact OG-O 2.93Å; S255-W278 WeakPolarHBondContact CB-O 3.5Å; S255-W278 PolarHBondContact N-O 2.71Å
256S92.5Very high87.9Confident44 Ų4461.9 Ų61.931%0.30832%0.322SS..  trans-75116.1172.8179.70000110.4C254 K258 C259 E260C254-S256 PolarHBondContact O-N 3.35Å; S256-K258 PolarHBondContact O-N 3.49Å; S256-C259 PolarHBondContact O-N 3.19Å; S256-E260 PolarHBondContact O-N 3.14Å
257S91.5Very high88.7Confident103 Ų10363 Ų6372%0.7233%0.333SS*.THydrogen-bonded Turntrans-64.82.2-179.758.10000115.8S255S255-S257 PolarHBondContact O-N 3.42Å
258K92.3Very high89.7Confident201 Ų20157.7 Ų57.787%0.87431%0.311SS*.THydrogen-bonded Turntrans-108.2-5.7169.8-64.1-178.8-178.2175.20113.1S256S256-K258 PolarHBondContact O-N 3.49Å
259C93.1Very high90.3Very high16 Ų1655.9 Ų55.911%0.10830%0.297CS..THydrogen-bonded Turntrans-117.8-59.4-174.3-167.90000110.9S256 K261 C291S256-C259 PolarHBondContact O-N 3.19Å; C259-K261 PolarHBondContact O-N 2.7Å; C259-K261 PolarHBondContact SG-NZ 3.26Å; C259-C291 HydrophobicContact CB-CB 4.09Å
260E92.5Very high90.4Very high84 Ų8451.1 Ų51.139%0.39327%0.272SS..  trans50.513.2-178.6-62-172.3173.300115.6Q253 S256Q253-E260 WeakPolarHBondContact CG-O 3.16Å; Q253-E260 PolarHBondContact NE2-O 2.75Å; S256-E260 PolarHBondContact O-N 3.14Å
261K94.7Very high90.3Very high42 Ų4251.6 Ų51.618%0.18328%0.276CS..  trans-71.9146-176.2-70.3-175.4-172.972.30111.7C254 C259 C291 I293 E295C254-K261 WeakPolarHBondContact CB-O 3.45Å; C254-K261 PolarHBondContact N-O 2.79Å; C259-K261 PolarHBondContact O-N 2.7Å; C259-K261 PolarHBondContact SG-NZ 3.26Å; K261-C291 PolarHBondContact NZ-O 3.25Å; K261-I293 WeakPolarHBondContact CD-O 3.44Å; K261-I293 WeakPolarHBondContact CE-O 3.39Å; K261-E295 VanDerWaalsContact CA-OE2 3.23Å; K261-E295 WeakPolarHBondContact CA-OE2 3.43Å; K261-E295 HydrophobicContact CB-CG 4.46Å; K261-E295 HydrophobicContact CD-CB 4.2Å; K261-E295 HydrophobicContact CG-CB 4.26Å
262W94.1Very high90.1Very high27 Ų2750.1 Ų50.110%0.10227%0.273CS..EExtended strand (participates in β ladder)trans-81.1144.3164.4-67.795.3000111.1K17 F19 W251 V252 Q253 E295 Y307K17-W262 WeakPolarHBondContact O-CZ2 3.48Å; F19-W262 HydrophobicContact CB-CH2 4.35Å; F19-W262 HydrophobicContact CB-CZ2 3.87Å; F19-W262 HydrophobicContact CD2-CB 4.38Å; F19-W262 AromaticContact CD2-CD2 3.56Å; F19-W262 HydrophobicContact CD2-CD2 3.56Å; F19-W262 AromaticContact CD2-CE2 3.83Å; F19-W262 AromaticContact CD2-CE3 3.84Å; F19-W262 HydrophobicContact CD2-CE3 3.84Å; F19-W262 AromaticContact CD2-CG 3.79Å; F19-W262 HydrophobicContact CD2-CG 3.79Å; F19-W262 HydrophobicContact CD2-CZ2 4.32Å; F19-W262 HydrophobicContact CD2-CZ3 4.32Å; F19-W262 HydrophobicContact CE2-CB 4.27Å; F19-W262 HydrophobicContact CE2-CD2 4.27Å; F19-W262 HydrophobicContact CE2-CE3 4.47Å; F19-W262 HydrophobicContact CE2-CG 4.16Å; W251-W262 HydrophobicContact CB-CE3 4.18Å; W251-W262 HydrophobicContact CE3-CB 4.04Å; W251-W262 HydrophobicContact CZ3-CB 4.44Å; V252-W262 VanDerWaalsContact C-CE3 3.44Å; V252-W262 WeakPolarHBondContact O-CA 3.43Å; Q253-W262 HydrophobicContact CB-CD2 4Å; Q253-W262 HydrophobicContact CB-CE3 3.91Å; Q253-W262 HydrophobicContact CB-CH2 3.91Å; Q253-W262 HydrophobicContact CB-CZ2 3.96Å; Q253-W262 HydrophobicContact CB-CZ3 3.88Å; Q253-W262 HydrophobicContact CG-CD2 4.08Å; Q253-W262 HydrophobicContact CG-CZ2 4.13Å; W262-E295 PolarHBondContact N-OE2 2.89Å; W262-Y307 HydrophobicContact CH2-CE1 4.3Å
263R94.1Very high89.9Confident0 Ų052.2 Ų52.20%029%0.286CS..EExtended strand (participates in β ladder)trans-133.8135.3178.9-68.1-62-175.8-147.91.8109.9W251 V252 W278 C280 Y288 R290 I293 P294 E296W251-R263 WeakPolarHBondContact CA-O 3.45Å; V252-R263 HydrophobicContact CG1-CB 4.24Å; V252-R263 PolarHBondContact N-O 2.87Å; V252-R263 PolarHBondContact O-N 2.8Å; R263-W278 HydrophobicContact CB-CH2 3.71Å; R263-W278 HydrophobicContact CB-CZ3 4.21Å; R263-W278 HydrophobicContact CG-CH2 3.81Å; R263-W278 HydrophobicContact CG-CZ3 4.15Å; R263-C280 PolarHBondContact NE-SG 3.44Å; R263-C280 VanDerWaalsContact NE-SG 3.45Å; R263-Y288 PolarHBondContact NE-O 3.14Å; R263-R290 PolarHBondContact NH2-O 2.98Å; R263-I293 PolarHBondContact NH2-O 2.86Å; R263-P294 PolarHBondContact NH1-O 3.44Å; R263-P294 PolarHBondContact NH2-O 3.03Å; R263-E296 VanDerWaalsContact CA-OE1 3.3Å; R263-E296 WeakPolarHBondContact CA-OE1 3.48Å; R263-E296 WeakPolarHBondContact CD-OE1 3.34Å; R263-E296 IonicContact NH1-OE1 3.68Å
264Q92.8Very high89.7Confident66 Ų6652.9 Ų52.931%0.30829%0.29SS..EExtended strand (participates in β ladder)trans-75.4135.9171.3-165.8178-3400109.1W251 E296W251-Q264 HydrophobicContact CD2-CB 4.23Å; W251-Q264 HydrophobicContact CE3-CB 4.28Å; W251-Q264 HydrophobicContact CH2-CB 4.13Å; W251-Q264 HydrophobicContact CZ2-CB 4.03Å; W251-Q264 HydrophobicContact CZ2-CG 4.26Å; W251-Q264 HydrophobicContact CZ3-CB 4.26Å; Q264-E296 VanDerWaalsContact CB-OE2 3.26Å; Q264-E296 WeakPolarHBondContact CB-OE2 3.44Å; Q264-E296 PolarHBondContact N-OE1 2.85Å; Q264-E296 VanDerWaalsContact N-OE1 3.16Å; Q264-E296 PolarHBondContact N-OE2 2.96Å
265L89.4Confident89.5Confident4 Ų455.6 Ų55.62%0.02131%0.307CS..EExtended strand (participates in β ladder)trans-94.7147.6167.5-64.7178.6000109.7I250 V252 I269 P271 L274 W278I250-L265 HydrophobicContact CB-CB 4.18Å; I250-L265 HydrophobicContact CG2-CB 4.19Å; I250-L265 HydrophobicContact CG2-CD1 3.9Å; I250-L265 HydrophobicContact CG2-CG 4.47Å; I250-L265 PolarHBondContact O-N 2.91Å; V252-L265 HydrophobicContact CB-CD1 4.1Å; V252-L265 HydrophobicContact CB-CG 4.3Å; V252-L265 HydrophobicContact CG1-CD1 4.02Å; V252-L265 HydrophobicContact CG1-CD2 3.74Å; V252-L265 HydrophobicContact CG1-CG 3.76Å; L265-I269 HydrophobicContact CB-CB 4.4Å; L265-I269 HydrophobicContact CB-CD1 4.35Å; L265-I269 HydrophobicContact CD1-CG2 4.2Å; L265-I269 HydrophobicContact CD2-CD1 4.06Å; L265-I269 HydrophobicContact CD2-CG2 4.34Å; L265-P271 HydrophobicContact CD1-CB 4.37Å; L265-L274 HydrophobicContact CD1-CD1 3.63Å; L265-L274 HydrophobicContact CD2-CD1 4.37Å; L265-W278 HydrophobicContact CD2-CZ2 4.36Å
266R82.6Confident89.2Confident128 Ų12859.7 Ų59.748%0.48332%0.324SS..PPolyproline II helixtrans-74.7149.7169-63-179.2177.6-164.9-1.9109.3D268 I269 D285R266-D268 WeakPolarHBondContact CB-OD1 3.16Å; R266-D268 PolarHBondContact O-N 2.93Å; R266-I269 HydrophobicContact CB-CD1 4.28Å; R266-I269 PolarHBondContact O-N 3.29Å; R266-D285 IonicContact CZ-OD2 3.41Å; R266-D285 IonicContact NE-OD2 2.71Å; R266-D285 PolarHBondContact NE-OD2 3.1Å; R266-D285 VanDerWaalsContact NE-OD2 3.14Å; R266-D285 IonicContact NH2-OD1 2.64Å; R266-D285 IonicContact NH2-OD2 3.82Å; R266-D285 PolarHBondContact NH2-OD2 2.9Å
267G72.3Confident89.2Confident53 Ų5363.2 Ų63.255%0.54634%0.34SS..THydrogen-bonded Turntrans-66.3-8.6-168.600000115.6I412G267-I412 WeakPolarHBondContact O-CG2 3.37Å
268D79.9Confident89.3Confident88 Ų8858.6 Ų58.647%0.47131%0.306SS..THydrogen-bonded Turntrans-80.2-16.9172.957.9-51.7000113.8R266 N411R266-D268 WeakPolarHBondContact CB-OD1 3.16Å; R266-D268 PolarHBondContact O-N 2.93Å; D268-N411 HydrophobicContact CB-CB 4.3Å
269I86.5Confident89.5Confident23 Ų2350.2 Ų50.212%0.11827%0.273CS..  trans-95124.1-171.6-51171.2000111.5L265 R266 P271 L274 P284 I412L265-I269 HydrophobicContact CB-CB 4.4Å; L265-I269 HydrophobicContact CB-CD1 4.35Å; L265-I269 HydrophobicContact CD1-CG2 4.2Å; L265-I269 HydrophobicContact CD2-CD1 4.06Å; L265-I269 HydrophobicContact CD2-CG2 4.34Å; R266-I269 HydrophobicContact CB-CD1 4.28Å; R266-I269 PolarHBondContact O-N 3.29Å; I269-P271 WeakPolarHBondContact O-CD 3.39Å; I269-L274 HydrophobicContact CG2-CD2 4.1Å; I269-P284 HydrophobicContact CD1-CB 4.48Å; I269-P284 HydrophobicContact CD1-CG 3.69Å; I269-I412 VanDerWaalsContact C-CD1 3.44Å; I269-I412 WeakPolarHBondContact O-CD1 3.49Å
270D88.9Confident89.6Confident6 Ų649.4 Ų49.43%0.03227%0.268CS..  trans-84.8112.3177.9-169.5-16000111.4S272 V273 S314 I412 R415D270-S272 PolarHBondContact O-N 2.77Å; D270-S272 VanDerWaalsContact O-N 3.1Å; D270-S272 WeakPolarHBondContact OD1-CB 3.08Å; D270-S272 PolarHBondContact OD1-N 2.83Å; D270-S272 PolarHBondContact OD1-OG 2.84Å; D270-S272 PolarHBondContact OD2-OG 2.84Å; D270-V273 HydrophobicContact CB-CG1 4.17Å; D270-V273 HydrophobicContact CB-CG2 4.07Å; D270-V273 WeakPolarHBondContact O-CG2 3.5Å; D270-V273 PolarHBondContact O-N 2.59Å; D270-V273 VanDerWaalsContact O-N 3.09Å; D270-S314 PolarHBondContact OD1-OG 2.87Å; D270-S314 WeakPolarHBondContact OD2-CA 3.48Å; D270-I412 HydrophobicContact CB-CD1 3.91Å; D270-I412 HydrophobicContact CB-CG1 4.42Å; D270-R415 IonicContact OD2-CZ 2.8Å; D270-R415 IonicContact OD2-NH2 3.85Å; D270-R415 PolarHBondContact OD2-NH2 3.23Å
271P89Confident89.6Confident33 Ų3350.4 Ų50.421%0.21428%0.275CS..THydrogen-bonded Turntrans-63-18.9178.827.4-35.2000112.5I250 L265 I269 V311I250-P271 HydrophobicContact CG2-CB 4.19Å; I250-P271 HydrophobicContact CG2-CG 3.96Å; L265-P271 HydrophobicContact CD1-CB 4.37Å; I269-P271 WeakPolarHBondContact O-CD 3.39Å; P271-V311 HydrophobicContact CG-CG1 3.72Å; P271-V311 HydrophobicContact CG-CG2 4.01Å
272S88.4Confident89.5Confident14 Ų1452.3 Ų52.310%0.09829%0.285CS..THydrogen-bonded Turntrans-78.2-21.5176.875.70000113.7D270 N374D270-S272 PolarHBondContact O-N 2.77Å; D270-S272 VanDerWaalsContact O-N 3.1Å; D270-S272 WeakPolarHBondContact OD1-CB 3.08Å; D270-S272 PolarHBondContact OD1-N 2.83Å; D270-S272 PolarHBondContact OD1-OG 2.84Å; D270-S272 PolarHBondContact OD2-OG 2.84Å; S272-N374 PolarHBondContact O-ND2 3.45Å
273V89.1Confident89.4Confident67 Ų6751.3 Ų51.341%0.40628%0.282SS..SBendtrans-92.4-0.1174.3-47.20000113D270D270-V273 HydrophobicContact CB-CG1 4.17Å; D270-V273 HydrophobicContact CB-CG2 4.07Å; D270-V273 WeakPolarHBondContact O-CG2 3.5Å; D270-V273 PolarHBondContact O-N 2.59Å; D270-V273 VanDerWaalsContact O-N 3.09Å
274L90.4Very high89.2Confident43 Ų4355 Ų5523%0.22531%0.306CS..SBendtrans-75.9140174.3-61.4-175.1000110.8V252 L265 I269 W278V252-L274 HydrophobicContact CG2-CD1 4.21Å; L265-L274 HydrophobicContact CD1-CD1 3.63Å; L265-L274 HydrophobicContact CD2-CD1 4.37Å; I269-L274 HydrophobicContact CG2-CD2 4.1Å; L274-W278 HydrophobicContact CD1-CG 4.34Å
275P90.6Very high89.1Confident57 Ų5753.1 Ų53.137%0.3730%0.298SS..  trans-74.2149.9-179.732.5-36.9000111.6N277 W278P275-N277 WeakPolarHBondContact CB-OD1 3.03Å; P275-N277 PolarHBondContact O-N 3.5Å; P275-W278 VanDerWaalsContact O-CB 3.29Å; P275-W278 WeakPolarHBondContact O-CB 3.48Å; P275-W278 PolarHBondContact O-N 3.06Å
276D88.3Confident89.2Confident155 Ų15559.3 Ų59.383%0.82933%0.33SS*.THydrogen-bonded Turntrans-53.6-29.9-179.6-81.8-52.7000114S255 W278S255-D276 WeakPolarHBondContact CB-O 3.36Å; S255-D276 PolarHBondContact OG-O 2.93Å; D276-W278 VanDerWaalsContact C-N 3.29Å; D276-W278 PolarHBondContact O-N 2.77Å
277N92.2Very high89.6Confident118 Ų11858.4 Ų58.463%0.63134%0.335SS*.THydrogen-bonded Turntrans-88.418.1178.272.7-58.1000114.1P275P275-N277 WeakPolarHBondContact CB-OD1 3.03Å; P275-N277 PolarHBondContact O-N 3.5Å
278W94.4Very high90.6Very high6 Ų659.7 Ų59.72%0.02332%0.324CS..  trans-51.2138-178.2-173.192.9000113V252 C254 S255 R263 L265 L274 P275 D276 N283V252-W278 HydrophobicContact CB-CE3 4.48Å; V252-W278 HydrophobicContact CB-CZ3 4.5Å; V252-W278 HydrophobicContact CG1-CD2 4.13Å; V252-W278 HydrophobicContact CG1-CE3 3.8Å; V252-W278 HydrophobicContact CG1-CH2 3.48Å; V252-W278 VanDerWaalsContact CG1-CH2 3.48Å; V252-W278 HydrophobicContact CG1-CZ2 3.79Å; V252-W278 HydrophobicContact CG1-CZ3 3.48Å; V252-W278 VanDerWaalsContact CG1-CZ3 3.48Å; V252-W278 HydrophobicContact CG2-CD2 4.12Å; V252-W278 HydrophobicContact CG2-CE3 3.86Å; V252-W278 HydrophobicContact CG2-CZ3 4.34Å; C254-W278 HydrophobicContact CB-CZ3 4.2Å; S255-W278 WeakPolarHBondContact CB-O 3.5Å; S255-W278 PolarHBondContact N-O 2.71Å; R263-W278 HydrophobicContact CB-CH2 3.71Å; R263-W278 HydrophobicContact CB-CZ3 4.21Å; R263-W278 HydrophobicContact CG-CH2 3.81Å; R263-W278 HydrophobicContact CG-CZ3 4.15Å; L265-W278 HydrophobicContact CD2-CZ2 4.36Å; L274-W278 HydrophobicContact CD1-CG 4.34Å; P275-W278 VanDerWaalsContact O-CB 3.29Å; P275-W278 WeakPolarHBondContact O-CB 3.48Å; P275-W278 PolarHBondContact O-N 3.06Å; D276-W278 VanDerWaalsContact C-N 3.29Å; D276-W278 PolarHBondContact O-N 2.77Å; W278-N283 HydrophobicContact CH2-CB 4.08Å; W278-N283 HydrophobicContact CZ2-CB 3.77Å
279S95.4Very high91.3Very high24 Ų2457.6 Ų57.617%0.16831%0.312CS..  trans-133.7160.5-174.6620000111.8D281 Q282S279-D281 PolarHBondContact O-N 3.05Å; S279-D281 VanDerWaalsContact O-N 3.07Å; S279-Q282 WeakPolarHBondContact O-CB 3.28Å; S279-Q282 PolarHBondContact O-N 3.18Å; S279-Q282 PolarHBondContact OG-OE1 3.3Å
280C95.1Very high91.7Very high0 Ų062.7 Ų62.70%033%0.33CS..G310 helixtrans-53.4-33.8178.3-640000112C254 R263 Q282 N283 N289 R290C254-C280 PolarHBondContact SG-N 3Å; C254-C280 VanDerWaalsContact SG-N 3.44Å; C254-C280 VanDerWaalsContact SG-SG 3.68Å; R263-C280 PolarHBondContact NE-SG 3.44Å; R263-C280 VanDerWaalsContact NE-SG 3.45Å; C280-Q282 PolarHBondContact O-N 2.82Å; C280-N283 VanDerWaalsContact O-CB 3.32Å; C280-N283 WeakPolarHBondContact O-CB 3.27Å; C280-N283 PolarHBondContact O-N 3.22Å; C280-N289 CarbonylContact O-C 3.47Å; C280-N289 WeakPolarHBondContact O-CA 3.44Å; C280-R290 WeakPolarHBondContact CB-O 3.2Å
281D93.6Very high92Very high104 Ų10464.2 Ų64.256%0.55634%0.341SS*.G310 helixtrans-67.7-4.9-178.5-45.1-21.4000112.8S279 N289 R290S279-D281 PolarHBondContact O-N 3.05Å; S279-D281 VanDerWaalsContact O-N 3.07Å; D281-N289 VanDerWaalsContact CA-O 3.3Å; D281-N289 WeakPolarHBondContact CA-O 3.2Å; D281-R290 WeakPolarHBondContact OD1-CA 3.45Å
282Q92.3Very high92.3Very high83 Ų8367.7 Ų67.739%0.38836%0.358SS..G310 helixtrans-111.18.7173.8-60.5165.6-92.500113S279 C280 P284S279-Q282 WeakPolarHBondContact O-CB 3.28Å; S279-Q282 PolarHBondContact O-N 3.18Å; S279-Q282 PolarHBondContact OG-OE1 3.3Å; C280-Q282 PolarHBondContact O-N 2.82Å; Q282-P284 WeakPolarHBondContact O-CD 3.46Å
283N92.9Very high92.5Very high6 Ų668.8 Ų68.83%0.03236%0.362CS..  trans-78.7126.7171.2-171.7-3.4000110W278 C280 D285 N289W278-N283 HydrophobicContact CH2-CB 4.08Å; W278-N283 HydrophobicContact CZ2-CB 3.77Å; C280-N283 VanDerWaalsContact O-CB 3.32Å; C280-N283 WeakPolarHBondContact O-CB 3.27Å; C280-N283 PolarHBondContact O-N 3.22Å; N283-D285 PolarHBondContact O-N 3.04Å; N283-D285 PolarHBondContact OD1-N 3.09Å; N283-N289 HydrophobicContact CB-CB 4.35Å; N283-N289 WeakPolarHBondContact O-CB 3.47Å
284P90.1Very high92.8Very high78 Ų7870.2 Ų70.251%0.50637%0.373SS..SBendtrans-64.1-20172.7-25.938.1000114.6I269 Q282 L286I269-P284 HydrophobicContact CD1-CB 4.48Å; I269-P284 HydrophobicContact CD1-CG 3.69Å; Q282-P284 WeakPolarHBondContact O-CD 3.46Å; P284-L286 PolarHBondContact O-N 3.16Å
285D90.4Very high92.9Very high26 Ų2670.8 Ų70.814%0.13937%0.374CS..  trans-77.1104.3176.4-156.1-57.4000112.3R266 N283 N287 Y288 N289R266-D285 IonicContact CZ-OD2 3.41Å; R266-D285 IonicContact NE-OD2 2.71Å; R266-D285 PolarHBondContact NE-OD2 3.1Å; R266-D285 VanDerWaalsContact NE-OD2 3.14Å; R266-D285 IonicContact NH2-OD1 2.64Å; R266-D285 IonicContact NH2-OD2 3.82Å; R266-D285 PolarHBondContact NH2-OD2 2.9Å; N283-D285 PolarHBondContact O-N 3.04Å; N283-D285 PolarHBondContact OD1-N 3.09Å; D285-N287 PolarHBondContact O-N 2.8Å; D285-N287 VanDerWaalsContact OD1-CB 3.29Å; D285-N287 WeakPolarHBondContact OD1-CB 3.41Å; D285-N287 PolarHBondContact OD1-N 3.43Å; D285-N287 PolarHBondContact OD1-ND2 2.79Å; D285-Y288 CarbonylContact O-C 3.46Å; D285-Y288 PolarHBondContact O-N 2.69Å; D285-N289 WeakPolarHBondContact O-CB 3.5Å; D285-N289 PolarHBondContact O-N 3.05Å
286L90.3Very high93Very high133 Ų13369 Ų6970%0.69636%0.361SS*.THydrogen-bonded Turntrans-57.3-17.8179.9-56.1-178.7000114.4P284 Y288 N289P284-L286 PolarHBondContact O-N 3.16Å; L286-Y288 VanDerWaalsContact C-N 3.31Å; L286-N289 WeakPolarHBondContact CD2-ND2 3.46Å; L286-N289 PolarHBondContact O-OD1 3.04Å
287N92.7Very high93Very high109 Ų10967.1 Ų67.158%0.58336%0.355SS*.THydrogen-bonded Turntrans-79-16.4175.4-56.1-78.9000112.7D285 I293D285-N287 PolarHBondContact O-N 2.8Å; D285-N287 VanDerWaalsContact OD1-CB 3.29Å; D285-N287 WeakPolarHBondContact OD1-CB 3.41Å; D285-N287 PolarHBondContact OD1-N 3.43Å; D285-N287 PolarHBondContact OD1-ND2 2.79Å; N287-I293 WeakPolarHBondContact O-CG2 3.15Å
288Y92.8Very high92.6Very high81 Ų8163.4 Ų63.432%0.31833%0.332SS..THydrogen-bonded Turntrans-137.912.1-174.8-60.3-66.8000113.7R263 D285 L286 R290 I293 E296R263-Y288 PolarHBondContact NE-O 3.14Å; D285-Y288 CarbonylContact O-C 3.46Å; D285-Y288 PolarHBondContact O-N 2.69Å; L286-Y288 VanDerWaalsContact C-N 3.31Å; Y288-R290 PolarHBondContact O-N 2.73Å; Y288-I293 HydrophobicContact CD1-CG2 3.73Å; Y288-I293 HydrophobicContact CE1-CG2 4.23Å; Y288-E296 HydrophobicContact CD1-CG 3.5Å; Y288-E296 VanDerWaalsContact CD2-CD 3.42Å; Y288-E296 HydrophobicContact CD2-CG 3.65Å; Y288-E296 HydrophobicContact CE1-CG 3.44Å; Y288-E296 VanDerWaalsContact CE1-CG 3.44Å; Y288-E296 HydrophobicContact CE2-CG 3.59Å; Y288-E296 HydrophobicContact CG-CG 3.61Å; Y288-E296 VanDerWaalsContact CZ-CG 3.49Å
289N94.1Very high92Very high43 Ų4369.6 Ų69.623%0.2337%0.371CS..  trans-78.424.9-176.376-17.5000116C280 D281 N283 D285 L286C280-N289 CarbonylContact O-C 3.47Å; C280-N289 WeakPolarHBondContact O-CA 3.44Å; D281-N289 VanDerWaalsContact CA-O 3.3Å; D281-N289 WeakPolarHBondContact CA-O 3.2Å; N283-N289 HydrophobicContact CB-CB 4.35Å; N283-N289 WeakPolarHBondContact O-CB 3.47Å; D285-N289 WeakPolarHBondContact O-CB 3.5Å; D285-N289 PolarHBondContact O-N 3.05Å; L286-N289 WeakPolarHBondContact CD2-ND2 3.46Å; L286-N289 PolarHBondContact O-OD1 3.04Å
290R95.3Very high91.3Very high131 Ų13170.3 Ų70.349%0.49438%0.382SS..SBendtrans-146.2155.3178.9-61.6167.859107.4-4.5112.3R263 C280 D281 Y288 D292 I293R263-R290 PolarHBondContact NH2-O 2.98Å; C280-R290 WeakPolarHBondContact CB-O 3.2Å; D281-R290 WeakPolarHBondContact OD1-CA 3.45Å; Y288-R290 PolarHBondContact O-N 2.73Å; R290-D292 WeakPolarHBondContact CB-OD1 3.33Å; R290-D292 IonicContact CZ-OD1 3.33Å; R290-D292 IonicContact CZ-OD2 3.98Å; R290-D292 IonicContact NE-OD1 2.92Å; R290-D292 PolarHBondContact NE-OD1 2.95Å; R290-D292 IonicContact NE-OD2 3.27Å; R290-D292 PolarHBondContact NE-OD2 2.64Å; R290-D292 IonicContact NH2-OD1 3.14Å; R290-D292 IonicContact NH2-OD2 2.69Å; R290-D292 PolarHBondContact NH2-OD2 3.26Å; R290-I293 HydrophobicContact CB-CD1 3.82Å; R290-I293 HydrophobicContact CB-CG1 4.04Å; R290-I293 HydrophobicContact CG-CD1 4.21Å
291C95.4Very high90.6Very high37 Ų3773.8 Ų73.825%0.2541%0.406CS..SBendtrans-75.2-19.1178.5-64.60000114.6C259 K261C259-C291 HydrophobicContact CB-CB 4.09Å; K261-C291 PolarHBondContact NZ-O 3.25Å
292D94.3Very high90Very high107 Ų10774.3 Ų74.357%0.57241%0.405SS*.SBendtrans-84.1-25.6178.652.42.1000113.5R290R290-D292 WeakPolarHBondContact CB-OD1 3.33Å; R290-D292 IonicContact CZ-OD1 3.33Å; R290-D292 IonicContact CZ-OD2 3.98Å; R290-D292 IonicContact NE-OD1 2.92Å; R290-D292 PolarHBondContact NE-OD1 2.95Å; R290-D292 IonicContact NE-OD2 3.27Å; R290-D292 PolarHBondContact NE-OD2 2.64Å; R290-D292 IonicContact NH2-OD1 3.14Å; R290-D292 IonicContact NH2-OD2 2.69Å; R290-D292 PolarHBondContact NH2-OD2 3.26Å
293I93.8Very high89.2Confident36 Ų3675 Ų7519%0.18542%0.419CS..SBendtrans-64138.7173.3-59.9170000110.4K261 R263 N287 Y288 R290K261-I293 WeakPolarHBondContact CD-O 3.44Å; K261-I293 WeakPolarHBondContact CE-O 3.39Å; R263-I293 PolarHBondContact NH2-O 2.86Å; N287-I293 WeakPolarHBondContact O-CG2 3.15Å; Y288-I293 HydrophobicContact CD1-CG2 3.73Å; Y288-I293 HydrophobicContact CE1-CG2 4.23Å; R290-I293 HydrophobicContact CB-CD1 3.82Å; R290-I293 HydrophobicContact CB-CG1 4.04Å; R290-I293 HydrophobicContact CG-CD1 4.21Å
294P93.8Very high88.7Confident97 Ų9779.9 Ų79.963%0.6345%0.445SS*.PPolyproline II helixtrans-51.2159.2173.4-28.436.3000114.8R263R263-P294 PolarHBondContact NH1-O 3.44Å; R263-P294 PolarHBondContact NH2-O 3.03Å
295E93.9Very high88.6Confident55 Ų5578.1 Ų78.126%0.25743%0.432SS..PPolyproline II helixtrans-70.8148.7171.5-170.1164.76300110.4K17 K261 W262K17-E295 IonicContact NZ-OE2 3.95Å; K261-E295 VanDerWaalsContact CA-OE2 3.23Å; K261-E295 WeakPolarHBondContact CA-OE2 3.43Å; K261-E295 HydrophobicContact CB-CG 4.46Å; K261-E295 HydrophobicContact CD-CB 4.2Å; K261-E295 HydrophobicContact CG-CB 4.26Å; W262-E295 PolarHBondContact N-OE2 2.89Å
296E92.3Very high88.5Confident20 Ų2078.6 Ų78.69%0.09344%0.44CS..PPolyproline II helixtrans-77.6142.6-179.9-72157-95.300111.2W251 R263 Q264 Y288W251-E296 HydrophobicContact CH2-CB 3.63Å; W251-E296 HydrophobicContact CZ3-CB 3.77Å; R263-E296 VanDerWaalsContact CA-OE1 3.3Å; R263-E296 WeakPolarHBondContact CA-OE1 3.48Å; R263-E296 WeakPolarHBondContact CD-OE1 3.34Å; R263-E296 IonicContact NH1-OE1 3.68Å; Q264-E296 VanDerWaalsContact CB-OE2 3.26Å; Q264-E296 WeakPolarHBondContact CB-OE2 3.44Å; Q264-E296 PolarHBondContact N-OE1 2.85Å; Q264-E296 VanDerWaalsContact N-OE1 3.16Å; Q264-E296 PolarHBondContact N-OE2 2.96Å; Y288-E296 HydrophobicContact CD1-CG 3.5Å; Y288-E296 VanDerWaalsContact CD2-CD 3.42Å; Y288-E296 HydrophobicContact CD2-CG 3.65Å; Y288-E296 HydrophobicContact CE1-CG 3.44Å; Y288-E296 VanDerWaalsContact CE1-CG 3.44Å; Y288-E296 HydrophobicContact CE2-CG 3.59Å; Y288-E296 HydrophobicContact CG-CG 3.61Å; Y288-E296 VanDerWaalsContact CZ-CG 3.49Å
297T87.6Confident88.5Confident115 Ų11575.3 Ų75.371%0.70642%0.419SS*.  trans-90113.3-179.652.90000111.5P22P22-T297 HydrophobicContact CB-CG2 4.49Å
298W84.4Confident88.3Confident40 Ų4071.8 Ų71.815%0.15241%0.405CS..  trans-96.7146.9171.4173.689.6000111.4F19 W251 G300 C301 V305F19-W298 AromaticContact CE1-CD2 3.87Å; F19-W298 HydrophobicContact CE1-CD2 3.87Å; F19-W298 AromaticContact CE1-CE3 3.7Å; F19-W298 HydrophobicContact CE1-CE3 3.7Å; F19-W298 HydrophobicContact CE1-CG 4.36Å; F19-W298 HydrophobicContact CE1-CH2 4.32Å; F19-W298 AromaticContact CE1-CZ3 3.94Å; F19-W298 HydrophobicContact CE1-CZ3 3.94Å; F19-W298 HydrophobicContact CZ-CB 4.06Å; F19-W298 AromaticContact CZ-CD2 3.98Å; F19-W298 HydrophobicContact CZ-CD2 3.98Å; F19-W298 HydrophobicContact CZ-CE3 4.19Å; F19-W298 AromaticContact CZ-CG 3.98Å; F19-W298 HydrophobicContact CZ-CG 3.98Å; W251-W298 HydrophobicContact CH2-CB 4.06Å; W251-W298 HydrophobicContact CZ2-CB 3.81Å; W251-W298 AromaticContact CZ2-CD1 3.99Å; W251-W298 HydrophobicContact CZ2-CG 4.27Å; W251-W298 AromaticContact NE1-CD1 3.91Å; W298-G300 VanDerWaalsContact CZ2-CA 3.49Å; W298-G300 WeakPolarHBondContact CZ3-O 3.29Å; W298-C301 VanDerWaalsContact CH2-O 3.26Å; W298-C301 WeakPolarHBondContact CH2-O 3.41Å; W298-V305 HydrophobicContact CH2-CG2 3.39Å; W298-V305 HydrophobicContact CZ2-CG2 3.51Å; W298-V305 HydrophobicContact CZ3-CG2 4.31Å
299T82.1Confident88.2Confident136 Ų13671.2 Ų71.283%0.83441%0.413SS*.  trans-13125.7-16864.90000114.1
300G81.3Confident88.2Confident39 Ų3970.1 Ų70.140%0.40241%0.406SS..SBendtrans-89-173.6174.300000113.1W298W298-G300 VanDerWaalsContact CZ2-CA 3.49Å; W298-G300 WeakPolarHBondContact CZ3-O 3.29Å
301C80.1Confident88.1Confident74 Ų7464.4 Ų64.450%0.539%0.385SS..  trans-96.6143.5172.3-172.40000110.3W298 S303 D304W298-C301 VanDerWaalsContact CH2-O 3.26Å; W298-C301 WeakPolarHBondContact CH2-O 3.41Å; C301-S303 WeakPolarHBondContact CB-OG 3.36Å; C301-S303 PolarHBondContact O-N 2.71Å; C301-S303 PolarHBondContact SG-OG 2.86Å; C301-D304 WeakPolarHBondContact CB-OD2 3.4Å; C301-D304 PolarHBondContact N-OD2 3.08Å; C301-D304 VanDerWaalsContact O-CB 3.22Å; C301-D304 WeakPolarHBondContact O-CB 3.44Å; C301-D304 PolarHBondContact O-N 2.89Å
302E79.8Confident88Confident115 Ų11563 Ų6354%0.53738%0.375SS..G310 helixtrans-64.9-16-174.4-58.9-168.6155.300113.4S21 D304S21-E302 VanDerWaalsContact CB-OE1 3.31Å; S21-E302 WeakPolarHBondContact CB-OE1 3.46Å; S21-E302 PolarHBondContact N-OE1 3.38Å; S21-E302 PolarHBondContact OG-OE1 3.49Å; E302-D304 PolarHBondContact O-N 3.18Å
303S76.6Confident88Confident97 Ų9757.9 Ų57.968%0.67835%0.348SS*.G310 helixtrans-60.5-24.8165.846.40000114.4C301 V305C301-S303 WeakPolarHBondContact CB-OG 3.36Å; C301-S303 PolarHBondContact O-N 2.71Å; C301-S303 PolarHBondContact SG-OG 2.86Å; S303-V305 VanDerWaalsContact C-N 3.3Å
304D82.6Confident88Confident109 Ų10956.2 Ų56.258%0.58334%0.339SS*.G310 helixtrans-91.82-168.7-40.4-20.7000111.2C301 E302C301-D304 WeakPolarHBondContact CB-OD2 3.4Å; C301-D304 PolarHBondContact N-OD2 3.08Å; C301-D304 VanDerWaalsContact O-CB 3.22Å; C301-D304 WeakPolarHBondContact O-CB 3.44Å; C301-D304 PolarHBondContact O-N 2.89Å; E302-D304 PolarHBondContact O-N 3.18Å
305V86.9Confident88.2Confident40 Ų4051.9 Ų51.924%0.24231%0.311CS..  trans-103.5102.5-173-176.10000111F19 W298 S303 Y307F19-V305 HydrophobicContact CB-CG1 4.19Å; F19-V305 HydrophobicContact CD1-CG1 4Å; F19-V305 HydrophobicContact CD1-CG2 4.05Å; F19-V305 HydrophobicContact CE1-CG2 4.15Å; F19-V305 HydrophobicContact CG-CG1 4.17Å; W298-V305 HydrophobicContact CH2-CG2 3.39Å; W298-V305 HydrophobicContact CZ2-CG2 3.51Å; W298-V305 HydrophobicContact CZ3-CG2 4.31Å; S303-V305 VanDerWaalsContact C-N 3.3Å; V305-Y307 HydrophobicContact CG1-CE2 4.4Å
306A88.1Confident88.3Confident36 Ų3649.3 Ų49.330%0.29830%0.299SS..  trans-99.1133.6172.600000111.7A308 F340 F342A306-A308 VanDerWaalsContact C-N 3.32Å; A306-A308 PolarHBondContact O-N 2.83Å; A306-F340 HydrophobicContact CB-CE1 4.39Å; A306-F340 HydrophobicContact CB-CE2 3.93Å; A306-F340 HydrophobicContact CB-CZ 3.6Å; A306-F342 HydrophobicContact CB-CZ 3.96Å
307Y90.1Very high88.5Confident65 Ų6548.4 Ų48.426%0.25530%0.295SS..  trans-85.775.7174.9-64.3-100.4000110T18 F19 W262 V305 S348 L349 P350T18-Y307 WeakPolarHBondContact CG2-OH 3.43Å; F19-Y307 HydrophobicContact CB-CE1 4.32Å; F19-Y307 WeakPolarHBondContact CB-OH 3.46Å; F19-Y307 PolarHBondContact N-OH 3.42Å; W262-Y307 HydrophobicContact CH2-CE1 4.3Å; V305-Y307 HydrophobicContact CG1-CE2 4.4Å; Y307-S348 WeakPolarHBondContact CB-O 3.47Å; Y307-S348 PolarHBondContact N-O 3.27Å; Y307-S348 VanDerWaalsContact N-O 3.1Å; Y307-L349 WeakPolarHBondContact O-CD2 3.32Å; Y307-P350 WeakPolarHBondContact O-CD 3.3Å
308A90.1Very high89Confident35 Ų3543 Ų4329%0.28926%0.262SS..  trans-78.4148176.600000112.3A306 Y310 Y353A306-A308 VanDerWaalsContact C-N 3.32Å; A306-A308 PolarHBondContact O-N 2.83Å; A308-Y310 WeakPolarHBondContact CB-O 3.44Å; A308-Y353 WeakPolarHBondContact CA-OH 3.35Å; A308-Y353 HydrophobicContact CB-CE1 4.4Å
309S90.1Very high89.5Confident68 Ų6843.9 Ų43.948%0.47627%0.266SS..SBendtrans-98.1-14.8168.8-58.20000112.5Y353S309-Y353 PolarHBondContact N-OH 3.01Å
310Y93.5Very high90Very high21 Ų2141.1 Ų41.18%0.08224%0.244CC..  trans-141.8145.8-177-50.7-69.5000108.3A308 V316 I330 Y353 L372 N374A308-Y310 WeakPolarHBondContact CB-O 3.44Å; Y310-V316 HydrophobicContact CD1-CG1 3.6Å; Y310-V316 HydrophobicContact CD2-CG1 4.4Å; Y310-V316 HydrophobicContact CE1-CG1 3.6Å; Y310-V316 HydrophobicContact CE2-CG1 4.39Å; Y310-V316 HydrophobicContact CG-CG1 4.03Å; Y310-I330 HydrophobicContact CG-CG1 4.4Å; Y310-Y353 HydrophobicContact CD2-CD2 4.21Å; Y310-Y353 HydrophobicContact CD2-CE1 4.5Å; Y310-Y353 AromaticContact CD2-CE2 3.93Å; Y310-Y353 HydrophobicContact CD2-CE2 3.93Å; Y310-Y353 VanDerWaalsContact O-CE1 3.31Å; Y310-Y353 WeakPolarHBondContact O-CE1 3.5Å; Y310-L372 HydrophobicContact CD2-CD1 4.3Å; Y310-L372 HydrophobicContact CE2-CB 4.07Å; Y310-L372 HydrophobicContact CE2-CD1 4.16Å; Y310-N374 PolarHBondContact OH-N 2.76Å
311V93.3Very high90.4Very high11 Ų1148.4 Ų48.47%0.06726%0.261CS..  trans-121169.1179.4-63.30000109.5I250 P271 G313 S314 I330 I412I250-V311 HydrophobicContact CD1-CB 4.3Å; I250-V311 HydrophobicContact CD1-CG1 4.07Å; I250-V311 HydrophobicContact CD1-CG2 3.98Å; I250-V311 HydrophobicContact CG1-CG1 4.2Å; P271-V311 HydrophobicContact CG-CG1 3.72Å; P271-V311 HydrophobicContact CG-CG2 4.01Å; V311-G313 PolarHBondContact O-N 2.78Å; V311-S314 WeakPolarHBondContact CG2-OG 3.37Å; V311-S314 PolarHBondContact N-OG 3.43Å; V311-S314 VanDerWaalsContact O-CB 3.3Å; V311-S314 WeakPolarHBondContact O-CB 3.42Å; V311-S314 PolarHBondContact O-N 3.42Å; V311-S314 PolarHBondContact O-OG 2.85Å; V311-I330 WeakPolarHBondContact O-CB 3.46Å; V311-I412 HydrophobicContact CG2-CD1 4.39Å
312P93.7Very high90.8Very high7 Ų749 Ų495%0.04528%0.28CS..THydrogen-bonded Turntrans-54.7133.1171.3-22.434.9000109.9F245 I330 Y339F245-P312 HydrophobicContact CE1-CB 3.77Å; F245-P312 WeakPolarHBondContact CE1-O 3.38Å; F245-P312 HydrophobicContact CZ-CB 4.01Å; F245-P312 VanDerWaalsContact CZ-O 3.3Å; F245-P312 WeakPolarHBondContact CZ-O 3.3Å; P312-I330 CarbonylContact C-O 3.11Å; P312-I330 WeakPolarHBondContact CA-O 3.3Å; P312-Y339 HydrophobicContact CG-CD1 3.7Å; P312-Y339 HydrophobicContact CG-CD2 3.99Å; P312-Y339 HydrophobicContact CG-CE1 3.97Å; P312-Y339 HydrophobicContact CG-CE2 4.24Å; P312-Y339 HydrophobicContact CG-CG 3.71Å
313G93.8Very high91.2Very high0 Ų049.6 Ų49.60%028%0.278CS..THydrogen-bonded Turntrans90.3-18.3-17000000115.5V311 I315 I330 R415 V416V311-G313 PolarHBondContact O-N 2.78Å; G313-I315 PolarHBondContact O-N 2.74Å; G313-I330 PolarHBondContact N-O 3.24Å; G313-R415 VanDerWaalsContact O-CZ 3.24Å; G313-R415 PolarHBondContact O-NE 3.5Å; G313-R415 PolarHBondContact O-NH2 2.9Å; G313-V416 VanDerWaalsContact CA-CG2 3.45Å
314S95.2Very high91.9Very high0 Ų045.6 Ų45.60%025%0.25CC..  trans-61.5134.6178.3-68.40000111.8D270 V311 M329 I330D270-S314 PolarHBondContact OD1-OG 2.87Å; D270-S314 WeakPolarHBondContact OD2-CA 3.48Å; V311-S314 WeakPolarHBondContact CG2-OG 3.37Å; V311-S314 PolarHBondContact N-OG 3.43Å; V311-S314 VanDerWaalsContact O-CB 3.3Å; V311-S314 WeakPolarHBondContact O-CB 3.42Å; V311-S314 PolarHBondContact O-N 3.42Å; V311-S314 PolarHBondContact O-OG 2.85Å; S314-M329 CarbonylContact O-C 3.59Å; S314-M329 WeakPolarHBondContact O-CA 3.3Å; S314-I330 PolarHBondContact O-N 3.02Å
315I96.5Very high92.5Very high7 Ų743.2 Ų43.24%0.03623%0.233CC..EExtended strand (participates in β ladder)trans-94131-177.6-55.8-178000109.2G313 F358 F375 A404 A407 E408G313-I315 PolarHBondContact O-N 2.74Å; I315-F358 HydrophobicContact CG2-CE2 4.03Å; I315-F375 HydrophobicContact CB-CB 4.16Å; I315-F375 HydrophobicContact CB-CG 4.39Å; I315-F375 HydrophobicContact CG2-CB 3.71Å; I315-F375 HydrophobicContact CG2-CD1 3.72Å; I315-F375 HydrophobicContact CG2-CD2 3.84Å; I315-F375 HydrophobicContact CG2-CE1 4.27Å; I315-F375 HydrophobicContact CG2-CE2 4.42Å; I315-F375 HydrophobicContact CG2-CG 3.48Å; I315-F375 VanDerWaalsContact CG2-CG 3.48Å; I315-F375 WeakPolarHBondContact O-CB 3.48Å; I315-F375 PolarHBondContact O-N 2.95Å; I315-A404 HydrophobicContact CG2-CB 4.43Å; I315-A407 HydrophobicContact CD1-CB 3.8Å; I315-E408 HydrophobicContact CD1-CB 3.87Å
316V96.8Very high92.9Very high0 Ų043.1 Ų43.10%023%0.228CC..EExtended strand (participates in β ladder)trans-138.2154.2-172-66.20000112.1Y310 P327 G328 I330 V355 L372 K373Y310-V316 HydrophobicContact CD1-CG1 3.6Å; Y310-V316 HydrophobicContact CD2-CG1 4.4Å; Y310-V316 HydrophobicContact CE1-CG1 3.6Å; Y310-V316 HydrophobicContact CE2-CG1 4.39Å; Y310-V316 HydrophobicContact CG-CG1 4.03Å; V316-P327 WeakPolarHBondContact O-CA 3.1Å; V316-G328 PolarHBondContact N-O 2.9Å; V316-G328 PolarHBondContact O-N 2.83Å; V316-G328 VanDerWaalsContact O-O 3.1Å; V316-I330 HydrophobicContact CG1-CD1 4.15Å; V316-I330 HydrophobicContact CG1-CG1 4.13Å; V316-I330 HydrophobicContact CG2-CD1 3.7Å; V316-I330 HydrophobicContact CG2-CG1 4.32Å; V316-V355 HydrophobicContact CG2-CG1 4.17Å; V316-L372 HydrophobicContact CG2-CD2 4.16Å; V316-K373 WeakPolarHBondContact CA-O 3.36Å; V316-K373 WeakPolarHBondContact CB-O 3.22Å
317W97.1Very high93.3Very high2 Ų241.4 Ų41.41%0.00821%0.214CC..EExtended strand (participates in β ladder)trans-88.2121.3157.2-69101000109W325 P327 L372 K373 F375 L378 V383 L397 I401W317-W325 HydrophobicContact CB-CE3 3.89Å; W317-W325 HydrophobicContact CE3-CB 4.09Å; W317-W325 WeakPolarHBondContact O-CZ3 3.49Å; W317-P327 HydrophobicContact CE3-CB 4.27Å; W317-P327 HydrophobicContact CZ3-CB 4.24Å; W317-P327 HydrophobicContact CZ3-CG 4.31Å; W317-L372 WeakPolarHBondContact O-CA 3.45Å; W317-K373 HydrophobicContact CB-CB 4.22Å; W317-K373 PolarHBondContact N-O 3.27Å; W317-K373 PolarHBondContact O-N 3.25Å; W317-F375 VanDerWaalsContact CD1-CA 3.49Å; W317-F375 AromaticContact CD1-CD2 3.93Å; W317-F375 HydrophobicContact CD2-CD2 4.33Å; W317-F375 AromaticContact CE2-CD2 3.72Å; W317-F375 AromaticContact CE2-CE2 3.78Å; W317-F375 HydrophobicContact CG-CD2 4.44Å; W317-F375 HydrophobicContact CZ2-CD2 4.19Å; W317-F375 AromaticContact CZ2-CE2 3.76Å; W317-F375 HydrophobicContact CZ2-CE2 3.76Å; W317-F375 AromaticContact NE1-CD2 3.39Å; W317-F375 AromaticContact NE1-CE2 3.88Å; W317-F375 PolarHBondContact NE1-O 3.01Å; W317-L378 HydrophobicContact CB-CD1 3.72Å; W317-L378 HydrophobicContact CB-CG 4.45Å; W317-L378 HydrophobicContact CD2-CB 4.29Å; W317-L378 HydrophobicContact CD2-CD1 3.98Å; W317-L378 HydrophobicContact CE3-CD1 4.48Å; W317-L378 HydrophobicContact CG-CB 4.19Å; W317-L378 HydrophobicContact CG-CD1 3.61Å; W317-L378 HydrophobicContact CG-CG 4.07Å; W317-V383 HydrophobicContact CD2-CG2 4.47Å; W317-V383 HydrophobicContact CE3-CG2 4.19Å; W317-V383 HydrophobicContact CH2-CB 4.4Å; W317-V383 HydrophobicContact CH2-CG1 4.21Å; W317-V383 HydrophobicContact CH2-CG2 3.77Å; W317-V383 HydrophobicContact CZ2-CG2 4.11Å; W317-V383 HydrophobicContact CZ3-CB 4.38Å; W317-V383 HydrophobicContact CZ3-CG1 3.79Å; W317-V383 HydrophobicContact CZ3-CG2 3.82Å; W317-L397 HydrophobicContact CZ3-CD1 4.45Å; W317-I401 HydrophobicContact CH2-CD1 3.7Å; W317-I401 HydrophobicContact CH2-CG1 3.64Å; W317-I401 HydrophobicContact CZ3-CD1 4.36Å; W317-I401 HydrophobicContact CZ3-CG1 4.25Å
318A97.1Very high93.6Very high1 Ų138.3 Ų38.31%0.00820%0.201CC..EExtended strand (participates in β ladder)trans-108.3140.3176.700000110.9W326 V355 Y357 I367 L372A318-W326 PolarHBondContact N-O 3.05Å; A318-W326 PolarHBondContact O-N 2.95Å; A318-V355 HydrophobicContact CB-CG1 4.06Å; A318-V355 HydrophobicContact CB-CG2 4.39Å; A318-Y357 HydrophobicContact CB-CE1 3.74Å; A318-I367 HydrophobicContact CB-CG1 4.31Å; A318-I367 HydrophobicContact CB-CG2 4.35Å; A318-L372 HydrophobicContact CB-CD2 3.86Å
319K94.6Very high94Very high58 Ų5836.6 Ų36.625%0.25219%0.188SC..EExtended strand (participates in β ladder)trans-111.8128.2177.8-18063.9171.2-175.80110.1Y323 W325 M371K319-Y323 WeakPolarHBondContact CE-O 3.37Å; K319-Y323 PolarHBondContact NZ-O 3.07Å; K319-W325 HydrophobicContact CB-CD2 3.86Å; K319-W325 HydrophobicContact CB-CE3 3.64Å; K319-W325 HydrophobicContact CB-CH2 3.81Å; K319-W325 HydrophobicContact CB-CZ2 4.02Å; K319-W325 HydrophobicContact CB-CZ3 3.62Å; K319-W325 HydrophobicContact CD-CD2 4.27Å; K319-W325 HydrophobicContact CD-CG 4.36Å; K319-W325 HydrophobicContact CG-CD2 4.46Å; K319-W325 HydrophobicContact CG-CZ2 4.36Å; K319-M371 HydrophobicContact CB-CB 4.02Å; K319-M371 HydrophobicContact CB-CG 4.42Å; K319-M371 HydrophobicContact CG-SD 4.49Å; K319-M371 PolarHBondContact N-O 2.86Å; K319-M371 WeakPolarHBondContact O-CB 3.24Å
320Q93.6Very high94.3Very high79 Ų7933.4 Ų33.437%0.36917%0.165SC..  trans-120.8144.3170-171168.2-25.700109.7G322 Y323 Y357Q320-G322 PolarHBondContact O-N 3.46Å; Q320-Y323 HydrophobicContact CB-CD2 4.11Å; Q320-Y323 HydrophobicContact CG-CD2 4.15Å; Q320-Y323 PolarHBondContact O-N 3.33Å; Q320-Y323 VanDerWaalsContact O-N 3.08Å; Q320-Y323 VanDerWaalsContact O-O 3.12Å; Q320-Y357 PolarHBondContact OE1-OH 3.33Å
321Y90Very high94.4Very high191 Ų19133.2 Ų33.275%0.74917%0.165SC*.THydrogen-bonded Turntrans-57.8135.4176-71.8-76.5000110.8Y323 M371Y321-Y323 VanDerWaalsContact C-N 3.3Å; Y321-Y323 WeakPolarHBondContact O-CD2 3.4Å; Y321-Y323 PolarHBondContact O-N 3.33Å; Y321-M371 HydrophobicContact CD1-CE 4.45Å; Y321-M371 HydrophobicContact CD2-CE 4.18Å; Y321-M371 HydrophobicContact CD2-SD 4.49Å; Y321-M371 HydrophobicContact CE1-CE 3.85Å; Y321-M371 HydrophobicContact CE2-CE 3.54Å; Y321-M371 HydrophobicContact CE2-SD 4.15Å; Y321-M371 WeakPolarHBondContact OH-CE 3.44Å
322G88.1Confident94.4Very high87 Ų8734.7 Ų34.790%0.89717%0.174SC*.THydrogen-bonded Turntrans87.4-17.7-174.200000115.2Q320Q320-G322 PolarHBondContact O-N 3.46Å
323Y88.7Confident94.4Very high127 Ų12734.7 Ų34.750%0.49817%0.174SC..SBendtrans-114.5155.8-178.3-58.5-84.3000111.3K319 Q320 Y321K319-Y323 WeakPolarHBondContact CE-O 3.37Å; K319-Y323 PolarHBondContact NZ-O 3.07Å; Q320-Y323 HydrophobicContact CB-CD2 4.11Å; Q320-Y323 HydrophobicContact CG-CD2 4.15Å; Q320-Y323 PolarHBondContact O-N 3.33Å; Q320-Y323 VanDerWaalsContact O-N 3.08Å; Q320-Y323 VanDerWaalsContact O-O 3.12Å; Y321-Y323 VanDerWaalsContact C-N 3.3Å; Y321-Y323 WeakPolarHBondContact O-CD2 3.4Å; Y321-Y323 PolarHBondContact O-N 3.33Å
324P90.3Very high94.3Very high14 Ų1438.2 Ų38.29%0.09120%0.197CC..  trans-64.5-173.7164.628.7-35.4000112Y393P324-Y393 WeakPolarHBondContact CD-OH 3.35Å; P324-Y393 HydrophobicContact CG-CE1 3.54Å; P324-Y393 VanDerWaalsContact CG-OH 3.27Å; P324-Y393 WeakPolarHBondContact CG-OH 3.36Å
325W94.2Very high94.1Very high59 Ų5943.9 Ų43.922%0.22323%0.227CC..EExtended strand (participates in β ladder)trans-69.3134.2165.4-67.393.6000108.7W317 K319 M371 K373 L378 V383W317-W325 HydrophobicContact CB-CE3 3.89Å; W317-W325 HydrophobicContact CE3-CB 4.09Å; W317-W325 WeakPolarHBondContact O-CZ3 3.49Å; K319-W325 HydrophobicContact CB-CD2 3.86Å; K319-W325 HydrophobicContact CB-CE3 3.64Å; K319-W325 HydrophobicContact CB-CH2 3.81Å; K319-W325 HydrophobicContact CB-CZ2 4.02Å; K319-W325 HydrophobicContact CB-CZ3 3.62Å; K319-W325 HydrophobicContact CD-CD2 4.27Å; K319-W325 HydrophobicContact CD-CG 4.36Å; K319-W325 HydrophobicContact CG-CD2 4.46Å; K319-W325 HydrophobicContact CG-CZ2 4.36Å; W325-M371 WeakPolarHBondContact CZ3-O 3.45Å; W325-K373 HydrophobicContact CE3-CD 4.3Å; W325-K373 HydrophobicContact CH2-CD 3.66Å; W325-K373 HydrophobicContact CH2-CG 3.81Å; W325-K373 HydrophobicContact CZ2-CD 3.92Å; W325-K373 HydrophobicContact CZ3-CB 4.2Å; W325-K373 HydrophobicContact CZ3-CD 3.85Å; W325-K373 HydrophobicContact CZ3-CG 3.85Å; W325-L378 HydrophobicContact CB-CD1 3.81Å; W325-L378 HydrophobicContact CD2-CD1 3.77Å; W325-L378 HydrophobicContact CE3-CD1 4.11Å; W325-L378 HydrophobicContact CG-CD1 3.63Å; W325-V383 HydrophobicContact CB-CG1 4.31Å; W325-V383 WeakPolarHBondContact O-CG1 3.46Å
326W95.6Very high93.8Very high37 Ų3748.9 Ų48.914%0.1425%0.253CS..EExtended strand (participates in β ladder)trans-130.5139.3-178.5-163.3-84.5000109.1A318 Y357 F358 Y393 K396 L397 A400A318-W326 PolarHBondContact N-O 3.05Å; A318-W326 PolarHBondContact O-N 2.95Å; W326-Y357 HydrophobicContact CB-CD1 4.22Å; W326-Y357 HydrophobicContact CB-CE1 4.24Å; W326-Y357 AromaticContact CD1-CD1 3.63Å; W326-Y357 HydrophobicContact CG-CD1 4.24Å; W326-F358 PolarHBondContact NE1-O 2.73Å; W326-Y393 HydrophobicContact CE3-CE1 4.32Å; W326-Y393 AromaticContact CE3-CZ 3.93Å; W326-Y393 AromaticContact CZ3-CE1 3.73Å; W326-Y393 HydrophobicContact CZ3-CE1 3.73Å; W326-Y393 HydrophobicContact CZ3-CE2 4.13Å; W326-Y393 AromaticContact CZ3-CZ 3.44Å; W326-Y393 VanDerWaalsContact CZ3-CZ 3.44Å; W326-Y393 WeakPolarHBondContact CZ3-OH 3.44Å; W326-K396 VanDerWaalsContact CH2-C 3.49Å; W326-K396 HydrophobicContact CH2-CB 3.88Å; W326-L397 HydrophobicContact CD2-CD1 4.14Å; W326-L397 HydrophobicContact CE3-CB 4.29Å; W326-L397 HydrophobicContact CE3-CD1 3.69Å; W326-L397 HydrophobicContact CH2-CB 4.02Å; W326-L397 HydrophobicContact CZ3-CB 3.66Å; W326-L397 HydrophobicContact CZ3-CD1 3.97Å; W326-L397 HydrophobicContact CZ3-CG 4.36Å; W326-A400 HydrophobicContact CZ2-CB 3.69Å
327P96.9Very high93.5Very high0 Ų051.2 Ų51.20%028%0.278CS..EExtended strand (participates in β ladder)trans-74.8140.1-178.432.7-35.9000110.5V316 W317 F358 F375 A400 I401 A404V316-P327 WeakPolarHBondContact O-CA 3.1Å; W317-P327 HydrophobicContact CE3-CB 4.27Å; W317-P327 HydrophobicContact CZ3-CB 4.24Å; W317-P327 HydrophobicContact CZ3-CG 4.31Å; P327-F358 HydrophobicContact CB-CD2 4.08Å; P327-F358 HydrophobicContact CG-CB 4.41Å; P327-F358 PolarHBondContact O-N 2.93Å; P327-F375 HydrophobicContact CB-CD2 4.47Å; P327-F375 HydrophobicContact CB-CE2 3.96Å; P327-A400 HydrophobicContact CG-CB 3.84Å; P327-I401 HydrophobicContact CG-CG1 3.93Å; P327-A404 HydrophobicContact CB-CB 3.84Å; P327-A404 HydrophobicContact CG-CB 4.35Å
328G97.1Very high93.3Very high0 Ų055.7 Ų55.70%030%0.298CS..EExtended strand (participates in β ladder)trans-148.7172.8176.100000111.9V316 T356 F358V316-G328 PolarHBondContact N-O 2.9Å; V316-G328 PolarHBondContact O-N 2.83Å; V316-G328 VanDerWaalsContact O-O 3.1Å; G328-T356 CarbonylContact C-O 3.55Å; G328-T356 VanDerWaalsContact CA-O 3.28Å; G328-T356 WeakPolarHBondContact CA-O 3.48Å; G328-F358 VanDerWaalsContact C-CE2 3.4Å; G328-F358 WeakPolarHBondContact O-CE2 3.29Å
329M97.1Very high93.1Very high0 Ų056.4 Ų56.40%030%0.301CS..EExtended strand (participates in β ladder)trans-119.7136.8177.7-172.3166.860.500108.3S314 V355 T356 F358 R415 V416 F419S314-M329 CarbonylContact O-C 3.59Å; S314-M329 WeakPolarHBondContact O-CA 3.3Å; M329-V355 WeakPolarHBondContact O-CA 3.46Å; M329-T356 PolarHBondContact N-O 3.45Å; M329-T356 PolarHBondContact O-N 2.94Å; M329-F358 HydrophobicContact CB-CE2 4.04Å; M329-F358 HydrophobicContact CB-CZ 3.78Å; M329-F358 HydrophobicContact SD-CZ 4.38Å; M329-R415 HydrophobicContact SD-CB 4.35Å; M329-R415 HydrophobicContact SD-CG 4Å; M329-V416 HydrophobicContact CE-CB 4.45Å; M329-V416 HydrophobicContact CE-CG2 4.17Å; M329-V416 HydrophobicContact SD-CG2 4.1Å; M329-F419 HydrophobicContact CE-CB 4.32Å
330I96.9Very high93.2Very high0 Ų055 Ų550%030%0.295CS..EExtended strand (participates in β ladder)trans-68.7132.6169.5-56.7-46000108Y310 V311 P312 G313 S314 V316 Y339 Y353 H354 V355Y310-I330 HydrophobicContact CG-CG1 4.4Å; V311-I330 WeakPolarHBondContact O-CB 3.46Å; P312-I330 CarbonylContact C-O 3.11Å; P312-I330 WeakPolarHBondContact CA-O 3.3Å; G313-I330 PolarHBondContact N-O 3.24Å; S314-I330 PolarHBondContact O-N 3.02Å; V316-I330 HydrophobicContact CG1-CD1 4.15Å; V316-I330 HydrophobicContact CG1-CG1 4.13Å; V316-I330 HydrophobicContact CG2-CD1 3.7Å; V316-I330 HydrophobicContact CG2-CG1 4.32Å; I330-Y339 HydrophobicContact CG2-CD2 3.82Å; I330-Y353 HydrophobicContact CD1-CG 4.44Å; I330-Y353 HydrophobicContact CG2-CD1 4.09Å; I330-H354 WeakPolarHBondContact CA-O 3.41Å; I330-V355 HydrophobicContact CD1-CG2 3.82Å
331E95.3Very high93.2Very high17 Ų1754.3 Ų54.38%0.07929%0.294CS..  trans-149.5151.5-177.2-169.3177.9176.600108.6D333 H354 T356 V416 G420 F421E331-D333 PolarHBondContact O-N 2.69Å; E331-H354 PolarHBondContact N-O 2.92Å; E331-H354 WeakPolarHBondContact O-CB 3.35Å; E331-H354 PolarHBondContact O-ND1 2.64Å; E331-T356 WeakPolarHBondContact OE2-CB 3.16Å; E331-T356 PolarHBondContact OE2-OG1 2.84Å; E331-V416 HydrophobicContact CG-CG1 4.21Å; E331-G420 WeakPolarHBondContact OE1-CA 3.25Å; E331-G420 WeakPolarHBondContact OE2-CA 3.38Å; E331-F421 PolarHBondContact OE1-N 3.5Å; E331-F421 WeakPolarHBondContact OE2-CB 3.16Å; E331-F421 PolarHBondContact OE2-N 3.18Å
332T94Very high93.3Very high42 Ų4249 Ų4926%0.25827%0.274SS..  trans-60.5130.5170.4-52.20000110.6G337T332-G337 WeakPolarHBondContact CG2-O 3.43Å
333D94.2Very high93.4Very high7 Ų749.3 Ų49.34%0.03726%0.263CS..  trans-63.1122.9173.9-172.5-47.9000109.3E331 D335 L336 G337 E338 H354 R364 W366E331-D333 PolarHBondContact O-N 2.69Å; D333-D335 PolarHBondContact O-N 3.34Å; D333-D335 WeakPolarHBondContact OD1-CB 3.32Å; D333-D335 PolarHBondContact OD1-N 3.48Å; D333-L336 HydrophobicContact CB-CB 4.15Å; D333-L336 PolarHBondContact O-N 2.85Å; D333-L336 PolarHBondContact OD1-N 3.08Å; D333-G337 WeakPolarHBondContact O-CA 3.5Å; D333-G337 PolarHBondContact O-N 3.39Å; D333-E338 VanDerWaalsContact CB-O 3.3Å; D333-E338 WeakPolarHBondContact CB-O 3.34Å; D333-E338 PolarHBondContact N-O 3.42Å; D333-H354 HydrophobicContact CB-CB 4.29Å; D333-H354 IonicContact OD2-CD2 3Å; D333-H354 PolarHBondContact OD2-CD2 2.76Å; D333-H354 VanDerWaalsContact OD2-CD2 3.25Å; D333-H354 IonicContact OD2-NE2 2.71Å; D333-R364 IonicContact OD1-NH1 3.88Å; D333-R364 PolarHBondContact OD1-NH1 2.87Å; D333-R364 IonicContact OD2-NH1 3.2Å; D333-R364 PolarHBondContact OD2-NH1 3.1Å; D333-W366 HydrophobicContact CB-CZ2 3.75Å; D333-W366 PolarHBondContact OD2-NE1 2.95Å
334P90.8Very high93.5Very high74 Ų7445.4 Ų45.448%0.48125%0.254SS..THydrogen-bonded Turntrans-68.8-14.4-176.229.9-37.6000114.1R364 F421P334-R364 VanDerWaalsContact CG-CZ 3.47Å; P334-F421 HydrophobicContact CG-CD1 3.96Å; P334-F421 HydrophobicContact CG-CE1 4.15Å
335D91.4Very high92.9Very high119 Ų11953.1 Ų53.164%0.63629%0.288SS*.THydrogen-bonded Turntrans-94.1-40.8177.6-44.6-39.5000111.4D333 R364D333-D335 PolarHBondContact O-N 3.34Å; D333-D335 WeakPolarHBondContact OD1-CB 3.32Å; D333-D335 PolarHBondContact OD1-N 3.48Å; D335-R364 IonicContact OD1-CZ 2.7Å; D335-R364 IonicContact OD1-NH1 3.06Å; D335-R364 IonicContact OD1-NH2 3.99Å; D335-R364 PolarHBondContact OD1-NH2 3.05Å; D335-R364 IonicContact OD2-CZ 3.9Å; D335-R364 IonicContact OD2-NH1 3.5Å; D335-R364 PolarHBondContact OD2-NH1 2.83Å; D335-R364 IonicContact OD2-NH2 2.77Å; D335-R364 PolarHBondContact OD2-NH2 3.01Å
336L91.1Very high92.3Very high112 Ų11257 Ų5759%0.58631%0.313SS*.THydrogen-bonded Turntrans-93.7-26.7-174.5-67.7172.8000114.2D333 E338 W366D333-L336 HydrophobicContact CB-CB 4.15Å; D333-L336 PolarHBondContact O-N 2.85Å; D333-L336 PolarHBondContact OD1-N 3.08Å; L336-E338 VanDerWaalsContact C-N 3.28Å; L336-W366 HydrophobicContact CD1-CZ2 3.83Å
337G90.5Very high91.8Very high50 Ų5058.1 Ų58.152%0.51532%0.322SS..SBendtrans803.1-173.400000114.9T332 D333T332-G337 WeakPolarHBondContact CG2-O 3.43Å; D333-G337 WeakPolarHBondContact O-CA 3.5Å; D333-G337 PolarHBondContact O-N 3.39Å
338E91.8Very high91.1Very high95 Ų9561.3 Ų61.344%0.44434%0.344SS..  trans-114.1147.8-178.5-67.6-59.5160.700112.3D333 L336 W366D333-E338 VanDerWaalsContact CB-O 3.3Å; D333-E338 WeakPolarHBondContact CB-O 3.34Å; D333-E338 PolarHBondContact N-O 3.42Å; L336-E338 VanDerWaalsContact C-N 3.28Å; E338-W366 HydrophobicContact CB-CH2 4.35Å
339Y93.9Very high90.7Very high16 Ų1666.5 Ų66.56%0.06337%0.371CS..SBendtrans-106.9-9.1175.771.7-83.9000114.1P312 I330 Y353 H354P312-Y339 HydrophobicContact CG-CD1 3.7Å; P312-Y339 HydrophobicContact CG-CD2 3.99Å; P312-Y339 HydrophobicContact CG-CE1 3.97Å; P312-Y339 HydrophobicContact CG-CE2 4.24Å; P312-Y339 HydrophobicContact CG-CG 3.71Å; I330-Y339 HydrophobicContact CG2-CD2 3.82Å; Y339-Y353 HydrophobicContact CD2-CD1 4.19Å; Y339-Y353 HydrophobicContact CD2-CE1 4.49Å; Y339-Y353 HydrophobicContact CE2-CE1 4.37Å; Y339-Y353 CarbonylContact O-C 3.53Å; Y339-Y353 WeakPolarHBondContact O-CA 3.45Å; Y339-H354 PolarHBondContact O-N 3.21Å
340F94.9Very high90.5Very high28 Ų2867 Ų6712%0.12337%0.374CS..EExtended strand (participates in β ladder)trans-143.2161178.170.7-90.7000111.8A306 F342 P350 K352 Y353A306-F340 HydrophobicContact CB-CE1 4.39Å; A306-F340 HydrophobicContact CB-CE2 3.93Å; A306-F340 HydrophobicContact CB-CZ 3.6Å; F340-F342 HydrophobicContact CD2-CE2 4.44Å; F340-F342 HydrophobicContact CD2-CZ 4.36Å; F340-F342 HydrophobicContact CE2-CD2 4.29Å; F340-F342 HydrophobicContact CE2-CE1 4.28Å; F340-F342 AromaticContact CE2-CE2 3.64Å; F340-F342 HydrophobicContact CE2-CE2 3.64Å; F340-F342 AromaticContact CE2-CZ 3.62Å; F340-F342 HydrophobicContact CE2-CZ 3.62Å; F340-P350 HydrophobicContact CB-CB 3.93Å; F340-P350 HydrophobicContact CB-CG 4.15Å; F340-P350 HydrophobicContact CD2-CB 3.87Å; F340-P350 HydrophobicContact CD2-CG 3.57Å; F340-P350 HydrophobicContact CE2-CG 4.21Å; F340-P350 HydrophobicContact CG-CB 4.21Å; F340-P350 HydrophobicContact CG-CG 3.96Å; F340-K352 CarbonylContact C-O 3.58Å; F340-K352 VanDerWaalsContact CA-O 3.31Å; F340-K352 WeakPolarHBondContact CA-O 3.46Å; F340-Y353 HydrophobicContact CB-CD1 3.75Å; F340-Y353 HydrophobicContact CB-CE1 3.9Å; F340-Y353 HydrophobicContact CB-CG 4.34Å
341L93.8Very high90.5Very high66 Ų6668.7 Ų68.735%0.34639%0.387SS..EExtended strand (participates in β ladder)trans-139.6135.4175.1-69169.3000110.5S351 K352 W366L341-S351 WeakPolarHBondContact O-CA 3.33Å; L341-S351 WeakPolarHBondContact O-CB 3.26Å; L341-S351 PolarHBondContact O-N 2.92Å; L341-K352 HydrophobicContact CB-CB 4.49Å; L341-K352 PolarHBondContact N-O 2.84Å; L341-K352 PolarHBondContact O-N 3.44Å; L341-W366 HydrophobicContact CB-CZ3 4.21Å; L341-W366 HydrophobicContact CD1-CD2 3.95Å; L341-W366 HydrophobicContact CD1-CE3 3.73Å; L341-W366 HydrophobicContact CD1-CH2 3.98Å; L341-W366 HydrophobicContact CD1-CZ2 4.19Å; L341-W366 HydrophobicContact CD1-CZ3 3.75Å; L341-W366 HydrophobicContact CD2-CH2 4.48Å; L341-W366 HydrophobicContact CG-CE3 4.04Å; L341-W366 HydrophobicContact CG-CH2 3.72Å; L341-W366 HydrophobicContact CG-CZ2 4.37Å; L341-W366 HydrophobicContact CG-CZ3 3.55Å
342F93.1Very high90.5Very high79 Ų7972 Ų7235%0.34640%0.401SS..  trans-77.3168.3166.9-60.5-65.1000111.6A306 F340 S344 D347 L349 P350A306-F342 HydrophobicContact CB-CZ 3.96Å; F340-F342 HydrophobicContact CD2-CE2 4.44Å; F340-F342 HydrophobicContact CD2-CZ 4.36Å; F340-F342 HydrophobicContact CE2-CD2 4.29Å; F340-F342 HydrophobicContact CE2-CE1 4.28Å; F340-F342 AromaticContact CE2-CE2 3.64Å; F340-F342 HydrophobicContact CE2-CE2 3.64Å; F340-F342 AromaticContact CE2-CZ 3.62Å; F340-F342 HydrophobicContact CE2-CZ 3.62Å; F342-S344 WeakPolarHBondContact CB-O 3.35Å; F342-D347 HydrophobicContact CB-CB 4.22Å; F342-D347 HydrophobicContact CD1-CB 3.93Å; F342-D347 VanDerWaalsContact CD1-O 3.25Å; F342-D347 WeakPolarHBondContact CD1-O 3.31Å; F342-D347 VanDerWaalsContact CE1-O 3.25Å; F342-D347 WeakPolarHBondContact CE1-O 3.47Å; F342-D347 HydrophobicContact CG-CB 4.41Å; F342-L349 WeakPolarHBondContact CD1-O 3.31Å; F342-P350 HydrophobicContact CE1-CG 4.1Å
343S90.7Very high90.7Very high94 Ų9470.1 Ų70.166%0.65739%0.389SS*.SBendtrans-97.4-24.6167.8-81.50000112.6D347 S351S343-D347 VanDerWaalsContact CA-OD2 3.29Å; S343-D347 WeakPolarHBondContact CA-OD2 3.41Å; S343-D347 VanDerWaalsContact CB-OD2 3.3Å; S343-D347 WeakPolarHBondContact CB-OD2 3.5Å; S343-D347 PolarHBondContact N-OD2 2.9Å; S343-S351 VanDerWaalsContact OG-CB 3.25Å; S343-S351 WeakPolarHBondContact OG-CB 3.27Å; S343-S351 PolarHBondContact OG-OG 3.03Å
344S89.7Confident90.9Very high44 Ų4469.8 Ų69.831%0.30839%0.387SS..SBendtrans-140.1152.8175-177.70000109.8F342 L346 D347F342-S344 WeakPolarHBondContact CB-O 3.35Å; S344-L346 PolarHBondContact O-N 2.87Å; S344-L346 VanDerWaalsContact O-N 3.12Å; S344-L346 PolarHBondContact OG-N 2.87Å; S344-D347 PolarHBondContact N-OD2 2.71Å; S344-D347 WeakPolarHBondContact O-CB 3.34Å; S344-D347 PolarHBondContact O-N 2.98Å; S344-D347 VanDerWaalsContact O-N 3.07Å
345H77.1Confident91.2Very high176 Ų17666.3 Ų66.382%0.81536%0.364SS*.THydrogen-bonded Turntrans-66.2-6.1169.458.8-93.3000113.1
346L82.3Confident91.5Very high140 Ų14060.6 Ų60.673%0.73333%0.334SS*.THydrogen-bonded Turntrans-97.1-4.8173.8-54.9177.7000113.1S344S344-L346 PolarHBondContact O-N 2.87Å; S344-L346 VanDerWaalsContact O-N 3.12Å; S344-L346 PolarHBondContact OG-N 2.87Å
347D84.9Confident91.8Very high61 Ų6156 Ų5633%0.32631%0.309SS..  trans-80.9124.6178.8-60.8-26000110F342 S343 S344F342-D347 HydrophobicContact CB-CB 4.22Å; F342-D347 HydrophobicContact CD1-CB 3.93Å; F342-D347 VanDerWaalsContact CD1-O 3.25Å; F342-D347 WeakPolarHBondContact CD1-O 3.31Å; F342-D347 VanDerWaalsContact CE1-O 3.25Å; F342-D347 WeakPolarHBondContact CE1-O 3.47Å; F342-D347 HydrophobicContact CG-CB 4.41Å; S343-D347 VanDerWaalsContact CA-OD2 3.29Å; S343-D347 WeakPolarHBondContact CA-OD2 3.41Å; S343-D347 VanDerWaalsContact CB-OD2 3.3Å; S343-D347 WeakPolarHBondContact CB-OD2 3.5Å; S343-D347 PolarHBondContact N-OD2 2.9Å; S344-D347 PolarHBondContact N-OD2 2.71Å; S344-D347 WeakPolarHBondContact O-CB 3.34Å; S344-D347 PolarHBondContact O-N 2.98Å; S344-D347 VanDerWaalsContact O-N 3.07Å
348S82.2Confident92.1Very high68 Ų6853.8 Ų53.848%0.47629%0.285SS..SBendtrans-83.7-14.8172.157.10000113.6Y307Y307-S348 WeakPolarHBondContact CB-O 3.47Å; Y307-S348 PolarHBondContact N-O 3.27Å; Y307-S348 VanDerWaalsContact N-O 3.1Å
349L89.6Confident92.1Very high108 Ų10849.4 Ų49.457%0.56527%0.266SS*.SBendtrans-113.9130.5-177.6-66.3169.6000109.9Y307 F342Y307-L349 WeakPolarHBondContact O-CD2 3.32Å; F342-L349 WeakPolarHBondContact CD1-O 3.31Å
350P93.3Very high91.9Very high10 Ų1055.3 Ų55.37%0.06529%0.294CS..  trans-59.4145.3176.2-26.936.1000113.9Y307 F340 F342 Y353 V369Y307-P350 WeakPolarHBondContact O-CD 3.3Å; F340-P350 HydrophobicContact CB-CB 3.93Å; F340-P350 HydrophobicContact CB-CG 4.15Å; F340-P350 HydrophobicContact CD2-CB 3.87Å; F340-P350 HydrophobicContact CD2-CG 3.57Å; F340-P350 HydrophobicContact CE2-CG 4.21Å; F340-P350 HydrophobicContact CG-CB 4.21Å; F340-P350 HydrophobicContact CG-CG 3.96Å; F342-P350 HydrophobicContact CE1-CG 4.1Å; P350-Y353 HydrophobicContact CB-CE1 4.45Å; P350-Y353 HydrophobicContact CB-CE2 3.94Å; P350-Y353 HydrophobicContact CG-CE1 4.47Å; P350-V369 VanDerWaalsContact O-CG2 3.24Å; P350-V369 WeakPolarHBondContact O-CG2 3.4Å
351S95.3Very high91.6Very high37 Ų3763.7 Ų63.726%0.25932%0.324SS..SBendtrans-95-32.7179.6179.10000112.5L341 S343 P368 V369L341-S351 WeakPolarHBondContact O-CA 3.33Å; L341-S351 WeakPolarHBondContact O-CB 3.26Å; L341-S351 PolarHBondContact O-N 2.92Å; S343-S351 VanDerWaalsContact OG-CB 3.25Å; S343-S351 WeakPolarHBondContact OG-CB 3.27Å; S343-S351 PolarHBondContact OG-OG 3.03Å; S351-P368 CarbonylContact O-C 3.59Å; S351-P368 WeakPolarHBondContact O-CA 3.38Å; S351-V369 PolarHBondContact O-N 2.78Å
352K96.8Very high91.5Very high86 Ų8661.9 Ų61.937%0.37432%0.316SS..EExtended strand (participates in β ladder)trans-136.4155.1174.8-55.7173.9-173.4168.70110.9F340 L341 W366 I367F340-K352 CarbonylContact C-O 3.58Å; F340-K352 VanDerWaalsContact CA-O 3.31Å; F340-K352 WeakPolarHBondContact CA-O 3.46Å; L341-K352 HydrophobicContact CB-CB 4.49Å; L341-K352 PolarHBondContact N-O 2.84Å; L341-K352 PolarHBondContact O-N 3.44Å; K352-W366 HydrophobicContact CB-CE3 4.1Å; K352-I367 VanDerWaalsContact CA-O 3.27Å; K352-I367 WeakPolarHBondContact CA-O 3.44Å
353Y97.6Very high91.6Very high2 Ų260.9 Ų60.91%0.00832%0.319CS..EExtended strand (participates in β ladder)trans-122.1153.1163.8-65.1-101.3000110.3A308 S309 Y310 I330 Y339 F340 P350 I367 V369 L372A308-Y353 WeakPolarHBondContact CA-OH 3.35Å; A308-Y353 HydrophobicContact CB-CE1 4.4Å; S309-Y353 PolarHBondContact N-OH 3.01Å; Y310-Y353 HydrophobicContact CD2-CD2 4.21Å; Y310-Y353 HydrophobicContact CD2-CE1 4.5Å; Y310-Y353 AromaticContact CD2-CE2 3.93Å; Y310-Y353 HydrophobicContact CD2-CE2 3.93Å; Y310-Y353 VanDerWaalsContact O-CE1 3.31Å; Y310-Y353 WeakPolarHBondContact O-CE1 3.5Å; I330-Y353 HydrophobicContact CD1-CG 4.44Å; I330-Y353 HydrophobicContact CG2-CD1 4.09Å; Y339-Y353 HydrophobicContact CD2-CD1 4.19Å; Y339-Y353 HydrophobicContact CD2-CE1 4.49Å; Y339-Y353 HydrophobicContact CE2-CE1 4.37Å; Y339-Y353 CarbonylContact O-C 3.53Å; Y339-Y353 WeakPolarHBondContact O-CA 3.45Å; F340-Y353 HydrophobicContact CB-CD1 3.75Å; F340-Y353 HydrophobicContact CB-CE1 3.9Å; F340-Y353 HydrophobicContact CB-CG 4.34Å; P350-Y353 HydrophobicContact CB-CE1 4.45Å; P350-Y353 HydrophobicContact CB-CE2 3.94Å; P350-Y353 HydrophobicContact CG-CE1 4.47Å; Y353-I367 PolarHBondContact N-O 3.44Å; Y353-I367 PolarHBondContact O-N 2.9Å; Y353-V369 HydrophobicContact CD2-CG2 3.77Å; Y353-V369 HydrophobicContact CE2-CG2 3.52Å; Y353-L372 HydrophobicContact CD2-CD1 3.56Å; Y353-L372 HydrophobicContact CE2-CD1 4.45Å; Y353-L372 HydrophobicContact CG-CD1 4.09Å
354H97.6Very high91.8Very high1 Ų160 Ų601%0.00530%0.301CS..EExtended strand (participates in β ladder)trans-83.2126.2169.3177.2-92.2000109.4I330 E331 D333 Y339 R364 W366I330-H354 WeakPolarHBondContact CA-O 3.41Å; E331-H354 PolarHBondContact N-O 2.92Å; E331-H354 WeakPolarHBondContact O-CB 3.35Å; E331-H354 PolarHBondContact O-ND1 2.64Å; D333-H354 HydrophobicContact CB-CB 4.29Å; D333-H354 IonicContact OD2-CD2 3Å; D333-H354 PolarHBondContact OD2-CD2 2.76Å; D333-H354 VanDerWaalsContact OD2-CD2 3.25Å; D333-H354 IonicContact OD2-NE2 2.71Å; Y339-H354 PolarHBondContact O-N 3.21Å; H354-R364 WeakPolarHBondContact NE2-CB 3.3Å; H354-R364 VanDerWaalsContact NE2-CD 3.33Å; H354-R364 WeakPolarHBondContact NE2-CD 3.4Å; H354-W366 HydrophobicContact CB-CD2 4.01Å; H354-W366 HydrophobicContact CB-CE3 3.98Å; H354-W366 HydrophobicContact CB-CH2 3.75Å; H354-W366 HydrophobicContact CB-CZ2 3.76Å; H354-W366 HydrophobicContact CB-CZ3 3.84Å; H354-W366 AromaticContact CD2-NE1 3.78Å
355V97.8Very high92.2Very high0 Ų058.9 Ų58.90%030%0.295CS..EExtended strand (participates in β ladder)trans-121.6125.3-174.5-170.40000109.7V316 A318 M329 I330 R364 A365 I367 L372V316-V355 HydrophobicContact CG2-CG1 4.17Å; A318-V355 HydrophobicContact CB-CG1 4.06Å; A318-V355 HydrophobicContact CB-CG2 4.39Å; M329-V355 WeakPolarHBondContact O-CA 3.46Å; I330-V355 HydrophobicContact CD1-CG2 3.82Å; V355-R364 CarbonylContact O-C 3.6Å; V355-R364 WeakPolarHBondContact O-CA 3.05Å; V355-A365 PolarHBondContact N-O 2.94Å; V355-A365 PolarHBondContact O-N 2.96Å; V355-I367 HydrophobicContact CB-CG1 4.2Å; V355-I367 HydrophobicContact CG2-CB 3.88Å; V355-I367 HydrophobicContact CG2-CG1 3.71Å; V355-L372 HydrophobicContact CG2-CD2 3.91Å
356T97.2Very high93.1Very high0 Ų053.5 Ų53.50%027%0.267CS..EExtended strand (participates in β ladder)trans-95.1119.2165.8-62.40000109.2G328 M329 E331 V362 S363 F421G328-T356 CarbonylContact C-O 3.55Å; G328-T356 VanDerWaalsContact CA-O 3.28Å; G328-T356 WeakPolarHBondContact CA-O 3.48Å; M329-T356 PolarHBondContact N-O 3.45Å; M329-T356 PolarHBondContact O-N 2.94Å; E331-T356 WeakPolarHBondContact OE2-CB 3.16Å; E331-T356 PolarHBondContact OE2-OG1 2.84Å; T356-V362 HydrophobicContact CG2-CG2 3.49Å; T356-V362 VanDerWaalsContact CG2-CG2 3.49Å; T356-S363 WeakPolarHBondContact CA-O 3.42Å; T356-F421 HydrophobicContact CG2-CB 3.98Å; T356-F421 HydrophobicContact CG2-CD2 4.44Å
357Y97.2Very high93.9Very high16 Ų1647.1 Ų47.16%0.06323%0.234CC..EExtended strand (participates in β ladder)trans-76.2145.9-177.3-66.9-73.9000112.7A318 Q320 W326 S363 A365 I367 R424A318-Y357 HydrophobicContact CB-CE1 3.74Å; Q320-Y357 PolarHBondContact OE1-OH 3.33Å; W326-Y357 HydrophobicContact CB-CD1 4.22Å; W326-Y357 HydrophobicContact CB-CE1 4.24Å; W326-Y357 AromaticContact CD1-CD1 3.63Å; W326-Y357 HydrophobicContact CG-CD1 4.24Å; Y357-S363 WeakPolarHBondContact CD2-OG 3.2Å; Y357-S363 PolarHBondContact N-O 2.92Å; Y357-A365 HydrophobicContact CE2-CB 3.9Å; Y357-I367 WeakPolarHBondContact OH-CD1 3.4Å; Y357-R424 PolarHBondContact O-NH1 2.94Å; Y357-R424 VanDerWaalsContact O-NH1 3.09Å; Y357-R424 PolarHBondContact O-NH2 3.07Å
358F96.5Very high94.5Very high2 Ų246.3 Ų46.31%0.00923%0.232CC..PPolyproline II helixtrans-80.3158.9170.6-66.1-74.4000111.7I315 W326 P327 G328 M329 A400 M403 A404 A407 F419I315-F358 HydrophobicContact CG2-CE2 4.03Å; W326-F358 PolarHBondContact NE1-O 2.73Å; P327-F358 HydrophobicContact CB-CD2 4.08Å; P327-F358 HydrophobicContact CG-CB 4.41Å; P327-F358 PolarHBondContact O-N 2.93Å; G328-F358 VanDerWaalsContact C-CE2 3.4Å; G328-F358 WeakPolarHBondContact O-CE2 3.29Å; M329-F358 HydrophobicContact CB-CE2 4.04Å; M329-F358 HydrophobicContact CB-CZ 3.78Å; M329-F358 HydrophobicContact SD-CZ 4.38Å; F358-A400 HydrophobicContact CB-CB 4.15Å; F358-A400 WeakPolarHBondContact CB-O 3.38Å; F358-A400 VanDerWaalsContact O-CB 3.29Å; F358-A400 WeakPolarHBondContact O-CB 3.3Å; F358-M403 HydrophobicContact CB-CB 4.25Å; F358-M403 HydrophobicContact CB-CG 4.34Å; F358-M403 HydrophobicContact CB-SD 4.09Å; F358-M403 HydrophobicContact CD1-CB 4.29Å; F358-M403 HydrophobicContact CD1-CG 3.69Å; F358-M403 HydrophobicContact CD1-SD 3.84Å; F358-M403 HydrophobicContact CE1-CG 4.47Å; F358-M403 HydrophobicContact CG-CG 4.4Å; F358-M403 HydrophobicContact CG-SD 4.46Å; F358-A404 HydrophobicContact CD2-CB 3.59Å; F358-A404 HydrophobicContact CE2-CB 3.76Å; F358-A404 HydrophobicContact CG-CB 4.09Å; F358-A404 HydrophobicContact CZ-CB 4.36Å; F358-A407 HydrophobicContact CE1-CB 3.74Å; F358-A407 HydrophobicContact CZ-CB 3.75Å; F358-F419 HydrophobicContact CD1-CB 4.39Å; F358-F419 HydrophobicContact CE1-CB 3.8Å; F358-F419 HydrophobicContact CE1-CG 4.29Å
359G93Very high95.1Very high4 Ų445.5 Ų45.54%0.04122%0.224CC..SBendtrans128.3-179.4177.700000114R361 M403 R424G359-R361 VanDerWaalsContact C-N 3.34Å; G359-R361 PolarHBondContact O-N 3.16Å; G359-M403 PolarHBondContact N-SD 3.08Å; G359-M403 VanDerWaalsContact N-SD 3.39Å; G359-M403 WeakPolarHBondContact O-CE 3.43Å; G359-R424 PolarHBondContact O-NH1 2.92Å
360E89.3Confident95.4Very high139 Ų13945.6 Ų45.665%0.6523%0.234SC*.SBendtrans-51.6-44.8-176.5177.5-167.8-153.800113.6K396E360-K396 WeakPolarHBondContact OE2-CE 3.47Å; E360-K396 IonicContact OE2-NZ 2.69Å; E360-K396 PolarHBondContact OE2-NZ 2.99Å
361R89.1Confident95.5Very high204 Ų20446.7 Ų46.777%0.7724%0.239SC*.SBendtrans-110.9133.4174.4-65-174-178.9-169.3-3.1108.4G359G359-R361 VanDerWaalsContact C-N 3.34Å; G359-R361 PolarHBondContact O-N 3.16Å
362V92.2Very high95.5Very high28 Ų2845.4 Ų45.417%0.1723%0.229CC..  trans-76.3138.3173.272.30000110.3T356 F421 R424 Y425T356-V362 HydrophobicContact CG2-CG2 3.49Å; T356-V362 VanDerWaalsContact CG2-CG2 3.49Å; V362-F421 HydrophobicContact CG1-CD2 4.31Å; V362-F421 HydrophobicContact CG1-CE2 4.28Å; V362-F421 HydrophobicContact CG2-CD2 3.85Å; V362-R424 HydrophobicContact CB-CB 3.87Å; V362-R424 HydrophobicContact CG1-CB 4.05Å; V362-R424 HydrophobicContact CG2-CB 4.19Å; V362-Y425 HydrophobicContact CG1-CD2 4.2Å
363S94.1Very high95.4Very high59 Ų5944.1 Ų44.141%0.41322%0.223SC..EExtended strand (participates in β ladder)trans-147.5156.8174.359.60000108.7T356 Y357T356-S363 WeakPolarHBondContact CA-O 3.42Å; Y357-S363 WeakPolarHBondContact CD2-OG 3.2Å; Y357-S363 PolarHBondContact N-O 2.92Å
364R95.4Very high95.2Very high75 Ų7545.2 Ų45.228%0.28323%0.229SC..EExtended strand (participates in β ladder)trans-137.8150.7-176.763.8-176.9170.199.6-2.6112.2D333 P334 D335 H354 V355 F421D333-R364 IonicContact OD1-NH1 3.88Å; D333-R364 PolarHBondContact OD1-NH1 2.87Å; D333-R364 IonicContact OD2-NH1 3.2Å; D333-R364 PolarHBondContact OD2-NH1 3.1Å; P334-R364 VanDerWaalsContact CG-CZ 3.47Å; D335-R364 IonicContact OD1-CZ 2.7Å; D335-R364 IonicContact OD1-NH1 3.06Å; D335-R364 IonicContact OD1-NH2 3.99Å; D335-R364 PolarHBondContact OD1-NH2 3.05Å; D335-R364 IonicContact OD2-CZ 3.9Å; D335-R364 IonicContact OD2-NH1 3.5Å; D335-R364 PolarHBondContact OD2-NH1 2.83Å; D335-R364 IonicContact OD2-NH2 2.77Å; D335-R364 PolarHBondContact OD2-NH2 3.01Å; H354-R364 WeakPolarHBondContact NE2-CB 3.3Å; H354-R364 VanDerWaalsContact NE2-CD 3.33Å; H354-R364 WeakPolarHBondContact NE2-CD 3.4Å; V355-R364 CarbonylContact O-C 3.6Å; V355-R364 WeakPolarHBondContact O-CA 3.05Å; R364-F421 HydrophobicContact CB-CD2 4.13Å; R364-F421 HydrophobicContact CB-CE2 4.42Å; R364-F421 HydrophobicContact CG-CD2 4.03Å; R364-F421 HydrophobicContact CG-CE2 3.9Å
365A97.1Very high95Very high21 Ų2145.7 Ų45.717%0.17423%0.231CC..EExtended strand (participates in β ladder)trans-157.4152.4-18000000112.9V355 Y357 I367V355-A365 PolarHBondContact N-O 2.94Å; V355-A365 PolarHBondContact O-N 2.96Å; Y357-A365 HydrophobicContact CE2-CB 3.9Å; A365-I367 HydrophobicContact CB-CD1 3.8Å; A365-I367 HydrophobicContact CB-CG1 4.26Å
366W97.8Very high94.6Very high62 Ų6251.7 Ų51.724%0.23526%0.259CS..EExtended strand (participates in β ladder)trans-86.6109170.1-77.895.5000111D333 L336 E338 L341 K352 H354D333-W366 HydrophobicContact CB-CZ2 3.75Å; D333-W366 PolarHBondContact OD2-NE1 2.95Å; L336-W366 HydrophobicContact CD1-CZ2 3.83Å; E338-W366 HydrophobicContact CB-CH2 4.35Å; L341-W366 HydrophobicContact CB-CZ3 4.21Å; L341-W366 HydrophobicContact CD1-CD2 3.95Å; L341-W366 HydrophobicContact CD1-CE3 3.73Å; L341-W366 HydrophobicContact CD1-CH2 3.98Å; L341-W366 HydrophobicContact CD1-CZ2 4.19Å; L341-W366 HydrophobicContact CD1-CZ3 3.75Å; L341-W366 HydrophobicContact CD2-CH2 4.48Å; L341-W366 HydrophobicContact CG-CE3 4.04Å; L341-W366 HydrophobicContact CG-CH2 3.72Å; L341-W366 HydrophobicContact CG-CZ2 4.37Å; L341-W366 HydrophobicContact CG-CZ3 3.55Å; K352-W366 HydrophobicContact CB-CE3 4.1Å; H354-W366 HydrophobicContact CB-CD2 4.01Å; H354-W366 HydrophobicContact CB-CE3 3.98Å; H354-W366 HydrophobicContact CB-CH2 3.75Å; H354-W366 HydrophobicContact CB-CZ2 3.76Å; H354-W366 HydrophobicContact CB-CZ3 3.84Å; H354-W366 AromaticContact CD2-NE1 3.78Å
367I98.1Very high94Very high6 Ų656.4 Ų56.43%0.03128%0.282CS..EExtended strand (participates in β ladder)trans-111128.6-171.4-55.4-59.9000110.8A318 K352 Y353 V355 Y357 A365 M371 L372A318-I367 HydrophobicContact CB-CG1 4.31Å; A318-I367 HydrophobicContact CB-CG2 4.35Å; K352-I367 VanDerWaalsContact CA-O 3.27Å; K352-I367 WeakPolarHBondContact CA-O 3.44Å; Y353-I367 PolarHBondContact N-O 3.44Å; Y353-I367 PolarHBondContact O-N 2.9Å; V355-I367 HydrophobicContact CB-CG1 4.2Å; V355-I367 HydrophobicContact CG2-CB 3.88Å; V355-I367 HydrophobicContact CG2-CG1 3.71Å; Y357-I367 WeakPolarHBondContact OH-CD1 3.4Å; A365-I367 HydrophobicContact CB-CD1 3.8Å; A365-I367 HydrophobicContact CB-CG1 4.26Å; I367-M371 HydrophobicContact CG2-CB 3.74Å; I367-L372 HydrophobicContact CB-CD2 3.99Å; I367-L372 HydrophobicContact CB-CG 4.47Å; I367-L372 HydrophobicContact CG2-CD2 3.63Å; I367-L372 HydrophobicContact CG2-CG 3.98Å
368P96.9Very high93.2Very high44 Ų4456.5 Ų56.529%0.28628%0.283SS..EExtended strand (participates in β ladder)trans-62.6149.1175.3-22.233.4000113S351 S370 M371 L372S351-P368 CarbonylContact O-C 3.59Å; S351-P368 WeakPolarHBondContact O-CA 3.38Å; P368-S370 PolarHBondContact O-N 3.02Å; P368-M371 CarbonylContact O-C 3.56Å; P368-M371 WeakPolarHBondContact O-CA 3.32Å; P368-M371 WeakPolarHBondContact O-CB 3.33Å; P368-M371 PolarHBondContact O-N 2.93Å; P368-L372 PolarHBondContact O-N 3.28Å
369V95.3Very high92.1Very high51 Ų5159.6 Ų59.631%0.30931%0.305SS..G310 helixtrans-60.2-32.3179.7178.20000113.1P350 S351 Y353 M371 L372P350-V369 VanDerWaalsContact O-CG2 3.24Å; P350-V369 WeakPolarHBondContact O-CG2 3.4Å; S351-V369 PolarHBondContact O-N 2.78Å; Y353-V369 HydrophobicContact CD2-CG2 3.77Å; Y353-V369 HydrophobicContact CE2-CG2 3.52Å; V369-M371 PolarHBondContact O-N 3.16Å; V369-M371 VanDerWaalsContact O-N 3.1Å; V369-L372 PolarHBondContact O-N 3.4Å; V369-L372 VanDerWaalsContact O-N 3.08Å
370S95.1Very high91Very high111 Ų11162.6 Ų62.678%0.77632%0.319SS*.G310 helixtrans-66.5-6.3172.456.10000114.5P368P368-S370 PolarHBondContact O-N 3.02Å
371M96.4Very high89.7Confident32 Ų3263.5 Ų63.516%0.15832%0.324CS..G310 helixtrans-119.514.5176.2-68.2-161.3162.400112.5K319 Y321 W325 I367 P368 V369K319-M371 HydrophobicContact CB-CB 4.02Å; K319-M371 HydrophobicContact CB-CG 4.42Å; K319-M371 HydrophobicContact CG-SD 4.49Å; K319-M371 PolarHBondContact N-O 2.86Å; K319-M371 WeakPolarHBondContact O-CB 3.24Å; Y321-M371 HydrophobicContact CD1-CE 4.45Å; Y321-M371 HydrophobicContact CD2-CE 4.18Å; Y321-M371 HydrophobicContact CD2-SD 4.49Å; Y321-M371 HydrophobicContact CE1-CE 3.85Å; Y321-M371 HydrophobicContact CE2-CE 3.54Å; Y321-M371 HydrophobicContact CE2-SD 4.15Å; Y321-M371 WeakPolarHBondContact OH-CE 3.44Å; W325-M371 WeakPolarHBondContact CZ3-O 3.45Å; I367-M371 HydrophobicContact CG2-CB 3.74Å; P368-M371 CarbonylContact O-C 3.56Å; P368-M371 WeakPolarHBondContact O-CA 3.32Å; P368-M371 WeakPolarHBondContact O-CB 3.33Å; P368-M371 PolarHBondContact O-N 2.93Å; V369-M371 PolarHBondContact O-N 3.16Å; V369-M371 VanDerWaalsContact O-N 3.1Å
372L96.1Very high88.7Confident11 Ų1159.5 Ų59.56%0.05832%0.317CS..EExtended strand (participates in β ladder)trans-113.9149.1170.6-64176.1000110.3Y310 V316 W317 A318 Y353 V355 I367 P368 V369Y310-L372 HydrophobicContact CD2-CD1 4.3Å; Y310-L372 HydrophobicContact CE2-CB 4.07Å; Y310-L372 HydrophobicContact CE2-CD1 4.16Å; V316-L372 HydrophobicContact CG2-CD2 4.16Å; W317-L372 WeakPolarHBondContact O-CA 3.45Å; A318-L372 HydrophobicContact CB-CD2 3.86Å; Y353-L372 HydrophobicContact CD2-CD1 3.56Å; Y353-L372 HydrophobicContact CE2-CD1 4.45Å; Y353-L372 HydrophobicContact CG-CD1 4.09Å; V355-L372 HydrophobicContact CG2-CD2 3.91Å; I367-L372 HydrophobicContact CB-CD2 3.99Å; I367-L372 HydrophobicContact CB-CG 4.47Å; I367-L372 HydrophobicContact CG2-CD2 3.63Å; I367-L372 HydrophobicContact CG2-CG 3.98Å; P368-L372 PolarHBondContact O-N 3.28Å; V369-L372 PolarHBondContact O-N 3.4Å; V369-L372 VanDerWaalsContact O-N 3.08Å
373K94.7Very high87.4Confident58 Ų5858.4 Ų58.425%0.25231%0.311SS..EExtended strand (participates in β ladder)trans-141.5153171.1-76.9175.8156.7-81.90109.2V316 W317 W325 E377 L378V316-K373 WeakPolarHBondContact CA-O 3.36Å; V316-K373 WeakPolarHBondContact CB-O 3.22Å; W317-K373 HydrophobicContact CB-CB 4.22Å; W317-K373 PolarHBondContact N-O 3.27Å; W317-K373 PolarHBondContact O-N 3.25Å; W325-K373 HydrophobicContact CE3-CD 4.3Å; W325-K373 HydrophobicContact CH2-CD 3.66Å; W325-K373 HydrophobicContact CH2-CG 3.81Å; W325-K373 HydrophobicContact CZ2-CD 3.92Å; W325-K373 HydrophobicContact CZ3-CB 4.2Å; W325-K373 HydrophobicContact CZ3-CD 3.85Å; W325-K373 HydrophobicContact CZ3-CG 3.85Å; K373-E377 WeakPolarHBondContact CA-OE1 3.23Å; K373-E377 HydrophobicContact CB-CB 4.36Å; K373-E377 WeakPolarHBondContact CG-OE2 3.46Å; K373-E377 IonicContact NZ-OE2 3.85Å; K373-E377 PolarHBondContact NZ-OE2 2.83Å; K373-L378 HydrophobicContact CD-CD1 3.96Å; K373-L378 HydrophobicContact CD-CD2 3.68Å; K373-L378 HydrophobicContact CD-CG 3.88Å
374N93.2Very high86Confident25 Ų2560.9 Ų60.913%0.13431%0.311CS..EExtended strand (participates in β ladder)trans-58.4143.3169.2-169.5-68.9000110S272 Y310 Q376 E377S272-N374 PolarHBondContact O-ND2 3.45Å; Y310-N374 PolarHBondContact OH-N 2.76Å; N374-Q376 PolarHBondContact O-N 3.01Å; N374-Q376 VanDerWaalsContact O-N 3.16Å; N374-Q376 WeakPolarHBondContact OD1-CB 3.4Å; N374-Q376 PolarHBondContact OD1-N 2.84Å; N374-E377 HydrophobicContact CB-CG 4.06Å; N374-E377 PolarHBondContact N-OE1 3.03Å; N374-E377 WeakPolarHBondContact O-CB 3.21Å; N374-E377 PolarHBondContact O-N 3.38Å
375F92.6Very high84.3Confident11 Ų1159 Ų595%0.04832%0.315CS..G310 helixtrans-57.1-30.9178.9-170.3-127000113.4I315 W317 P327 E377 A404 H405 E408I315-F375 HydrophobicContact CB-CB 4.16Å; I315-F375 HydrophobicContact CB-CG 4.39Å; I315-F375 HydrophobicContact CG2-CB 3.71Å; I315-F375 HydrophobicContact CG2-CD1 3.72Å; I315-F375 HydrophobicContact CG2-CD2 3.84Å; I315-F375 HydrophobicContact CG2-CE1 4.27Å; I315-F375 HydrophobicContact CG2-CE2 4.42Å; I315-F375 HydrophobicContact CG2-CG 3.48Å; I315-F375 VanDerWaalsContact CG2-CG 3.48Å; I315-F375 WeakPolarHBondContact O-CB 3.48Å; I315-F375 PolarHBondContact O-N 2.95Å; W317-F375 VanDerWaalsContact CD1-CA 3.49Å; W317-F375 AromaticContact CD1-CD2 3.93Å; W317-F375 HydrophobicContact CD2-CD2 4.33Å; W317-F375 AromaticContact CE2-CD2 3.72Å; W317-F375 AromaticContact CE2-CE2 3.78Å; W317-F375 HydrophobicContact CG-CD2 4.44Å; W317-F375 HydrophobicContact CZ2-CD2 4.19Å; W317-F375 AromaticContact CZ2-CE2 3.76Å; W317-F375 HydrophobicContact CZ2-CE2 3.76Å; W317-F375 AromaticContact NE1-CD2 3.39Å; W317-F375 AromaticContact NE1-CE2 3.88Å; W317-F375 PolarHBondContact NE1-O 3.01Å; P327-F375 HydrophobicContact CB-CD2 4.47Å; P327-F375 HydrophobicContact CB-CE2 3.96Å; F375-E377 VanDerWaalsContact C-N 3.33Å; F375-E377 PolarHBondContact O-N 3.29Å; F375-A404 HydrophobicContact CE1-CB 4.22Å; F375-A404 HydrophobicContact CE2-CB 3.8Å; F375-A404 HydrophobicContact CZ-CB 3.53Å; F375-H405 AromaticContact CE1-CE1 3.5Å; F375-H405 VanDerWaalsContact CE1-CE1 3.5Å; F375-H405 WeakPolarHBondContact CE1-CE1 3.35Å; F375-H405 AromaticContact CE1-ND1 3.45Å; F375-H405 WeakPolarHBondContact CE1-ND1 3.36Å; F375-H405 AromaticContact CZ-CE1 3.65Å; F375-H405 AromaticContact CZ-ND1 3.86Å; F375-H405 AromaticContact CZ-NE2 3.91Å; F375-E408 WeakPolarHBondContact CD1-OE1 3.41Å
376Q88.8Confident82.2Confident126 Ų12668.3 Ų68.359%0.58935%0.352SS*.G310 helixtrans-78.4-10.4179.9-56.9177.44.500113.8N374N374-Q376 PolarHBondContact O-N 3.01Å; N374-Q376 VanDerWaalsContact O-N 3.16Å; N374-Q376 WeakPolarHBondContact OD1-CB 3.4Å; N374-Q376 PolarHBondContact OD1-N 2.84Å
377E84.6Confident80.2Confident100 Ų10069.8 Ų69.847%0.46737%0.368SS..G310 helixtrans-76.4-25.7-178.1-85.7179.4-10800115.1K373 N374 F375K373-E377 WeakPolarHBondContact CA-OE1 3.23Å; K373-E377 HydrophobicContact CB-CB 4.36Å; K373-E377 WeakPolarHBondContact CG-OE2 3.46Å; K373-E377 IonicContact NZ-OE2 3.85Å; K373-E377 PolarHBondContact NZ-OE2 2.83Å; N374-E377 HydrophobicContact CB-CG 4.06Å; N374-E377 PolarHBondContact N-OE1 3.03Å; N374-E377 WeakPolarHBondContact O-CB 3.21Å; N374-E377 PolarHBondContact O-N 3.38Å; F375-E377 VanDerWaalsContact C-N 3.33Å; F375-E377 PolarHBondContact O-N 3.29Å
378L80.6Confident78Confident17 Ų1770.6 Ų70.69%0.08937%0.373CS..  trans-114.5116.9-172.5-59.1-175.2000111.5W317 W325 K373 L382 V383W317-L378 HydrophobicContact CB-CD1 3.72Å; W317-L378 HydrophobicContact CB-CG 4.45Å; W317-L378 HydrophobicContact CD2-CB 4.29Å; W317-L378 HydrophobicContact CD2-CD1 3.98Å; W317-L378 HydrophobicContact CE3-CD1 4.48Å; W317-L378 HydrophobicContact CG-CB 4.19Å; W317-L378 HydrophobicContact CG-CD1 3.61Å; W317-L378 HydrophobicContact CG-CG 4.07Å; W325-L378 HydrophobicContact CB-CD1 3.81Å; W325-L378 HydrophobicContact CD2-CD1 3.77Å; W325-L378 HydrophobicContact CE3-CD1 4.11Å; W325-L378 HydrophobicContact CG-CD1 3.63Å; K373-L378 HydrophobicContact CD-CD1 3.96Å; K373-L378 HydrophobicContact CD-CD2 3.68Å; K373-L378 HydrophobicContact CD-CG 3.88Å; L378-L382 HydrophobicContact CD2-CD2 3.96Å; L378-V383 HydrophobicContact CB-CG2 3.82Å; L378-V383 HydrophobicContact CD1-CG2 3.99Å
379S74.4Confident76.2Confident67 Ų6780.2 Ų80.247%0.46940%0.404SS..  trans-70.7150.7166.368.30000111.3E381 L382 V383S379-E381 PolarHBondContact O-N 2.86Å; S379-E381 VanDerWaalsContact O-N 3.13Å; S379-L382 PolarHBondContact O-N 2.9Å; S379-V383 PolarHBondContact O-N 2.82Å
380L69.1Low75Confident67 Ų6781.9 Ų81.935%0.35141%0.412SS..Hα-helixtrans-49.8-39.9177.7-58.7175.2000112.6L382 V383 R384 I401L380-L382 PolarHBondContact O-N 3.1Å; L380-V383 PolarHBondContact O-N 3.36Å; L380-R384 WeakPolarHBondContact O-CB 3.43Å; L380-R384 VanDerWaalsContact O-CG 3.28Å; L380-R384 WeakPolarHBondContact O-CG 3.4Å; L380-R384 PolarHBondContact O-N 2.76Å; L380-I401 HydrophobicContact CD2-CD1 3.9Å; L380-I401 HydrophobicContact CD2-CG2 3.77Å
381E62.8Low74.1Confident158 Ų15885.1 Ų85.174%0.73841%0.412SS*.Hα-helixtrans-63.5-40.7-178.9-55.9-175.6148.300112.4S379 V383 G385S379-E381 PolarHBondContact O-N 2.86Å; S379-E381 VanDerWaalsContact O-N 3.13Å; E381-V383 VanDerWaalsContact C-N 3.34Å; E381-G385 PolarHBondContact O-N 2.87Å
382L67.6Low73.5Confident120 Ų12088.3 Ų88.363%0.62843%0.429SS*.Hα-helixtrans-71.1-32.9-179.6-163.164.8000111.4L378 S379 L380L378-L382 HydrophobicContact CD2-CD2 3.96Å; S379-L382 PolarHBondContact O-N 2.9Å; L380-L382 PolarHBondContact O-N 3.1Å
383V66Low72.9Confident6 Ų690.6 Ų90.64%0.03644%0.438CS..Hα-helixtrans-73.1-41.6175.8-177.60000111.8W317 W325 L378 S379 L380 E381 G385 L397W317-V383 HydrophobicContact CD2-CG2 4.47Å; W317-V383 HydrophobicContact CE3-CG2 4.19Å; W317-V383 HydrophobicContact CH2-CB 4.4Å; W317-V383 HydrophobicContact CH2-CG1 4.21Å; W317-V383 HydrophobicContact CH2-CG2 3.77Å; W317-V383 HydrophobicContact CZ2-CG2 4.11Å; W317-V383 HydrophobicContact CZ3-CB 4.38Å; W317-V383 HydrophobicContact CZ3-CG1 3.79Å; W317-V383 HydrophobicContact CZ3-CG2 3.82Å; W325-V383 HydrophobicContact CB-CG1 4.31Å; W325-V383 WeakPolarHBondContact O-CG1 3.46Å; L378-V383 HydrophobicContact CB-CG2 3.82Å; L378-V383 HydrophobicContact CD1-CG2 3.99Å; S379-V383 PolarHBondContact O-N 2.82Å; L380-V383 PolarHBondContact O-N 3.36Å; E381-V383 VanDerWaalsContact C-N 3.34Å; V383-G385 PolarHBondContact O-N 2.83Å; V383-G385 VanDerWaalsContact O-N 3.14Å; V383-L397 HydrophobicContact CG1-CD1 4.41Å; V383-L397 HydrophobicContact CG1-CD2 3.96Å
384R63.7Low72.4Confident110 Ų11089.7 Ų89.742%0.41544%0.436SS..SBendtrans-66.5-8.4176.6-70.6171.8-176.5163.44.7113.7L380 K386 E398L380-R384 WeakPolarHBondContact O-CB 3.43Å; L380-R384 VanDerWaalsContact O-CG 3.28Å; L380-R384 WeakPolarHBondContact O-CG 3.4Å; L380-R384 PolarHBondContact O-N 2.76Å; R384-K386 PolarHBondContact O-N 3.06Å; R384-E398 IonicContact CZ-OE1 3.79Å; R384-E398 VanDerWaalsContact CZ-OE1 3.24Å; R384-E398 IonicContact CZ-OE2 3.64Å; R384-E398 IonicContact NE-OE1 3.24Å; R384-E398 PolarHBondContact NE-OE1 2.73Å; R384-E398 IonicContact NH2-OE1 2.74Å; R384-E398 PolarHBondContact NH2-OE1 3.17Å; R384-E398 IonicContact NH2-OE2 3.25Å; R384-E398 PolarHBondContact NH2-OE2 3.26Å
385G58.9Low72.2Confident37 Ų3795.5 Ų95.538%0.38146%0.462SS..SBendtrans-54.9113.3-17200000116E381 V383 T387E381-G385 PolarHBondContact O-N 2.87Å; V383-G385 PolarHBondContact O-N 2.83Å; V383-G385 VanDerWaalsContact O-N 3.14Å; G385-T387 PolarHBondContact O-N 3.12Å; G385-T387 PolarHBondContact O-OG1 2.99Å
386K54.5Low72.1Confident216 Ų21699.7 Ų99.794%0.93948%0.48SS*.SBendtrans54.2-14.4165-70.9-176.6177.6175.30119.6R384R384-K386 PolarHBondContact O-N 3.06Å
387T54.2Low72.3Confident92 Ų9293.7 Ų93.756%0.56445%0.452SS*.  trans-91.7-34.7-169.849.70000113.8G385 R389G385-T387 PolarHBondContact O-N 3.12Å; G385-T387 PolarHBondContact O-OG1 2.99Å; T387-R389 PolarHBondContact O-N 2.84Å
388C53.1Low72.6Confident23 Ų2391.9 Ų91.916%0.15544%0.444CS..  trans-95.474.4-165.9-62.70000113.1N390 Y393 N394C388-N390 PolarHBondContact O-N 3.39Å; C388-Y393 HydrophobicContact CB-CD1 4.17Å; C388-N394 VanDerWaalsContact CB-OD1 3.3Å; C388-N394 WeakPolarHBondContact CB-OD1 3.25Å; C388-N394 PolarHBondContact O-ND2 3.46Å
389R58.8Low73.2Confident246 Ų24693.5 Ų93.593%0.92846%0.459SS*.  trans-71.8-9.5176-69.2-170-178.5-167.60.8115.1T387T387-R389 PolarHBondContact O-N 2.84Å
390N70.4Confident74.2Confident87 Ų8790.3 Ų90.347%0.46544%0.437SS..  trans-97.5128.7-179.6-173.4-0.3000111.3C388 D392 Y393 N394C388-N390 PolarHBondContact O-N 3.39Å; N390-D392 PolarHBondContact OD1-N 3.22Å; N390-Y393 PolarHBondContact O-N 3.12Å; N390-N394 PolarHBondContact O-N 3.17Å; N390-N394 PolarHBondContact O-ND2 3.39Å
391K76.7Confident75.4Confident179 Ų17987.5 Ų87.578%0.77842%0.422SS*.Hα-helixtrans-62-47.3179.1-68.7-172.3176-173.30112Y393 N394 Q395K391-Y393 PolarHBondContact O-N 3.03Å; K391-N394 PolarHBondContact O-N 3.17Å; K391-N394 VanDerWaalsContact O-N 3.13Å; K391-Q395 PolarHBondContact O-N 3.39Å
392D82.7Confident76.9Confident99 Ų9982.5 Ų82.553%0.52941%0.408SS..Hα-helixtrans-59.9-34.9-177.5-43-14.9000111.4N390 K396N390-D392 PolarHBondContact OD1-N 3.22Å; D392-K396 WeakPolarHBondContact O-CG 3.25Å; D392-K396 PolarHBondContact O-N 3.33Å; D392-K396 VanDerWaalsContact O-N 3.13Å
393Y82.9Confident78.3Confident59 Ų5978.8 Ų78.823%0.23139%0.388CS..Hα-helixtrans-68.5-47.1177.7-170.2-83.2000111.6P324 W326 C388 N390 K391 Q395 K396 L397P324-Y393 WeakPolarHBondContact CD-OH 3.35Å; P324-Y393 HydrophobicContact CG-CE1 3.54Å; P324-Y393 VanDerWaalsContact CG-OH 3.27Å; P324-Y393 WeakPolarHBondContact CG-OH 3.36Å; W326-Y393 HydrophobicContact CE3-CE1 4.32Å; W326-Y393 AromaticContact CE3-CZ 3.93Å; W326-Y393 AromaticContact CZ3-CE1 3.73Å; W326-Y393 HydrophobicContact CZ3-CE1 3.73Å; W326-Y393 HydrophobicContact CZ3-CE2 4.13Å; W326-Y393 AromaticContact CZ3-CZ 3.44Å; W326-Y393 VanDerWaalsContact CZ3-CZ 3.44Å; W326-Y393 WeakPolarHBondContact CZ3-OH 3.44Å; C388-Y393 HydrophobicContact CB-CD1 4.17Å; N390-Y393 PolarHBondContact O-N 3.12Å; K391-Y393 PolarHBondContact O-N 3.03Å; Y393-Q395 VanDerWaalsContact C-N 3.34Å; Y393-Q395 PolarHBondContact O-N 2.74Å; Y393-K396 PolarHBondContact O-N 2.83Å; Y393-L397 PolarHBondContact O-N 2.84Å
394N84.1Confident79.7Confident39 Ų3978.5 Ų78.521%0.20939%0.386CS..Hα-helixtrans-60.9-44.2174.9-69.2-79.3000110.5C388 N390 K391 K396 L397 E398C388-N394 VanDerWaalsContact CB-OD1 3.3Å; C388-N394 WeakPolarHBondContact CB-OD1 3.25Å; C388-N394 PolarHBondContact O-ND2 3.46Å; N390-N394 PolarHBondContact O-N 3.17Å; N390-N394 PolarHBondContact O-ND2 3.39Å; K391-N394 PolarHBondContact O-N 3.17Å; K391-N394 VanDerWaalsContact O-N 3.13Å; N394-K396 VanDerWaalsContact C-N 3.28Å; N394-K396 PolarHBondContact O-N 2.81Å; N394-L397 WeakPolarHBondContact O-CA 3.26Å; N394-L397 WeakPolarHBondContact O-CB 3.49Å; N394-L397 PolarHBondContact O-N 3.08Å; N394-E398 WeakPolarHBondContact O-CG 3.48Å; N394-E398 PolarHBondContact O-N 3.23Å
395Q89.7Confident81.2Confident147 Ų14777.2 Ų77.269%0.68739%0.385SS*.Hα-helixtrans-58.6-38.5178.6-170176.717.400112.8K391 Y393 A399K391-Q395 PolarHBondContact O-N 3.39Å; Y393-Q395 VanDerWaalsContact C-N 3.34Å; Y393-Q395 PolarHBondContact O-N 2.74Å; Q395-A399 WeakPolarHBondContact O-CB 3.25Å; Q395-A399 PolarHBondContact O-N 2.97Å
396K91.6Very high83Confident98 Ų9882.2 Ų82.243%0.42640%0.396SS..Hα-helixtrans-69.5-35174.8-71.5-177.4179.7-143.40112.9W326 E360 D392 Y393 N394 A400W326-K396 VanDerWaalsContact CH2-C 3.49Å; W326-K396 HydrophobicContact CH2-CB 3.88Å; E360-K396 WeakPolarHBondContact OE2-CE 3.47Å; E360-K396 IonicContact OE2-NZ 2.69Å; E360-K396 PolarHBondContact OE2-NZ 2.99Å; D392-K396 WeakPolarHBondContact O-CG 3.25Å; D392-K396 PolarHBondContact O-N 3.33Å; D392-K396 VanDerWaalsContact O-N 3.13Å; Y393-K396 PolarHBondContact O-N 2.83Å; N394-K396 VanDerWaalsContact C-N 3.28Å; N394-K396 PolarHBondContact O-N 2.81Å; K396-A400 WeakPolarHBondContact O-CB 3.29Å; K396-A400 PolarHBondContact O-N 3.46Å
397L91.4Very high84.9Confident0 Ų072 Ų720%035%0.351CS..Hα-helixtrans-66-48.2173.8176.160.5000111.2W317 W326 V383 Y393 N394 A399 A400 I401W317-L397 HydrophobicContact CZ3-CD1 4.45Å; W326-L397 HydrophobicContact CD2-CD1 4.14Å; W326-L397 HydrophobicContact CE3-CB 4.29Å; W326-L397 HydrophobicContact CE3-CD1 3.69Å; W326-L397 HydrophobicContact CH2-CB 4.02Å; W326-L397 HydrophobicContact CZ3-CB 3.66Å; W326-L397 HydrophobicContact CZ3-CD1 3.97Å; W326-L397 HydrophobicContact CZ3-CG 4.36Å; V383-L397 HydrophobicContact CG1-CD1 4.41Å; V383-L397 HydrophobicContact CG1-CD2 3.96Å; Y393-L397 PolarHBondContact O-N 2.84Å; N394-L397 WeakPolarHBondContact O-CA 3.26Å; N394-L397 WeakPolarHBondContact O-CB 3.49Å; N394-L397 PolarHBondContact O-N 3.08Å; L397-A399 VanDerWaalsContact C-N 3.29Å; L397-A399 PolarHBondContact O-N 3.38Å; L397-A400 WeakPolarHBondContact O-CB 3.46Å; L397-A400 PolarHBondContact O-N 2.8Å; L397-A400 VanDerWaalsContact O-N 3.11Å; L397-I401 HydrophobicContact CD1-CD1 3.81Å; L397-I401 HydrophobicContact CD1-CG1 4.16Å; L397-I401 HydrophobicContact CG-CD1 3.77Å; L397-I401 WeakPolarHBondContact O-CD1 3.31Å; L397-I401 VanDerWaalsContact O-CG1 3.26Å; L397-I401 WeakPolarHBondContact O-CG1 3.2Å; L397-I401 PolarHBondContact O-N 3.02Å
398E91.4Very high86.8Confident63 Ų6370.1 Ų70.129%0.29434%0.337SS..Hα-helixtrans-59-40.7175.5-59.7-57.8139.800111.5R384 N394 I401 A402R384-E398 IonicContact CZ-OE1 3.79Å; R384-E398 VanDerWaalsContact CZ-OE1 3.24Å; R384-E398 IonicContact CZ-OE2 3.64Å; R384-E398 IonicContact NE-OE1 3.24Å; R384-E398 PolarHBondContact NE-OE1 2.73Å; R384-E398 IonicContact NH2-OE1 2.74Å; R384-E398 PolarHBondContact NH2-OE1 3.17Å; R384-E398 IonicContact NH2-OE2 3.25Å; R384-E398 PolarHBondContact NH2-OE2 3.26Å; N394-E398 WeakPolarHBondContact O-CG 3.48Å; N394-E398 PolarHBondContact O-N 3.23Å; E398-I401 PolarHBondContact O-N 2.63Å; E398-A402 WeakPolarHBondContact O-CB 3.48Å; E398-A402 PolarHBondContact O-N 3.07Å
399A93.4Very high88.7Confident51 Ų5176.5 Ų76.542%0.42136%0.364SS..Hα-helixtrans-65.4-37.2175.100000113Q395 L397 M403Q395-A399 WeakPolarHBondContact O-CB 3.25Å; Q395-A399 PolarHBondContact O-N 2.97Å; L397-A399 VanDerWaalsContact C-N 3.29Å; L397-A399 PolarHBondContact O-N 3.38Å; A399-M403 WeakPolarHBondContact O-CB 3.44Å; A399-M403 PolarHBondContact O-N 3.28Å; A399-M403 VanDerWaalsContact O-N 3.08Å
400A95.4Very high90.3Very high0 Ų067 Ų670%033%0.331CS..Hα-helixtrans-67.6-37.9173.900000112.2W326 P327 F358 K396 L397 M403 A404W326-A400 HydrophobicContact CZ2-CB 3.69Å; P327-A400 HydrophobicContact CG-CB 3.84Å; F358-A400 HydrophobicContact CB-CB 4.15Å; F358-A400 WeakPolarHBondContact CB-O 3.38Å; F358-A400 VanDerWaalsContact O-CB 3.29Å; F358-A400 WeakPolarHBondContact O-CB 3.3Å; K396-A400 WeakPolarHBondContact O-CB 3.29Å; K396-A400 PolarHBondContact O-N 3.46Å; L397-A400 WeakPolarHBondContact O-CB 3.46Å; L397-A400 PolarHBondContact O-N 2.8Å; L397-A400 VanDerWaalsContact O-N 3.11Å; A400-M403 WeakPolarHBondContact O-CB 3.4Å; A400-M403 PolarHBondContact O-N 3.13Å; A400-A404 PolarHBondContact O-N 3.29Å
401I94.5Very high91.2Very high7 Ų765.6 Ų65.64%0.03632%0.324CS..Hα-helixtrans-70.9-42.8177.4-64.4161.8000111.2W317 P327 L380 L397 E398 M403 A404 H405W317-I401 HydrophobicContact CH2-CD1 3.7Å; W317-I401 HydrophobicContact CH2-CG1 3.64Å; W317-I401 HydrophobicContact CZ3-CD1 4.36Å; W317-I401 HydrophobicContact CZ3-CG1 4.25Å; P327-I401 HydrophobicContact CG-CG1 3.93Å; L380-I401 HydrophobicContact CD2-CD1 3.9Å; L380-I401 HydrophobicContact CD2-CG2 3.77Å; L397-I401 HydrophobicContact CD1-CD1 3.81Å; L397-I401 HydrophobicContact CD1-CG1 4.16Å; L397-I401 HydrophobicContact CG-CD1 3.77Å; L397-I401 WeakPolarHBondContact O-CD1 3.31Å; L397-I401 VanDerWaalsContact O-CG1 3.26Å; L397-I401 WeakPolarHBondContact O-CG1 3.2Å; L397-I401 PolarHBondContact O-N 3.02Å; E398-I401 PolarHBondContact O-N 2.63Å; I401-M403 PolarHBondContact O-N 2.79Å; I401-A404 PolarHBondContact O-N 3.06Å; I401-A404 VanDerWaalsContact O-N 3.11Å; I401-H405 PolarHBondContact O-CD2 3.17Å; I401-H405 PolarHBondContact O-N 3.17Å
402A94.9Very high91.9Very high54 Ų5457.2 Ų57.245%0.44629%0.287SS..Hα-helixtrans-62.5-28.317300000112.6E398 K406E398-A402 WeakPolarHBondContact O-CB 3.48Å; E398-A402 PolarHBondContact O-N 3.07Å; A402-K406 VanDerWaalsContact O-CG 3.29Å; A402-K406 WeakPolarHBondContact O-CG 3.46Å; A402-K406 PolarHBondContact O-N 2.76Å
403M95.9Very high92.2Very high42 Ų4254.9 Ų54.921%0.20727%0.273CS..Hα-helixtrans-75.3-40.5171.2-172.6-176.5-69.900111.9F358 G359 A399 A400 I401 K406 A407 F419F358-M403 HydrophobicContact CB-CB 4.25Å; F358-M403 HydrophobicContact CB-CG 4.34Å; F358-M403 HydrophobicContact CB-SD 4.09Å; F358-M403 HydrophobicContact CD1-CB 4.29Å; F358-M403 HydrophobicContact CD1-CG 3.69Å; F358-M403 HydrophobicContact CD1-SD 3.84Å; F358-M403 HydrophobicContact CE1-CG 4.47Å; F358-M403 HydrophobicContact CG-CG 4.4Å; F358-M403 HydrophobicContact CG-SD 4.46Å; G359-M403 PolarHBondContact N-SD 3.08Å; G359-M403 VanDerWaalsContact N-SD 3.39Å; G359-M403 WeakPolarHBondContact O-CE 3.43Å; A399-M403 WeakPolarHBondContact O-CB 3.44Å; A399-M403 PolarHBondContact O-N 3.28Å; A399-M403 VanDerWaalsContact O-N 3.08Å; A400-M403 WeakPolarHBondContact O-CB 3.4Å; A400-M403 PolarHBondContact O-N 3.13Å; I401-M403 PolarHBondContact O-N 2.79Å; M403-K406 WeakPolarHBondContact O-CB 3.31Å; M403-K406 PolarHBondContact O-N 3.43Å; M403-A407 PolarHBondContact O-N 2.86Å; M403-F419 HydrophobicContact CG-CD1 3.64Å; M403-F419 HydrophobicContact CG-CE1 3.81Å; M403-F419 HydrophobicContact SD-CD1 4.18Å
404A96.3Very high92.6Very high0 Ų056.5 Ų56.50%028%0.283CS..Hα-helixtrans-62.5-45.6176.300000112.3I315 P327 F358 F375 A400 I401 K406 A407 E408I315-A404 HydrophobicContact CG2-CB 4.43Å; P327-A404 HydrophobicContact CB-CB 3.84Å; P327-A404 HydrophobicContact CG-CB 4.35Å; F358-A404 HydrophobicContact CD2-CB 3.59Å; F358-A404 HydrophobicContact CE2-CB 3.76Å; F358-A404 HydrophobicContact CG-CB 4.09Å; F358-A404 HydrophobicContact CZ-CB 4.36Å; F375-A404 HydrophobicContact CE1-CB 4.22Å; F375-A404 HydrophobicContact CE2-CB 3.8Å; F375-A404 HydrophobicContact CZ-CB 3.53Å; A400-A404 PolarHBondContact O-N 3.29Å; I401-A404 PolarHBondContact O-N 3.06Å; I401-A404 VanDerWaalsContact O-N 3.11Å; A404-K406 VanDerWaalsContact C-N 3.29Å; A404-K406 PolarHBondContact O-N 3.02Å; A404-A407 WeakPolarHBondContact O-CB 3.29Å; A404-A407 PolarHBondContact O-N 2.98Å; A404-A407 VanDerWaalsContact O-N 3.11Å; A404-E408 PolarHBondContact O-N 3.22Å
405H95.4Very high93.1Very high82 Ų8255.3 Ų55.338%0.3828%0.276SS..Hα-helixtrans-63.3-32.5173.8-72.5-58.3000112.8F375 I401 A407 E408 Q409F375-H405 AromaticContact CE1-CE1 3.5Å; F375-H405 VanDerWaalsContact CE1-CE1 3.5Å; F375-H405 WeakPolarHBondContact CE1-CE1 3.35Å; F375-H405 AromaticContact CE1-ND1 3.45Å; F375-H405 WeakPolarHBondContact CE1-ND1 3.36Å; F375-H405 AromaticContact CZ-CE1 3.65Å; F375-H405 AromaticContact CZ-ND1 3.86Å; F375-H405 AromaticContact CZ-NE2 3.91Å; I401-H405 PolarHBondContact O-CD2 3.17Å; I401-H405 PolarHBondContact O-N 3.17Å; H405-A407 VanDerWaalsContact C-N 3.34Å; H405-E408 IonicContact CE1-OE2 3.66Å; H405-E408 IonicContact CG-OE2 2.77Å; H405-E408 IonicContact ND1-OE2 2.93Å; H405-E408 PolarHBondContact ND1-OE2 3Å; H405-E408 WeakPolarHBondContact O-CB 3.43Å; H405-E408 PolarHBondContact O-N 3.29Å; H405-Q409 WeakPolarHBondContact O-CG 3.42Å; H405-Q409 PolarHBondContact O-N 2.97Å
406K95.7Very high93.2Very high143 Ų14349.4 Ų49.462%0.62225%0.249SC*.Hα-helixtrans-67.2-34.7172.5-76.1175.3179.5-171.50112.7A402 M403 A404 F419A402-K406 VanDerWaalsContact O-CG 3.29Å; A402-K406 WeakPolarHBondContact O-CG 3.46Å; A402-K406 PolarHBondContact O-N 2.76Å; M403-K406 WeakPolarHBondContact O-CB 3.31Å; M403-K406 PolarHBondContact O-N 3.43Å; A404-K406 VanDerWaalsContact C-N 3.29Å; A404-K406 PolarHBondContact O-N 3.02Å; K406-F419 HydrophobicContact CB-CZ 3.86Å
407A95.1Very high93.2Very high0 Ų048.7 Ų48.70%025%0.25CS..Hα-helixtrans-69.7-34.2171.600000111.9I315 F358 M403 A404 H405 Q409 I410 R415 F419I315-A407 HydrophobicContact CD1-CB 3.8Å; F358-A407 HydrophobicContact CE1-CB 3.74Å; F358-A407 HydrophobicContact CZ-CB 3.75Å; M403-A407 PolarHBondContact O-N 2.86Å; A404-A407 WeakPolarHBondContact O-CB 3.29Å; A404-A407 PolarHBondContact O-N 2.98Å; A404-A407 VanDerWaalsContact O-N 3.11Å; H405-A407 VanDerWaalsContact C-N 3.34Å; A407-Q409 VanDerWaalsContact C-N 3.34Å; A407-Q409 PolarHBondContact O-N 3.39Å; A407-I410 WeakPolarHBondContact O-CG1 3.38Å; A407-I410 PolarHBondContact O-N 3.01Å; A407-R415 HydrophobicContact CB-CB 4Å; A407-R415 WeakPolarHBondContact O-CD 3.25Å; A407-F419 HydrophobicContact CB-CD2 3.59Å; A407-F419 HydrophobicContact CB-CE2 3.93Å; A407-F419 HydrophobicContact CB-CG 4.18Å
408E93.6Very high93.3Very high54 Ų5453.8 Ų53.825%0.25228%0.277SS..Hα-helixtrans-65.7-31.2179.3-172.9175.4-139.400113.4I315 F375 A404 H405 I410I315-E408 HydrophobicContact CD1-CB 3.87Å; F375-E408 WeakPolarHBondContact CD1-OE1 3.41Å; A404-E408 PolarHBondContact O-N 3.22Å; H405-E408 IonicContact CE1-OE2 3.66Å; H405-E408 IonicContact CG-OE2 2.77Å; H405-E408 IonicContact ND1-OE2 2.93Å; H405-E408 PolarHBondContact ND1-OE2 3Å; H405-E408 WeakPolarHBondContact O-CB 3.43Å; H405-E408 PolarHBondContact O-N 3.29Å; E408-I410 VanDerWaalsContact C-N 3.3Å; E408-I410 PolarHBondContact O-N 3.5Å
409Q92.5Very high93.4Very high156 Ų15652.4 Ų52.473%0.72927%0.27SS*.THydrogen-bonded Turntrans-81.10.4-179.4-61.5-52.4-68.600115.1H405 A407H405-Q409 WeakPolarHBondContact O-CG 3.42Å; H405-Q409 PolarHBondContact O-N 2.97Å; A407-Q409 VanDerWaalsContact C-N 3.34Å; A407-Q409 PolarHBondContact O-N 3.39Å
410I92Very high93.4Very high47 Ų4750 Ų5024%0.24125%0.25CC..SBendtrans-127.5162.9179.767179.2000111.2A407 E408 E414 R415 L418 F419A407-I410 WeakPolarHBondContact O-CG1 3.38Å; A407-I410 PolarHBondContact O-N 3.01Å; E408-I410 VanDerWaalsContact C-N 3.3Å; E408-I410 PolarHBondContact O-N 3.5Å; I410-E414 HydrophobicContact CD1-CB 3.98Å; I410-E414 HydrophobicContact CG1-CB 4.38Å; I410-R415 HydrophobicContact CD1-CB 3.95Å; I410-R415 HydrophobicContact CG1-CB 3.81Å; I410-R415 PolarHBondContact O-NH1 3.21Å; I410-L418 HydrophobicContact CD1-CD1 3.83Å; I410-F419 HydrophobicContact CD1-CD2 4.36Å; I410-F419 HydrophobicContact CD1-CE2 3.84Å
411N90.1Very high93.3Very high58 Ų5851 Ų5131%0.3126%0.255SS..  trans-66.7161.1-176.76659.6000112.5D268 Q413 E414 R415D268-N411 HydrophobicContact CB-CB 4.3Å; N411-Q413 VanDerWaalsContact C-N 3.31Å; N411-Q413 PolarHBondContact O-N 3.25Å; N411-Q413 WeakPolarHBondContact OD1-CB 3.45Å; N411-Q413 PolarHBondContact OD1-N 3.17Å; N411-E414 PolarHBondContact ND2-OE1 3.17Å; N411-E414 PolarHBondContact O-N 2.78Å; N411-E414 WeakPolarHBondContact OD1-CB 3.41Å; N411-E414 WeakPolarHBondContact OD1-CG 3.47Å; N411-E414 PolarHBondContact OD1-N 2.93Å; N411-R415 WeakPolarHBondContact O-CG 3.45Å; N411-R415 PolarHBondContact O-N 2.78Å
412I90.4Very high93Very high2 Ų260.4 Ų60.41%0.0129%0.29CS..Hα-helixtrans-52.3-46.3-178.5-78.5-177.7000112.8F245 G267 I269 D270 V311 R415 V416F245-I412 HydrophobicContact CE1-CG2 3.59Å; F245-I412 HydrophobicContact CE2-CG2 3.85Å; F245-I412 HydrophobicContact CZ-CG2 3.15Å; G267-I412 WeakPolarHBondContact O-CG2 3.37Å; I269-I412 VanDerWaalsContact C-CD1 3.44Å; I269-I412 WeakPolarHBondContact O-CD1 3.49Å; D270-I412 HydrophobicContact CB-CD1 3.91Å; D270-I412 HydrophobicContact CB-CG1 4.42Å; V311-I412 HydrophobicContact CG2-CD1 4.39Å; I412-R415 WeakPolarHBondContact O-CG 3.5Å; I412-R415 PolarHBondContact O-N 3.09Å; I412-V416 PolarHBondContact O-N 2.74Å
413Q89.9Confident92.7Very high51 Ų5160.4 Ų60.424%0.23829%0.286CS..Hα-helixtrans-61.8-50.2-177.9-17664.520.300110.6G243 F245 N411 N417G243-Q413 PolarHBondContact O-NE2 3.07Å; F245-Q413 VanDerWaalsContact CG-OE1 3.3Å; N411-Q413 VanDerWaalsContact C-N 3.31Å; N411-Q413 PolarHBondContact O-N 3.25Å; N411-Q413 WeakPolarHBondContact OD1-CB 3.45Å; N411-Q413 PolarHBondContact OD1-N 3.17Å; Q413-N417 PolarHBondContact NE2-ND2 3.17Å; Q413-N417 PolarHBondContact O-N 3.34Å; Q413-N417 PolarHBondContact O-ND2 2.95Å
414E91.6Very high92.5Very high92 Ų9260.4 Ų60.443%0.4328%0.284SS..Hα-helixtrans-66.7-40-179.5-74168.3-148.400112.6I410 N411 N417 L418I410-E414 HydrophobicContact CD1-CB 3.98Å; I410-E414 HydrophobicContact CG1-CB 4.38Å; N411-E414 PolarHBondContact ND2-OE1 3.17Å; N411-E414 PolarHBondContact O-N 2.78Å; N411-E414 WeakPolarHBondContact OD1-CB 3.41Å; N411-E414 WeakPolarHBondContact OD1-CG 3.47Å; N411-E414 PolarHBondContact OD1-N 2.93Å; E414-N417 PolarHBondContact O-N 3.2Å; E414-L418 WeakPolarHBondContact O-CB 3.47Å; E414-L418 WeakPolarHBondContact O-CG 3.22Å; E414-L418 PolarHBondContact O-N 2.98Å
415R93.8Very high92.1Very high15 Ų1566.6 Ų66.66%0.05731%0.308CS..Hα-helixtrans-70.6-32.8-178.265.6-163.9-165.2-153.810.9114.5D270 G313 M329 A407 I410 N411 I412 F419D270-R415 IonicContact OD2-CZ 2.8Å; D270-R415 IonicContact OD2-NH2 3.85Å; D270-R415 PolarHBondContact OD2-NH2 3.23Å; G313-R415 VanDerWaalsContact O-CZ 3.24Å; G313-R415 PolarHBondContact O-NE 3.5Å; G313-R415 PolarHBondContact O-NH2 2.9Å; M329-R415 HydrophobicContact SD-CB 4.35Å; M329-R415 HydrophobicContact SD-CG 4Å; A407-R415 HydrophobicContact CB-CB 4Å; A407-R415 WeakPolarHBondContact O-CD 3.25Å; I410-R415 HydrophobicContact CD1-CB 3.95Å; I410-R415 HydrophobicContact CG1-CB 3.81Å; I410-R415 PolarHBondContact O-NH1 3.21Å; N411-R415 WeakPolarHBondContact O-CG 3.45Å; N411-R415 PolarHBondContact O-N 2.78Å; I412-R415 WeakPolarHBondContact O-CG 3.5Å; I412-R415 PolarHBondContact O-N 3.09Å; R415-F419 HydrophobicContact CB-CD2 4.15Å; R415-F419 WeakPolarHBondContact O-CA 3.47Å; R415-F419 WeakPolarHBondContact O-CB 3.45Å; R415-F419 PolarHBondContact O-N 3.46Å
416V92.7Very high91Very high22 Ų2266.6 Ų66.613%0.13332%0.317CS..Hα-helixtrans-69.3-40.2170-1790000110.7F245 G313 M329 E331 I412 L418 G420F245-V416 HydrophobicContact CE2-CB 3.67Å; F245-V416 HydrophobicContact CE2-CG1 4.28Å; F245-V416 HydrophobicContact CE2-CG2 3.5Å; F245-V416 HydrophobicContact CZ-CB 4.33Å; F245-V416 HydrophobicContact CZ-CG2 3.65Å; G313-V416 VanDerWaalsContact CA-CG2 3.45Å; M329-V416 HydrophobicContact CE-CB 4.45Å; M329-V416 HydrophobicContact CE-CG2 4.17Å; M329-V416 HydrophobicContact SD-CG2 4.1Å; E331-V416 HydrophobicContact CG-CG1 4.21Å; I412-V416 PolarHBondContact O-N 2.74Å; V416-L418 PolarHBondContact O-N 3.42Å; V416-G420 WeakPolarHBondContact O-CA 3.41Å; V416-G420 PolarHBondContact O-N 3.36Å
417N91.9Very high89.1Confident84 Ų8462.4 Ų62.445%0.44932%0.315SS..Hα-helixtrans-65.5-39.6177.7-75.1-54.7000112.7Q413 E414 S423Q413-N417 PolarHBondContact NE2-ND2 3.17Å; Q413-N417 PolarHBondContact O-N 3.34Å; Q413-N417 PolarHBondContact O-ND2 2.95Å; E414-N417 PolarHBondContact O-N 3.2Å; N417-S423 WeakPolarHBondContact O-CB 3.31Å; N417-S423 PolarHBondContact O-OG 2.9Å
418L93Very high87Confident107 Ų10767 Ų6756%0.5635%0.347SS*.Hα-helixtrans-88-35.1-177.5-67.4172.3000114.4I410 E414 V416I410-L418 HydrophobicContact CD1-CD1 3.83Å; E414-L418 WeakPolarHBondContact O-CB 3.47Å; E414-L418 WeakPolarHBondContact O-CG 3.22Å; E414-L418 PolarHBondContact O-N 2.98Å; V416-L418 PolarHBondContact O-N 3.42Å
419F94.1Very high84.7Confident34 Ų3471.1 Ų71.115%0.14937%0.37CS..Hα-helixtrans-119.41.6-174.6-55.3-76.8000114.4M329 F358 M403 K406 A407 I410 R415 R424M329-F419 HydrophobicContact CE-CB 4.32Å; F358-F419 HydrophobicContact CD1-CB 4.39Å; F358-F419 HydrophobicContact CE1-CB 3.8Å; F358-F419 HydrophobicContact CE1-CG 4.29Å; M403-F419 HydrophobicContact CG-CD1 3.64Å; M403-F419 HydrophobicContact CG-CE1 3.81Å; M403-F419 HydrophobicContact SD-CD1 4.18Å; K406-F419 HydrophobicContact CB-CZ 3.86Å; A407-F419 HydrophobicContact CB-CD2 3.59Å; A407-F419 HydrophobicContact CB-CE2 3.93Å; A407-F419 HydrophobicContact CB-CG 4.18Å; I410-F419 HydrophobicContact CD1-CD2 4.36Å; I410-F419 HydrophobicContact CD1-CE2 3.84Å; R415-F419 HydrophobicContact CB-CD2 4.15Å; R415-F419 WeakPolarHBondContact O-CA 3.47Å; R415-F419 WeakPolarHBondContact O-CB 3.45Å; R415-F419 PolarHBondContact O-N 3.46Å; F419-R424 PolarHBondContact O-NE 3.38Å; F419-R424 PolarHBondContact O-NH2 2.96Å
420G92.8Very high82.2Confident0 Ų067.8 Ų67.80%036%0.364CS..SBendtrans-65.7178.4174.400000113.8E331 V416E331-G420 WeakPolarHBondContact OE1-CA 3.25Å; E331-G420 WeakPolarHBondContact OE2-CA 3.38Å; V416-G420 WeakPolarHBondContact O-CA 3.41Å; V416-G420 PolarHBondContact O-N 3.36Å
421F93.1Very high80Confident22 Ų2271.1 Ų71.110%0.09639%0.392CS..Hα-helixtrans-66.3-48.5178.8-175.4-92.8000110.4E331 P334 T356 V362 R364 S423 R424 Y425E331-F421 PolarHBondContact OE1-N 3.5Å; E331-F421 WeakPolarHBondContact OE2-CB 3.16Å; E331-F421 PolarHBondContact OE2-N 3.18Å; P334-F421 HydrophobicContact CG-CD1 3.96Å; P334-F421 HydrophobicContact CG-CE1 4.15Å; T356-F421 HydrophobicContact CG2-CB 3.98Å; T356-F421 HydrophobicContact CG2-CD2 4.44Å; V362-F421 HydrophobicContact CG1-CD2 4.31Å; V362-F421 HydrophobicContact CG1-CE2 4.28Å; V362-F421 HydrophobicContact CG2-CD2 3.85Å; R364-F421 HydrophobicContact CB-CD2 4.13Å; R364-F421 HydrophobicContact CB-CE2 4.42Å; R364-F421 HydrophobicContact CG-CD2 4.03Å; R364-F421 HydrophobicContact CG-CE2 3.9Å; F421-S423 PolarHBondContact O-N 3.08Å; F421-R424 PolarHBondContact O-N 3.42Å; F421-Y425 HydrophobicContact CD1-CG 4.43Å; F421-Y425 AromaticContact CE1-CD1 3.98Å; F421-Y425 HydrophobicContact CE1-CD1 3.98Å; F421-Y425 AromaticContact CE1-CD2 3.97Å; F421-Y425 HydrophobicContact CE1-CD2 3.97Å; F421-Y425 AromaticContact CE1-CG 3.63Å; F421-Y425 HydrophobicContact CE1-CG 3.63Å; F421-Y425 AromaticContact CE2-CD2 4Å; F421-Y425 HydrophobicContact CE2-CD2 4Å; F421-Y425 HydrophobicContact CE2-CG 4.38Å; F421-Y425 HydrophobicContact CZ-CD1 4.22Å; F421-Y425 AromaticContact CZ-CD2 3.4Å; F421-Y425 HydrophobicContact CZ-CD2 3.4Å; F421-Y425 AromaticContact CZ-CE2 3.88Å; F421-Y425 HydrophobicContact CZ-CE2 3.88Å; F421-Y425 AromaticContact CZ-CG 3.59Å; F421-Y425 HydrophobicContact CZ-CG 3.59Å; F421-Y425 WeakPolarHBondContact O-CB 3.36Å; F421-Y425 PolarHBondContact O-N 3.33Å
422R88.1Confident77.7Confident204 Ų20472.3 Ų72.377%0.7742%0.418SS*.Hα-helixtrans-61.2-44.6-170-168.4173.1-177.5170.4-0.3113.2S426R422-S426 PolarHBondContact O-N 3.47Å; R422-S426 PolarHBondContact O-OG 3.3Å
423S89.2Confident75.3Confident54 Ų5479 Ų7938%0.37845%0.449SS..Hα-helixtrans-72.6-41.9179.347.20000112.8N417 F421N417-S423 WeakPolarHBondContact O-CB 3.31Å; N417-S423 PolarHBondContact O-OG 2.9Å; F421-S423 PolarHBondContact O-N 3.08Å
424R91.4Very high73.2Confident41 Ų4180.7 Ų80.716%0.15548%0.48CS..Hα-helixtrans-75.6-27.7179.4-67.7-166.2-73142.7-5.5114Y357 G359 V362 F419 F421Y357-R424 PolarHBondContact O-NH1 2.94Å; Y357-R424 VanDerWaalsContact O-NH1 3.09Å; Y357-R424 PolarHBondContact O-NH2 3.07Å; G359-R424 PolarHBondContact O-NH1 2.92Å; V362-R424 HydrophobicContact CB-CB 3.87Å; V362-R424 HydrophobicContact CG1-CB 4.05Å; V362-R424 HydrophobicContact CG2-CB 4.19Å; F419-R424 PolarHBondContact O-NE 3.38Å; F419-R424 PolarHBondContact O-NH2 2.96Å; F421-R424 PolarHBondContact O-N 3.42Å
425Y87.4Confident70.7Confident131 Ų13184 Ų8451%0.51449%0.493SS..Hα-helixtrans-76.4-51179.7-172-102.6000111.5V362 F421 G427 S428V362-Y425 HydrophobicContact CG1-CD2 4.2Å; F421-Y425 HydrophobicContact CD1-CG 4.43Å; F421-Y425 AromaticContact CE1-CD1 3.98Å; F421-Y425 HydrophobicContact CE1-CD1 3.98Å; F421-Y425 AromaticContact CE1-CD2 3.97Å; F421-Y425 HydrophobicContact CE1-CD2 3.97Å; F421-Y425 AromaticContact CE1-CG 3.63Å; F421-Y425 HydrophobicContact CE1-CG 3.63Å; F421-Y425 AromaticContact CE2-CD2 4Å; F421-Y425 HydrophobicContact CE2-CD2 4Å; F421-Y425 HydrophobicContact CE2-CG 4.38Å; F421-Y425 HydrophobicContact CZ-CD1 4.22Å; F421-Y425 AromaticContact CZ-CD2 3.4Å; F421-Y425 HydrophobicContact CZ-CD2 3.4Å; F421-Y425 AromaticContact CZ-CE2 3.88Å; F421-Y425 HydrophobicContact CZ-CE2 3.88Å; F421-Y425 AromaticContact CZ-CG 3.59Å; F421-Y425 HydrophobicContact CZ-CG 3.59Å; F421-Y425 WeakPolarHBondContact O-CB 3.36Å; F421-Y425 PolarHBondContact O-N 3.33Å; Y425-G427 PolarHBondContact O-N 3.48Å; Y425-G427 VanDerWaalsContact O-N 3.12Å; Y425-S428 PolarHBondContact O-N 3.44Å
426S72.4Confident67.8Low82 Ų8289.3 Ų89.357%0.57352%0.523SS*.Hα-helixtrans-65.1-15.7-179.3-65.20000114.5R422 S428R422-S426 PolarHBondContact O-N 3.47Å; R422-S426 PolarHBondContact O-OG 3.3Å; S426-S428 VanDerWaalsContact C-N 3.26Å; S426-S428 PolarHBondContact O-N 3.03Å
427G55.6Low65.5Low55 Ų5596.2 Ų96.257%0.56756%0.558SS**THydrogen-bonded Turntrans-73.9-3.517800000116Y425Y425-G427 PolarHBondContact O-N 3.48Å; Y425-G427 VanDerWaalsContact O-N 3.12Å
428S50.7Low62.7Low96 Ų9699.4 Ų99.467%0.67157%0.572SS**THydrogen-bonded Turntrans-98.4-24-175.3-62.70000115.4Y425 S426Y425-S428 PolarHBondContact O-N 3.44Å; S426-S428 VanDerWaalsContact C-N 3.26Å; S426-S428 PolarHBondContact O-N 3.03Å
429D46.8Very low60Low140 Ų140102.2 Ų102.275%0.74959%0.587SS**SBendtrans-100.4-8.5-171.6-68.9-30.5000114.1S431D429-S431 PolarHBondContact O-N 3.23Å
430S39.8Very low57Low86 Ų86111.8 Ų111.860%0.60162%0.622SS**SBendtrans-75.6117.8170.858.40000110.8
431S44.3Very low54.1Low117 Ų117120.2 Ų120.282%0.81866%0.661SS**  trans-53.6137.9176.949.20000112.2D429 E433D429-S431 PolarHBondContact O-N 3.23Å; S431-E433 PolarHBondContact O-N 3.23Å; S431-E433 VanDerWaalsContact O-N 3.09Å
432G42.5Very low51.1Low83 Ų83125.3 Ų125.386%0.85670%0.7SS**  trans-62.3109.6-16100000116.1
433E39.7Very low48.2Very low144 Ų144120.9 Ų120.967%0.67370%0.7SS**  trans-104.6122.8147.5-69.6-163.6134.100109S431 K435S431-E433 PolarHBondContact O-N 3.23Å; S431-E433 VanDerWaalsContact O-N 3.09Å; E433-K435 PolarHBondContact O-N 3.28Å; E433-K435 VanDerWaalsContact OE2-CE 3.25Å; E433-K435 WeakPolarHBondContact OE2-CE 3.27Å; E433-K435 IonicContact OE2-NZ 2.68Å; E433-K435 PolarHBondContact OE2-NZ 2.84Å
434G46.8Very low45.4Very low86 Ų86123.6 Ų123.689%0.88772%0.719SS**  trans-72.3108.6172.800000110.6
435K39.1Very low42.9Very low160 Ų160127.3 Ų127.370%0.69675%0.748SS**  trans-108.3100.7170.8-74.7171.7-174.7157.30108.6E433 L437E433-K435 PolarHBondContact O-N 3.28Å; E433-K435 VanDerWaalsContact OE2-CE 3.25Å; E433-K435 WeakPolarHBondContact OE2-CE 3.27Å; E433-K435 IonicContact OE2-NZ 2.68Å; E433-K435 PolarHBondContact OE2-NZ 2.84Å; K435-L437 PolarHBondContact O-N 2.85Å
436D33.2Very low40Very low127 Ų127130.3 Ų130.368%0.67977%0.767SS**  trans-63.2111.5-179.6-173.228.3000110M438D436-M438 PolarHBondContact O-N 2.76Å; D436-M438 WeakPolarHBondContact OD2-CE 3.47Å
437L44.3Very low37.9Very low168 Ų168131.4 Ų131.488%0.8878%0.775SS**  trans-81.569179.4-79.6171.6000110.2K435 L439K435-L437 PolarHBondContact O-N 2.85Å; L437-L439 PolarHBondContact O-N 3.46Å; L437-L439 VanDerWaalsContact O-N 3.08Å
438M31.7Very low36.4Very low150 Ų150133.7 Ų133.774%0.73978%0.781SS**  trans-60.9108.3168-83.7-73.7171.400110.1D436 R440D436-M438 PolarHBondContact O-N 2.76Å; D436-M438 WeakPolarHBondContact OD2-CE 3.47Å; M438-R440 PolarHBondContact O-N 3.38Å; M438-R440 VanDerWaalsContact O-N 3.13Å
439L38.1Very low35.4Very low167 Ų167135.5 Ų135.587%0.87478%0.783SS**  trans-58.8112.8165.7-71.8167.7000108.4L437 E441L437-L439 PolarHBondContact O-N 3.46Å; L437-L439 VanDerWaalsContact O-N 3.08Å; L439-E441 PolarHBondContact O-N 3.49Å
440R30.5Very low34.7Very low235 Ų235136.1 Ų136.189%0.88778%0.781SS**  trans-8994.4178.7-163.7172.9-164.7-110.50.1109.6M438M438-R440 PolarHBondContact O-N 3.38Å; M438-R440 VanDerWaalsContact O-N 3.13Å
441E31.2Very low34.3Very low176 Ų176142 Ų14282%0.82280%0.796SS**  trans-56.9137.2170.2-68.6-176.9121.700110.8L439 S443L439-E441 PolarHBondContact O-N 3.49Å; E441-S443 PolarHBondContact O-N 2.99Å; E441-S443 VanDerWaalsContact O-N 3.07Å
442S31.2Very low33.7Very low129 Ų129144.5 Ų144.590%0.90279%0.794SS**  trans-79.187.3-177.4-61.50000111.4
443S27.5Very low33.1Very low111 Ų111150.6 Ų150.678%0.77680%0.797SS**PPolyproline II helixtrans-79.1142.5166.7490000112E441E441-S443 PolarHBondContact O-N 2.99Å; E441-S443 VanDerWaalsContact O-N 3.07Å
444S29.6Very low32.5Very low111 Ų111150.9 Ų150.978%0.77680%0.804SS**PPolyproline II helixtrans-62.3145.3-176.4-173.30000112.5
445P38.8Very low31.5Very low119 Ų119152.2 Ų152.277%0.77380%0.799SS**PPolyproline II helixtrans-74.9140.2174.731.4-35.4000111.7
446E26.9Very low30.8Very low194 Ų194147.4 Ų147.491%0.90780%0.795SS**  trans-147.6171.9156.6-137.8174.7-163.300111.8
447S28.1Very low30.5Very low105 Ų105150.2 Ų150.273%0.73480%0.804SS**  trans-70.6173.5-162.583.20000115.6
448C23.9Very low29.9Very low104 Ų104150.7 Ų150.770%0.70380%0.802SS**  cis-163.3167.9-1.1-138.20000112
449L30Very low29.7Very low134 Ų134151.4 Ų151.470%0.70280%0.804SS**  trans43.7112.2150-68.4166.4000121.8
450Q31.8Very low29.4Very low153 Ų153150.6 Ų150.672%0.71579%0.793SS**  27.9126.2123.7-65.8173.6-59.300119.8
451K30.7Very low29.3Very low210 Ų210146.6 Ų146.691%0.91378%0.784SS**  -147.1110.7129-121.5164.7-169.4165.10111.9
452E31.9Very low29.2Very low168 Ų168145.7 Ų145.779%0.78578%0.78SS**  trans-69.4140.8165.1-62166.1158.500109.3
453K30.4Very low29.2Very low211 Ų211147 Ų14792%0.91777%0.769SS**  trans-143.5121.9140-84.4-143.9169.1-164.50109
454D26Very low29.4Very low151 Ų151150.1 Ų150.181%0.80777%0.772SS**  trans-91.9175.7174.8-174.228.1000110.5
455S25.8Very low29.5Very low113 Ų113151.2 Ų151.279%0.7977%0.769SS**  trans65.8143.4179.882.70000117.6
456G24.9Very low29.7Very low60 Ų60150.7 Ų150.762%0.61977%0.765SS**  cis141.5140.5-6.900000112.3
457E27.9Very low29.7Very low185 Ų185147.3 Ų147.386%0.86476%0.758SS**  trans63.5158.1167.6-69154.4-171.900115.1
458E30.5Very low30.1Very low178 Ų178149.5 Ų149.583%0.83276%0.761SS**  cis-145.3-173.3-0.9-139.5173.9-162.400111.8
459E29Very low30.5Very low166 Ų166149.6 Ų149.678%0.77676%0.76SS**  trans-75.4159.1-170.1-48.8178.5144.300115.7
460K30Very low30.5Very low149 Ų149152.5 Ų152.565%0.64877%0.767SS**  -179.3150.4106.1-105.7177.9176.8-69.40116.5
461E28.8Very low30.5Very low151 Ų151151.4 Ų151.471%0.70677%0.774SS**  trans24.9141.1135.4-74.4159.7-170.500120.5
462E29.8Very low30.6Very low157 Ų157151 Ų15173%0.73477%0.772SS**  cis-169.2164-2-170.2-161.8-16600108.2
463K31.8Very low31Very low156 Ų156148.9 Ų148.968%0.67877%0.773SS**  trans118.9130.7143.7-66.1-149.4175.4-167.20121.9
464E31.8Very low30.9Very low178 Ų178143.7 Ų143.783%0.83277%0.769SS**  trans65.4112.7151.2-54.4-80.4139.600120
465D30.6Very low31.3Very low133 Ų133146 Ų14671%0.71177%0.772SS**  trans-110.8135.8157.5177.751.1000106.8T467D465-T467 PolarHBondContact OD1-N 2.64Å; D465-T467 VanDerWaalsContact OD1-N 3.11Å
466P42.8Very low31.8Very low108 Ų108148.2 Ų148.270%0.70177%0.773SS**  -142.9135.788.233.5-15.8000115.2
467T28.2Very low32.2Very low124 Ų124153.8 Ų153.876%0.76178%0.783SS**  162.5132.5117.4-67.70000113.9D465D465-T467 PolarHBondContact OD1-N 2.64Å; D465-T467 VanDerWaalsContact OD1-N 3.11Å
468L34.9Very low32.3Very low150 Ų150150.5 Ų150.579%0.78578%0.776SS**  trans-96.9176.2179.2-63.2170.8000112.5
469P33.5Very low32.4Very low106 Ų106150.8 Ų150.869%0.68877%0.774SS**  cis-138.9168.7-49.439.4-24000114.9
470K30.1Very low32.6Very low196 Ų196151.9 Ų151.985%0.85278%0.777SS**  trans35.1120.1147.5-65.4174.5-179.3171.20121.2
471P30.8Very low32.6Very low130 Ų130152.1 Ų152.184%0.84478%0.783SS**  trans-86.2128.9160.233.3-31.7000113.7
472K33.2Very low32.8Very low202 Ų202154.6 Ų154.688%0.87879%0.792SS**  trans-151.5165.5161.9-88.7-156.5179.8-175.20108
473P39.3Very low33Very low123 Ų123152.9 Ų152.980%0.79980%0.797SS**  -106.2166.8-96.213.310.4000113.5
474A29.4Very low32.9Very low102 Ų102157.1 Ų157.184%0.84381%0.809SS**  trans-71.8140.2-177.200000114.1
475K33.6Very low32.6Very low198 Ų198151.4 Ų151.486%0.86180%0.798SS**  trans-146.8118.3167.7-138.3177.3-171.5177.10109.4
476I36.7Very low33.9Very low161 Ų161151.3 Ų151.383%0.82680%0.804SS**  trans-127.8111.9177-59.9179.3000105.4
477Q33.7Very low33.3Very low176 Ų176151.1 Ų151.182%0.82281%0.812SS**  81.1158.461.2-66.5-13758.600113.9
478T30.2Very low33.2Very low117 Ų117149.2 Ų149.272%0.71882%0.817SS**  trans-148.4161.7-140.5-16.90000115.8
479K32.9Very low32.8Very low183 Ų183146.1 Ų146.180%0.79682%0.821SS**  trans93142.3148.4-72.5160.9-179.51690121.5
480K33.7Very low32.7Very low190 Ų190150.6 Ų150.683%0.82683%0.833SS**  trans78.7153.9152.4-75.7173.8172.9-174.90117.9
481I29.4Very low32.6Very low154 Ų154145.4 Ų145.479%0.7984%0.835SS**  cis-146178.18.4-132.9157.4000114.2
482K33.2Very low32.5Very low203 Ų203143.2 Ų143.288%0.88384%0.836SS**  trans-87.2152.4-168.9-74.9-179.4171.1-179.30118
483S33.1Very low32.3Very low121 Ų121145.1 Ų145.185%0.84684%0.838SS**  trans-164.6163.8136.198.80000109.5
484R29.1Very low32.6Very low245 Ų245143.6 Ų143.693%0.92583%0.828SS**  cis-150.5-131.3-17.1-159-177.8172.7153.6-0109.5
485G27.1Very low32.8Very low58 Ų58148.1 Ų148.160%0.59883%0.829SS**  trans165.5-179.9177.400000111
486P57.5Low32.8Very low131 Ų131146.7 Ų146.785%0.85183%0.825SS**  cis-140.7-164.87.744.2-25.3000116.2
487A28.8Very low32.5Very low104 Ų104148.7 Ų148.786%0.8683%0.827SS**  trans103.5133.9148.200000121.8
488G27.4Very low32.5Very low84 Ų84146 Ų14687%0.86682%0.823SS**  trans116.4126.1147.200000119.3
489G27.2Very low32.5Very low85 Ų85147.1 Ų147.188%0.87683%0.83SS**  trans113.2113144.700000119.3
490Q31.5Very low32.7Very low200 Ų200147.7 Ų147.794%0.93583%0.832SS**  trans-59.7153.1-179.8-59.9169.3-9.300118
491G26.5Very low32.5Very low86 Ų86148 Ų14889%0.88783%0.834SS**  103.1133.4112.500000120.4
492G28.1Very low32.6Very low85 Ų85145 Ų14588%0.87683%0.826SS**  trans13192.3153.900000118.9
493R29.2Very low32.5Very low242 Ų242142.9 Ų142.991%0.91382%0.824SS**  trans-137.9169.8152.6-124.7-163.2-176.7-133.93.7106.2
494P47.3Very low32.2Very low91 Ų91142.3 Ų142.359%0.59182%0.819SS**  cis-127.4-166.7-24.235-16000111.1
495K32.4Very low32.3Very low197 Ų197135.6 Ų135.686%0.85781%0.81SS**  177.6151.3112.7-98.1175.7-178.4179.30115.9
496E34.8Very low32.3Very low167 Ų167142.1 Ų142.178%0.7883%0.825SS**  trans-82.6170.3168.9107.4-138.8-9900111.6
497K30.4Very low30.9Very low203 Ų203140.5 Ų140.588%0.88382%0.817SS**  trans-164.2150.7149.1-117.8171.9-176.5-176.90114.1
498T31.9Very low30.7Very low120 Ų120141.5 Ų141.574%0.73681%0.812SS**  trans-129.3140.8-176.4-51.30000110.5
499V31.7Very low31.1Very low140 Ų140144.8 Ų144.885%0.84881%0.809SS**  trans-143.5156.2169.9-173.80000110.1
500K36Very low31.7Very low195 Ų195145.8 Ų145.885%0.84880%0.8SS**  trans-120.7-175-178.8-74.1-173.9172-174.80111.8
501K30.3Very low31.6Very low198 Ų198144.1 Ų144.186%0.86180%0.796SS**  trans84.6147166.7-112.8-176.4179.7-177.40114.7
502S30.9Very low31.9Very low90 Ų90144 Ų14463%0.62979%0.787SS**  cis-155.1151.54.4-30.40000113.7
503L31.3Very low32.8Very low159 Ų159145.5 Ų145.583%0.83278%0.781SS**  trans43151.2134.2-83.7157.7000124.9
504S25.8Very low32.9Very low108 Ų108140.1 Ų140.176%0.75578%0.775SS**  trans64.6154.1159.545.80000119.3
505S31.6Very low32.1Very low105 Ų105143.6 Ų143.673%0.73479%0.788SS**  cis176.8165.3-4346.20000109.4
506E26.8Very low31.8Very low194 Ų194137.9 Ų137.991%0.90779%0.785SS**  trans88.5167.9163.9-142.3163.1131.200118.7
507S29.7Very low31.5Very low97 Ų97133.4 Ų133.468%0.67878%0.783SS**  trans-119.6167.6-153.8178.20000112.4
508T23.6Very low31.7Very low125 Ų125131.7 Ų131.777%0.76778%0.776SS**  172.8143.5125.1-75.10000112.7
509I35.4Very low31.7Very low154 Ų154133.2 Ų133.279%0.7978%0.775SS**  trans-104.5144.1174.2-58.2163.6000110.3
510P40.5Very low31.8Very low106 Ų106133.8 Ų133.869%0.68877%0.768SS**  trans-131.4154.4147.636.6-24.5000112.2
511L28.3Very low31.5Very low164 Ų164132.7 Ų132.786%0.85977%0.766SS**  cis-164.4161.7-11.4-122.1166.9000108.3
512A34.6Very low31.4Very low85 Ų85126.5 Ų126.570%0.70276%0.759SS**  trans-130.6140.7173.100000111.8
513P45.7Very low31.5Very low115 Ų115129.9 Ų129.975%0.74777%0.77SS**  trans-90.7136.8169.2-9.429.6000112.8
514V32Very low31.6Very low129 Ų129127.5 Ų127.578%0.78277%0.767SS**  74.4125.592.1169.40000112.6
515L30.3Very low31.6Very low164 Ų164131.5 Ų131.586%0.85977%0.773SS**  cis-151.9146.85.6-108.3161.1000108.1
516G25.3Very low31.7Very low78 Ų78134.8 Ų134.880%0.80478%0.782SS**  85.7137.785.900000113.9
517G29.4Very low31.7Very low72 Ų72129.3 Ų129.374%0.74278%0.777SS**  cis168.4169.9-6.600000113.4
518K34.1Very low31.7Very low168 Ų168133.8 Ų133.873%0.7379%0.787SS**  trans75.2119.5172.6-68.7-172.1160-730118.2
519E33.2Very low32.6Very low152 Ų152133.8 Ų133.871%0.7179%0.789SS**  84.2142.790.7-69.5159.3-164.900113
520E32Very low32.1Very low152 Ų152129.7 Ų129.771%0.7178%0.784SS**  cis-149.3169.634.9-87.8-160.48500115.4
521Q30.7Very low32.3Very low171 Ų171130 Ų13080%0.79979%0.786SS**  trans60.5140.7153-68.9162.938.500120.8
522G28Very low32.4Very low69 Ų69130.9 Ų130.971%0.71178%0.783SS**  cis175.6171-6.700000114.9
523N32.3Very low32.3Very low161 Ų161136.2 Ų136.286%0.86179%0.791SS**  trans74.487.5163.7-60.6-12.2000122.5
524S33.3Very low31.5Very low109 Ų109139 Ų13976%0.76279%0.791SS**  53.9131.9118.1-51.50000126.3
525E27.6Very low31.1Very low192 Ų192141.3 Ų141.390%0.89779%0.791SS**  trans103.1163.4133.6-103.7177.2141.400123.2
526L32.3Very low31Very low174 Ų174141.9 Ų141.991%0.91179%0.786SS**  trans-126.9157.4-149.1-67.9137.6000113.5
527G27Very low31.3Very low78 Ų78142 Ų14280%0.80478%0.78SS**  trans151.3125151.600000119.4
528H30.2Very low31.4Very low191 Ų191144.6 Ų144.688%0.88478%0.784SS**  trans-78-170.4166.9-52.4-84.2000112.7
529P41.9Very low31.1Very low126 Ų126145.4 Ų145.482%0.81879%0.79SS**  cis-133.3-168-14.325.20.9000114.6
530G26.2Very low31.1Very low67 Ų67143.3 Ų143.369%0.69179%0.792SS**  trans-81-155.8170.600000115.2
531P44.5Very low31Very low112 Ų112145.3 Ų145.373%0.72780%0.799SS**  cis-156.4-171.623.147.4-26.1000120.2
532K30.4Very low31Very low183 Ų183141.3 Ų141.380%0.79680%0.795SS**  trans83136.3148.9-75.4167.4-172.81660124.5
533K31.7Very low31.3Very low197 Ų197143.8 Ų143.886%0.85780%0.801SS**  trans74.3156154.1-73.9177.2-179.1178.30119
534K29.8Very low31Very low173 Ų173141 Ų14175%0.75280%0.801SS**  cis-175.2158.7-31.1-121.2-170.8-179.5-170.50110.2
535F23.5Very low30.7Very low178 Ų178142 Ų14278%0.78180%0.803SS**  trans68.4159.8163.8-90.6-134.1000117.3
536K27.1Very low30.7Very low176 Ų176140 Ų14077%0.76580%0.803SS**  cis-161.4169.7-26.8-150.1-157.5178.8-159.30108.7
537A31.3Very low30.8Very low82 Ų82139 Ų13968%0.67880%0.798SS**  trans-84.8161.3177.800000114.9
538P32.2Very low31.7Very low126 Ų126141.1 Ų141.182%0.81880%0.798SS**  trans-92.3155.217236.2-33.3000114.2
539E27.7Very low31.6Very low185 Ų185139.8 Ų139.886%0.86479%0.792SS**  trans-114.5179.5176.2-68.9-178.4139.400112.1
540S32.4Very low31.2Very low107 Ų107141.1 Ų141.175%0.74879%0.785SS**  trans-100.6160-175.657.80000115.5
541K31.1Very low31.3Very low194 Ų194147.4 Ų147.484%0.84380%0.796SS**  trans-173.7134.9155.2-95.6139.9-173.2169.90107.6
542A31.2Very low30.6Very low87 Ų87149 Ų14972%0.71979%0.794SS**  cis75.9135.248.700000113.6
543S33.2Very low30.4Very low121 Ų121148.5 Ų148.585%0.84680%0.798SS**  cis-167.8155.9-12.5-80.70000110
544A25.7Very low30.3Very low103 Ų103147.8 Ų147.885%0.85180%0.795SS**  trans-158.1164.8166.100000112.4
545T28.2Very low30.3Very low131 Ų131147.4 Ų147.480%0.80480%0.799SS**  trans-146.5137-158.4-53.50000114.5
546T26.6Very low30.5Very low149 Ų149144.3 Ų144.391%0.91480%0.795SS**  trans-169.7167.1140.4170000115.2
547L35Very low30.7Very low154 Ų154141 Ų14181%0.80679%0.794SS**  trans-90.7171.5-176-90.9162.2000113
548P45.3Very low30.5Very low121 Ų121147 Ų14779%0.78680%0.804SS**  cis-119.6164.143.217.57000114.5
549E28.2Very low30.2Very low163 Ų163146.8 Ų146.876%0.76281%0.805SS**  cis99.787.137.8-163.1169.8-167.200116
550K34.2Very low30.5Very low155 Ų155144 Ų14467%0.67480%0.803SS**  trans45.1119130-155.1-171.6-175.5-150.60121.4E552K550-E552 VanDerWaalsContact CE-OE1 3.25Å; K550-E552 WeakPolarHBondContact CE-OE1 3.38Å; K550-E552 IonicContact NZ-OE1 2.78Å; K550-E552 PolarHBondContact NZ-OE1 2.77Å
551Q28Very low30.4Very low198 Ų198145.2 Ų145.293%0.92581%0.806SS**  -149.5172.3128.9-121.8179.829.700112.6
552E29.8Very low30.8Very low146 Ų146141.4 Ų141.468%0.68280%0.801SS**  trans-116.6143.4-158-57.7169.117200112.4K550K550-E552 VanDerWaalsContact CE-OE1 3.25Å; K550-E552 WeakPolarHBondContact CE-OE1 3.38Å; K550-E552 IonicContact NZ-OE1 2.78Å; K550-E552 PolarHBondContact NZ-OE1 2.77Å
553I27.3Very low31.3Very low173 Ų173143.4 Ų143.489%0.88781%0.807SS**  trans-131.8141.5152.3-63.8-174000109.6
554K29Very low31.2Very low181 Ų181142.5 Ų142.579%0.78781%0.806SS**  trans-110.6128.1-167.3171.5-174.6-177.9178.70109.5V556K554-V556 HydrophobicContact CG-CG2 4.28Å
555I30.1Very low31.5Very low165 Ų165141.1 Ų141.185%0.84680%0.802SS**  trans-111.5131172.6-59.5-178.7000109
556V26.2Very low31.7Very low114 Ų114144.5 Ų144.569%0.69181%0.809SS**  trans-126.1147.4179.4167.80000108.9K554K554-V556 HydrophobicContact CG-CG2 4.28Å
557S31.6Very low31.7Very low105 Ų105141.1 Ų141.173%0.73480%0.803SS**  trans-73.1155.3-175.248.30000114.7
558K26.7Very low31.3Very low208 Ų208140.5 Ų140.590%0.90481%0.806SS**  trans-166.7145.6145.6-111.5165.4-174.7179.90112.2
559C27.3Very low30.4Very low122 Ų122140.1 Ų140.182%0.82481%0.805SS**  trans-96.7156.3172.9-49.70000110.8
560P33.4Very low30.4Very low127 Ų127144.7 Ų144.783%0.82582%0.815SS**  trans-103.2146.8162.535.6-28000112.6
561T30.2Very low30.4Very low133 Ų133145.7 Ų145.782%0.81683%0.827SS**  trans-118142.6175.2-57.40000108.5
562P40.7Very low30.3Very low114 Ų114139.5 Ų139.574%0.7482%0.816SS**PPolyproline II helixtrans-77.8161-171.131-37.3000114.6
563P41.1Very low30.6Very low129 Ų129140.4 Ų140.484%0.83882%0.817SS**PPolyproline II helixtrans-78.9157173.334-35.6000112.6
564A31.6Very low30.7Very low101 Ų101139.8 Ų139.884%0.83581%0.811SS**PPolyproline II helixtrans-102.3155.6-179.100000113.4
565G30.7Very low30.7Very low74 Ų74134.5 Ų134.576%0.76381%0.808SS**  trans-138.5137.8167.300000110.4
566H32.1Very low31.3Very low203 Ų203133 Ų13394%0.9481%0.809SS**  trans-83.9144.5-175.3-81.5-114.4000112.9
567G26.3Very low31.3Very low78 Ų78130.7 Ų130.780%0.80481%0.808SS**  trans-16569.9-178.700000115.3
568V28.2Very low32Very low141 Ų141131.3 Ų131.386%0.85581%0.81SS**  trans5.9128.9165.7-173.30000120.5
569C26.7Very low32Very low113 Ų113130.3 Ų130.376%0.76481%0.808SS**  trans-29.3149.1167.2-41.90000119.9
570R27.7Very low32.1Very low259 Ų259132.5 Ų132.598%0.97781%0.806SS**  -165178103.2-106.7-179-172-126.90.5114.6
571L33.2Very low32.5Very low176 Ų176131.7 Ų131.792%0.92180%0.801SS**  trans-118.7143.7-162.217371.3000112.4
572G27.2Very low32.3Very low68 Ų68132.1 Ų132.170%0.70180%0.797SS**  trans109.1167.8163.600000115.4
573K35.1Very low31.7Very low164 Ų164132 Ų13271%0.71380%0.795SS**  cis-171.5136.3-22.5-154.6-180173.6-84.60107.5
574E29Very low31.1Very low160 Ų160134.3 Ų134.375%0.74880%0.795SS**  trans59.8163.2169-73.6135.7169.300119.5
575G30.2Very low30.9Very low70 Ų70138.3 Ų138.372%0.72280%0.796SS**  trans-93.8-163.6173.500000112.6
576P41.4Very low30.8Very low134 Ų134139.7 Ų139.787%0.8780%0.8SS**  cis-132.5-167.832.940.4-22.4000115
577G25.9Very low30.7Very low65 Ų65134.3 Ų134.367%0.6779%0.791SS**  trans-84.5-155.4167.800000113.1
578P46.3Very low30.8Very low119 Ų119138.9 Ų138.977%0.77380%0.795SS**  cis-126.1-170.25.443-28.3000113.5
579Q27.8Very low31Very low187 Ų187141.2 Ų141.287%0.87479%0.794SS**  trans154.7136.9140.8-82.1-73.8-1200110.9
580E30.3Very low31.9Very low168 Ų168141.1 Ų141.179%0.78579%0.792SS**  trans-111.8161.9165.3-146.7-170152.400107
581P39.9Very low32.2Very low110 Ų110136.8 Ų136.871%0.71479%0.788SS**  -161.4170.189.341.8-21.5000119
582L27.2Very low32.5Very low141 Ų141136.8 Ų136.874%0.73878%0.783SS**  trans81.6104.9141.3-108.274000123
583T27.1Very low32.7Very low113 Ų113141.3 Ų141.369%0.69379%0.791SS**  47.1125.1124.561.90000123.5
584Q28.5Very low32.8Very low177 Ų177141.2 Ų141.283%0.82780%0.798SS**  -172.1124.5107.2-97.3174.3-17.500107.1
585E28.5Very low32.8Very low184 Ų184137.5 Ų137.586%0.8680%0.803SS**  78.2105.253.8-167.2-179-153.900114.5
586A27.9Very low33Very low104 Ų104140 Ų14086%0.8681%0.809SS**  trans-165129.1153.700000109.9
587A29.4Very low32.8Very low89 Ų89138.8 Ų138.874%0.73680%0.804SS**  trans-143.8140.8174.600000110.9
588I29.2Very low33.1Very low175 Ų175142.3 Ų142.390%0.89781%0.807SS**  trans-137.8148.4169.1-62.7-174.5000108.5
589F32.2Very low32.6Very low189 Ų189144.9 Ų144.983%0.82981%0.814SS**  trans-95.6172.9-161.3-90.9-98.9000114.4
590P44.8Very low32.8Very low112 Ų112142.1 Ų142.173%0.72781%0.805SS**  trans-90.9-171.7-164.838.9-37.8000114.1
591L34.3Very low32.8Very low168 Ų168142.3 Ų142.388%0.8881%0.81SS**  trans-127.7131.4171.9179.264.5000110
592E40.3Very low32.5Very low176 Ų176144.4 Ų144.482%0.82281%0.811SS**  trans-104.7150.9168-46.6-124.9127.200108.8
593D31.6Very low32.7Very low162 Ų162143 Ų14387%0.86680%0.801SS**  trans-163.6161.3139.6-151.8-0000111.5
594D37.4Very low32.9Very low162 Ų162145.7 Ų145.787%0.86681%0.809SS**  trans-78.9165.8-174.4-84.6-50.8000115.2
595G29.5Very low33Very low82 Ų82145.7 Ų145.785%0.84581%0.812SS**  trans-172.895.1170.400000114.9
596S34.4Very low33.4Very low123 Ų123144.4 Ų144.486%0.8681%0.806SS**  trans-109131.3-177.1-176.20000114.1
597S36.5Very low33.4Very low108 Ų108147 Ų14776%0.75581%0.805SS**  trans-171.7118.4153.756.60000106.9
598D31.6Very low33.7Very low139 Ų139151 Ų15174%0.74381%0.813SS**  cis65.39946.6-161.924.5000113.6
599L35.5Very low33.6Very low173 Ų173145.9 Ų145.991%0.90680%0.802SS**  trans-151101.6159.6-85.8-171.7000109.3
600D32.3Very low33.4Very low129 Ų129145.9 Ų145.969%0.6981%0.805SS**  trans-68.3150.5161.7-179.121000111.2E602D600-E602 PolarHBondContact OD1-N 3.41Å
601L30.4Very low32.6Very low172 Ų172147.1 Ų147.190%0.90181%0.811SS**  trans-155.961.2168.1-162.272.7000111.7
602E33.4Very low32.3Very low155 Ų155147.5 Ų147.572%0.72481%0.808SS**  trans-65.6160.7166.2-152.2-179.4-138.400112.5D600D600-E602 PolarHBondContact OD1-N 3.41Å
603Q31.4Very low31.8Very low112 Ų112148.5 Ų148.552%0.52381%0.812SS.*  trans63.288.7152.5-144.569.3-1000120.1E606Q603-E606 PolarHBondContact NE2-OE2 2.88Å; Q603-E606 VanDerWaalsContact NE2-OE2 3.16Å
604L31.3Very low31.7Very low168 Ų168151.6 Ų151.688%0.8881%0.812SS**  trans-152.496.3138.2-149.689.1000114.2
605M31.5Very low31.2Very low178 Ų178147.3 Ų147.388%0.87781%0.806SS**  trans16089.2137.2-89.3-175.265.400110.6
606E35.9Very low31.1Very low157 Ų157152.6 Ų152.673%0.73481%0.809SS**  trans-90.3170.2161-70.5177.2116.200110.7Q603Q603-E606 PolarHBondContact NE2-OE2 2.88Å; Q603-E606 VanDerWaalsContact NE2-OE2 3.16Å
607D29.5Very low30.7Very low157 Ų157152 Ų15284%0.8480%0.804SS**  trans58.1112.9174.6-77.8-7.3000119.6
608I33.8Very low30.4Very low175 Ų175156.4 Ų156.490%0.89781%0.813SS**  -150.7125.7110.6-94.5149.9000109.3
609G27.6Very low30.2Very low66 Ų66158 Ų15868%0.6882%0.816SS**  trans8389.6144.400000118.5
610E28.8Very low30Very low190 Ų190161.5 Ų161.589%0.88882%0.817SS**  trans-62.1154.4149-66.3-170.4129.400110.9
611T27.1Very low29.8Very low138 Ų138162.7 Ų162.785%0.84782%0.823SS**  trans-149.5111156-65.20000108.7
612E29.6Very low29.7Very low176 Ų176158.1 Ų158.182%0.82282%0.818SS**  trans-67.1142.6164.5-65.4-168.2114.100110.1
613E29.5Very low29.6Very low196 Ų196156 Ų15692%0.91682%0.82SS**  trans-134.7125.4147.1-162.2172.4-134.900111
614R29.1Very low29.7Very low227 Ų227160 Ų16086%0.85784%0.839SS**  trans-114.176.7-170.1-174.2-176.5-176.7-82.51.5109.5
615G26.3Very low29.8Very low72 Ų72155.4 Ų155.474%0.74283%0.832SS**PPolyproline II helixtrans-99132.6-175.100000114.3
616E26.9Very low29.7Very low194 Ų194156.9 Ų156.991%0.90783%0.834SS**PPolyproline II helixtrans-68158.4-166.8-67.7174.4103.100117.3
617S27Very low29.9Very low109 Ų109158 Ų15876%0.76284%0.844SS**PPolyproline II helixtrans-61.5144.4166.652.40000114
618Q29.1Very low30Very low202 Ų202154.9 Ų154.994%0.94484%0.841SS**  trans-126.5140.8142.4-83-164.62.300111.7
619Q29.1Very low30.2Very low171 Ų171150.8 Ų150.880%0.79983%0.833SS**  trans-109.2138.7-171.4173.5-177.6-16.400109.4
620R29.8Very low30.6Very low248 Ų248155.9 Ų155.994%0.93684%0.843SS**  trans-150.3134.8163.4-125.1177.6-168.2-93.1-1.7111.3
621D29.3Very low31.1Very low153 Ų153155.6 Ų155.682%0.81884%0.84SS**  trans-70.2155.6-175.3-64.8-77.8000114.2
622G28.5Very low31.7Very low76 Ų76158.1 Ų158.178%0.78484%0.842SS**  trans-171.274.7177.900000111
623S31.4Very low32.1Very low110 Ų110162.5 Ų162.577%0.76986%0.862SS**  trans-62.4158.1166.958.10000110.5
624E32.3Very low32.2Very low197 Ų197160.9 Ų160.992%0.92186%0.86SS**  cis-139.517615.5-60167129.400108
625G32.8Very low32.4Very low72 Ų72157.4 Ų157.474%0.74286%0.86SS**  cis179.5151.2-0.100000109.2
626F31.4Very low32.7Very low209 Ų209162.1 Ų162.192%0.91787%0.866SS**  trans-79.3138-179.3-95.8-109.1000112.4
627L38.3Very low33.1Very low179 Ų179160.2 Ų160.294%0.93786%0.864SS**  trans-134148.6143.4-88.1-179.6000110.1
628A32.8Very low33.5Very low93 Ų93163.4 Ų163.477%0.76987%0.87SS**  trans-110.5174.4-165.800000113
629A36.8Very low33.8Very low89 Ų89160.9 Ų160.974%0.73687%0.866SS**  trans-51.8153-177.200000115.5
630L37.6Very low34.1Very low172 Ų172160.1 Ų160.190%0.90187%0.87SS**  trans-121.1144.9151.4-97.8160.8000108.6
631F39.1Very low34.4Very low184 Ų184153.4 Ų153.481%0.80787%0.865SS**  trans-119.5162.5174.4-108.6-93.4000107.2
632E38.9Very low34.9Very low192 Ų192153.4 Ų153.490%0.89787%0.869SS**  trans68145-179-54.4170.2149.600112.1
633E38.4Very low35.4Very low268 Ų268160.5 Ų160.5100%1.25288%0.877SS**  cis-113.6012.9-167.6171.7154.500112.1

Retrieved 633 of 633 residues in 171.7 ms (Link to these results)