A0A087XUJ0_POEFO Loading...

Regulator of chromosome condensation 1

AlphaFold DB , UniProt , Accession A0A087XUJ0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 420 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
1M47.3Very low34.8Very low244 Ų244181.9 Ų181.9100%1.20291%0.914SS**  0116.20-64.1-169.2-173.400107.2
2P38.6Very low34.4Very low122 Ų122178.8 Ų178.879%0.79291%0.911SS**  -150.7162.490.834.2-14000115.3
3A31.3Very low34.4Very low105 Ų105173.2 Ų173.287%0.86891%0.908SS**  trans-83.9136.5165.800000110.5
4K35.4Very low34.2Very low199 Ų199167.9 Ų167.987%0.86590%0.902SS**  trans-108.5126171.7-91.1-177.7176177.60110.5
5K34.8Very low34.2Very low209 Ų209164.9 Ų164.991%0.90990%0.899SS**  trans-66.8142.6164.2-75.7174.8172.8176.30110
6T32.6Very low34Very low140 Ų140159.2 Ų159.286%0.85989%0.891SS**  trans-141.4121.2158.217.60000110
7T32.2Very low33.9Very low146 Ų146160.8 Ų160.890%0.89689%0.889SS**PPolyproline II helixtrans-76132.8173.732.70000110.1
8N32.5Very low33.8Very low171 Ų171160.7 Ų160.791%0.91489%0.887SS**PPolyproline II helixtrans-102.3134.4-177-128-5.3000111.8
9K32.6Very low33.9Very low202 Ų202158.8 Ų158.888%0.87888%0.88SS**PPolyproline II helixtrans-74.5145.4-177.3-86.6174.9170.8176.40112.4
10R32.5Very low34.1Very low253 Ų253160.3 Ų160.396%0.95588%0.881SS**  trans-44.4135.4163.4-98.5173.5166.7169.8-4.6112.5
11K32.7Very low34.2Very low210 Ų210161.1 Ų161.191%0.91388%0.878SS**  trans-124.8135.6154.7-94.8-174.7175.8-177.50109.8
12T30.5Very low34.1Very low144 Ų144153.5 Ų153.588%0.88385%0.854SS**  trans-72.8160.8-176.9290000113.5
13A34.5Very low34.3Very low106 Ų106157.2 Ų157.288%0.87686%0.858SS**  trans-52.4144.1-175.700000115.8
14A30.7Very low35.2Very low99 Ų99161.9 Ų161.982%0.81886%0.859SS**  trans-130.2130.3152.200000107.5
15S35.1Very low36.4Very low123 Ų123159.8 Ų159.886%0.8686%0.855SS**  trans-55.6126.6178.546.20000112.8
16G30.3Very low38.2Very low74 Ų74156.4 Ų156.476%0.76384%0.841SS**  trans-120.481.116600000109.4D18G16-D18 VanDerWaalsContact C-N 3.26Å; G16-D18 PolarHBondContact O-N 3.38Å
17E33.3Very low40.4Very low186 Ų186152.9 Ų152.987%0.86982%0.819SS**  trans-85.877.4155.5-75.9-174161.900107.3
18D31.3Very low43.2Very low159 Ų159150.4 Ų150.485%0.8580%0.803SS**  trans-11883.5158.3-86.8-39.1000105.9G16 E20G16-D18 VanDerWaalsContact C-N 3.26Å; G16-D18 PolarHBondContact O-N 3.38Å; D18-E20 PolarHBondContact O-N 3.2Å
19V36.9Very low46.1Very low125 Ų125142.6 Ų142.676%0.75876%0.761SS**  trans-66103.8168.4176.30000106.5Q21V19-Q21 PolarHBondContact O-N 3.34Å
20E36.8Very low49.1Very low189 Ų189136.8 Ų136.888%0.88375%0.747SS**  trans-5788.9164.2-126.7-179.7175.500108.3D18 A22D18-E20 PolarHBondContact O-N 3.2Å; E20-A22 PolarHBondContact O-N 2.82Å
21Q36.1Very low52.2Low177 Ų177126.1 Ų126.183%0.82771%0.707SS**  trans-68.382.7162-89.6-177-5.900107.2V19 K23V19-Q21 PolarHBondContact O-N 3.34Å; Q21-K23 PolarHBondContact O-N 2.77Å
22A44.5Very low55.2Low85 Ų85124 Ų12470%0.70269%0.693SS**  trans-53107.5159.700000107.4E20 K24E20-A22 PolarHBondContact O-N 2.82Å; A22-K24 VanDerWaalsContact C-N 3.32Å; A22-K24 PolarHBondContact O-N 2.79Å
23K44.5Very low58.3Low199 Ų199118.4 Ų118.487%0.86566%0.661SS**  trans-5498.7168-77.7177.8175.6176.60107.1Q21 I25Q21-K23 PolarHBondContact O-N 2.77Å; K23-I25 PolarHBondContact O-N 2.9Å
24K50.1Low61.3Low204 Ų204114.4 Ų114.489%0.88762%0.624SS**  trans-56.9109.8169.2-81.5-178.6175.6178.70106.4A22 K26A22-K24 VanDerWaalsContact C-N 3.32Å; A22-K24 PolarHBondContact O-N 2.79Å; K24-K26 PolarHBondContact O-N 3.1Å
25I60.7Low64.2Low155 Ų155112.3 Ų112.380%0.79560%0.603SS**  trans-57.8113.2171-63.9172.7000105.5K23 V27K23-I25 PolarHBondContact O-N 2.9Å; I25-V27 PolarHBondContact O-N 3.27Å
26K71.3Confident66.8Low138 Ų138114.4 Ų114.460%0.660%0.596SS**  trans-66.4106.6176.5-169.5178.2175.8-1700106.5K24 V28 E140K24-K26 PolarHBondContact O-N 3.1Å; K26-V28 PolarHBondContact O-N 2.93Å; K26-E140 IonicContact NZ-OE1 3.72Å; K26-E140 PolarHBondContact NZ-OE1 2.95Å
27V78.8Confident70Confident66 Ų66115.6 Ų115.640%0.458%0.582SS.*  trans-66.4119.7174177.80000106.5I25 V29 D141I25-V27 PolarHBondContact O-N 3.27Å; V27-V29 HydrophobicContact CG1-CG1 4.28Å; V27-D141 WeakPolarHBondContact O-CA 3.5Å
28V90.6Very high73.1Confident93 Ų93108.8 Ų108.856%0.56455%0.553SS**  trans-104.2116.2170179.10000106.9K26 E140K26-V28 PolarHBondContact O-N 2.93Å; V28-E140 CarbonylContact C-O 3.59Å; V28-E140 VanDerWaalsContact CA-O 3.28Å; V28-E140 WeakPolarHBondContact CA-O 3.45Å
29V94.4Very high76.2Confident7 Ų7101.4 Ų101.44%0.04251%0.514CS..  trans-80.1142179.6-61.10000110.2V27 E140 P177 V178 V179V27-V29 HydrophobicContact CG1-CG1 4.28Å; V29-E140 WeakPolarHBondContact CG2-O 3.42Å; V29-E140 PolarHBondContact N-O 3.28Å; V29-P177 HydrophobicContact CG1-CB 4.05Å; V29-V178 WeakPolarHBondContact CG1-O 3.37Å; V29-V179 HydrophobicContact CB-CG1 4.21Å; V29-V179 HydrophobicContact CG1-CG1 4.28Å
30S94.7Very high79.1Confident81 Ų8198.5 Ų98.557%0.56649%0.492SS*.  trans-143.8137.7174.2-179.90000108.6
31H97.6Very high82.1Confident29 Ų2989.5 Ų89.513%0.13445%0.451CS..  trans-138.4154.9175.1-170.9-106.5000109.9S33 H34 V179 T242 D243H31-S33 WeakPolarHBondContact ND1-CB 3.47Å; H31-S33 PolarHBondContact ND1-N 2.51Å; H31-S33 PolarHBondContact ND1-OG 3.07Å; H31-S33 PolarHBondContact O-N 2.95Å; H31-S33 VanDerWaalsContact O-N 3.12Å; H31-H34 PolarHBondContact N-CE1 2.84Å; H31-H34 VanDerWaalsContact N-CE1 3.32Å; H31-H34 PolarHBondContact N-ND1 3.3Å; H31-H34 VanDerWaalsContact N-ND1 3.11Å; H31-H34 WeakPolarHBondContact O-CB 3.48Å; H31-H34 PolarHBondContact O-N 3.47Å; H31-V179 HydrophobicContact CB-CB 4.35Å; H31-V179 VanDerWaalsContact CB-O 3.3Å; H31-V179 WeakPolarHBondContact CB-O 3.21Å; H31-T242 PolarHBondContact NE2-O 3.21Å; H31-D243 IonicContact CE1-OD1 3.56Å
32R95.7Very high85.1Confident164 Ų16481.1 Ų81.162%0.61941%0.411SS*.THydrogen-bonded Turntrans-60.9-21.1178.963.9172.1177.7-127.78113.6H34 D243R32-H34 VanDerWaalsContact C-N 3.3Å; R32-D243 IonicContact CZ-OD2 2.74Å; R32-D243 IonicContact NE-OD2 3.76Å; R32-D243 PolarHBondContact NE-OD2 3.36Å; R32-D243 IonicContact NH2-OD2 3.88Å; R32-D243 PolarHBondContact NH2-OD2 3.2Å
33S95.8Very high87.7Confident28 Ų2877 Ų7720%0.19638%0.378CS..THydrogen-bonded Turntrans-82.7-317868.90000113.8H31 C35H31-S33 WeakPolarHBondContact ND1-CB 3.47Å; H31-S33 PolarHBondContact ND1-N 2.51Å; H31-S33 PolarHBondContact ND1-OG 3.07Å; H31-S33 PolarHBondContact O-N 2.95Å; H31-S33 VanDerWaalsContact O-N 3.12Å; S33-C35 PolarHBondContact O-N 3.02Å
34H97.2Very high90.3Very high21 Ų2167.6 Ų67.610%0.09734%0.336CS..SBendtrans-80.6106.7175.5-59.3164.6000108.8H31 R32 V179H31-H34 PolarHBondContact N-CE1 2.84Å; H31-H34 VanDerWaalsContact N-CE1 3.32Å; H31-H34 PolarHBondContact N-ND1 3.3Å; H31-H34 VanDerWaalsContact N-ND1 3.11Å; H31-H34 WeakPolarHBondContact O-CB 3.48Å; H31-H34 PolarHBondContact O-N 3.47Å; R32-H34 VanDerWaalsContact C-N 3.3Å; H34-V179 PolarHBondContact CE1-O 3.38Å; H34-V179 PolarHBondContact NE2-O 2.84Å
35C91.7Very high92.6Very high56 Ų5657.9 Ų57.938%0.37829%0.294SS..  trans-66.1136.5178.8-62.20000110.8S33 V74S33-C35 PolarHBondContact O-N 3.02Å; C35-V74 WeakPolarHBondContact CB-O 3.5Å
36K91.6Very high94.4Very high166 Ų16651.9 Ų51.972%0.72226%0.263SS*.  trans-119.9-16-179.4-61.6-178.1-177.4178.30113.2
37E96.4Very high95.6Very high99 Ų9945.5 Ų45.546%0.46324%0.236SC..  trans-77.6132.7179.8-63.8-165.2125.700109.8V74 L401E37-V74 WeakPolarHBondContact O-CA 3.37Å; E37-L401 HydrophobicContact CB-CD1 3.8Å; E37-L401 WeakPolarHBondContact OE2-CD2 3.19Å
38V97.4Very high96.5Very high44 Ų4447 Ų4727%0.26724%0.242SC..  trans-97.2132.2-174.1179.70000109.2K72 M73 V74 E88V38-K72 HydrophobicContact CG1-CB 3.16Å; V38-K72 HydrophobicContact CG1-CD 3.59Å; V38-K72 HydrophobicContact CG1-CG 4.02Å; V38-M73 CarbonylContact C-O 3.58Å; V38-M73 WeakPolarHBondContact CA-O 3.08Å; V38-V74 HydrophobicContact CG2-CG1 3.82Å; V38-E88 HydrophobicContact CG1-CB 4.39Å; V38-E88 HydrophobicContact CG2-CB 3.9Å
39G97.6Very high96.9Very high3 Ų345.2 Ų45.23%0.03123%0.231CC..BIsolated β-bridgetrans-148.1-176.6-17600000114.3M73 V414G39-M73 PolarHBondContact N-O 2.84Å; G39-M73 PolarHBondContact O-N 2.8Å; G39-V414 CarbonylContact C-O 3.42Å; G39-V414 WeakPolarHBondContact CA-O 3.28Å
40Q98.4Very high97.1Very high64 Ų6445.3 Ų45.330%0.29923%0.233SC..EExtended strand (participates in β ladder)trans-106.1153.7173.5-60.6-178.5-88.500109.9L66 L413 V414Q40-L66 HydrophobicContact CB-CD1 3.94Å; Q40-L413 WeakPolarHBondContact O-CA 3.11Å; Q40-V414 HydrophobicContact CB-CG2 4.33Å; Q40-V414 PolarHBondContact N-O 2.88Å; Q40-V414 PolarHBondContact O-N 3.28Å
41V98.8Very high97.2Very high1 Ų141.4 Ų41.41%0.00621%0.206CC..EExtended strand (participates in β ladder)trans-98.1131.6-178.5179.50000110.1V43 L67 L69 M73 V76 L412 L413V41-V43 HydrophobicContact CG1-CG1 4.26Å; V41-L67 HydrophobicContact CB-CB 4.24Å; V41-L67 HydrophobicContact CB-CD2 4.23Å; V41-L67 HydrophobicContact CG1-CB 4.28Å; V41-L67 HydrophobicContact CG1-CD2 3.91Å; V41-L67 WeakPolarHBondContact O-CB 3.38Å; V41-L67 PolarHBondContact O-N 3.06Å; V41-L69 HydrophobicContact CB-CD1 3.95Å; V41-L69 HydrophobicContact CG2-CD1 3.65Å; V41-M73 HydrophobicContact CG2-CB 3.98Å; V41-M73 HydrophobicContact CG2-CG 3.69Å; V41-V76 HydrophobicContact CG1-CG2 4.04Å; V41-V76 HydrophobicContact CG2-CB 4.4Å; V41-V76 HydrophobicContact CG2-CG2 4.48Å; V41-L412 CarbonylContact C-O 3.51Å; V41-L412 WeakPolarHBondContact CA-O 3.18Å; V41-L413 HydrophobicContact CG2-CD1 4.26Å
42L98.9Very high97.3Very high0 Ų040.1 Ų40.10%020%0.2CC..EExtended strand (participates in β ladder)trans-110.2148.9165.7-47.1-180000109.6P64 A65 L66 Q394 L395 A411 L412 V414L42-P64 HydrophobicContact CB-CB 4Å; L42-P64 HydrophobicContact CD1-CB 3.79Å; L42-A65 CarbonylContact C-O 3.26Å; L42-A65 WeakPolarHBondContact CA-O 3.35Å; L42-L66 HydrophobicContact CD2-CB 4.07Å; L42-L66 HydrophobicContact CD2-CD1 3.81Å; L42-Q394 HydrophobicContact CD1-CB 3.86Å; L42-Q394 HydrophobicContact CD2-CB 3.93Å; L42-Q394 HydrophobicContact CD2-CG 4.44Å; L42-L395 HydrophobicContact CD1-CD2 3.68Å; L42-L395 HydrophobicContact CD1-CG 4.34Å; L42-A411 CarbonylContact O-C 3.54Å; L42-A411 VanDerWaalsContact O-CA 3.29Å; L42-A411 WeakPolarHBondContact O-CA 3.35Å; L42-L412 HydrophobicContact CB-CB 4.23Å; L42-L412 PolarHBondContact N-O 3.05Å; L42-L412 PolarHBondContact O-N 2.92Å; L42-V414 HydrophobicContact CD1-CB 4.48Å; L42-V414 HydrophobicContact CD1-CG1 3.7Å; L42-V414 HydrophobicContact CD1-CG2 3.97Å; L42-V414 HydrophobicContact CD2-CG2 4.13Å; L42-V414 HydrophobicContact CG-CG1 4.05Å; L42-V414 HydrophobicContact CG-CG2 3.8Å
43V98.9Very high97.4Very high0 Ų032.5 Ų32.50%017%0.173CC..EExtended strand (participates in β ladder)trans-131.1149.3177.2-66.10000110.9V41 L52 L54 A65 L67 T410 A411V41-V43 HydrophobicContact CG1-CG1 4.26Å; V43-L52 HydrophobicContact CB-CD2 4.01Å; V43-L52 HydrophobicContact CG2-CB 4.19Å; V43-L52 HydrophobicContact CG2-CD2 4.28Å; V43-L52 WeakPolarHBondContact CG2-O 3.49Å; V43-L54 HydrophobicContact CG2-CD1 3.81Å; V43-L54 HydrophobicContact CG2-CD2 4.22Å; V43-L54 HydrophobicContact CG2-CG 3.97Å; V43-A65 PolarHBondContact N-O 2.95Å; V43-A65 PolarHBondContact O-N 3.04Å; V43-L67 HydrophobicContact CG1-CD2 4.42Å; V43-T410 CarbonylContact C-O 3.55Å; V43-T410 WeakPolarHBondContact CA-O 3.34Å; V43-A411 HydrophobicContact CG1-CB 4.45Å
44L98.9Very high97.6Very high0 Ų033.3 Ų33.30%018%0.175CC..EExtended strand (participates in β ladder)trans-153.6167.9172.367.4153000111.7P64 Q375 G377 M390 H409 T410 L412L44-P64 HydrophobicContact CD2-CG 4.19Å; L44-Q375 WeakPolarHBondContact CD1-O 3.37Å; L44-G377 VanDerWaalsContact CD1-CA 3.45Å; L44-M390 HydrophobicContact CD1-CE 3.72Å; L44-M390 HydrophobicContact CD2-CE 4.06Å; L44-H409 CarbonylContact O-C 3.1Å; L44-H409 WeakPolarHBondContact O-CA 3.2Å; L44-T410 HydrophobicContact CD2-CG2 4.12Å; L44-T410 PolarHBondContact N-O 2.8Å; L44-T410 PolarHBondContact O-N 2.92Å; L44-L412 HydrophobicContact CD2-CD1 4.41Å; L44-L412 HydrophobicContact CD2-CG 4.44Å
45G98.6Very high97.6Very high0 Ų033.2 Ų33.20%018%0.18CC..EExtended strand (participates in β ladder)trans101.9-152.1-178.400000112.9E60 R61 N373G45-E60 WeakPolarHBondContact O-CA 3.48Å; G45-R61 PolarHBondContact N-O 3.47Å; G45-R61 PolarHBondContact O-N 3.02Å; G45-N373 WeakPolarHBondContact CA-O 3.44Å
46Q98.6Very high97.7Very high29 Ų2935.4 Ų35.414%0.13619%0.185CC..EExtended strand (participates in β ladder)trans-80150176.4-58.2-61.5-26.200111.6Q51 N373 Q408 H409Q46-Q51 WeakPolarHBondContact O-CG 3.45Å; Q46-Q51 PolarHBondContact O-NE2 3.34Å; Q46-Q51 VanDerWaalsContact O-NE2 3.13Å; Q46-N373 HydrophobicContact CG-CB 4.24Å; Q46-Q408 HydrophobicContact CB-CB 3.88Å; Q46-Q408 HydrophobicContact CG-CB 4.19Å; Q46-Q408 PolarHBondContact N-O 3.12Å; Q46-H409 WeakPolarHBondContact O-CB 3.45Å
47G97.9Very high97.9Very high4 Ų435.2 Ų35.24%0.04119%0.191CC..  trans-136.618.5-173.400000114.1V49 G50 T59G47-V49 PolarHBondContact O-N 3.45Å; G47-G50 PolarHBondContact O-N 2.87Å; G47-T59 WeakPolarHBondContact CA-O 3.42Å; G47-T59 PolarHBondContact N-O 3.4Å
48D97.8Very high98Very high98 Ų9831.5 Ų31.552%0.52418%0.175SC..THydrogen-bonded Turntrans-53.1-30.2-172-59.9-43.9000115.1
49V97.8Very high98Very high56 Ų5633 Ų3334%0.33919%0.185SC..THydrogen-bonded Turntrans-117.627.2-179.6-61.10000111.4G47 Q51 M81 G96 C97G47-V49 PolarHBondContact O-N 3.45Å; V49-Q51 VanDerWaalsContact C-N 3.33Å; V49-Q51 PolarHBondContact O-N 3.01Å; V49-M81 HydrophobicContact CG2-CB 4.05Å; V49-M81 HydrophobicContact CG2-CE 3.51Å; V49-G96 CarbonylContact O-C 3.25Å; V49-G96 VanDerWaalsContact O-CA 3.24Å; V49-G96 WeakPolarHBondContact O-CA 2.98Å; V49-C97 HydrophobicContact CB-CB 4.19Å; V49-C97 HydrophobicContact CG2-CB 3.86Å; V49-C97 PolarHBondContact O-N 2.81Å
50G98.1Very high98Very high8 Ų835.9 Ų35.98%0.08220%0.198CC..SBendtrans80717500000115.2G47 L52 G53G47-G50 PolarHBondContact O-N 2.87Å; G50-L52 PolarHBondContact O-N 2.77Å; G50-G53 PolarHBondContact O-N 2.77Å
51Q98.5Very high98Very high0 Ų037.4 Ų37.40%020%0.2CC..THydrogen-bonded Turntrans-66.4-8-175.269.1-87.433.100114.6Q46 V49 M81 T83 F95 H409Q46-Q51 WeakPolarHBondContact O-CG 3.45Å; Q46-Q51 PolarHBondContact O-NE2 3.34Å; Q46-Q51 VanDerWaalsContact O-NE2 3.13Å; V49-Q51 VanDerWaalsContact C-N 3.33Å; V49-Q51 PolarHBondContact O-N 3.01Å; Q51-M81 WeakPolarHBondContact CB-O 3.49Å; Q51-T83 PolarHBondContact O-OG1 3.39Å; Q51-F95 VanDerWaalsContact O-CE2 3.27Å; Q51-F95 WeakPolarHBondContact O-CE2 3.29Å; Q51-H409 HydrophobicContact CG-CB 3.85Å; Q51-H409 PolarHBondContact O-CD2 3.3Å
52L98.8Very high97.9Very high1 Ų141.6 Ų41.61%0.00522%0.216CC..THydrogen-bonded Turntrans-86-21.8169-61.6179.1000112.7V43 G50 L54 V58 R61 F95 H409V43-L52 HydrophobicContact CB-CD2 4.01Å; V43-L52 HydrophobicContact CG2-CB 4.19Å; V43-L52 HydrophobicContact CG2-CD2 4.28Å; V43-L52 WeakPolarHBondContact CG2-O 3.49Å; G50-L52 PolarHBondContact O-N 2.77Å; L52-L54 HydrophobicContact CB-CD1 4.29Å; L52-L54 HydrophobicContact CB-CG 4.18Å; L52-L54 PolarHBondContact O-N 2.91Å; L52-V58 HydrophobicContact CD1-CG1 4.3Å; L52-R61 HydrophobicContact CD1-CB 4.25Å; L52-R61 HydrophobicContact CD1-CG 4.07Å; L52-F95 VanDerWaalsContact C-CE2 3.43Å; L52-H409 HydrophobicContact CD2-CB 4.13Å
53G98.6Very high97.9Very high5 Ų546.6 Ų46.65%0.05224%0.238CC..  trans69.915.6-179.700000114.2G50 L67 A114 P116G50-G53 PolarHBondContact O-N 2.77Å; G53-L67 WeakPolarHBondContact O-CD1 3.35Å; G53-A114 CarbonylContact C-O 3.56Å; G53-A114 WeakPolarHBondContact CA-O 3.29Å; G53-P116 WeakPolarHBondContact O-CD 3.49Å
54L98.6Very high97.9Very high45 Ų4547 Ų4724%0.23624%0.241CC..SBendtrans-97.414.1-175.5-62178.2000113.1V43 L52 V58 R61 A65 L67 A114V43-L54 HydrophobicContact CG2-CD1 3.81Å; V43-L54 HydrophobicContact CG2-CD2 4.22Å; V43-L54 HydrophobicContact CG2-CG 3.97Å; L52-L54 HydrophobicContact CB-CD1 4.29Å; L52-L54 HydrophobicContact CB-CG 4.18Å; L52-L54 PolarHBondContact O-N 2.91Å; L54-V58 HydrophobicContact CB-CB 3.82Å; L54-V58 HydrophobicContact CB-CG1 3.76Å; L54-V58 HydrophobicContact CB-CG2 4.04Å; L54-V58 HydrophobicContact CD1-CG1 3.82Å; L54-V58 HydrophobicContact CG-CG1 4.43Å; L54-R61 HydrophobicContact CD1-CG 3.72Å; L54-A65 HydrophobicContact CD1-CB 3.9Å; L54-L67 HydrophobicContact CD2-CD1 3.94Å; L54-A114 PolarHBondContact N-O 3.3Å
55G97.2Very high97.9Very high19 Ų1947.8 Ų47.820%0.19625%0.247CC..  trans86.6161.5-172.300000113.1N57 V58 A114G55-N57 PolarHBondContact O-N 2.85Å; G55-V58 PolarHBondContact O-N 3.09Å; G55-V58 VanDerWaalsContact O-N 3.15Å; G55-A114 WeakPolarHBondContact CA-O 3.46Å; G55-A114 PolarHBondContact N-O 2.69Å
56E94.6Very high97.9Very high102 Ų10250.6 Ų50.648%0.47726%0.262SS..THydrogen-bonded Turntrans-62.1-27.9-172.1-56.8174.8128.300114V58 G111 A114E56-V58 PolarHBondContact O-N 3.43Å; E56-G111 WeakPolarHBondContact OE1-CA 3.23Å; E56-G111 PolarHBondContact OE1-N 3.12Å; E56-A114 HydrophobicContact CG-CB 3.82Å
57N96.2Very high97.9Very high161 Ų16149.6 Ų49.686%0.86126%0.257SS*.THydrogen-bonded Turntrans-77.3-2.2-178.3-63.4-53.4000113.3G55G55-N57 PolarHBondContact O-N 2.85Å
58V97.9Very high97.8Very high22 Ų2254.4 Ų54.413%0.13329%0.29CS..  trans-112.492.6-177.4178.40000109.8L52 L54 G55 E56 R61L52-V58 HydrophobicContact CD1-CG1 4.3Å; L54-V58 HydrophobicContact CB-CB 3.82Å; L54-V58 HydrophobicContact CB-CG1 3.76Å; L54-V58 HydrophobicContact CB-CG2 4.04Å; L54-V58 HydrophobicContact CD1-CG1 3.82Å; L54-V58 HydrophobicContact CG-CG1 4.43Å; G55-V58 PolarHBondContact O-N 3.09Å; G55-V58 VanDerWaalsContact O-N 3.15Å; E56-V58 PolarHBondContact O-N 3.43Å; V58-R61 HydrophobicContact CG1-CG 4.18Å
59T96.9Very high97.8Very high76 Ų7651.5 Ų51.547%0.46627%0.274SS..  trans-89.6-19.1-178.358.60000113.7G47G47-T59 WeakPolarHBondContact CA-O 3.42Å; G47-T59 PolarHBondContact N-O 3.4Å
60E97.9Very high97.8Very high63 Ų6353.3 Ų53.329%0.29429%0.288SS..EExtended strand (participates in β ladder)trans-149.4153.217766.3169.6-135.100113.6G45 R62 L374G45-E60 WeakPolarHBondContact O-CA 3.48Å; E60-R62 IonicContact OE1-CZ 3.59Å; E60-R62 IonicContact OE1-NE 2.75Å; E60-R62 PolarHBondContact OE1-NE 3.09Å; E60-R62 IonicContact OE1-NH2 3.1Å; E60-R62 PolarHBondContact OE1-NH2 2.93Å; E60-R62 IonicContact OE2-NH2 3.38Å; E60-L374 HydrophobicContact CB-CD1 4.45Å
61R98.4Very high97.7Very high95 Ų9555 Ų5536%0.35829%0.293SS..EExtended strand (participates in β ladder)trans-140.6109.6169-74.8-64.1177.4-102.24.6111G45 L52 L54 V58 K63 A65G45-R61 PolarHBondContact N-O 3.47Å; G45-R61 PolarHBondContact O-N 3.02Å; L52-R61 HydrophobicContact CD1-CB 4.25Å; L52-R61 HydrophobicContact CD1-CG 4.07Å; L54-R61 HydrophobicContact CD1-CG 3.72Å; V58-R61 HydrophobicContact CG1-CG 4.18Å; R61-K63 VanDerWaalsContact C-N 3.28Å; R61-K63 PolarHBondContact O-N 2.94Å; R61-A65 HydrophobicContact CG-CB 3.98Å
62R97.8Very high97.7Very high90 Ų9060.9 Ų60.934%0.3432%0.319SS..EExtended strand (participates in β ladder)trans-69.5-21.1177.7-64177.5-175.5-92.5-13.9114.3E60 L374 E381E60-R62 IonicContact OE1-CZ 3.59Å; E60-R62 IonicContact OE1-NE 2.75Å; E60-R62 PolarHBondContact OE1-NE 3.09Å; E60-R62 IonicContact OE1-NH2 3.1Å; E60-R62 PolarHBondContact OE1-NH2 2.93Å; E60-R62 IonicContact OE2-NH2 3.38Å; R62-L374 HydrophobicContact CB-CD1 4.45Å; R62-L374 HydrophobicContact CB-CD2 4.41Å; R62-L374 HydrophobicContact CG-CD1 3.5Å; R62-L374 VanDerWaalsContact CG-CD1 3.5Å; R62-L374 HydrophobicContact CG-CD2 3.84Å; R62-L374 HydrophobicContact CG-CG 4.18Å; R62-E381 IonicContact CZ-OE1 3.81Å; R62-E381 IonicContact NH1-OE1 3.98Å; R62-E381 PolarHBondContact NH1-OE1 3.32Å; R62-E381 VanDerWaalsContact NH1-OE1 3.1Å; R62-E381 IonicContact NH2-OE1 2.66Å; R62-E381 PolarHBondContact NH2-OE1 2.88Å
63K98.2Very high97.7Very high104 Ų10460.9 Ų60.945%0.45232%0.319SS..EExtended strand (participates in β ladder)trans-136.6156.5179.4-66.4-159.6176.4-1630110.5R61 A65R61-K63 VanDerWaalsContact C-N 3.28Å; R61-K63 PolarHBondContact O-N 2.94Å; K63-A65 PolarHBondContact O-N 2.86Å
64P98.6Very high97.7Very high10 Ų1061.4 Ų61.47%0.06532%0.321CS..EExtended strand (participates in β ladder)trans-52.3122.7179.4-25.232.4000112.4L42 L44 M390 Q394 L395 L412L42-P64 HydrophobicContact CB-CB 4Å; L42-P64 HydrophobicContact CD1-CB 3.79Å; L44-P64 HydrophobicContact CD2-CG 4.19Å; P64-M390 HydrophobicContact CG-CE 4.28Å; P64-Q394 WeakPolarHBondContact O-CG 3.31Å; P64-L395 HydrophobicContact CG-CD1 3.98Å; P64-L395 HydrophobicContact CG-CG 4.26Å; P64-L412 HydrophobicContact CB-CD1 4.46Å; P64-L412 HydrophobicContact CG-CD1 4.21Å
65A98.6Very high97.7Very high16 Ų1659.9 Ų59.913%0.13231%0.313CS..EExtended strand (participates in β ladder)trans-111.8138.8176.800000110.1L42 V43 L54 R61 K63 L67L42-A65 CarbonylContact C-O 3.26Å; L42-A65 WeakPolarHBondContact CA-O 3.35Å; V43-A65 PolarHBondContact N-O 2.95Å; V43-A65 PolarHBondContact O-N 3.04Å; L54-A65 HydrophobicContact CD1-CB 3.9Å; R61-A65 HydrophobicContact CG-CB 3.98Å; K63-A65 PolarHBondContact O-N 2.86Å; A65-L67 PolarHBondContact O-N 3.15Å
66L98.5Very high97.8Very high59 Ų5959 Ų5931%0.30930%0.303SS..EExtended strand (participates in β ladder)trans-70.6127.1178.7-179.765.6000110.7Q40 L42Q40-L66 HydrophobicContact CB-CD1 3.94Å; L42-L66 HydrophobicContact CD2-CB 4.07Å; L42-L66 HydrophobicContact CD2-CD1 3.81Å
67L98.4Very high98Very high8 Ų855 Ų554%0.04229%0.286CS..PPolyproline II helixtrans-91.5130172.9-178.165.7000110.1V41 V43 G53 L54 A65 L69 F95 P116V41-L67 HydrophobicContact CB-CB 4.24Å; V41-L67 HydrophobicContact CB-CD2 4.23Å; V41-L67 HydrophobicContact CG1-CB 4.28Å; V41-L67 HydrophobicContact CG1-CD2 3.91Å; V41-L67 WeakPolarHBondContact O-CB 3.38Å; V41-L67 PolarHBondContact O-N 3.06Å; V43-L67 HydrophobicContact CG1-CD2 4.42Å; G53-L67 WeakPolarHBondContact O-CD1 3.35Å; L54-L67 HydrophobicContact CD2-CD1 3.94Å; A65-L67 PolarHBondContact O-N 3.15Å; L67-L69 HydrophobicContact CD2-CD1 4.05Å; L67-L69 HydrophobicContact CD2-CG 4.22Å; L67-L69 HydrophobicContact CG-CD1 4.43Å; L67-L69 HydrophobicContact CG-CG 4.27Å; L67-F95 HydrophobicContact CD2-CE1 3.53Å; L67-F95 HydrophobicContact CD2-CE2 4.23Å; L67-F95 HydrophobicContact CD2-CZ 3.3Å; L67-P116 HydrophobicContact CD1-CG 3.77Å; L67-P116 HydrophobicContact CD2-CG 4.01Å; L67-P116 HydrophobicContact CG-CG 4.06Å
68S97.2Very high98.1Very high105 Ų10547.7 Ų47.773%0.73425%0.248SC*.PPolyproline II helixtrans-84.3118.3176.3-64.30000110.2
69L97.8Very high98.1Very high36 Ų3646.8 Ų46.819%0.18824%0.243CC..  trans-125.4148.8177.6-76.4159000109.6V41 L67 E71 M73 C85 Y93 P116V41-L69 HydrophobicContact CB-CD1 3.95Å; V41-L69 HydrophobicContact CG2-CD1 3.65Å; L67-L69 HydrophobicContact CD2-CD1 4.05Å; L67-L69 HydrophobicContact CD2-CG 4.22Å; L67-L69 HydrophobicContact CG-CD1 4.43Å; L67-L69 HydrophobicContact CG-CG 4.27Å; L69-E71 WeakPolarHBondContact CB-O 3.49Å; L69-E71 PolarHBondContact O-N 3.39Å; L69-M73 HydrophobicContact CB-CE 4.1Å; L69-M73 HydrophobicContact CD1-CE 4.15Å; L69-M73 HydrophobicContact CD1-CG 3.59Å; L69-M73 HydrophobicContact CD1-SD 4.16Å; L69-M73 HydrophobicContact CD2-CE 4.44Å; L69-M73 HydrophobicContact CG-CE 4.48Å; L69-C85 HydrophobicContact CD1-CB 4.4Å; L69-Y93 HydrophobicContact CD2-CG 4.21Å; L69-P116 HydrophobicContact CD2-CB 3.47Å; L69-P116 VanDerWaalsContact CD2-CB 3.47Å; L69-P116 HydrophobicContact CD2-CG 3.83Å; L69-P116 HydrophobicContact CG-CG 4.48Å
70P96.9Very high98.2Very high95 Ų9543.5 Ų43.562%0.61722%0.224SC*.SBendtrans-71.7-17.7-178.129.5-36.3000113.4Y93P70-Y93 HydrophobicContact CG-CD1 4.19Å; P70-Y93 HydrophobicContact CG-CE1 3.33Å; P70-Y93 HydrophobicContact CG-CE2 4.33Å; P70-Y93 VanDerWaalsContact CG-CZ 3.42Å; P70-Y93 WeakPolarHBondContact CG-OH 3.45Å
71E97.1Very high98.2Very high43 Ų4343 Ų4320%0.20122%0.223CC..SBendtrans-133.4163.7178.9-61.5-175.1-120.600109.2L69 M73 S87 T89 H91 Y93L69-E71 WeakPolarHBondContact CB-O 3.49Å; L69-E71 PolarHBondContact O-N 3.39Å; E71-M73 HydrophobicContact CB-CE 3.85Å; E71-M73 WeakPolarHBondContact O-CE 3.28Å; E71-S87 PolarHBondContact OE2-OG 3.04Å; E71-T89 PolarHBondContact OE1-OG1 2.88Å; E71-T89 WeakPolarHBondContact OE2-CB 3.48Å; E71-T89 WeakPolarHBondContact OE2-CG2 3.46Å; E71-T89 PolarHBondContact OE2-OG1 2.97Å; E71-H91 IonicContact OE1-CE1 2.79Å; E71-H91 IonicContact OE1-CG 3.7Å; E71-H91 IonicContact OE1-ND1 2.68Å; E71-H91 PolarHBondContact OE1-ND1 3.4Å; E71-H91 IonicContact OE2-ND1 3.24Å; E71-Y93 PolarHBondContact OE1-OH 3.19Å
72K97.3Very high98.2Very high123 Ų12338.6 Ų38.654%0.53521%0.206SC..  trans-80.8152.4168.8-62.1-174.1-179.7-177.70110.5V38 S87 E88V38-K72 HydrophobicContact CG1-CB 3.16Å; V38-K72 HydrophobicContact CG1-CD 3.59Å; V38-K72 HydrophobicContact CG1-CG 4.02Å; K72-S87 WeakPolarHBondContact O-CA 3.5Å; K72-E88 PolarHBondContact O-N 3.2Å
73M98.6Very high98.3Very high1 Ų134.3 Ų34.31%0.00519%0.19CC..EExtended strand (participates in β ladder)trans-106.4147-172.2-60.1-62.5122.600111.4V38 G39 V41 L69 E71 C85 L86 Y93 L413V38-M73 CarbonylContact C-O 3.58Å; V38-M73 WeakPolarHBondContact CA-O 3.08Å; G39-M73 PolarHBondContact N-O 2.84Å; G39-M73 PolarHBondContact O-N 2.8Å; V41-M73 HydrophobicContact CG2-CB 3.98Å; V41-M73 HydrophobicContact CG2-CG 3.69Å; L69-M73 HydrophobicContact CB-CE 4.1Å; L69-M73 HydrophobicContact CD1-CE 4.15Å; L69-M73 HydrophobicContact CD1-CG 3.59Å; L69-M73 HydrophobicContact CD1-SD 4.16Å; L69-M73 HydrophobicContact CD2-CE 4.44Å; L69-M73 HydrophobicContact CG-CE 4.48Å; E71-M73 HydrophobicContact CB-CE 3.85Å; E71-M73 WeakPolarHBondContact O-CE 3.28Å; M73-C85 HydrophobicContact CG-CB 4Å; M73-C85 HydrophobicContact SD-CB 3.54Å; M73-C85 VanDerWaalsContact SD-CB 3.54Å; M73-L86 CarbonylContact C-O 3.56Å; M73-L86 VanDerWaalsContact CA-O 3.29Å; M73-L86 WeakPolarHBondContact CA-O 3.45Å; M73-Y93 HydrophobicContact CE-CD2 3.96Å; M73-Y93 HydrophobicContact CE-CE2 4.15Å; M73-Y93 HydrophobicContact SD-CD2 4.39Å; M73-L413 HydrophobicContact CB-CD1 3.84Å
74V98.6Very high98.3Very high16 Ų1629.3 Ų29.310%0.09717%0.168CC..EExtended strand (participates in β ladder)trans-105.4-19.1171.1-670000112.4C35 E37 V38 L86 E88 L413C35-V74 WeakPolarHBondContact CB-O 3.5Å; E37-V74 WeakPolarHBondContact O-CA 3.37Å; V38-V74 HydrophobicContact CG2-CG1 3.82Å; V74-L86 HydrophobicContact CG2-CB 4.35Å; V74-L86 HydrophobicContact CG2-CD2 4Å; V74-L86 HydrophobicContact CG2-CG 3.8Å; V74-L86 WeakPolarHBondContact CG2-O 3.25Å; V74-L86 PolarHBondContact N-O 3.24Å; V74-E88 HydrophobicContact CG1-CB 4.02Å; V74-L413 WeakPolarHBondContact O-CD2 3.37Å
75Q98.8Very high98.3Very high14 Ų1428.9 Ų28.97%0.06517%0.165CC..EExtended strand (participates in β ladder)trans-148.6143.1177.9-161.5-170.9-3.800110.2V77 L86 V128Q75-V77 HydrophobicContact CG-CG2 4.31Å; Q75-L86 HydrophobicContact CB-CB 3.99Å; Q75-L86 HydrophobicContact CB-CD2 4.31Å; Q75-L86 PolarHBondContact N-O 3.38Å; Q75-L86 PolarHBondContact O-N 3.12Å; Q75-V128 HydrophobicContact CG-CG2 4.36Å; Q75-V128 PolarHBondContact NE2-O 2.81Å
76V98.8Very high98.3Very high0 Ų028.1 Ų28.10%016%0.159CC..EExtended strand (participates in β ladder)trans-129.3137.8167.8660000109.9V41 T83 V84 Q402 A411 L413V41-V76 HydrophobicContact CG1-CG2 4.04Å; V41-V76 HydrophobicContact CG2-CB 4.4Å; V41-V76 HydrophobicContact CG2-CG2 4.48Å; V76-T83 HydrophobicContact CG2-CG2 3.8Å; V76-V84 WeakPolarHBondContact CA-O 3.28Å; V76-Q402 VanDerWaalsContact N-OE1 3.11Å; V76-Q402 VanDerWaalsContact O-CD 3.32Å; V76-Q402 PolarHBondContact O-NE2 3.03Å; V76-Q402 PolarHBondContact O-OE1 3.03Å; V76-A411 HydrophobicContact CG1-CB 4.29Å; V76-A411 HydrophobicContact CG2-CB 3.54Å; V76-L413 HydrophobicContact CG1-CB 3.96Å
77V98.8Very high98.3Very high17 Ų1725.4 Ų25.410%0.10315%0.145CC..EExtended strand (participates in β ladder)trans-134.9123.8177.7-175.90000109Q75 V84 V128 A130 S404Q75-V77 HydrophobicContact CG-CG2 4.31Å; V77-V84 PolarHBondContact N-O 3.06Å; V77-V84 PolarHBondContact O-N 3.11Å; V77-V128 HydrophobicContact CG2-CG2 3.9Å; V77-A130 HydrophobicContact CG1-CB 3.92Å; V77-S404 WeakPolarHBondContact CA-OG 3.39Å
78A98.8Very high98.3Very high8 Ų829.9 Ų29.97%0.06617%0.165CC..EExtended strand (participates in β ladder)trans-89.9115.5170.300000108.6S404 H409A78-S404 PolarHBondContact N-OG 2.68Å; A78-H409 WeakPolarHBondContact CB-NE2 3.28Å
79G98.6Very high98.3Very high4 Ų428.1 Ų28.14%0.04115%0.15CC..  trans-77-167.6164.600000110.9H82 G131 G406 H409G79-H82 WeakPolarHBondContact CA-O 3.35Å; G79-H82 PolarHBondContact N-O 2.84Å; G79-G131 CarbonylContact C-O 3.48Å; G79-G131 WeakPolarHBondContact CA-O 3.28Å; G79-G406 WeakPolarHBondContact O-CA 3.28Å; G79-H409 PolarHBondContact O-CE1 2.96Å
80G98.1Very high98.3Very high6 Ų626.6 Ų26.66%0.06214%0.143CC..SBendtrans-56.9-58.8-179.800000112.1G131 D132 G407G80-G131 PolarHBondContact N-O 2.86Å; G80-D132 WeakPolarHBondContact CA-OD1 3.47Å; G80-G407 PolarHBondContact O-N 3.12Å
81M98.5Very high98.4Very high54 Ų5424.9 Ų24.927%0.26613%0.127SC..SBendtrans-129.922.6-175.9-59.8-58.2-64.600113.2V49 Q51 C97 Q408V49-M81 HydrophobicContact CG2-CB 4.05Å; V49-M81 HydrophobicContact CG2-CE 3.51Å; Q51-M81 WeakPolarHBondContact CB-O 3.49Å; M81-C97 HydrophobicContact CB-CB 3.96Å; M81-C97 PolarHBondContact O-N 3.33Å; M81-Q408 HydrophobicContact SD-CG 4.44Å
82H98.9Very high98.4Very high1 Ų123.2 Ų23.21%0.00512%0.12CC..EExtended strand (participates in β ladder)trans-149.5162.317770.5-77.5000110.9G79 F95 L103 G131 T135G79-H82 WeakPolarHBondContact CA-O 3.35Å; G79-H82 PolarHBondContact N-O 2.84Å; H82-F95 CarbonylContact C-O 3.52Å; H82-F95 WeakPolarHBondContact CA-O 3.49Å; H82-F95 WeakPolarHBondContact CB-O 3.35Å; H82-L103 HydrophobicContact CB-CD2 3.7Å; H82-G131 PolarHBondContact CE1-O 2.92Å; H82-G131 VanDerWaalsContact CE1-O 3.23Å; H82-T135 PolarHBondContact NE2-OG1 3.33Å
83T98.9Very high98.5Very high0 Ų018 Ų180%010%0.097CC..EExtended strand (participates in β ladder)trans-122.7144.1176.8-61.90000110.7Q51 V76 T94 F95 H409 A411Q51-T83 PolarHBondContact O-OG1 3.39Å; V76-T83 HydrophobicContact CG2-CG2 3.8Å; T83-T94 WeakPolarHBondContact O-CA 3.48Å; T83-F95 HydrophobicContact CG2-CE1 3.9Å; T83-F95 HydrophobicContact CG2-CE2 3.93Å; T83-F95 HydrophobicContact CG2-CZ 3.38Å; T83-F95 PolarHBondContact N-O 3.14Å; T83-F95 PolarHBondContact O-N 3.33Å; T83-H409 PolarHBondContact OG1-CD2 3.32Å; T83-H409 PolarHBondContact OG1-NE2 3.2Å; T83-A411 HydrophobicContact CG2-CB 4.33Å
84V98.9Very high98.5Very high0 Ų018 Ų180%010%0.097CC..EExtended strand (participates in β ladder)trans-123.8126.7177.3-171.20000109.3V76 V77 V92 Y93 T94 V128 A130 T135V76-V84 WeakPolarHBondContact CA-O 3.28Å; V77-V84 PolarHBondContact N-O 3.06Å; V77-V84 PolarHBondContact O-N 3.11Å; V84-V92 HydrophobicContact CG1-CG1 3.6Å; V84-Y93 WeakPolarHBondContact CA-O 3.39Å; V84-T94 HydrophobicContact CB-CG2 4.45Å; V84-T94 HydrophobicContact CG1-CG2 4.09Å; V84-T94 HydrophobicContact CG2-CG2 4.16Å; V84-V128 HydrophobicContact CG1-CB 3.96Å; V84-V128 HydrophobicContact CG1-CG1 4.04Å; V84-V128 HydrophobicContact CG1-CG2 4.06Å; V84-A130 HydrophobicContact CG2-CB 3.92Å; V84-T135 HydrophobicContact CG1-CG2 4.01Å; V84-T135 HydrophobicContact CG2-CG2 3.72Å
85C98.9Very high98.5Very high0 Ų017.2 Ų17.20%09%0.092CC..EExtended strand (participates in β ladder)trans-117.9134.8176.7-54.60000110.5L69 M73 V92 Y93L69-C85 HydrophobicContact CD1-CB 4.4Å; M73-C85 HydrophobicContact CG-CB 4Å; M73-C85 HydrophobicContact SD-CB 3.54Å; M73-C85 VanDerWaalsContact SD-CB 3.54Å; C85-V92 WeakPolarHBondContact O-CA 3.44Å; C85-Y93 PolarHBondContact N-O 2.78Å; C85-Y93 PolarHBondContact O-N 3.03Å
86L98.9Very high98.5Very high1 Ų116.6 Ų16.61%0.0059%0.089CC..EExtended strand (participates in β ladder)trans-107.4121.5175.7176.359.8000109.8M73 V74 Q75 V92 V125 V128M73-L86 CarbonylContact C-O 3.56Å; M73-L86 VanDerWaalsContact CA-O 3.29Å; M73-L86 WeakPolarHBondContact CA-O 3.45Å; V74-L86 HydrophobicContact CG2-CB 4.35Å; V74-L86 HydrophobicContact CG2-CD2 4Å; V74-L86 HydrophobicContact CG2-CG 3.8Å; V74-L86 WeakPolarHBondContact CG2-O 3.25Å; V74-L86 PolarHBondContact N-O 3.24Å; Q75-L86 HydrophobicContact CB-CB 3.99Å; Q75-L86 HydrophobicContact CB-CD2 4.31Å; Q75-L86 PolarHBondContact N-O 3.38Å; Q75-L86 PolarHBondContact O-N 3.12Å; L86-V92 HydrophobicContact CD1-CG2 4.21Å; L86-V125 HydrophobicContact CD1-CB 3.67Å; L86-V125 HydrophobicContact CD1-CG1 3.62Å; L86-V125 HydrophobicContact CD2-CG1 4.23Å; L86-V128 HydrophobicContact CB-CG1 4.22Å; L86-V128 HydrophobicContact CB-CG2 4.12Å
87S98.5Very high98.5Very high1 Ų118 Ų181%0.00710%0.099CC..EExtended strand (participates in β ladder)trans-78.1161.2179.379.40000112.8E71 K72 T89 G90 H91E71-S87 PolarHBondContact OE2-OG 3.04Å; K72-S87 WeakPolarHBondContact O-CA 3.5Å; S87-T89 PolarHBondContact O-N 2.8Å; S87-T89 PolarHBondContact OG-N 3.33Å; S87-T89 PolarHBondContact OG-OG1 3.11Å; S87-G90 PolarHBondContact O-N 3.19Å; S87-G90 PolarHBondContact OG-N 2.74Å; S87-H91 PolarHBondContact N-O 2.85Å; S87-H91 WeakPolarHBondContact OG-CB 3.3Å; S87-H91 PolarHBondContact OG-N 3.39Å; S87-H91 PolarHBondContact OG-O 3Å
88E97.1Very high98.5Very high102 Ų10218.3 Ų18.348%0.47710%0.1SC..THydrogen-bonded Turntrans-60.9-22.3173.868.6-174.9139.600114V38 K72 V74V38-E88 HydrophobicContact CG1-CB 4.39Å; V38-E88 HydrophobicContact CG2-CB 3.9Å; K72-E88 PolarHBondContact O-N 3.2Å; V74-E88 HydrophobicContact CG1-CB 4.02Å
89T97.1Very high98.4Very high68 Ų6824.7 Ų24.742%0.41713%0.133SC..THydrogen-bonded Turntrans-88.4-7.1176.464.70000113.2E71 S87 H91E71-T89 PolarHBondContact OE1-OG1 2.88Å; E71-T89 WeakPolarHBondContact OE2-CB 3.48Å; E71-T89 WeakPolarHBondContact OE2-CG2 3.46Å; E71-T89 PolarHBondContact OE2-OG1 2.97Å; S87-T89 PolarHBondContact O-N 2.8Å; S87-T89 PolarHBondContact OG-N 3.33Å; S87-T89 PolarHBondContact OG-OG1 3.11Å; T89-H91 PolarHBondContact OG1-ND1 3.26Å; T89-H91 VanDerWaalsContact OG1-ND1 3.07Å
90G97.8Very high98.4Very high4 Ų425.9 Ų25.94%0.04114%0.138CC..SBendtrans90.815.2-179.500000114.6S87 V125S87-G90 PolarHBondContact O-N 3.19Å; S87-G90 PolarHBondContact OG-N 2.74Å; G90-V125 WeakPolarHBondContact CA-O 3.4Å; G90-V125 WeakPolarHBondContact O-CB 3.39Å; G90-V125 PolarHBondContact O-N 3.03Å
91H98.6Very high98.4Very high59 Ų5925.8 Ų25.827%0.27314%0.137SC..  trans-83.1149.2170.2-61.2137.1000111.3E71 S87 T89 Y93 K118E71-H91 IonicContact OE1-CE1 2.79Å; E71-H91 IonicContact OE1-CG 3.7Å; E71-H91 IonicContact OE1-ND1 2.68Å; E71-H91 PolarHBondContact OE1-ND1 3.4Å; E71-H91 IonicContact OE2-ND1 3.24Å; S87-H91 PolarHBondContact N-O 2.85Å; S87-H91 WeakPolarHBondContact OG-CB 3.3Å; S87-H91 PolarHBondContact OG-N 3.39Å; S87-H91 PolarHBondContact OG-O 3Å; T89-H91 PolarHBondContact OG1-ND1 3.26Å; T89-H91 VanDerWaalsContact OG1-ND1 3.07Å; H91-Y93 HydrophobicContact CB-CE2 3.87Å; H91-K118 WeakPolarHBondContact CD2-CE 3.46Å; H91-K118 PolarHBondContact CD2-NZ 2.82Å; H91-K118 PolarHBondContact CE1-NZ 3.43Å; H91-K118 VanDerWaalsContact CG-CE 3.44Å; H91-K118 VanDerWaalsContact CG-NZ 3.35Å; H91-K118 PolarHBondContact ND1-NZ 3.29Å; H91-K118 PolarHBondContact NE2-NZ 3.45Å
92V98.8Very high98.4Very high8 Ų823.4 Ų23.45%0.04813%0.125CC..EExtended strand (participates in β ladder)trans-108.5132.6177.6-179.30000109.7V84 C85 L86 T94 V119 V125 V128V84-V92 HydrophobicContact CG1-CG1 3.6Å; C85-V92 WeakPolarHBondContact O-CA 3.44Å; L86-V92 HydrophobicContact CD1-CG2 4.21Å; V92-T94 HydrophobicContact CG1-CG2 4.1Å; V92-V119 HydrophobicContact CB-CB 4.19Å; V92-V119 HydrophobicContact CB-CG2 4.28Å; V92-V119 HydrophobicContact CG1-CB 4.41Å; V92-V119 HydrophobicContact CG1-CG2 3.98Å; V92-V119 PolarHBondContact O-N 2.88Å; V92-V125 HydrophobicContact CG2-CB 4.05Å; V92-V125 HydrophobicContact CG2-CG1 4Å; V92-V125 HydrophobicContact CG2-CG2 3.83Å; V92-V128 HydrophobicContact CG1-CG1 4.38Å; V92-V128 HydrophobicContact CG2-CG1 3.93Å
93Y98.9Very high98.4Very high14 Ų1423.4 Ų23.46%0.05513%0.125CC..EExtended strand (participates in β ladder)trans-118.2137.1174.8-66.1-92.5000109.8L69 P70 E71 M73 V84 C85 H91 G117 K118L69-Y93 HydrophobicContact CD2-CG 4.21Å; P70-Y93 HydrophobicContact CG-CD1 4.19Å; P70-Y93 HydrophobicContact CG-CE1 3.33Å; P70-Y93 HydrophobicContact CG-CE2 4.33Å; P70-Y93 VanDerWaalsContact CG-CZ 3.42Å; P70-Y93 WeakPolarHBondContact CG-OH 3.45Å; E71-Y93 PolarHBondContact OE1-OH 3.19Å; M73-Y93 HydrophobicContact CE-CD2 3.96Å; M73-Y93 HydrophobicContact CE-CE2 4.15Å; M73-Y93 HydrophobicContact SD-CD2 4.39Å; V84-Y93 WeakPolarHBondContact CA-O 3.39Å; C85-Y93 PolarHBondContact N-O 2.78Å; C85-Y93 PolarHBondContact O-N 3.03Å; H91-Y93 HydrophobicContact CB-CE2 3.87Å; Y93-G117 CarbonylContact C-O 3.55Å; Y93-G117 VanDerWaalsContact CA-O 3.3Å; Y93-G117 WeakPolarHBondContact CA-O 3.41Å; Y93-K118 HydrophobicContact CD1-CB 4.06Å; Y93-K118 HydrophobicContact CE1-CB 3.7Å; Y93-K118 HydrophobicContact CE1-CG 4.14Å
94T98.9Very high98.4Very high1 Ų123.5 Ų23.51%0.00613%0.126CC..EExtended strand (participates in β ladder)trans-136.6147.1-174.954.30000111.8T83 V84 V92 L103 R105 G117 V119T83-T94 WeakPolarHBondContact O-CA 3.48Å; V84-T94 HydrophobicContact CB-CG2 4.45Å; V84-T94 HydrophobicContact CG1-CG2 4.09Å; V84-T94 HydrophobicContact CG2-CG2 4.16Å; V92-T94 HydrophobicContact CG1-CG2 4.1Å; T94-L103 WeakPolarHBondContact CB-O 2.99Å; T94-L103 WeakPolarHBondContact CG2-O 3.46Å; T94-L103 PolarHBondContact OG1-O 2.83Å; T94-R105 PolarHBondContact O-NE 2.89Å; T94-R105 PolarHBondContact O-NH2 3.35Å; T94-R105 PolarHBondContact OG1-NE 2.87Å; T94-G117 PolarHBondContact N-O 3.38Å; T94-G117 PolarHBondContact O-N 3.11Å; T94-V119 HydrophobicContact CG2-CG2 3.61Å; T94-V119 WeakPolarHBondContact OG1-CG2 3.37Å
95F98.9Very high98.4Very high0 Ų024.7 Ų24.70%013%0.131CC..EExtended strand (participates in β ladder)trans-158.1155.4176.151.8-86.2000110.9Q51 L52 L67 H82 T83 E113 P116Q51-F95 VanDerWaalsContact O-CE2 3.27Å; Q51-F95 WeakPolarHBondContact O-CE2 3.29Å; L52-F95 VanDerWaalsContact C-CE2 3.43Å; L67-F95 HydrophobicContact CD2-CE1 3.53Å; L67-F95 HydrophobicContact CD2-CE2 4.23Å; L67-F95 HydrophobicContact CD2-CZ 3.3Å; H82-F95 CarbonylContact C-O 3.52Å; H82-F95 WeakPolarHBondContact CA-O 3.49Å; H82-F95 WeakPolarHBondContact CB-O 3.35Å; T83-F95 HydrophobicContact CG2-CE1 3.9Å; T83-F95 HydrophobicContact CG2-CE2 3.93Å; T83-F95 HydrophobicContact CG2-CZ 3.38Å; T83-F95 PolarHBondContact N-O 3.14Å; T83-F95 PolarHBondContact O-N 3.33Å; F95-E113 CarbonylContact C-O 3.09Å; F95-E113 VanDerWaalsContact CA-O 3.32Å; F95-E113 WeakPolarHBondContact CA-O 2.98Å; F95-E113 WeakPolarHBondContact CB-O 3.46Å; F95-P116 HydrophobicContact CD1-CB 3.86Å; F95-P116 HydrophobicContact CD1-CG 3.74Å; F95-P116 HydrophobicContact CE1-CB 4.32Å; F95-P116 HydrophobicContact CE1-CG 3.99Å; F95-P116 HydrophobicContact CG-CG 4.38Å
96G98.8Very high98.3Very high0 Ų030.5 Ų30.50%016%0.162CC..EExtended strand (participates in β ladder)trans117.3-157.9-174.400000113.6V49 N98 L103 E113V49-G96 CarbonylContact O-C 3.25Å; V49-G96 VanDerWaalsContact O-CA 3.24Å; V49-G96 WeakPolarHBondContact O-CA 2.98Å; G96-N98 PolarHBondContact O-N 3.43Å; G96-L103 WeakPolarHBondContact O-CD1 3.18Å; G96-E113 PolarHBondContact N-O 3.01Å; G96-E113 WeakPolarHBondContact O-CB 3.45Å
97C98.5Very high98.3Very high31 Ų3132.2 Ų32.221%0.20917%0.172CC..  trans-62.7130.8-178.9177.60000111.9V49 M81V49-C97 HydrophobicContact CB-CB 4.19Å; V49-C97 HydrophobicContact CG2-CB 3.86Å; V49-C97 PolarHBondContact O-N 2.81Å; M81-C97 HydrophobicContact CB-CB 3.96Å; M81-C97 PolarHBondContact O-N 3.33Å
98N98.4Very high98.2Very high22 Ų2237.1 Ų37.112%0.11821%0.207CC..  trans-120.613.5178.5-155.528.8000114.5G96 E100 G101 A102 L103 R105 T107G96-N98 PolarHBondContact O-N 3.43Å; N98-E100 PolarHBondContact O-N 2.82Å; N98-G101 PolarHBondContact O-N 3Å; N98-G101 WeakPolarHBondContact OD1-CA 3.43Å; N98-A102 PolarHBondContact OD1-N 3.39Å; N98-L103 HydrophobicContact CB-CB 4.36Å; N98-L103 HydrophobicContact CB-CD1 3.79Å; N98-L103 HydrophobicContact CB-CG 3.72Å; N98-L103 VanDerWaalsContact OD1-CB 3.29Å; N98-L103 WeakPolarHBondContact OD1-CB 3.4Å; N98-L103 WeakPolarHBondContact OD1-CG 3.34Å; N98-L103 PolarHBondContact OD1-N 2.86Å; N98-R105 PolarHBondContact ND2-O 2.92Å; N98-T107 HydrophobicContact CB-CG2 4.17Å; N98-T107 VanDerWaalsContact ND2-CG2 3.32Å; N98-T107 WeakPolarHBondContact ND2-CG2 3.49Å; N98-T107 PolarHBondContact ND2-OG1 2.73Å
99D97.6Very high98.2Very high142 Ų14239.5 Ų39.576%0.75922%0.218SC*.THydrogen-bonded Turntrans-55.8-31.6-176.5-64.2-9.6000113.1
100E97.4Very high98.1Very high30 Ų3044.8 Ų44.814%0.1424%0.238CC..THydrogen-bonded Turntrans-101.70.9178.9-65.9-62.114900113.7N98 G148 S149 R151 V156 T165N98-E100 PolarHBondContact O-N 2.82Å; E100-G148 CarbonylContact O-C 3.56Å; E100-G148 WeakPolarHBondContact O-CA 3.38Å; E100-S149 WeakPolarHBondContact OE2-CB 3.39Å; E100-S149 PolarHBondContact OE2-OG 3.23Å; E100-R151 IonicContact OE1-CZ 3.45Å; E100-R151 IonicContact OE1-NH1 2.65Å; E100-R151 IonicContact OE1-NH2 2.82Å; E100-R151 PolarHBondContact OE1-NH2 2.83Å; E100-V156 WeakPolarHBondContact OE1-CG2 3.49Å; E100-V156 VanDerWaalsContact OE2-CG2 3.3Å; E100-V156 WeakPolarHBondContact OE2-CG2 3.37Å; E100-T165 VanDerWaalsContact OE2-CG2 3.28Å; E100-T165 WeakPolarHBondContact OE2-CG2 3.33Å
101G98.1Very high98Very high4 Ų445 Ų454%0.04124%0.24CC..SBendtrans8119.3-175.700000114.5N98 L103 G104 G148N98-G101 PolarHBondContact O-N 3Å; N98-G101 WeakPolarHBondContact OD1-CA 3.43Å; G101-L103 PolarHBondContact O-N 2.87Å; G101-G104 PolarHBondContact O-N 3.45Å; G101-G104 VanDerWaalsContact O-N 3.12Å; G101-G148 PolarHBondContact O-N 2.86Å
102A98.6Very high98Very high3 Ų343.1 Ų43.13%0.02523%0.234CC..THydrogen-bonded Turntrans-60.7-25.1-177.100000113.2N98 G104 T135N98-A102 PolarHBondContact OD1-N 3.39Å; A102-G104 VanDerWaalsContact C-N 3.34Å; A102-T135 VanDerWaalsContact O-CB 3.29Å; A102-T135 WeakPolarHBondContact O-CB 3.35Å; A102-T135 PolarHBondContact O-OG1 2.82Å
103L98.8Very high98Very high1 Ų145.5 Ų45.51%0.00524%0.244CC..THydrogen-bonded Turntrans-78.3-16.8179.1-54.4-167.1000113.3H82 T94 G96 N98 G101 R105 T107 E113 V119H82-L103 HydrophobicContact CB-CD2 3.7Å; T94-L103 WeakPolarHBondContact CB-O 2.99Å; T94-L103 WeakPolarHBondContact CG2-O 3.46Å; T94-L103 PolarHBondContact OG1-O 2.83Å; G96-L103 WeakPolarHBondContact O-CD1 3.18Å; N98-L103 HydrophobicContact CB-CB 4.36Å; N98-L103 HydrophobicContact CB-CD1 3.79Å; N98-L103 HydrophobicContact CB-CG 3.72Å; N98-L103 VanDerWaalsContact OD1-CB 3.29Å; N98-L103 WeakPolarHBondContact OD1-CB 3.4Å; N98-L103 WeakPolarHBondContact OD1-CG 3.34Å; N98-L103 PolarHBondContact OD1-N 2.86Å; G101-L103 PolarHBondContact O-N 2.87Å; L103-R105 HydrophobicContact CB-CG 4.02Å; L103-R105 PolarHBondContact O-N 2.61Å; L103-T107 HydrophobicContact CD1-CG2 3.87Å; L103-E113 HydrophobicContact CD1-CB 4.02Å; L103-V119 VanDerWaalsContact O-CG2 3.31Å; L103-V119 WeakPolarHBondContact O-CG2 3.09Å
104G98.5Very high97.9Very high2 Ų245 Ų452%0.02124%0.243CC..  trans66.519.3177.900000114.8G101 A102 C147 P167 P169G101-G104 PolarHBondContact O-N 3.45Å; G101-G104 VanDerWaalsContact O-N 3.12Å; A102-G104 VanDerWaalsContact C-N 3.34Å; G104-C147 WeakPolarHBondContact CA-SG 3.32Å; G104-P167 CarbonylContact C-O 3.55Å; G104-P167 VanDerWaalsContact C-O 3.26Å; G104-P167 WeakPolarHBondContact CA-O 3.39Å; G104-P169 WeakPolarHBondContact O-CD 3.34Å
105R98.5Very high97.9Very high26 Ų2647.9 Ų47.910%0.09826%0.26CS..SBendtrans-145.1163.1-17864.2178.9178.785.8-7.3110.5T94 N98 L103 S112 V115 P167T94-R105 PolarHBondContact O-NE 2.89Å; T94-R105 PolarHBondContact O-NH2 3.35Å; T94-R105 PolarHBondContact OG1-NE 2.87Å; N98-R105 PolarHBondContact ND2-O 2.92Å; L103-R105 HydrophobicContact CB-CG 4.02Å; L103-R105 PolarHBondContact O-N 2.61Å; R105-S112 VanDerWaalsContact CZ-O 3.32Å; R105-S112 PolarHBondContact NH1-O 3.2Å; R105-S112 PolarHBondContact NH2-O 3.18Å; R105-V115 PolarHBondContact NH2-O 3.02Å; R105-P167 PolarHBondContact N-O 2.87Å
106D97.9Very high97.9Very high122 Ų12249.3 Ų49.365%0.65227%0.269SS*.  trans-67.7134173.2-169.27.3000110.4S108D106-S108 VanDerWaalsContact OD1-CB 3.27Å; D106-S108 WeakPolarHBondContact OD1-CB 3.37Å; D106-S108 PolarHBondContact OD1-N 2.54Å; D106-S108 PolarHBondContact OD1-OG 2.94Å
107T97.9Very high97.9Very high36 Ų3650 Ų5022%0.22128%0.277CS..  trans-132.429.9173.957.40000111.2N98 L103 E109 S112 E113N98-T107 HydrophobicContact CB-CG2 4.17Å; N98-T107 VanDerWaalsContact ND2-CG2 3.32Å; N98-T107 WeakPolarHBondContact ND2-CG2 3.49Å; N98-T107 PolarHBondContact ND2-OG1 2.73Å; L103-T107 HydrophobicContact CD1-CG2 3.87Å; T107-E109 PolarHBondContact O-N 3.26Å; T107-S112 WeakPolarHBondContact CA-OG 3.34Å; T107-E113 HydrophobicContact CG2-CB 3.79Å
108S96.8Very high97.9Very high105 Ų10553.2 Ų53.273%0.73429%0.287SS*.  trans-68.2-23.1178.4-57.90000112.7D106D106-S108 VanDerWaalsContact OD1-CB 3.27Å; D106-S108 WeakPolarHBondContact OD1-CB 3.37Å; D106-S108 PolarHBondContact OD1-N 2.54Å; D106-S108 PolarHBondContact OD1-OG 2.94Å
109E97.1Very high97.9Very high152 Ų15252.6 Ų52.671%0.7128%0.284SS*.SBendtrans-76.5125.5169.9-177.9177.3-17000109.4T107 G111 S112T107-E109 PolarHBondContact O-N 3.26Å; E109-G111 PolarHBondContact O-N 2.98Å; E109-S112 WeakPolarHBondContact O-CB 3.23Å; E109-S112 PolarHBondContact O-N 2.82Å; E109-S112 VanDerWaalsContact O-N 3.13Å; E109-S112 PolarHBondContact O-OG 2.92Å
110E95.6Very high97.9Very high179 Ų17951.5 Ų51.584%0.83628%0.283SS*.THydrogen-bonded Turntrans-56129.2179.7-169.2172.6-171.500110.8S112E110-S112 PolarHBondContact O-N 3.24Å
111G96.1Very high97.8Very high9 Ų951.3 Ų51.39%0.09328%0.283CS..THydrogen-bonded Turntrans80.1-5.5179.400000116.1E56 E109 E113 A114E56-G111 WeakPolarHBondContact OE1-CA 3.23Å; E56-G111 PolarHBondContact OE1-N 3.12Å; E109-G111 PolarHBondContact O-N 2.98Å; G111-E113 VanDerWaalsContact C-OE2 3.31Å; G111-E113 WeakPolarHBondContact CA-OE2 3.41Å; G111-E113 PolarHBondContact N-OE2 2.61Å; G111-E113 PolarHBondContact O-N 2.91Å; G111-A114 PolarHBondContact O-N 2.87Å; G111-A114 VanDerWaalsContact O-N 3.09Å
112S97.9Very high97.6Very high19 Ų1958.7 Ų58.713%0.13332%0.321CS..THydrogen-bonded Turntrans-66.2-20178.667.60000113.1R105 T107 E109 E110R105-S112 VanDerWaalsContact CZ-O 3.32Å; R105-S112 PolarHBondContact NH1-O 3.2Å; R105-S112 PolarHBondContact NH2-O 3.18Å; T107-S112 WeakPolarHBondContact CA-OG 3.34Å; E109-S112 WeakPolarHBondContact O-CB 3.23Å; E109-S112 PolarHBondContact O-N 2.82Å; E109-S112 VanDerWaalsContact O-N 3.13Å; E109-S112 PolarHBondContact O-OG 2.92Å; E110-S112 PolarHBondContact O-N 3.24Å
113E98.1Very high97.5Very high57 Ų5761.8 Ų61.827%0.26634%0.335SS..THydrogen-bonded Turntrans-77.6-27.4173.480.8-77.4-168.900112.7F95 G96 L103 T107 G111 V115F95-E113 CarbonylContact C-O 3.09Å; F95-E113 VanDerWaalsContact CA-O 3.32Å; F95-E113 WeakPolarHBondContact CA-O 2.98Å; F95-E113 WeakPolarHBondContact CB-O 3.46Å; G96-E113 PolarHBondContact N-O 3.01Å; G96-E113 WeakPolarHBondContact O-CB 3.45Å; L103-E113 HydrophobicContact CD1-CB 4.02Å; T107-E113 HydrophobicContact CG2-CB 3.79Å; G111-E113 VanDerWaalsContact C-OE2 3.31Å; G111-E113 WeakPolarHBondContact CA-OE2 3.41Å; G111-E113 PolarHBondContact N-OE2 2.61Å; G111-E113 PolarHBondContact O-N 2.91Å; E113-V115 VanDerWaalsContact C-N 3.26Å; E113-V115 PolarHBondContact O-N 3.47Å
114A98.3Very high97.4Very high3 Ų366.9 Ų66.93%0.02536%0.357CS..SBendtrans-83.53.9-178.600000114.2G53 L54 G55 E56 G111G53-A114 CarbonylContact C-O 3.56Å; G53-A114 WeakPolarHBondContact CA-O 3.29Å; L54-A114 PolarHBondContact N-O 3.3Å; G55-A114 WeakPolarHBondContact CA-O 3.46Å; G55-A114 PolarHBondContact N-O 2.69Å; E56-A114 HydrophobicContact CG-CB 3.82Å; G111-A114 PolarHBondContact O-N 2.87Å; G111-A114 VanDerWaalsContact O-N 3.09Å
115V98.4Very high97.4Very high63 Ų6367 Ų6738%0.38236%0.358SS..SBendtrans-131.9152.1174.3-64.90000110.7R105 E113 G117R105-V115 PolarHBondContact NH2-O 3.02Å; E113-V115 VanDerWaalsContact C-N 3.26Å; E113-V115 PolarHBondContact O-N 3.47Å; V115-G117 PolarHBondContact O-N 3.02Å; V115-G117 VanDerWaalsContact O-N 3.14Å
116P98.7Very high97.4Very high29 Ų2967.3 Ų67.319%0.18836%0.362CS..  trans-61.4117.9179.1-23.333.6000112.3G53 L67 L69 F95G53-P116 WeakPolarHBondContact O-CD 3.49Å; L67-P116 HydrophobicContact CD1-CG 3.77Å; L67-P116 HydrophobicContact CD2-CG 4.01Å; L67-P116 HydrophobicContact CG-CG 4.06Å; L69-P116 HydrophobicContact CD2-CB 3.47Å; L69-P116 VanDerWaalsContact CD2-CB 3.47Å; L69-P116 HydrophobicContact CD2-CG 3.83Å; L69-P116 HydrophobicContact CG-CG 4.48Å; F95-P116 HydrophobicContact CD1-CB 3.86Å; F95-P116 HydrophobicContact CD1-CG 3.74Å; F95-P116 HydrophobicContact CE1-CB 4.32Å; F95-P116 HydrophobicContact CE1-CG 3.99Å; F95-P116 HydrophobicContact CG-CG 4.38Å
117G98.6Very high97.5Very high15 Ų1562 Ų6216%0.15533%0.334CS..EExtended strand (participates in β ladder)trans-113.7144.217400000111.4Y93 T94 V115Y93-G117 CarbonylContact C-O 3.55Å; Y93-G117 VanDerWaalsContact CA-O 3.3Å; Y93-G117 WeakPolarHBondContact CA-O 3.41Å; T94-G117 PolarHBondContact N-O 3.38Å; T94-G117 PolarHBondContact O-N 3.11Å; V115-G117 PolarHBondContact O-N 3.02Å; V115-G117 VanDerWaalsContact O-N 3.14Å
118K98.6Very high97.5Very high98 Ų9860.4 Ų60.443%0.42632%0.324SS..EExtended strand (participates in β ladder)trans-75.1132.1179.1-172.9174.8178.2170.10110.8H91 Y93H91-K118 WeakPolarHBondContact CD2-CE 3.46Å; H91-K118 PolarHBondContact CD2-NZ 2.82Å; H91-K118 PolarHBondContact CE1-NZ 3.43Å; H91-K118 VanDerWaalsContact CG-CE 3.44Å; H91-K118 VanDerWaalsContact CG-NZ 3.35Å; H91-K118 PolarHBondContact ND1-NZ 3.29Å; H91-K118 PolarHBondContact NE2-NZ 3.45Å; Y93-K118 HydrophobicContact CD1-CB 4.06Å; Y93-K118 HydrophobicContact CE1-CB 3.7Å; Y93-K118 HydrophobicContact CE1-CG 4.14Å
119V98.6Very high97.6Very high9 Ų955.8 Ų55.86%0.05529%0.291CS..  trans-77.3132.7171.7178.60000109.6V92 T94 L103 L121 P169V92-V119 HydrophobicContact CB-CB 4.19Å; V92-V119 HydrophobicContact CB-CG2 4.28Å; V92-V119 HydrophobicContact CG1-CB 4.41Å; V92-V119 HydrophobicContact CG1-CG2 3.98Å; V92-V119 PolarHBondContact O-N 2.88Å; T94-V119 HydrophobicContact CG2-CG2 3.61Å; T94-V119 WeakPolarHBondContact OG1-CG2 3.37Å; L103-V119 VanDerWaalsContact O-CG2 3.31Å; L103-V119 WeakPolarHBondContact O-CG2 3.09Å; V119-L121 HydrophobicContact CG1-CB 4.42Å; V119-L121 PolarHBondContact O-N 3.02Å; V119-P169 HydrophobicContact CG1-CG 3.51Å
120T97.1Very high97.7Very high119 Ų11949 Ų4973%0.7326%0.262SS*.  trans-79.690.2176.9-59.20000109.7
121L96.3Very high97.9Very high26 Ų2640.7 Ų40.714%0.13622%0.224CC..  trans-137.3113.5175.3-178.962.1000109.2V119 E123 V125 A137 Y145 P169V119-L121 HydrophobicContact CG1-CB 4.42Å; V119-L121 PolarHBondContact O-N 3.02Å; L121-E123 HydrophobicContact CD1-CB 4.27Å; L121-E123 HydrophobicContact CD1-CG 3.9Å; L121-E123 HydrophobicContact CD2-CB 4.44Å; L121-E123 HydrophobicContact CG-CB 4Å; L121-E123 HydrophobicContact CG-CG 4.19Å; L121-E123 PolarHBondContact O-N 3.13Å; L121-V125 HydrophobicContact CD2-CG2 3.7Å; L121-A137 HydrophobicContact CD2-CB 4.26Å; L121-Y145 HydrophobicContact CD1-CD1 3.79Å; L121-Y145 HydrophobicContact CD1-CD2 4.12Å; L121-Y145 HydrophobicContact CD1-CE1 3.95Å; L121-Y145 HydrophobicContact CD1-CE2 4.26Å; L121-Y145 HydrophobicContact CD1-CG 3.87Å; L121-Y145 HydrophobicContact CD2-CD2 4.47Å; L121-Y145 HydrophobicContact CD2-CG 4.42Å; L121-P169 HydrophobicContact CD1-CB 4.41Å
122N94.4Very high98Very high160 Ų16042.7 Ų42.786%0.85623%0.232SC*.  trans-84.845.4-177.8-66.3-29.7000112
123E96.3Very high98Very high68 Ų6842.4 Ų42.432%0.31823%0.23SC..SBendtrans-134.8151.5-178-60.5-78-167.900109.2L121 V125 T139 Y145L121-E123 HydrophobicContact CD1-CB 4.27Å; L121-E123 HydrophobicContact CD1-CG 3.9Å; L121-E123 HydrophobicContact CD2-CB 4.44Å; L121-E123 HydrophobicContact CG-CB 4Å; L121-E123 HydrophobicContact CG-CG 4.19Å; L121-E123 PolarHBondContact O-N 3.13Å; E123-V125 PolarHBondContact O-N 2.97Å; E123-T139 HydrophobicContact CB-CG2 3.52Å; E123-T139 HydrophobicContact CG-CG2 4.06Å; E123-Y145 HydrophobicContact CG-CE2 3.7Å; E123-Y145 PolarHBondContact OE1-OH 3.29Å
124K96.8Very high98.1Very high107 Ų10739.7 Ų39.747%0.46522%0.218SC..  trans-85.9106.4173.8-173.2172.2177.5-171.50110T139 E140K124-T139 CarbonylContact O-C 3.53Å; K124-T139 VanDerWaalsContact O-CA 3.29Å; K124-T139 WeakPolarHBondContact O-CA 3.46Å; K124-E140 HydrophobicContact CB-CG 4.2Å; K124-E140 PolarHBondContact O-N 3.14Å
125V98.6Very high98.1Very high6 Ų639.9 Ų39.94%0.03622%0.219CC..EExtended strand (participates in β ladder)trans-81139.7179-179.30000110.4L86 G90 V92 L121 E123 Q127 V128 A137 L138L86-V125 HydrophobicContact CD1-CB 3.67Å; L86-V125 HydrophobicContact CD1-CG1 3.62Å; L86-V125 HydrophobicContact CD2-CG1 4.23Å; G90-V125 WeakPolarHBondContact CA-O 3.4Å; G90-V125 WeakPolarHBondContact O-CB 3.39Å; G90-V125 PolarHBondContact O-N 3.03Å; V92-V125 HydrophobicContact CG2-CB 4.05Å; V92-V125 HydrophobicContact CG2-CG1 4Å; V92-V125 HydrophobicContact CG2-CG2 3.83Å; L121-V125 HydrophobicContact CD2-CG2 3.7Å; E123-V125 PolarHBondContact O-N 2.97Å; V125-Q127 WeakPolarHBondContact CG1-O 3.46Å; V125-V128 HydrophobicContact CG1-CG1 3.9Å; V125-A137 HydrophobicContact CG1-CB 3.89Å; V125-A137 HydrophobicContact CG2-CB 3.98Å; V125-L138 CarbonylContact C-O 3.53Å; V125-L138 WeakPolarHBondContact CA-O 3.44Å; V125-L138 WeakPolarHBondContact CG1-O 3.48Å
126V98.4Very high98.1Very high32 Ų3237 Ų3719%0.19420%0.201CC..EExtended strand (participates in β ladder)trans-120.1-15.5179.3-61.20000113.4L138 E140V126-L138 HydrophobicContact CG2-CD2 4.24Å; V126-L138 HydrophobicContact CG2-CG 3.99Å; V126-L138 WeakPolarHBondContact CG2-O 3.39Å; V126-L138 PolarHBondContact N-O 3.2Å; V126-E140 HydrophobicContact CG1-CB 3.86Å
127Q98.8Very high98.1Very high10 Ų1036 Ų365%0.04720%0.195CC..EExtended strand (participates in β ladder)trans-153.4143.1173.4-167.3-174.12000110.3V125 L138 I181V125-Q127 WeakPolarHBondContact CG1-O 3.46Å; Q127-L138 HydrophobicContact CB-CB 4.05Å; Q127-L138 HydrophobicContact CB-CD2 4.12Å; Q127-L138 PolarHBondContact N-O 2.92Å; Q127-L138 PolarHBondContact O-N 2.91Å; Q127-I181 HydrophobicContact CB-CG1 4.48Å; Q127-I181 HydrophobicContact CG-CG1 4.18Å; Q127-I181 PolarHBondContact NE2-O 3.25Å
128V98.9Very high98.1Very high2 Ų235.2 Ų35.21%0.01219%0.188CC..EExtended strand (participates in β ladder)trans-118.6156169.1-65.50000111.4Q75 V77 V84 L86 V92 V125 A136 A137Q75-V128 HydrophobicContact CG-CG2 4.36Å; Q75-V128 PolarHBondContact NE2-O 2.81Å; V77-V128 HydrophobicContact CG2-CG2 3.9Å; V84-V128 HydrophobicContact CG1-CB 3.96Å; V84-V128 HydrophobicContact CG1-CG1 4.04Å; V84-V128 HydrophobicContact CG1-CG2 4.06Å; L86-V128 HydrophobicContact CB-CG1 4.22Å; L86-V128 HydrophobicContact CB-CG2 4.12Å; V92-V128 HydrophobicContact CG1-CG1 4.38Å; V92-V128 HydrophobicContact CG2-CG1 3.93Å; V125-V128 HydrophobicContact CG1-CG1 3.9Å; V128-A136 CarbonylContact C-O 3.58Å; V128-A136 WeakPolarHBondContact CA-O 3.33Å; V128-A137 HydrophobicContact CG1-CB 4.44Å
129S98.9Very high98.1Very high8 Ų830.6 Ų30.66%0.05617%0.167CC..EExtended strand (participates in β ladder)trans-146.5149.6167.870.80000109.9A136 S183S129-A136 PolarHBondContact N-O 2.8Å; S129-A136 PolarHBondContact O-N 2.95Å; S129-S183 PolarHBondContact OG-OG 3.45Å
130A98.9Very high98Very high11 Ų1132.3 Ų32.39%0.09118%0.175CC..EExtended strand (participates in β ladder)trans-136.1145.9-178.800000110.5V77 V84 H134 S183V77-A130 HydrophobicContact CG1-CB 3.92Å; V84-A130 HydrophobicContact CG2-CB 3.92Å; A130-H134 WeakPolarHBondContact CA-O 3.3Å; A130-S183 WeakPolarHBondContact O-CB 3.49Å
131G98.7Very high98Very high3 Ų329.2 Ų29.23%0.03115%0.154CC..  trans-113.2-149.717000000111.7G79 G80 H82 H134 G184G79-G131 CarbonylContact C-O 3.48Å; G79-G131 WeakPolarHBondContact CA-O 3.28Å; G80-G131 PolarHBondContact N-O 2.86Å; H82-G131 PolarHBondContact CE1-O 2.92Å; H82-G131 VanDerWaalsContact CE1-O 3.23Å; G131-H134 PolarHBondContact N-O 2.9Å; G131-G184 WeakPolarHBondContact CA-O 3.39Å
132D98.4Very high98.1Very high51 Ų5128.1 Ų28.127%0.27315%0.149SC..SBendtrans-74.3-41.1179.7-81.33.8000111.7G80 N185G80-D132 WeakPolarHBondContact CA-OD1 3.47Å; D132-N185 HydrophobicContact CB-CB 4.26Å; D132-N185 VanDerWaalsContact CG-CG 3.48Å; D132-N185 PolarHBondContact N-O 2.93Å; D132-N185 VanDerWaalsContact OD1-CG 3.25Å; D132-N185 PolarHBondContact OD1-ND2 2.91Å; D132-N185 VanDerWaalsContact OD1-ND2 3.12Å; D132-N185 WeakPolarHBondContact OD2-CB 3.37Å; D132-N185 PolarHBondContact OD2-ND2 2.85Å
133S98.7Very high98.3Very high14 Ų1421.3 Ų21.310%0.09811%0.114CC..SBendtrans-134.99.8-175.2-66.70000114G148 S149 R151S133-G148 CarbonylContact O-C 3.58Å; S133-G148 VanDerWaalsContact O-CA 3.23Å; S133-G148 WeakPolarHBondContact O-CA 3.45Å; S133-S149 CarbonylContact C-O 3.57Å; S133-S149 VanDerWaalsContact C-O 3.25Å; S133-S149 WeakPolarHBondContact CB-O 3.28Å; S133-S149 PolarHBondContact O-N 3.2Å; S133-R151 PolarHBondContact OG-NE 2.81Å
134H98.9Very high98.4Very high0 Ų018.3 Ų18.30%010%0.1CC..EExtended strand (participates in β ladder)trans-132.9153.9177.174-81.6000113.1A130 G131 C147 F150 L159 S183 G184 N185A130-H134 WeakPolarHBondContact CA-O 3.3Å; G131-H134 PolarHBondContact N-O 2.9Å; H134-C147 VanDerWaalsContact CA-O 3.28Å; H134-C147 WeakPolarHBondContact CA-O 3.37Å; H134-C147 WeakPolarHBondContact CB-O 3.27Å; H134-F150 HydrophobicContact CB-CE1 4.29Å; H134-F150 AromaticContact CD2-CE1 3.85Å; H134-F150 AromaticContact CE1-CE1 3.64Å; H134-F150 AromaticContact CG-CE1 3.59Å; H134-F150 AromaticContact ND1-CD1 3.62Å; H134-F150 AromaticContact ND1-CE1 3.45Å; H134-F150 WeakPolarHBondContact ND1-CE1 3.31Å; H134-F150 AromaticContact NE2-CE1 3.87Å; H134-L159 HydrophobicContact CB-CD1 4.21Å; H134-S183 WeakPolarHBondContact NE2-CB 3.47Å; H134-S183 PolarHBondContact NE2-OG 2.84Å; H134-G184 PolarHBondContact CE1-O 2.86Å; H134-N185 PolarHBondContact ND1-O 2.84Å
135T98.9Very high98.5Very high7 Ų714.9 Ų14.94%0.0439%0.085CC..EExtended strand (participates in β ladder)trans-128138.2171.9-66.30000109.3H82 V84 A102 I146 C147H82-T135 PolarHBondContact NE2-OG1 3.33Å; V84-T135 HydrophobicContact CG1-CG2 4.01Å; V84-T135 HydrophobicContact CG2-CG2 3.72Å; A102-T135 VanDerWaalsContact O-CB 3.29Å; A102-T135 WeakPolarHBondContact O-CB 3.35Å; A102-T135 PolarHBondContact O-OG1 2.82Å; T135-I146 CarbonylContact O-C 3.57Å; T135-I146 VanDerWaalsContact O-CA 3.29Å; T135-I146 WeakPolarHBondContact O-CA 3.36Å; T135-I146 VanDerWaalsContact O-CG1 3.31Å; T135-I146 WeakPolarHBondContact O-CG1 3.37Å; T135-C147 PolarHBondContact N-O 2.88Å; T135-C147 PolarHBondContact O-N 3.24Å
136A98.9Very high98.5Very high1 Ų114.7 Ų14.71%0.0088%0.083CC..EExtended strand (participates in β ladder)trans-127145.4173.300000112.3V128 S129 V144 Y145 I146 I181 I188V128-A136 CarbonylContact C-O 3.58Å; V128-A136 WeakPolarHBondContact CA-O 3.33Å; S129-A136 PolarHBondContact N-O 2.8Å; S129-A136 PolarHBondContact O-N 2.95Å; A136-V144 HydrophobicContact CB-CG1 4.44Å; A136-Y145 CarbonylContact C-O 3.47Å; A136-Y145 VanDerWaalsContact CA-O 3.26Å; A136-Y145 WeakPolarHBondContact CA-O 3.21Å; A136-I146 HydrophobicContact CB-CB 4.38Å; A136-I146 HydrophobicContact CB-CG1 4.13Å; A136-I181 HydrophobicContact CB-CD1 4.04Å; A136-I181 WeakPolarHBondContact O-CD1 3.48Å; A136-I188 HydrophobicContact CB-CD1 3.37Å
137A98.9Very high98.5Very high8 Ų813.4 Ų13.47%0.0668%0.076CC..EExtended strand (participates in β ladder)trans-129.3127.7179.500000110.3L121 V125 V128 V144 Y145L121-A137 HydrophobicContact CD2-CB 4.26Å; V125-A137 HydrophobicContact CG1-CB 3.89Å; V125-A137 HydrophobicContact CG2-CB 3.98Å; V128-A137 HydrophobicContact CG1-CB 4.44Å; A137-V144 WeakPolarHBondContact O-CA 3.4Å; A137-Y145 PolarHBondContact N-O 3.32Å; A137-Y145 PolarHBondContact O-N 2.85Å
138L98.9Very high98.5Very high0 Ų012.9 Ų12.90%07%0.073CC..EExtended strand (participates in β ladder)trans-98.3127.6175173.463.8000109.4V125 V126 Q127 V144 V178 V179 I181V125-L138 CarbonylContact C-O 3.53Å; V125-L138 WeakPolarHBondContact CA-O 3.44Å; V125-L138 WeakPolarHBondContact CG1-O 3.48Å; V126-L138 HydrophobicContact CG2-CD2 4.24Å; V126-L138 HydrophobicContact CG2-CG 3.99Å; V126-L138 WeakPolarHBondContact CG2-O 3.39Å; V126-L138 PolarHBondContact N-O 3.2Å; Q127-L138 HydrophobicContact CB-CB 4.05Å; Q127-L138 HydrophobicContact CB-CD2 4.12Å; Q127-L138 PolarHBondContact N-O 2.92Å; Q127-L138 PolarHBondContact O-N 2.91Å; L138-V144 HydrophobicContact CD1-CG2 3.83Å; L138-V178 HydrophobicContact CD1-CB 3.8Å; L138-V178 HydrophobicContact CD1-CG1 3.9Å; L138-V178 WeakPolarHBondContact CD1-O 3.35Å; L138-V179 WeakPolarHBondContact CD2-O 3.44Å; L138-I181 HydrophobicContact CB-CD1 3.97Å; L138-I181 HydrophobicContact CB-CG1 4.17Å; L138-I181 HydrophobicContact CB-CG2 4.21Å
139T98.5Very high98.5Very high0 Ų012.8 Ų12.80%07%0.073CC..EExtended strand (participates in β ladder)trans-91.7163.1179.656.80000112.3E123 K124 D141 G142 S143 Y145E123-T139 HydrophobicContact CB-CG2 3.52Å; E123-T139 HydrophobicContact CG-CG2 4.06Å; K124-T139 CarbonylContact O-C 3.53Å; K124-T139 VanDerWaalsContact O-CA 3.29Å; K124-T139 WeakPolarHBondContact O-CA 3.46Å; T139-D141 PolarHBondContact O-N 2.81Å; T139-D141 VanDerWaalsContact O-N 3.12Å; T139-D141 PolarHBondContact OG1-OD1 2.87Å; T139-G142 PolarHBondContact O-N 2.87Å; T139-S143 PolarHBondContact N-O 2.86Å; T139-S143 WeakPolarHBondContact OG1-CA 3.47Å; T139-S143 VanDerWaalsContact OG1-CB 3.23Å; T139-S143 WeakPolarHBondContact OG1-CB 3.3Å; T139-S143 PolarHBondContact OG1-N 2.94Å; T139-S143 VanDerWaalsContact OG1-N 3.12Å; T139-S143 PolarHBondContact OG1-O 3.03Å; T139-Y145 HydrophobicContact CG2-CD2 3.85Å; T139-Y145 HydrophobicContact CG2-CE2 3.84Å
140E96.5Very high98.5Very high45 Ų4512.5 Ų12.521%0.217%0.07CC..THydrogen-bonded Turntrans-58.8-23.1178.866.8170.4-170.500113.9K26 V28 V29 K124 V126K26-E140 IonicContact NZ-OE1 3.72Å; K26-E140 PolarHBondContact NZ-OE1 2.95Å; V28-E140 CarbonylContact C-O 3.59Å; V28-E140 VanDerWaalsContact CA-O 3.28Å; V28-E140 WeakPolarHBondContact CA-O 3.45Å; V29-E140 WeakPolarHBondContact CG2-O 3.42Å; V29-E140 PolarHBondContact N-O 3.28Å; K124-E140 HydrophobicContact CB-CG 4.2Å; K124-E140 PolarHBondContact O-N 3.14Å; V126-E140 HydrophobicContact CG1-CB 3.86Å
141D96.4Very high98.3Very high54 Ų5415.6 Ų15.629%0.2898%0.08SC..THydrogen-bonded Turntrans-90.40.3179.278.7-19.1000113.7V27 T139 S143V27-D141 WeakPolarHBondContact O-CA 3.5Å; T139-D141 PolarHBondContact O-N 2.81Å; T139-D141 VanDerWaalsContact O-N 3.12Å; T139-D141 PolarHBondContact OG1-OD1 2.87Å; D141-S143 VanDerWaalsContact OD1-CB 3.23Å; D141-S143 WeakPolarHBondContact OD1-CB 3.5Å; D141-S143 PolarHBondContact OD1-N 2.81Å; D141-S143 PolarHBondContact OD1-OG 2.92Å; D141-S143 PolarHBondContact OD2-OG 3.05Å
142G97.8Very high98Very high4 Ų416.6 Ų16.64%0.0418%0.084CC..SBendtrans84.88.5-178.800000114.8T139 V178T139-G142 PolarHBondContact O-N 2.87Å; G142-V178 WeakPolarHBondContact CA-O 3.5Å; G142-V178 PolarHBondContact O-N 3.28Å
143S98.3Very high97.6Very high16 Ų1620.4 Ų20.411%0.11211%0.105CC..  trans-74.3148.6169-55.70000111.1T139 D141 K171T139-S143 PolarHBondContact N-O 2.86Å; T139-S143 WeakPolarHBondContact OG1-CA 3.47Å; T139-S143 VanDerWaalsContact OG1-CB 3.23Å; T139-S143 WeakPolarHBondContact OG1-CB 3.3Å; T139-S143 PolarHBondContact OG1-N 2.94Å; T139-S143 VanDerWaalsContact OG1-N 3.12Å; T139-S143 PolarHBondContact OG1-O 3.03Å; D141-S143 VanDerWaalsContact OD1-CB 3.23Å; D141-S143 WeakPolarHBondContact OD1-CB 3.5Å; D141-S143 PolarHBondContact OD1-N 2.81Å; D141-S143 PolarHBondContact OD1-OG 2.92Å; D141-S143 PolarHBondContact OD2-OG 3.05Å; S143-K171 WeakPolarHBondContact OG-CE 3.26Å; S143-K171 PolarHBondContact OG-NZ 3.24Å
144V98.8Very high97.1Very high5 Ų524.7 Ų24.73%0.0313%0.127CC..EExtended strand (participates in β ladder)trans-119.8129.7175.5-176.20000109.5A136 A137 L138 I172 V178 I181 L190A136-V144 HydrophobicContact CB-CG1 4.44Å; A137-V144 WeakPolarHBondContact O-CA 3.4Å; L138-V144 HydrophobicContact CD1-CG2 3.83Å; V144-I172 HydrophobicContact CB-CB 4.36Å; V144-I172 HydrophobicContact CB-CD1 4.14Å; V144-I172 HydrophobicContact CB-CG1 4.39Å; V144-I172 HydrophobicContact CG1-CD1 3.66Å; V144-I172 HydrophobicContact CG1-CG1 4.24Å; V144-I172 PolarHBondContact O-N 2.9Å; V144-V178 HydrophobicContact CG2-CB 3.72Å; V144-V178 HydrophobicContact CG2-CG1 3.86Å; V144-V178 HydrophobicContact CG2-CG2 3.71Å; V144-I181 HydrophobicContact CG1-CG2 4.08Å; V144-I181 HydrophobicContact CG2-CG2 3.86Å; V144-L190 HydrophobicContact CG1-CD2 4.18Å; V144-L190 HydrophobicContact CG2-CD2 4.3Å
145Y98.8Very high96.8Very high35 Ų3525.9 Ų25.914%0.13714%0.139CC..EExtended strand (participates in β ladder)trans-108.4144.6170.9-69.4-98.5000109.2L121 E123 A136 A137 T139 P169 V170 K171L121-Y145 HydrophobicContact CD1-CD1 3.79Å; L121-Y145 HydrophobicContact CD1-CD2 4.12Å; L121-Y145 HydrophobicContact CD1-CE1 3.95Å; L121-Y145 HydrophobicContact CD1-CE2 4.26Å; L121-Y145 HydrophobicContact CD1-CG 3.87Å; L121-Y145 HydrophobicContact CD2-CD2 4.47Å; L121-Y145 HydrophobicContact CD2-CG 4.42Å; E123-Y145 HydrophobicContact CG-CE2 3.7Å; E123-Y145 PolarHBondContact OE1-OH 3.29Å; A136-Y145 CarbonylContact C-O 3.47Å; A136-Y145 VanDerWaalsContact CA-O 3.26Å; A136-Y145 WeakPolarHBondContact CA-O 3.21Å; A137-Y145 PolarHBondContact N-O 3.32Å; A137-Y145 PolarHBondContact O-N 2.85Å; T139-Y145 HydrophobicContact CG2-CD2 3.85Å; T139-Y145 HydrophobicContact CG2-CE2 3.84Å; Y145-P169 HydrophobicContact CD1-CB 4.44Å; Y145-V170 CarbonylContact C-O 3.6Å; Y145-V170 WeakPolarHBondContact CA-O 3.29Å; Y145-K171 HydrophobicContact CD1-CB 3.99Å; Y145-K171 HydrophobicContact CE1-CB 3.71Å; Y145-K171 HydrophobicContact CE1-CG 4.32Å
146I98.9Very high96.7Very high2 Ų226.9 Ų26.91%0.0115%0.145CC..EExtended strand (participates in β ladder)trans-140.7144.6-178.8-166.4173.2000110.3T135 A136 F150 L159 L160 V170 I172 I188T135-I146 CarbonylContact O-C 3.57Å; T135-I146 VanDerWaalsContact O-CA 3.29Å; T135-I146 WeakPolarHBondContact O-CA 3.36Å; T135-I146 VanDerWaalsContact O-CG1 3.31Å; T135-I146 WeakPolarHBondContact O-CG1 3.37Å; A136-I146 HydrophobicContact CB-CB 4.38Å; A136-I146 HydrophobicContact CB-CG1 4.13Å; I146-F150 HydrophobicContact CD1-CE2 4.4Å; I146-F150 HydrophobicContact CD1-CZ 3.8Å; I146-L159 HydrophobicContact CB-CD2 4.45Å; I146-L159 HydrophobicContact CD1-CD1 3.74Å; I146-L159 HydrophobicContact CD1-CG 4.38Å; I146-L159 HydrophobicContact CG1-CD1 3.97Å; I146-L159 HydrophobicContact CG1-CD2 4.19Å; I146-L159 HydrophobicContact CG1-CG 4.41Å; I146-L159 HydrophobicContact CG2-CD2 3.86Å; I146-L159 HydrophobicContact CG2-CG 4.22Å; I146-L160 HydrophobicContact CG2-CD1 4.44Å; I146-L160 HydrophobicContact CG2-CD2 4.41Å; I146-L160 HydrophobicContact CG2-CG 4.44Å; I146-V170 HydrophobicContact CG2-CG2 4.17Å; I146-V170 PolarHBondContact N-O 2.87Å; I146-V170 WeakPolarHBondContact O-CG2 3.33Å; I146-V170 PolarHBondContact O-N 2.82Å; I146-I172 HydrophobicContact CB-CD1 4.13Å; I146-I172 HydrophobicContact CB-CG1 4.17Å; I146-I172 HydrophobicContact CD1-CD1 4.44Å; I146-I172 HydrophobicContact CG2-CD1 3.93Å; I146-I172 HydrophobicContact CG2-CG1 3.56Å; I146-I188 HydrophobicContact CD1-CD1 4.17Å; I146-I188 HydrophobicContact CD1-CG2 4.43Å
147C98.8Very high96.5Very high5 Ų527 Ų273%0.03415%0.145CC..EExtended strand (participates in β ladder)trans-137.8169.9172.258.40000110.4G104 H134 T135 C166G104-C147 WeakPolarHBondContact CA-SG 3.32Å; H134-C147 VanDerWaalsContact CA-O 3.28Å; H134-C147 WeakPolarHBondContact CA-O 3.37Å; H134-C147 WeakPolarHBondContact CB-O 3.27Å; T135-C147 PolarHBondContact N-O 2.88Å; T135-C147 PolarHBondContact O-N 3.24Å; C147-C166 CarbonylContact C-O 3.48Å; C147-C166 WeakPolarHBondContact CA-O 3.15Å; C147-C166 WeakPolarHBondContact CB-O 3.36Å
148G98.7Very high96.4Very high0 Ų026.6 Ų26.60%014%0.142CC..EExtended strand (participates in β ladder)trans95.4-143.8-176.200000113.3E100 G101 S133 C166E100-G148 CarbonylContact O-C 3.56Å; E100-G148 WeakPolarHBondContact O-CA 3.38Å; G101-G148 PolarHBondContact O-N 2.86Å; S133-G148 CarbonylContact O-C 3.58Å; S133-G148 VanDerWaalsContact O-CA 3.23Å; S133-G148 WeakPolarHBondContact O-CA 3.45Å; G148-C166 PolarHBondContact N-O 3.18Å; G148-C166 PolarHBondContact O-N 2.88Å
149S98.6Very high96.4Very high0 Ų026.6 Ų26.60%014%0.142CC..  trans-150.5158.6175.9780000111.8E100 S133E100-S149 WeakPolarHBondContact OE2-CB 3.39Å; E100-S149 PolarHBondContact OE2-OG 3.23Å; S133-S149 CarbonylContact C-O 3.57Å; S133-S149 VanDerWaalsContact C-O 3.25Å; S133-S149 WeakPolarHBondContact CB-O 3.28Å; S133-S149 PolarHBondContact O-N 3.2Å
150F98.3Very high96.3Very high1 Ų127.8 Ų27.80%0.00415%0.148CC..EExtended strand (participates in β ladder)trans-96151.2163.4-59.8-61.9000110.1H134 I146 I157 G158 L159 D186 I188 G201 L228H134-F150 HydrophobicContact CB-CE1 4.29Å; H134-F150 AromaticContact CD2-CE1 3.85Å; H134-F150 AromaticContact CE1-CE1 3.64Å; H134-F150 AromaticContact CG-CE1 3.59Å; H134-F150 AromaticContact ND1-CD1 3.62Å; H134-F150 AromaticContact ND1-CE1 3.45Å; H134-F150 WeakPolarHBondContact ND1-CE1 3.31Å; H134-F150 AromaticContact NE2-CE1 3.87Å; I146-F150 HydrophobicContact CD1-CE2 4.4Å; I146-F150 HydrophobicContact CD1-CZ 3.8Å; F150-I157 HydrophobicContact CB-CD1 3.93Å; F150-I157 HydrophobicContact CB-CG1 3.79Å; F150-I157 VanDerWaalsContact O-CG1 3.23Å; F150-I157 WeakPolarHBondContact O-CG1 3.41Å; F150-I157 PolarHBondContact O-N 2.72Å; F150-G158 WeakPolarHBondContact CB-O 3.24Å; F150-G158 PolarHBondContact N-O 3.32Å; F150-L159 HydrophobicContact CD2-CD1 4.03Å; F150-L159 HydrophobicContact CE2-CD1 3.83Å; F150-L159 HydrophobicContact CZ-CD1 4.17Å; F150-D186 VanDerWaalsContact CD1-C 3.48Å; F150-D186 VanDerWaalsContact CD1-O 3.29Å; F150-D186 WeakPolarHBondContact CD1-O 3.42Å; F150-I188 HydrophobicContact CE1-CG2 4.49Å; F150-I188 HydrophobicContact CZ-CB 4.32Å; F150-I188 HydrophobicContact CZ-CG2 3.78Å; F150-G201 VanDerWaalsContact CD2-CA 3.46Å; F150-L228 HydrophobicContact CD2-CD2 3.86Å
151R95.8Very high96.3Very high76 Ų7630.5 Ų30.529%0.28716%0.161SC..EExtended strand (participates in β ladder)trans-121.1155.4175-60173.7175.3-94.35.9111.7E100 S133 G155 V156 D186 S202E100-R151 IonicContact OE1-CZ 3.45Å; E100-R151 IonicContact OE1-NH1 2.65Å; E100-R151 IonicContact OE1-NH2 2.82Å; E100-R151 PolarHBondContact OE1-NH2 2.83Å; S133-R151 PolarHBondContact OG-NE 2.81Å; R151-G155 WeakPolarHBondContact CA-O 3.49Å; R151-V156 HydrophobicContact CG-CG2 4.24Å; R151-D186 WeakPolarHBondContact CA-OD1 3.34Å; R151-D186 WeakPolarHBondContact CB-OD1 3.21Å; R151-D186 PolarHBondContact N-OD1 2.91Å; R151-D186 WeakPolarHBondContact O-CB 3.5Å; R151-D186 VanDerWaalsContact O-CG 3.27Å; R151-S202 VanDerWaalsContact O-CB 3.31Å; R151-S202 WeakPolarHBondContact O-CB 3.49Å
152D92.2Very high96.2Very high24 Ų2431 Ų3113%0.12817%0.167CC..EExtended strand (participates in β ladder)trans-120.7178.316674.86.1000108.9N154 G155 I157 E204 R221D152-N154 PolarHBondContact O-N 2.89Å; D152-N154 VanDerWaalsContact OD1-C 3.3Å; D152-N154 VanDerWaalsContact OD1-CA 3.25Å; D152-N154 WeakPolarHBondContact OD1-CA 3.24Å; D152-N154 VanDerWaalsContact OD1-CB 3.31Å; D152-N154 WeakPolarHBondContact OD1-CB 3.42Å; D152-N154 PolarHBondContact OD1-N 3.27Å; D152-G155 PolarHBondContact N-O 2.9Å; D152-G155 PolarHBondContact O-N 2.84Å; D152-G155 PolarHBondContact OD1-N 2.92Å; D152-G155 VanDerWaalsContact OD1-N 3.12Å; D152-G155 VanDerWaalsContact OD1-O 3.09Å; D152-I157 HydrophobicContact CB-CG2 3.78Å; D152-I157 WeakPolarHBondContact OD2-CG2 3.5Å; D152-E204 HydrophobicContact CB-CG 4.16Å; D152-R221 IonicContact OD1-CZ 3.73Å; D152-R221 IonicContact OD1-NE 3.72Å; D152-R221 IonicContact OD1-NH2 2.86Å; D152-R221 PolarHBondContact OD1-NH2 3.48Å; D152-R221 IonicContact OD2-NE 3.29Å; D152-R221 PolarHBondContact OD2-NE 2.67Å; D152-R221 IonicContact OD2-NH2 3.83Å
153N89.8Confident96Very high132 Ų13236.1 Ų36.171%0.70619%0.191SC*.THydrogen-bonded Turntrans-59.8-13.7178.9-73.2-34.5000113.7E204N153-E204 VanDerWaalsContact CB-OE2 3.28Å; N153-E204 WeakPolarHBondContact CB-OE2 3.44Å; N153-E204 PolarHBondContact N-OE2 3.43Å; N153-E204 PolarHBondContact ND2-OE2 3.46Å
154N89.4Confident95.9Very high104 Ų10440.1 Ų40.156%0.55621%0.207SC*.THydrogen-bonded Turntrans-102.65.1177.8-52.9-70.9000112.4D152 R221D152-N154 PolarHBondContact O-N 2.89Å; D152-N154 VanDerWaalsContact OD1-C 3.3Å; D152-N154 VanDerWaalsContact OD1-CA 3.25Å; D152-N154 WeakPolarHBondContact OD1-CA 3.24Å; D152-N154 VanDerWaalsContact OD1-CB 3.31Å; D152-N154 WeakPolarHBondContact OD1-CB 3.42Å; D152-N154 PolarHBondContact OD1-N 3.27Å; N154-R221 PolarHBondContact O-NH2 3.08Å
155G92.3Very high95.9Very high24 Ų2442.6 Ų42.625%0.24722%0.222CC..EExtended strand (participates in β ladder)trans109.3-156.7178.700000114.6R151 D152 I157 R221R151-G155 WeakPolarHBondContact CA-O 3.49Å; D152-G155 PolarHBondContact N-O 2.9Å; D152-G155 PolarHBondContact O-N 2.84Å; D152-G155 PolarHBondContact OD1-N 2.92Å; D152-G155 VanDerWaalsContact OD1-N 3.12Å; D152-G155 VanDerWaalsContact OD1-O 3.09Å; G155-I157 PolarHBondContact O-N 2.91Å; G155-R221 PolarHBondContact O-NH2 3.34Å
156V95.8Very high95.8Very high29 Ų2941.6 Ų41.618%0.17622%0.22CC..EExtended strand (participates in β ladder)trans-64.9129.9-173.2-178.90000111.5E100 R151 M163 T165 R221E100-V156 WeakPolarHBondContact OE1-CG2 3.49Å; E100-V156 VanDerWaalsContact OE2-CG2 3.3Å; E100-V156 WeakPolarHBondContact OE2-CG2 3.37Å; R151-V156 HydrophobicContact CG-CG2 4.24Å; V156-M163 VanDerWaalsContact O-CE 3.28Å; V156-M163 WeakPolarHBondContact O-CE 3.32Å; V156-M163 VanDerWaalsContact O-SD 3.42Å; V156-T165 HydrophobicContact CG1-CG2 3.98Å; V156-R221 PolarHBondContact O-NH1 2.96Å
157I95.4Very high95.8Very high2 Ų244.9 Ų44.91%0.0124%0.241CC..EExtended strand (participates in β ladder)trans-105.3-9.4174.858.5167.3000113.2F150 D152 G155 M163 L224 L228F150-I157 HydrophobicContact CB-CD1 3.93Å; F150-I157 HydrophobicContact CB-CG1 3.79Å; F150-I157 VanDerWaalsContact O-CG1 3.23Å; F150-I157 WeakPolarHBondContact O-CG1 3.41Å; F150-I157 PolarHBondContact O-N 2.72Å; D152-I157 HydrophobicContact CB-CG2 3.78Å; D152-I157 WeakPolarHBondContact OD2-CG2 3.5Å; G155-I157 PolarHBondContact O-N 2.91Å; I157-M163 PolarHBondContact O-N 2.85Å; I157-L224 HydrophobicContact CB-CD1 4.09Å; I157-L224 HydrophobicContact CB-CD2 3.91Å; I157-L224 HydrophobicContact CD1-CD2 4.33Å; I157-L224 HydrophobicContact CG2-CD1 4.37Å; I157-L224 HydrophobicContact CG2-CD2 4Å; I157-L228 HydrophobicContact CD1-CD2 3.91Å; I157-L228 HydrophobicContact CG1-CD2 4.1Å; I157-L228 WeakPolarHBondContact O-CD1 3.29Å
158G96.8Very high95.7Very high0 Ų048.8 Ų48.80%027%0.265CS..EExtended strand (participates in β ladder)trans100.9-172.3-176.300000112.5F150 K164F150-G158 WeakPolarHBondContact CB-O 3.24Å; F150-G158 PolarHBondContact N-O 3.32Å; G158-K164 CarbonylContact C-O 3.56Å; G158-K164 VanDerWaalsContact CA-O 3.31Å; G158-K164 WeakPolarHBondContact CA-O 3.31Å
159L97.9Very high95.7Very high0 Ų050.2 Ų50.20%027%0.274CS..SBendtrans-114.3-70.1-177.9-167.768.5000113.2H134 I146 F150 K164 C166 V170 L228H134-L159 HydrophobicContact CB-CD1 4.21Å; I146-L159 HydrophobicContact CB-CD2 4.45Å; I146-L159 HydrophobicContact CD1-CD1 3.74Å; I146-L159 HydrophobicContact CD1-CG 4.38Å; I146-L159 HydrophobicContact CG1-CD1 3.97Å; I146-L159 HydrophobicContact CG1-CD2 4.19Å; I146-L159 HydrophobicContact CG1-CG 4.41Å; I146-L159 HydrophobicContact CG2-CD2 3.86Å; I146-L159 HydrophobicContact CG2-CG 4.22Å; F150-L159 HydrophobicContact CD2-CD1 4.03Å; F150-L159 HydrophobicContact CE2-CD1 3.83Å; F150-L159 HydrophobicContact CZ-CD1 4.17Å; L159-K164 PolarHBondContact N-O 3.3Å; L159-C166 HydrophobicContact CD2-CB 3.62Å; L159-V170 HydrophobicContact CD2-CG2 4.19Å; L159-L228 WeakPolarHBondContact O-CB 3.21Å
160L97.2Very high95.7Very high26 Ų2652.2 Ų52.214%0.13629%0.286CS..SBendtrans-109.3-23.2173.2-62.7180000111.9I146 V170 I172 I229I146-L160 HydrophobicContact CG2-CD1 4.44Å; I146-L160 HydrophobicContact CG2-CD2 4.41Å; I146-L160 HydrophobicContact CG2-CG 4.44Å; L160-V170 HydrophobicContact CD1-CB 4.48Å; L160-V170 HydrophobicContact CD1-CG2 3.71Å; L160-V170 HydrophobicContact CG-CG2 4.43Å; L160-I172 HydrophobicContact CD2-CG1 4.46Å; L160-I229 VanDerWaalsContact O-CD1 3.3Å; L160-I229 WeakPolarHBondContact O-CD1 3.4Å
161E95.6Very high95.7Very high101 Ų10157 Ų5747%0.47231%0.307SS..BIsolated β-bridgetrans-118.1140.6175.7-67.8176.9-10900109.1M163 K164E161-M163 PolarHBondContact O-N 2.81Å; E161-K164 HydrophobicContact CB-CB 4.07Å; E161-K164 HydrophobicContact CB-CD 4.14Å; E161-K164 PolarHBondContact O-N 2.82Å; E161-K164 IonicContact OE1-NZ 3.32Å; E161-K164 PolarHBondContact OE1-NZ 2.98Å; E161-K164 IonicContact OE2-NZ 3.39Å
162P95.1Very high95.8Very high66 Ų6653.7 Ų53.743%0.42930%0.295SS..BIsolated β-bridgetrans-55134.3178.3-26.835.6000112.7K164 L224 L228P162-K164 PolarHBondContact O-N 3.31Å; P162-K164 VanDerWaalsContact O-N 3.15Å; P162-L224 HydrophobicContact CB-CB 3.99Å; P162-L224 HydrophobicContact CB-CD1 4.13Å; P162-L224 HydrophobicContact CG-CB 3.92Å; P162-L228 HydrophobicContact CB-CD1 4.35Å; P162-L228 HydrophobicContact CG-CD1 4.18Å
163M94.2Very high96Very high110 Ų11056.6 Ų56.654%0.54232%0.315SS..THydrogen-bonded Turntrans61.215.7176.2-52.5-56.8-54.500115.2V156 I157 E161 L224V156-M163 VanDerWaalsContact O-CE 3.28Å; V156-M163 WeakPolarHBondContact O-CE 3.32Å; V156-M163 VanDerWaalsContact O-SD 3.42Å; I157-M163 PolarHBondContact O-N 2.85Å; E161-M163 PolarHBondContact O-N 2.81Å; M163-L224 HydrophobicContact SD-CD1 4.39Å
164K96.8Very high96.3Very high101 Ų10152.2 Ų52.244%0.43929%0.291SS..BIsolated β-bridgetrans-119.8116.5-179.2-173.6178.3174.1-170.20110.7G158 L159 E161 P162G158-K164 CarbonylContact C-O 3.56Å; G158-K164 VanDerWaalsContact CA-O 3.31Å; G158-K164 WeakPolarHBondContact CA-O 3.31Å; L159-K164 PolarHBondContact N-O 3.3Å; E161-K164 HydrophobicContact CB-CB 4.07Å; E161-K164 HydrophobicContact CB-CD 4.14Å; E161-K164 PolarHBondContact O-N 2.82Å; E161-K164 IonicContact OE1-NZ 3.32Å; E161-K164 PolarHBondContact OE1-NZ 2.98Å; E161-K164 IonicContact OE2-NZ 3.39Å; P162-K164 PolarHBondContact O-N 3.31Å; P162-K164 VanDerWaalsContact O-N 3.15Å
165T97.1Very high96.4Very high57 Ų5754 Ų5435%0.3531%0.307SS..  trans-77.3159.9170.667.90000109.9E100 V156E100-T165 VanDerWaalsContact OE2-CG2 3.28Å; E100-T165 WeakPolarHBondContact OE2-CG2 3.33Å; V156-T165 HydrophobicContact CG1-CG2 3.98Å
166C97.8Very high96.5Very high14 Ų1455.2 Ų55.210%0.09531%0.306CS..EExtended strand (participates in β ladder)trans-130.598.3176.5-65.30000109.6C147 G148 L159 V168 V170C147-C166 CarbonylContact C-O 3.48Å; C147-C166 WeakPolarHBondContact CA-O 3.15Å; C147-C166 WeakPolarHBondContact CB-O 3.36Å; G148-C166 PolarHBondContact N-O 3.18Å; G148-C166 PolarHBondContact O-N 2.88Å; L159-C166 HydrophobicContact CD2-CB 3.62Å; C166-V168 PolarHBondContact O-N 3.4Å; C166-V170 HydrophobicContact CB-CG1 4.29Å; C166-V170 HydrophobicContact CB-CG2 4.03Å
167P97.6Very high96.6Very high70 Ų7055.9 Ų55.946%0.45531%0.311SS..EExtended strand (participates in β ladder)trans-75.3-3.7-177.432-36.6000114.2G104 R105G104-P167 CarbonylContact C-O 3.55Å; G104-P167 VanDerWaalsContact C-O 3.26Å; G104-P167 WeakPolarHBondContact CA-O 3.39Å; R105-P167 PolarHBondContact N-O 2.87Å
168V97.9Very high96.8Very high87 Ų8755.9 Ų55.953%0.52731%0.311SS..EExtended strand (participates in β ladder)trans-124.7150.3175.4-64.90000109.5C166 V170C166-V168 PolarHBondContact O-N 3.4Å; V168-V170 PolarHBondContact O-N 2.9Å
169P98.6Very high96.8Very high30 Ų3056.3 Ų56.320%0.19531%0.313CS..EExtended strand (participates in β ladder)trans-57.5122.9178.1-24.933.9000111.9G104 V119 L121 Y145G104-P169 WeakPolarHBondContact O-CD 3.34Å; V119-P169 HydrophobicContact CG1-CG 3.51Å; L121-P169 HydrophobicContact CD1-CB 4.41Å; Y145-P169 HydrophobicContact CD1-CB 4.44Å
170V98.5Very high96.9Very high43 Ų4357.1 Ų57.126%0.26132%0.317SS..EExtended strand (participates in β ladder)trans-114.6139.5173.8-66.50000110.2Y145 I146 L159 L160 C166 V168 I172Y145-V170 CarbonylContact C-O 3.6Å; Y145-V170 WeakPolarHBondContact CA-O 3.29Å; I146-V170 HydrophobicContact CG2-CG2 4.17Å; I146-V170 PolarHBondContact N-O 2.87Å; I146-V170 WeakPolarHBondContact O-CG2 3.33Å; I146-V170 PolarHBondContact O-N 2.82Å; L159-V170 HydrophobicContact CD2-CG2 4.19Å; L160-V170 HydrophobicContact CD1-CB 4.48Å; L160-V170 HydrophobicContact CD1-CG2 3.71Å; L160-V170 HydrophobicContact CG-CG2 4.43Å; C166-V170 HydrophobicContact CB-CG1 4.29Å; C166-V170 HydrophobicContact CB-CG2 4.03Å; V168-V170 PolarHBondContact O-N 2.9Å; V170-I172 PolarHBondContact O-N 2.81Å
171K98.3Very high97Very high102 Ų10256 Ų5644%0.44331%0.311SS..EExtended strand (participates in β ladder)trans-71.8129179.9-172.4168.7-177.1153.70110.6S143 Y145S143-K171 WeakPolarHBondContact OG-CE 3.26Å; S143-K171 PolarHBondContact OG-NZ 3.24Å; Y145-K171 HydrophobicContact CD1-CB 3.99Å; Y145-K171 HydrophobicContact CE1-CB 3.71Å; Y145-K171 HydrophobicContact CE1-CG 4.32Å
172I98.1Very high97.1Very high6 Ų651.8 Ų51.83%0.03129%0.294CS..  trans-68.6129.7172.1-65.9-169.9000109.4V144 I146 L160 V170 L174 L190 P230V144-I172 HydrophobicContact CB-CB 4.36Å; V144-I172 HydrophobicContact CB-CD1 4.14Å; V144-I172 HydrophobicContact CB-CG1 4.39Å; V144-I172 HydrophobicContact CG1-CD1 3.66Å; V144-I172 HydrophobicContact CG1-CG1 4.24Å; V144-I172 PolarHBondContact O-N 2.9Å; I146-I172 HydrophobicContact CB-CD1 4.13Å; I146-I172 HydrophobicContact CB-CG1 4.17Å; I146-I172 HydrophobicContact CD1-CD1 4.44Å; I146-I172 HydrophobicContact CG2-CD1 3.93Å; I146-I172 HydrophobicContact CG2-CG1 3.56Å; L160-I172 HydrophobicContact CD2-CG1 4.46Å; V170-I172 PolarHBondContact O-N 2.81Å; I172-L174 VanDerWaalsContact C-N 3.3Å; I172-L174 HydrophobicContact CG2-CB 4.34Å; I172-L174 PolarHBondContact O-N 2.86Å; I172-L190 HydrophobicContact CD1-CD1 4.2Å; I172-L190 HydrophobicContact CD1-CD2 4.45Å; I172-L190 HydrophobicContact CG2-CD1 4.22Å; I172-P230 HydrophobicContact CG2-CG 3.54Å
173P95.7Very high97.3Very high84 Ų8449.7 Ų49.755%0.54528%0.28SS..  trans-78.575.9-17932.8-36.1000111.5I229P173-I229 HydrophobicContact CG-CD1 4.47Å
174L95.7Very high97.5Very high40 Ų4044.7 Ų44.721%0.20926%0.257CS..  trans-122.7135.3175.1-165.169.9000110.6I172 V178 L190 T192 F198I172-L174 VanDerWaalsContact C-N 3.3Å; I172-L174 HydrophobicContact CG2-CB 4.34Å; I172-L174 PolarHBondContact O-N 2.86Å; L174-V178 HydrophobicContact CD2-CG2 3.63Å; L174-L190 HydrophobicContact CD2-CD1 4.26Å; L174-T192 HydrophobicContact CD2-CG2 4.2Å; L174-F198 HydrophobicContact CD1-CD1 3.67Å; L174-F198 HydrophobicContact CD1-CD2 4.41Å; L174-F198 HydrophobicContact CD1-CE1 3.54Å; L174-F198 HydrophobicContact CD1-CE2 4.29Å; L174-F198 HydrophobicContact CD1-CG 4.13Å; L174-F198 HydrophobicContact CD1-CZ 3.88Å; L174-F198 HydrophobicContact CD2-CD2 4.44Å
175T92.6Very high97.6Very high143 Ų14341 Ų4188%0.87724%0.242SC*.SBendtrans-88.6-23.3-178.952.70000113.4
176E94.9Very high97.7Very high49 Ų4939 Ų3923%0.22923%0.229CC..SBendtrans-87.1131.8-179.7-66.3-178.6-155.600110.4V178 T192 N196E176-V178 PolarHBondContact O-N 2.82Å; E176-T192 HydrophobicContact CB-CG2 3.84Å; E176-T192 WeakPolarHBondContact OE2-CB 3.44Å; E176-T192 WeakPolarHBondContact OE2-CG2 3.18Å; E176-T192 PolarHBondContact OE2-OG1 2.77Å; E176-N196 VanDerWaalsContact CD-ND2 3.33Å; E176-N196 PolarHBondContact OE1-ND2 2.85Å; E176-N196 PolarHBondContact OE2-ND2 2.94Å
177P97.1Very high97.7Very high43 Ų4338.3 Ų38.328%0.27922%0.224SC..PPolyproline II helixtrans-60.4127.2174.7-23.433.6000111.9V29 T192 L193V29-P177 HydrophobicContact CG1-CB 4.05Å; P177-T192 CarbonylContact O-C 3.57Å; P177-T192 VanDerWaalsContact O-CA 3.31Å; P177-T192 WeakPolarHBondContact O-CA 3.35Å; P177-T192 WeakPolarHBondContact O-CB 3.42Å; P177-L193 PolarHBondContact O-N 2.88Å
178V98.6Very high97.8Very high2 Ų235 Ų351%0.01220%0.203CC..EExtended strand (participates in β ladder)trans-85.4139176179.10000109.6V29 L138 G142 V144 L174 E176 K180 I181 L190 L191V29-V178 WeakPolarHBondContact CG1-O 3.37Å; L138-V178 HydrophobicContact CD1-CB 3.8Å; L138-V178 HydrophobicContact CD1-CG1 3.9Å; L138-V178 WeakPolarHBondContact CD1-O 3.35Å; G142-V178 WeakPolarHBondContact CA-O 3.5Å; G142-V178 PolarHBondContact O-N 3.28Å; V144-V178 HydrophobicContact CG2-CB 3.72Å; V144-V178 HydrophobicContact CG2-CG1 3.86Å; V144-V178 HydrophobicContact CG2-CG2 3.71Å; L174-V178 HydrophobicContact CD2-CG2 3.63Å; E176-V178 PolarHBondContact O-N 2.82Å; V178-K180 VanDerWaalsContact CG1-O 3.31Å; V178-K180 WeakPolarHBondContact CG1-O 3.37Å; V178-I181 HydrophobicContact CG1-CG2 3.87Å; V178-L190 HydrophobicContact CG1-CB 4.25Å; V178-L190 HydrophobicContact CG2-CB 4.16Å; V178-L191 WeakPolarHBondContact CG1-O 3.39Å
179V98.6Very high97.8Very high9 Ų930.9 Ų30.96%0.05518%0.178CC..EExtended strand (participates in β ladder)trans-110.6-23.6176.3-62.60000112.8V29 H31 H34 L138 L191 L193V29-V179 HydrophobicContact CB-CG1 4.21Å; V29-V179 HydrophobicContact CG1-CG1 4.28Å; H31-V179 HydrophobicContact CB-CB 4.35Å; H31-V179 VanDerWaalsContact CB-O 3.3Å; H31-V179 WeakPolarHBondContact CB-O 3.21Å; H34-V179 PolarHBondContact CE1-O 3.38Å; H34-V179 PolarHBondContact NE2-O 2.84Å; L138-V179 WeakPolarHBondContact CD2-O 3.44Å; V179-L191 HydrophobicContact CG2-CD2 4.28Å; V179-L191 HydrophobicContact CG2-CG 4.05Å; V179-L191 WeakPolarHBondContact CG2-O 3.4Å; V179-L191 PolarHBondContact N-O 2.94Å; V179-L193 HydrophobicContact CG1-CB 3.86Å; V179-L193 HydrophobicContact CG1-CD1 3.66Å; V179-L193 HydrophobicContact CG1-CG 4.38Å
180K98.8Very high97.8Very high16 Ų1629.4 Ų29.47%0.0717%0.169CC..EExtended strand (participates in β ladder)trans-145.2138.5175.7-171-176.2-172.3-171.60111V178 L191 D243 A244 F245V178-K180 VanDerWaalsContact CG1-O 3.31Å; V178-K180 WeakPolarHBondContact CG1-O 3.37Å; K180-L191 HydrophobicContact CB-CB 4.15Å; K180-L191 HydrophobicContact CB-CD2 4.34Å; K180-L191 PolarHBondContact N-O 3.43Å; K180-L191 PolarHBondContact O-N 2.79Å; K180-D243 WeakPolarHBondContact CD-OD1 3.48Å; K180-D243 WeakPolarHBondContact CE-OD1 3.33Å; K180-D243 IonicContact NZ-OD1 3.33Å; K180-D243 PolarHBondContact NZ-OD1 3Å; K180-D243 IonicContact NZ-OD2 3.66Å; K180-A244 WeakPolarHBondContact CE-O 3.31Å; K180-A244 PolarHBondContact NZ-O 2.91Å; K180-F245 VanDerWaalsContact NZ-CE1 3.3Å
181I98.9Very high97.9Very high3 Ų327.5 Ų27.52%0.01516%0.157CC..EExtended strand (participates in β ladder)trans-112.2145.5166.260.1174.2000110.4Q127 A136 L138 V144 V178 V189 L190Q127-I181 HydrophobicContact CB-CG1 4.48Å; Q127-I181 HydrophobicContact CG-CG1 4.18Å; Q127-I181 PolarHBondContact NE2-O 3.25Å; A136-I181 HydrophobicContact CB-CD1 4.04Å; A136-I181 WeakPolarHBondContact O-CD1 3.48Å; L138-I181 HydrophobicContact CB-CD1 3.97Å; L138-I181 HydrophobicContact CB-CG1 4.17Å; L138-I181 HydrophobicContact CB-CG2 4.21Å; V144-I181 HydrophobicContact CG1-CG2 4.08Å; V144-I181 HydrophobicContact CG2-CG2 3.86Å; V178-I181 HydrophobicContact CG1-CG2 3.87Å; I181-V189 WeakPolarHBondContact CA-O 3.32Å; I181-L190 HydrophobicContact CB-CD2 4.46Å; I181-L190 HydrophobicContact CG2-CD2 3.65Å
182A98.9Very high97.9Very high13 Ų1322.8 Ų22.811%0.10714%0.136CC..EExtended strand (participates in β ladder)trans-143.3139.2171.800000109.2I188 V189 C246A182-I188 WeakPolarHBondContact O-CA 3.35Å; A182-V189 HydrophobicContact CB-CB 4.49Å; A182-V189 PolarHBondContact N-O 2.92Å; A182-V189 PolarHBondContact O-N 2.84Å; A182-C246 HydrophobicContact CB-CB 4.41Å
183S98.9Very high97.7Very high21 Ų2127.4 Ų27.415%0.14716%0.161CC..EExtended strand (participates in β ladder)trans-120.8135.9179.8-70.40000109.7S129 A130 H134 H187 C246S129-S183 PolarHBondContact OG-OG 3.45Å; A130-S183 WeakPolarHBondContact O-CB 3.49Å; H134-S183 WeakPolarHBondContact NE2-CB 3.47Å; H134-S183 PolarHBondContact NE2-OG 2.84Å; S183-H187 WeakPolarHBondContact CA-O 3.44Å; S183-C246 VanDerWaalsContact O-CB 3.31Å; S183-C246 WeakPolarHBondContact O-CB 3.36Å
184G98.8Very high97.7Very high5 Ų527.8 Ų27.85%0.05216%0.158CC..  trans-93.8-158.4155.200000109.7G131 H134 H187 G247G131-G184 WeakPolarHBondContact CA-O 3.39Å; H134-G184 PolarHBondContact CE1-O 2.86Å; G184-H187 PolarHBondContact N-O 2.72Å; G184-G247 WeakPolarHBondContact CA-O 3.47Å
185N98.6Very high97.7Very high23 Ų2326 Ų2612%0.12315%0.15CC..SBendtrans-61.3-55.4-177.4-74.536000111.5D132 H134 A248 Y249D132-N185 HydrophobicContact CB-CB 4.26Å; D132-N185 VanDerWaalsContact CG-CG 3.48Å; D132-N185 PolarHBondContact N-O 2.93Å; D132-N185 VanDerWaalsContact OD1-CG 3.25Å; D132-N185 PolarHBondContact OD1-ND2 2.91Å; D132-N185 VanDerWaalsContact OD1-ND2 3.12Å; D132-N185 WeakPolarHBondContact OD2-CB 3.37Å; D132-N185 PolarHBondContact OD2-ND2 2.85Å; H134-N185 PolarHBondContact ND1-O 2.84Å; N185-A248 PolarHBondContact N-O 3.18Å; N185-A248 WeakPolarHBondContact OD1-CA 3.42Å; N185-A248 WeakPolarHBondContact OD1-CB 3.4Å; N185-Y249 HydrophobicContact CB-CD1 4.43Å; N185-Y249 HydrophobicContact CB-CE1 3.92Å
186D98.4Very high97.9Very high15 Ų1519.8 Ų19.88%0.0811%0.111CC..SBendtrans-128.826.1-175.4-67.2-70.8000113.1F150 R151 G201 S202F150-D186 VanDerWaalsContact CD1-C 3.48Å; F150-D186 VanDerWaalsContact CD1-O 3.29Å; F150-D186 WeakPolarHBondContact CD1-O 3.42Å; R151-D186 WeakPolarHBondContact CA-OD1 3.34Å; R151-D186 WeakPolarHBondContact CB-OD1 3.21Å; R151-D186 PolarHBondContact N-OD1 2.91Å; R151-D186 WeakPolarHBondContact O-CB 3.5Å; R151-D186 VanDerWaalsContact O-CG 3.27Å; D186-G201 CarbonylContact O-C 3.54Å; D186-G201 WeakPolarHBondContact O-CA 3.27Å; D186-S202 WeakPolarHBondContact O-CB 3.35Å; D186-S202 PolarHBondContact O-N 2.76Å
187H98.8Very high98.1Very high0 Ų017.5 Ų17.50%010%0.1CC..EExtended strand (participates in β ladder)trans-143.2153.9174.273.7-66.6000111.3S183 G184 S200 Q207 L208 C246 T251S183-H187 WeakPolarHBondContact CA-O 3.44Å; G184-H187 PolarHBondContact N-O 2.72Å; H187-S200 CarbonylContact C-O 3.59Å; H187-S200 WeakPolarHBondContact CA-O 3.43Å; H187-Q207 HydrophobicContact CB-CG 3.8Å; H187-Q207 PolarHBondContact CD2-O 3.48Å; H187-L208 HydrophobicContact CB-CD2 3.99Å; H187-C246 PolarHBondContact NE2-SG 2.84Å; H187-T251 PolarHBondContact CD2-OG1 3.24Å; H187-T251 PolarHBondContact NE2-OG1 3.27Å
188I98.9Very high98.1Very high0 Ų016.4 Ų16.40%09%0.091CC..EExtended strand (participates in β ladder)trans-125.3142.7174.9-169.6171000110.5A136 I146 F150 A182 L190 T199 S200A136-I188 HydrophobicContact CB-CD1 3.37Å; I146-I188 HydrophobicContact CD1-CD1 4.17Å; I146-I188 HydrophobicContact CD1-CG2 4.43Å; F150-I188 HydrophobicContact CE1-CG2 4.49Å; F150-I188 HydrophobicContact CZ-CB 4.32Å; F150-I188 HydrophobicContact CZ-CG2 3.78Å; A182-I188 WeakPolarHBondContact O-CA 3.35Å; I188-L190 HydrophobicContact CD1-CD2 3.78Å; I188-L190 HydrophobicContact CG1-CD2 3.89Å; I188-T199 VanDerWaalsContact O-CA 3.32Å; I188-T199 WeakPolarHBondContact O-CA 3.49Å; I188-S200 PolarHBondContact N-O 3.15Å; I188-S200 PolarHBondContact O-N 2.98Å
189V98.9Very high98.1Very high1 Ų116.3 Ų16.31%0.0069%0.091CC..EExtended strand (participates in β ladder)trans-118.1130176.9-176.90000108.6I181 A182 L197 F198 T199 A244 C246 T251I181-V189 WeakPolarHBondContact CA-O 3.32Å; A182-V189 HydrophobicContact CB-CB 4.49Å; A182-V189 PolarHBondContact N-O 2.92Å; A182-V189 PolarHBondContact O-N 2.84Å; V189-L197 HydrophobicContact CG1-CD1 3.31Å; V189-L197 HydrophobicContact CG1-CD2 4.34Å; V189-L197 HydrophobicContact CG1-CG 3.84Å; V189-F198 CarbonylContact C-O 3.5Å; V189-F198 WeakPolarHBondContact CA-O 3.28Å; V189-T199 HydrophobicContact CG1-CG2 4.46Å; V189-T199 HydrophobicContact CG2-CG2 4.09Å; V189-A244 HydrophobicContact CG1-CB 3.9Å; V189-C246 WeakPolarHBondContact CG2-SG 3.42Å; V189-T251 HydrophobicContact CG1-CG2 4.33Å; V189-T251 HydrophobicContact CG2-CG2 3.65Å
190L98.8Very high98.1Very high0 Ų016 Ų160%09%0.089CC..EExtended strand (participates in β ladder)trans-119.2117179.2-44.3172.6000108.4V144 I172 L174 V178 I181 I188 F198 P230V144-L190 HydrophobicContact CG1-CD2 4.18Å; V144-L190 HydrophobicContact CG2-CD2 4.3Å; I172-L190 HydrophobicContact CD1-CD1 4.2Å; I172-L190 HydrophobicContact CD1-CD2 4.45Å; I172-L190 HydrophobicContact CG2-CD1 4.22Å; L174-L190 HydrophobicContact CD2-CD1 4.26Å; V178-L190 HydrophobicContact CG1-CB 4.25Å; V178-L190 HydrophobicContact CG2-CB 4.16Å; I181-L190 HydrophobicContact CB-CD2 4.46Å; I181-L190 HydrophobicContact CG2-CD2 3.65Å; I188-L190 HydrophobicContact CD1-CD2 3.78Å; I188-L190 HydrophobicContact CG1-CD2 3.89Å; L190-F198 HydrophobicContact CB-CB 4.21Å; L190-F198 HydrophobicContact CD1-CB 4.48Å; L190-F198 PolarHBondContact N-O 3.41Å; L190-F198 PolarHBondContact O-N 2.9Å; L190-P230 HydrophobicContact CD1-CB 4.03Å; L190-P230 HydrophobicContact CD1-CG 4.02Å
191L98.8Very high98Very high3 Ų315.3 Ų15.32%0.0169%0.086CC..EExtended strand (participates in β ladder)trans-97.2121.6174177.364.2000109.1V178 V179 K180 L197 F241V178-L191 WeakPolarHBondContact CG1-O 3.39Å; V179-L191 HydrophobicContact CG2-CD2 4.28Å; V179-L191 HydrophobicContact CG2-CG 4.05Å; V179-L191 WeakPolarHBondContact CG2-O 3.4Å; V179-L191 PolarHBondContact N-O 2.94Å; K180-L191 HydrophobicContact CB-CB 4.15Å; K180-L191 HydrophobicContact CB-CD2 4.34Å; K180-L191 PolarHBondContact N-O 3.43Å; K180-L191 PolarHBondContact O-N 2.79Å; L191-L197 HydrophobicContact CB-CD1 4.47Å; L191-L197 HydrophobicContact CD1-CD1 4.39Å; L191-F241 HydrophobicContact CD1-CB 3.8Å
192T98.1Very high97.9Very high2 Ų215.4 Ų15.41%0.0129%0.087CC..EExtended strand (participates in β ladder)trans-88.8163.718078.60000112.4L174 E176 P177 D194 G195 N196 F198L174-T192 HydrophobicContact CD2-CG2 4.2Å; E176-T192 HydrophobicContact CB-CG2 3.84Å; E176-T192 WeakPolarHBondContact OE2-CB 3.44Å; E176-T192 WeakPolarHBondContact OE2-CG2 3.18Å; E176-T192 PolarHBondContact OE2-OG1 2.77Å; P177-T192 CarbonylContact O-C 3.57Å; P177-T192 VanDerWaalsContact O-CA 3.31Å; P177-T192 WeakPolarHBondContact O-CA 3.35Å; P177-T192 WeakPolarHBondContact O-CB 3.42Å; T192-D194 PolarHBondContact O-N 2.93Å; T192-G195 WeakPolarHBondContact O-CA 3.45Å; T192-G195 PolarHBondContact O-N 2.82Å; T192-N196 HydrophobicContact CG2-CB 4.26Å; T192-N196 PolarHBondContact N-O 2.79Å; T192-N196 WeakPolarHBondContact OG1-CB 3.49Å; T192-N196 PolarHBondContact OG1-N 2.98Å; T192-F198 HydrophobicContact CG2-CD2 3.7Å; T192-F198 HydrophobicContact CG2-CE2 3.66Å
193L95.3Very high97.7Very high103 Ų10314.9 Ų14.954%0.5398%0.083SC..THydrogen-bonded Turntrans-56.2-32.2177.7-17464.5000112.9P177 V179 G195P177-L193 PolarHBondContact O-N 2.88Å; V179-L193 HydrophobicContact CG1-CB 3.86Å; V179-L193 HydrophobicContact CG1-CD1 3.66Å; V179-L193 HydrophobicContact CG1-CG 4.38Å; L193-G195 PolarHBondContact O-N 3.38Å
194D94.8Very high97.3Very high92 Ų9215.2 Ų15.249%0.4928%0.082SC..THydrogen-bonded Turntrans-79.7-2.1178.4-69.2-31.2000113.4T192 R240T192-D194 PolarHBondContact O-N 2.93Å; D194-R240 WeakPolarHBondContact O-CD 3.37Å; D194-R240 PolarHBondContact O-NE 3.03Å
195G96.1Very high97.1Very high3 Ų316.8 Ų16.83%0.0319%0.088CC..SBendtrans76.324.8-175.800000113.3T192 L193 F241T192-G195 WeakPolarHBondContact O-CA 3.45Å; T192-G195 PolarHBondContact O-N 2.82Å; L193-G195 PolarHBondContact O-N 3.38Å; G195-F241 VanDerWaalsContact CA-O 3.24Å; G195-F241 WeakPolarHBondContact CA-O 3.27Å; G195-F241 PolarHBondContact O-N 2.85Å
196N97.1Very high97Very high12 Ų1215.7 Ų15.76%0.0648%0.083CC..  trans-79.9141.5167.1-64.6-48.2000109.7E176 T192 F198 M232 R240E176-N196 VanDerWaalsContact CD-ND2 3.33Å; E176-N196 PolarHBondContact OE1-ND2 2.85Å; E176-N196 PolarHBondContact OE2-ND2 2.94Å; T192-N196 HydrophobicContact CG2-CB 4.26Å; T192-N196 PolarHBondContact N-O 2.79Å; T192-N196 WeakPolarHBondContact OG1-CB 3.49Å; T192-N196 PolarHBondContact OG1-N 2.98Å; N196-F198 HydrophobicContact CB-CD2 4.16Å; N196-F198 HydrophobicContact CB-CE2 3.62Å; N196-M232 HydrophobicContact CB-CG 4.41Å; N196-M232 HydrophobicContact CB-SD 4.09Å; N196-M232 PolarHBondContact OD1-SD 2.95Å; N196-R240 PolarHBondContact OD1-NH1 3.19Å
197L98Very high97Very high1 Ų115.1 Ų15.11%0.0058%0.079CC..EExtended strand (participates in β ladder)trans-107.2120.5175.7-163.170.8000108.9V189 L191 M232 V233 F241 A244 A253 F263V189-L197 HydrophobicContact CG1-CD1 3.31Å; V189-L197 HydrophobicContact CG1-CD2 4.34Å; V189-L197 HydrophobicContact CG1-CG 3.84Å; L191-L197 HydrophobicContact CB-CD1 4.47Å; L191-L197 HydrophobicContact CD1-CD1 4.39Å; L197-M232 CarbonylContact O-C 3.58Å; L197-M232 WeakPolarHBondContact O-CA 3.3Å; L197-V233 HydrophobicContact CB-CB 4.4Å; L197-V233 HydrophobicContact CB-CG2 4.5Å; L197-V233 HydrophobicContact CD2-CB 4.49Å; L197-V233 HydrophobicContact CD2-CG2 4.28Å; L197-V233 HydrophobicContact CG-CG2 4.42Å; L197-V233 PolarHBondContact O-N 2.83Å; L197-F241 HydrophobicContact CB-CD2 3.77Å; L197-F241 HydrophobicContact CB-CE2 4.03Å; L197-F241 HydrophobicContact CD2-CD2 4.42Å; L197-F241 HydrophobicContact CD2-CE2 4.32Å; L197-A244 HydrophobicContact CD1-CB 3.61Å; L197-A253 HydrophobicContact CD2-CB 3.84Å; L197-F263 HydrophobicContact CD2-CE1 4.21Å; L197-F263 HydrophobicContact CD2-CZ 3.97Å
198F98.6Very high96.9Very high21 Ų2115.1 Ų15.19%0.0928%0.079CC..EExtended strand (participates in β ladder)trans-110.3144.3173-69.7-108.1000109.7L174 V189 L190 T192 N196 P230 Q231 M232L174-F198 HydrophobicContact CD1-CD1 3.67Å; L174-F198 HydrophobicContact CD1-CD2 4.41Å; L174-F198 HydrophobicContact CD1-CE1 3.54Å; L174-F198 HydrophobicContact CD1-CE2 4.29Å; L174-F198 HydrophobicContact CD1-CG 4.13Å; L174-F198 HydrophobicContact CD1-CZ 3.88Å; L174-F198 HydrophobicContact CD2-CD2 4.44Å; V189-F198 CarbonylContact C-O 3.5Å; V189-F198 WeakPolarHBondContact CA-O 3.28Å; L190-F198 HydrophobicContact CB-CB 4.21Å; L190-F198 HydrophobicContact CD1-CB 4.48Å; L190-F198 PolarHBondContact N-O 3.41Å; L190-F198 PolarHBondContact O-N 2.9Å; T192-F198 HydrophobicContact CG2-CD2 3.7Å; T192-F198 HydrophobicContact CG2-CE2 3.66Å; N196-F198 HydrophobicContact CB-CD2 4.16Å; N196-F198 HydrophobicContact CB-CE2 3.62Å; F198-P230 HydrophobicContact CB-CB 4.2Å; F198-P230 HydrophobicContact CD1-CB 4.46Å; F198-Q231 WeakPolarHBondContact CA-O 3.5Å; F198-M232 HydrophobicContact CD1-CB 4.16Å; F198-M232 VanDerWaalsContact CD1-N 3.27Å; F198-M232 HydrophobicContact CE1-CB 3.84Å; F198-M232 HydrophobicContact CE2-CB 4.34Å; F198-M232 HydrophobicContact CE2-CG 4.49Å; F198-M232 HydrophobicContact CZ-CB 3.94Å; F198-M232 HydrophobicContact CZ-CG 4.47Å
199T98.8Very high96.8Very high0 Ų015.4 Ų15.40%08%0.082CC..EExtended strand (participates in β ladder)trans-131.7145.6178.456.70000111.2I188 V189 L208 R210 P230 Q231 V233 F263I188-T199 VanDerWaalsContact O-CA 3.32Å; I188-T199 WeakPolarHBondContact O-CA 3.49Å; V189-T199 HydrophobicContact CG1-CG2 4.46Å; V189-T199 HydrophobicContact CG2-CG2 4.09Å; T199-L208 PolarHBondContact OG1-O 3.25Å; T199-R210 VanDerWaalsContact O-CZ 3.3Å; T199-R210 PolarHBondContact O-NE 2.95Å; T199-R210 PolarHBondContact O-NH2 3.17Å; T199-R210 VanDerWaalsContact OG1-CD 3.3Å; T199-R210 WeakPolarHBondContact OG1-CD 3.47Å; T199-R210 PolarHBondContact OG1-NE 3.41Å; T199-P230 WeakPolarHBondContact O-CA 3.49Å; T199-Q231 PolarHBondContact N-O 2.85Å; T199-Q231 PolarHBondContact O-N 2.82Å; T199-V233 HydrophobicContact CG2-CG2 3.52Å; T199-F263 HydrophobicContact CG2-CE2 4.36Å; T199-F263 HydrophobicContact CG2-CZ 4.41Å
200S98.2Very high96.7Very high3 Ų316.7 Ų16.72%0.0219%0.087CC..EExtended strand (participates in β ladder)trans-145.6156.7174.7-167.30000111.6H187 I188 L227 L228H187-S200 CarbonylContact C-O 3.59Å; H187-S200 WeakPolarHBondContact CA-O 3.43Å; I188-S200 PolarHBondContact N-O 3.15Å; I188-S200 PolarHBondContact O-N 2.98Å; S200-L227 WeakPolarHBondContact CA-O 3.19Å; S200-L227 PolarHBondContact OG-O 3.31Å; S200-L228 VanDerWaalsContact OG-CA 3.32Å; S200-L228 WeakPolarHBondContact OG-CA 3.15Å; S200-L228 PolarHBondContact OG-O 2.78Å
201G97.4Very high96.3Very high0 Ų017 Ų170%09%0.088CC..EExtended strand (participates in β ladder)trans114.6-147.217700000113.4F150 D186 L227F150-G201 VanDerWaalsContact CD2-CA 3.46Å; D186-G201 CarbonylContact O-C 3.54Å; D186-G201 WeakPolarHBondContact O-CA 3.27Å; G201-L227 PolarHBondContact N-O 3.02Å; G201-L227 WeakPolarHBondContact O-CB 3.23Å
202S95.5Very high95.8Very high5 Ų520.4 Ų20.44%0.03511%0.111CC..  trans-68.2142.8178.4-175.60000111.9R151 D186 Q207 L208R151-S202 VanDerWaalsContact O-CB 3.31Å; R151-S202 WeakPolarHBondContact O-CB 3.49Å; D186-S202 WeakPolarHBondContact O-CB 3.35Å; D186-S202 PolarHBondContact O-N 2.76Å; S202-Q207 VanDerWaalsContact O-CG 3.22Å; S202-Q207 WeakPolarHBondContact O-CG 3.36Å; S202-Q207 PolarHBondContact O-NE2 3Å; S202-L208 WeakPolarHBondContact O-CD2 3.15Å; S202-L208 WeakPolarHBondContact O-CG 3.42Å
203A94.4Very high95.2Very high3 Ų325 Ų253%0.02513%0.132CC..  trans-125.45-178.200000113.4Q205 G206 L208 V211 S216 L227A203-Q205 PolarHBondContact O-N 2.85Å; A203-G206 PolarHBondContact O-N 3.48Å; A203-L208 HydrophobicContact CB-CB 4.42Å; A203-L208 HydrophobicContact CB-CD1 3.64Å; A203-L208 HydrophobicContact CB-CG 3.79Å; A203-V211 HydrophobicContact CB-CB 4.39Å; A203-S216 WeakPolarHBondContact O-CB 2.99Å; A203-S216 PolarHBondContact O-OG 2.87Å; A203-L227 HydrophobicContact CB-CD1 4.16Å; A203-L227 HydrophobicContact CB-CD2 4.07Å
204E91.8Very high94.6Very high27 Ų2725.7 Ų25.713%0.12613%0.132CC..THydrogen-bonded Turntrans-59.4-32.4-171.4-70.2-167.8145.400112.9D152 N153D152-E204 HydrophobicContact CB-CG 4.16Å; N153-E204 VanDerWaalsContact CB-OE2 3.28Å; N153-E204 WeakPolarHBondContact CB-OE2 3.44Å; N153-E204 PolarHBondContact N-OE2 3.43Å; N153-E204 PolarHBondContact ND2-OE2 3.46Å
205Q94.8Very high93.7Very high38 Ų3827.3 Ų27.318%0.17814%0.135CC..THydrogen-bonded Turntrans-100.52.8-179.5-49.2-56.9-32.800112.6A203 G264 L265 M278A203-Q205 PolarHBondContact O-N 2.85Å; Q205-G264 CarbonylContact O-C 3.53Å; Q205-G264 WeakPolarHBondContact O-CA 3.37Å; Q205-L265 HydrophobicContact CB-CB 4.01Å; Q205-L265 PolarHBondContact O-N 3.13Å; Q205-M278 PolarHBondContact OE1-SD 2.91Å
206G95.9Very high92.6Very high1 Ų127.8 Ų27.81%0.0114%0.138CC..SBendtrans85.17.1-175.900000114.9A203 L208 G209A203-G206 PolarHBondContact O-N 3.48Å; G206-L208 PolarHBondContact O-N 3.13Å; G206-G209 PolarHBondContact O-N 3.37Å
207Q97.6Very high91Very high2 Ų231.2 Ų31.21%0.00916%0.157CC..THydrogen-bonded Turntrans-65.1-7-175.568.2-88.448.800114.9H187 S202 Y249 T251 F263H187-Q207 HydrophobicContact CB-CG 3.8Å; H187-Q207 PolarHBondContact CD2-O 3.48Å; S202-Q207 VanDerWaalsContact O-CG 3.22Å; S202-Q207 WeakPolarHBondContact O-CG 3.36Å; S202-Q207 PolarHBondContact O-NE2 3Å; Q207-Y249 WeakPolarHBondContact CB-O 3.4Å; Q207-T251 PolarHBondContact O-OG1 3.28Å; Q207-F263 VanDerWaalsContact O-CE2 3.29Å; Q207-F263 WeakPolarHBondContact O-CE2 3.12Å
208L97.6Very high89.1Confident1 Ų137.6 Ų37.61%0.00518%0.181CC..THydrogen-bonded Turntrans-86.8-19.9169-57.7-168.6000113.4H187 T199 S202 A203 G206 R210 V211 L227 V233H187-L208 HydrophobicContact CB-CD2 3.99Å; T199-L208 PolarHBondContact OG1-O 3.25Å; S202-L208 WeakPolarHBondContact O-CD2 3.15Å; S202-L208 WeakPolarHBondContact O-CG 3.42Å; A203-L208 HydrophobicContact CB-CB 4.42Å; A203-L208 HydrophobicContact CB-CD1 3.64Å; A203-L208 HydrophobicContact CB-CG 3.79Å; G206-L208 PolarHBondContact O-N 3.13Å; L208-R210 HydrophobicContact CB-CG 4.12Å; L208-R210 PolarHBondContact O-N 3.09Å; L208-V211 HydrophobicContact CD1-CG2 4.3Å; L208-L227 HydrophobicContact CD1-CB 4.29Å; L208-L227 HydrophobicContact CD1-CD2 4.16Å; L208-V233 WeakPolarHBondContact O-CG2 3.49Å
209G96.8Very high87.1Confident5 Ų539.3 Ų39.35%0.05220%0.204CC..SBendtrans62.28.8178.800000115.6G206 F280 P282G206-G209 PolarHBondContact O-N 3.37Å; G209-F280 CarbonylContact C-O 3.6Å; G209-F280 WeakPolarHBondContact CA-O 3.35Å; G209-P282 VanDerWaalsContact O-CD 3.26Å; G209-P282 WeakPolarHBondContact O-CD 3.36Å
210R95.5Very high85Confident29 Ų2941.5 Ų41.511%0.10923%0.227CC..SBendtrans-133.94-173.369.7-179.4173.778.1-3.1113.7T199 L208 R226 L227 I229 Q231 V233T199-R210 VanDerWaalsContact O-CZ 3.3Å; T199-R210 PolarHBondContact O-NE 2.95Å; T199-R210 PolarHBondContact O-NH2 3.17Å; T199-R210 VanDerWaalsContact OG1-CD 3.3Å; T199-R210 WeakPolarHBondContact OG1-CD 3.47Å; T199-R210 PolarHBondContact OG1-NE 3.41Å; L208-R210 HydrophobicContact CB-CG 4.12Å; L208-R210 PolarHBondContact O-N 3.09Å; R210-R226 PolarHBondContact NH1-O 3.24Å; R210-R226 PolarHBondContact NH2-O 3.43Å; R210-R226 VanDerWaalsContact NH2-O 3.17Å; R210-L227 PolarHBondContact NH2-O 2.89Å; R210-I229 PolarHBondContact NH2-O 3.48Å; R210-Q231 VanDerWaalsContact CD-O 3.27Å; R210-Q231 WeakPolarHBondContact CD-O 3.39Å; R210-Q231 PolarHBondContact NE-O 2.84Å; R210-V233 HydrophobicContact CB-CG2 4.49Å
211V91.9Very high83.8Confident6 Ų645 Ų454%0.03624%0.239CC..SBendtrans-128.7113.1-175.9-1750000107.5A203 L208 F215 L227A203-V211 HydrophobicContact CB-CB 4.39Å; L208-V211 HydrophobicContact CD1-CG2 4.3Å; V211-F215 HydrophobicContact CG1-CB 3.7Å; V211-L227 HydrophobicContact CB-CD2 4.4Å; V211-L227 HydrophobicContact CG1-CD2 4.09Å; V211-L227 HydrophobicContact CG2-CD2 3.7Å
212P87.1Confident82.5Confident75 Ų7553.8 Ų53.849%0.48728%0.278SS..  trans-61.3150.5178.2-21.531.6000111.9H214 F215 S216P212-H214 PolarHBondContact O-N 2.87Å; P212-F215 HydrophobicContact CB-CD2 4.26Å; P212-F215 HydrophobicContact CG-CD2 4.23Å; P212-F215 PolarHBondContact O-N 3.03Å; P212-S216 PolarHBondContact O-N 3.43Å
213E86.7Confident81.8Confident98 Ų9855.9 Ų55.946%0.45830%0.3SS..Hα-helixtrans-45.5-43.9-179.9-175.1176.2-16700113.8F215 S216 N217 F280E213-F215 PolarHBondContact O-N 3.13Å; E213-S216 PolarHBondContact O-N 2.6Å; E213-N217 VanDerWaalsContact CG-ND2 3.29Å; E213-N217 WeakPolarHBondContact CG-ND2 3.34Å; E213-N217 PolarHBondContact O-N 2.75Å; E213-N217 PolarHBondContact OE1-ND2 3.2Å; E213-N217 VanDerWaalsContact OE1-ND2 3.13Å; E213-F280 HydrophobicContact CB-CD1 4.16Å; E213-F280 HydrophobicContact CB-CD2 3.6Å; E213-F280 HydrophobicContact CB-CE1 4.18Å; E213-F280 HydrophobicContact CB-CE2 3.59Å; E213-F280 HydrophobicContact CB-CG 3.89Å; E213-F280 HydrophobicContact CB-CZ 3.91Å; E213-F280 HydrophobicContact CG-CD2 4.1Å; E213-F280 HydrophobicContact CG-CE1 4.35Å; E213-F280 HydrophobicContact CG-CE2 3.54Å; E213-F280 HydrophobicContact CG-CZ 3.7Å
214H81.1Confident81.5Confident118 Ų11856.3 Ų56.355%0.54630%0.302SS..Hα-helixtrans-58.7-22.9-179.7-176.866.1000114.2P212 R218P212-H214 PolarHBondContact O-N 2.87Å; H214-R218 PolarHBondContact CD2-NH2 2.85Å; H214-R218 PolarHBondContact NE2-NH1 2.87Å; H214-R218 PolarHBondContact NE2-NH2 3.38Å; H214-R218 PolarHBondContact O-NE 2.87Å
215F76.9Confident81.3Confident126 Ų12656.6 Ų56.655%0.55331%0.312SS*.Hα-helixtrans-96.8-19.2175.1-65.9-79000112.9V211 P212 E213 R218V211-F215 HydrophobicContact CG1-CB 3.7Å; P212-F215 HydrophobicContact CB-CD2 4.26Å; P212-F215 HydrophobicContact CG-CD2 4.23Å; P212-F215 PolarHBondContact O-N 3.03Å; E213-F215 PolarHBondContact O-N 3.13Å; F215-R218 VanDerWaalsContact CD1-NH2 3.34Å
216S72.8Confident81Confident13 Ų1362 Ų629%0.09133%0.33CS..Hα-helixtrans-83.5-42.7176-62.70000112.8A203 P212 E213 R218A203-S216 WeakPolarHBondContact O-CB 2.99Å; A203-S216 PolarHBondContact O-OG 2.87Å; P212-S216 PolarHBondContact O-N 3.43Å; E213-S216 PolarHBondContact O-N 2.6Å; S216-R218 PolarHBondContact O-N 3.15Å
217N64.2Low80.9Confident84 Ų8463 Ų6345%0.44934%0.336SS..SBendtrans-861.6-171.7-76.9-6.3000115E213 G219E213-N217 VanDerWaalsContact CG-ND2 3.29Å; E213-N217 WeakPolarHBondContact CG-ND2 3.34Å; E213-N217 PolarHBondContact O-N 2.75Å; E213-N217 PolarHBondContact OE1-ND2 3.2Å; E213-N217 VanDerWaalsContact OE1-ND2 3.13Å; N217-G219 PolarHBondContact O-N 3.41Å
218R58.4Low80.8Confident135 Ų13563 Ų6351%0.50934%0.335SS..  trans-73.62.6-170.5-102.3-167.3-84.2-169.41115.3H214 F215 S216 G220H214-R218 PolarHBondContact CD2-NH2 2.85Å; H214-R218 PolarHBondContact NE2-NH1 2.87Å; H214-R218 PolarHBondContact NE2-NH2 3.38Å; H214-R218 PolarHBondContact O-NE 2.87Å; F215-R218 VanDerWaalsContact CD1-NH2 3.34Å; S216-R218 PolarHBondContact O-N 3.15Å; R218-G220 PolarHBondContact O-N 3.26Å
219G56Low80.7Confident57 Ų5765.9 Ų65.959%0.58835%0.35SS*.SBendtrans59.5-15172.100000116.4N217N217-G219 PolarHBondContact O-N 3.41Å
220G54.4Low80.7Confident46 Ų4666.1 Ų66.147%0.47435%0.351SS..SBendtrans-98.414.6-170.400000113.9R218 K222R218-G220 PolarHBondContact O-N 3.26Å; G220-K222 WeakPolarHBondContact O-CG 3.32Å; G220-K222 PolarHBondContact O-N 3.25Å
221R72.3Confident80.8Confident75 Ų7567.7 Ų67.728%0.28336%0.36SS..  trans47.728.6178.7-69.8-179.6173.7169.54.9113.5D152 N154 G155 V156 G223 L224D152-R221 IonicContact OD1-CZ 3.73Å; D152-R221 IonicContact OD1-NE 3.72Å; D152-R221 IonicContact OD1-NH2 2.86Å; D152-R221 PolarHBondContact OD1-NH2 3.48Å; D152-R221 IonicContact OD2-NE 3.29Å; D152-R221 PolarHBondContact OD2-NE 2.67Å; D152-R221 IonicContact OD2-NH2 3.83Å; N154-R221 PolarHBondContact O-NH2 3.08Å; G155-R221 PolarHBondContact O-NH2 3.34Å; V156-R221 PolarHBondContact O-NH1 2.96Å; R221-G223 PolarHBondContact O-N 2.94Å; R221-L224 HydrophobicContact CB-CD1 3.73Å; R221-L224 HydrophobicContact CB-CD2 4.42Å; R221-L224 HydrophobicContact CB-CG 3.89Å; R221-L224 HydrophobicContact CG-CD1 4.07Å; R221-L224 HydrophobicContact CG-CD2 4.49Å; R221-L224 HydrophobicContact CG-CG 4.4Å; R221-L224 WeakPolarHBondContact O-CG 3.35Å
222K71.5Confident81Confident186 Ų18670.6 Ų70.681%0.80937%0.374SS*.THydrogen-bonded Turntrans-77.8121.4-178.6-72.1-173179.9178.10108.7G220G220-K222 WeakPolarHBondContact O-CG 3.32Å; G220-K222 PolarHBondContact O-N 3.25Å
223G81.2Confident81.5Confident49 Ų4967.3 Ų67.351%0.50535%0.352SS..THydrogen-bonded Turntrans83.421.8179.400000114.5R221 G225 R226R221-G223 PolarHBondContact O-N 2.94Å; G223-G225 PolarHBondContact O-N 3.03Å; G223-G225 VanDerWaalsContact O-N 3.12Å; G223-R226 VanDerWaalsContact O-CB 3.28Å; G223-R226 WeakPolarHBondContact O-CB 3.46Å; G223-R226 PolarHBondContact O-N 3.36Å
224L87.3Confident81.6Confident12 Ų1270.7 Ų70.76%0.06337%0.365CS..Hα-helixtrans-48.5-37.5172.8-79.4-177.9000112.9I157 P162 M163 R221 R226 L227 L228I157-L224 HydrophobicContact CB-CD1 4.09Å; I157-L224 HydrophobicContact CB-CD2 3.91Å; I157-L224 HydrophobicContact CD1-CD2 4.33Å; I157-L224 HydrophobicContact CG2-CD1 4.37Å; I157-L224 HydrophobicContact CG2-CD2 4Å; P162-L224 HydrophobicContact CB-CB 3.99Å; P162-L224 HydrophobicContact CB-CD1 4.13Å; P162-L224 HydrophobicContact CG-CB 3.92Å; M163-L224 HydrophobicContact SD-CD1 4.39Å; R221-L224 HydrophobicContact CB-CD1 3.73Å; R221-L224 HydrophobicContact CB-CD2 4.42Å; R221-L224 HydrophobicContact CB-CG 3.89Å; R221-L224 HydrophobicContact CG-CD1 4.07Å; R221-L224 HydrophobicContact CG-CD2 4.49Å; R221-L224 HydrophobicContact CG-CG 4.4Å; R221-L224 WeakPolarHBondContact O-CG 3.35Å; L224-R226 PolarHBondContact O-N 2.72Å; L224-R226 VanDerWaalsContact O-N 3.09Å; L224-L227 HydrophobicContact CD2-CD1 4.02Å; L224-L227 WeakPolarHBondContact O-CA 3.3Å; L224-L227 WeakPolarHBondContact O-CB 3.22Å; L224-L227 PolarHBondContact O-N 2.59Å; L224-L228 HydrophobicContact CB-CD1 4.26Å; L224-L228 WeakPolarHBondContact O-CG 3.41Å; L224-L228 PolarHBondContact O-N 2.85Å
225G87.4Confident81.9Confident32 Ų3267 Ų6733%0.3335%0.349SS..Hα-helixtrans-56.8-27.9176.200000113.9G223 I229G223-G225 PolarHBondContact O-N 3.03Å; G223-G225 VanDerWaalsContact O-N 3.12Å; G225-I229 WeakPolarHBondContact O-CG1 3.31Å; G225-I229 PolarHBondContact O-N 3.46Å
226R89.4Confident81.9Confident151 Ų15167.3 Ų67.357%0.5736%0.357SS*.Hα-helixtrans-76-25.8173.9-171.4-177.8173.9112.40.6112.7R210 G223 L224R210-R226 PolarHBondContact NH1-O 3.24Å; R210-R226 PolarHBondContact NH2-O 3.43Å; R210-R226 VanDerWaalsContact NH2-O 3.17Å; G223-R226 VanDerWaalsContact O-CB 3.28Å; G223-R226 WeakPolarHBondContact O-CB 3.46Å; G223-R226 PolarHBondContact O-N 3.36Å; L224-R226 PolarHBondContact O-N 2.72Å; L224-R226 VanDerWaalsContact O-N 3.09Å
227L93.6Very high81.7Confident24 Ų2478.2 Ų78.213%0.12640%0.396CS..Hα-helixtrans-82.7-45.2179-51.4-171.1000110.9S200 G201 A203 L208 R210 V211 L224S200-L227 WeakPolarHBondContact CA-O 3.19Å; S200-L227 PolarHBondContact OG-O 3.31Å; G201-L227 PolarHBondContact N-O 3.02Å; G201-L227 WeakPolarHBondContact O-CB 3.23Å; A203-L227 HydrophobicContact CB-CD1 4.16Å; A203-L227 HydrophobicContact CB-CD2 4.07Å; L208-L227 HydrophobicContact CD1-CB 4.29Å; L208-L227 HydrophobicContact CD1-CD2 4.16Å; R210-L227 PolarHBondContact NH2-O 2.89Å; V211-L227 HydrophobicContact CB-CD2 4.4Å; V211-L227 HydrophobicContact CG1-CD2 4.09Å; V211-L227 HydrophobicContact CG2-CD2 3.7Å; L224-L227 HydrophobicContact CD2-CD1 4.02Å; L224-L227 WeakPolarHBondContact O-CA 3.3Å; L224-L227 WeakPolarHBondContact O-CB 3.22Å; L224-L227 PolarHBondContact O-N 2.59Å
228L95.7Very high82.5Confident0 Ų082.6 Ų82.60%041%0.411CS..Hα-helixtrans-78.3-23.1-172.7-62.2176.8000114.6F150 I157 L159 P162 S200 L224F150-L228 HydrophobicContact CD2-CD2 3.86Å; I157-L228 HydrophobicContact CD1-CD2 3.91Å; I157-L228 HydrophobicContact CG1-CD2 4.1Å; I157-L228 WeakPolarHBondContact O-CD1 3.29Å; L159-L228 WeakPolarHBondContact O-CB 3.21Å; P162-L228 HydrophobicContact CB-CD1 4.35Å; P162-L228 HydrophobicContact CG-CD1 4.18Å; S200-L228 VanDerWaalsContact OG-CA 3.32Å; S200-L228 WeakPolarHBondContact OG-CA 3.15Å; S200-L228 PolarHBondContact OG-O 2.78Å; L224-L228 HydrophobicContact CB-CD1 4.26Å; L224-L228 WeakPolarHBondContact O-CG 3.41Å; L224-L228 PolarHBondContact O-N 2.85Å
229I94.4Very high84.1Confident62 Ų6277.4 Ų77.432%0.31839%0.394SS..SBendtrans-88.3126.2169.3-58.8-58.8000108.3L160 P173 R210 G225 Q231L160-I229 VanDerWaalsContact O-CD1 3.3Å; L160-I229 WeakPolarHBondContact O-CD1 3.4Å; P173-I229 HydrophobicContact CG-CD1 4.47Å; R210-I229 PolarHBondContact NH2-O 3.48Å; G225-I229 WeakPolarHBondContact O-CG1 3.31Å; G225-I229 PolarHBondContact O-N 3.46Å; I229-Q231 PolarHBondContact O-N 3.01Å
230P97.3Very high86Confident11 Ų1179.1 Ų79.17%0.07138%0.383CS..  trans-56.1129.9177.6-25.233.4000111.9I172 L190 F198 T199I172-P230 HydrophobicContact CG2-CG 3.54Å; L190-P230 HydrophobicContact CD1-CB 4.03Å; L190-P230 HydrophobicContact CD1-CG 4.02Å; F198-P230 HydrophobicContact CB-CB 4.2Å; F198-P230 HydrophobicContact CD1-CB 4.46Å; T199-P230 WeakPolarHBondContact O-CA 3.49Å
231Q96.8Very high88Confident62 Ų6277.3 Ų77.329%0.2936%0.362SS..EExtended strand (participates in β ladder)trans-130.6150.4172.3-57.6-176.1-3.800110.1F198 T199 R210 I229 V233F198-Q231 WeakPolarHBondContact CA-O 3.5Å; T199-Q231 PolarHBondContact N-O 2.85Å; T199-Q231 PolarHBondContact O-N 2.82Å; R210-Q231 VanDerWaalsContact CD-O 3.27Å; R210-Q231 WeakPolarHBondContact CD-O 3.39Å; R210-Q231 PolarHBondContact NE-O 2.84Å; I229-Q231 PolarHBondContact O-N 3.01Å; Q231-V233 PolarHBondContact O-N 2.97Å
232M96.6Very high89.2Confident66 Ų6676.1 Ų76.133%0.32536%0.363SS..EExtended strand (participates in β ladder)trans-65.6132.6-179.9-171.5175.568.500111.1N196 L197 F198 K234N196-M232 HydrophobicContact CB-CG 4.41Å; N196-M232 HydrophobicContact CB-SD 4.09Å; N196-M232 PolarHBondContact OD1-SD 2.95Å; L197-M232 CarbonylContact O-C 3.58Å; L197-M232 WeakPolarHBondContact O-CA 3.3Å; F198-M232 HydrophobicContact CD1-CB 4.16Å; F198-M232 VanDerWaalsContact CD1-N 3.27Å; F198-M232 HydrophobicContact CE1-CB 3.84Å; F198-M232 HydrophobicContact CE2-CB 4.34Å; F198-M232 HydrophobicContact CE2-CG 4.49Å; F198-M232 HydrophobicContact CZ-CB 3.94Å; F198-M232 HydrophobicContact CZ-CG 4.47Å; M232-K234 HydrophobicContact CE-CG 3.96Å; M232-K234 PolarHBondContact O-N 3.31Å
233V96.7Very high90.5Very high6 Ų667.4 Ų67.44%0.03633%0.325CS..  trans-72.9106.1167.8-173.80000107.9L197 T199 L208 R210 Q231 L235 F263 P282L197-V233 HydrophobicContact CB-CB 4.4Å; L197-V233 HydrophobicContact CB-CG2 4.5Å; L197-V233 HydrophobicContact CD2-CB 4.49Å; L197-V233 HydrophobicContact CD2-CG2 4.28Å; L197-V233 HydrophobicContact CG-CG2 4.42Å; L197-V233 PolarHBondContact O-N 2.83Å; T199-V233 HydrophobicContact CG2-CG2 3.52Å; L208-V233 WeakPolarHBondContact O-CG2 3.49Å; R210-V233 HydrophobicContact CB-CG2 4.49Å; Q231-V233 PolarHBondContact O-N 2.97Å; V233-L235 HydrophobicContact CG1-CD1 3.94Å; V233-L235 PolarHBondContact O-N 2.87Å; V233-F263 HydrophobicContact CG2-CZ 4.42Å; V233-P282 HydrophobicContact CG1-CG 3.4Å; V233-P282 VanDerWaalsContact CG1-CG 3.4Å
234K90.4Very high91.3Very high170 Ų17065.1 Ų65.174%0.73930%0.302SS*.  trans-84.6105.7-176.7-66.9-175.6-179.6179.50110.3M232M232-K234 HydrophobicContact CE-CG 3.96Å; M232-K234 PolarHBondContact O-N 3.31Å
235L86.3Confident91.9Very high40 Ų4065.2 Ų65.221%0.20930%0.302CS..  trans-95.8175.9157.7-71.887.9000109.8V233 R237 V239 F241 Y261 P282V233-L235 HydrophobicContact CG1-CD1 3.94Å; V233-L235 PolarHBondContact O-N 2.87Å; L235-R237 PolarHBondContact O-N 2.85Å; L235-V239 HydrophobicContact CB-CB 4.11Å; L235-V239 HydrophobicContact CB-CG2 4.24Å; L235-V239 HydrophobicContact CD2-CB 4.41Å; L235-V239 HydrophobicContact CD2-CG1 4.23Å; L235-V239 HydrophobicContact CD2-CG2 4.37Å; L235-F241 HydrophobicContact CD1-CE2 3.91Å; L235-F241 HydrophobicContact CD1-CZ 3.67Å; L235-F241 HydrophobicContact CD2-CZ 4.19Å; L235-Y261 HydrophobicContact CD2-CD1 3.51Å; L235-Y261 HydrophobicContact CD2-CE1 3.34Å; L235-Y261 HydrophobicContact CD2-CG 4.2Å; L235-P282 HydrophobicContact CD1-CB 3.92Å; L235-P282 HydrophobicContact CD1-CG 3.64Å; L235-P282 HydrophobicContact CD2-CB 3.97Å; L235-P282 HydrophobicContact CG-CB 4.06Å; L235-P282 HydrophobicContact CG-CG 4.07Å
236N77.1Confident92.4Very high132 Ų13264.5 Ų64.571%0.70629%0.292SS*.  trans-46.5137.9170.5-167.5-1.4000110.2K238 V239N236-K238 PolarHBondContact O-N 3.22Å; N236-V239 PolarHBondContact O-N 3.5Å
237R68.4Low92.9Very high242 Ų24257.4 Ų57.491%0.91327%0.266SS*.THydrogen-bonded Turntrans-53.5-9-164.1-81.4-179.1149.9160-5.8116.7L235L235-R237 PolarHBondContact O-N 2.85Å
238K81.3Confident93.1Very high177 Ų17756.5 Ų56.577%0.7726%0.261SS*.THydrogen-bonded Turntrans-96.2-18.4-178.5-63.4-174.9178.4-176.90114.1N236 R240N236-K238 PolarHBondContact O-N 3.22Å; K238-R240 PolarHBondContact O-N 2.81Å
239V92.8Very high93.2Very high26 Ų2659.1 Ų59.116%0.15827%0.271CS..  trans-78.5124.5-175.1-173.30000110L235 N236 F241 Y261L235-V239 HydrophobicContact CB-CB 4.11Å; L235-V239 HydrophobicContact CB-CG2 4.24Å; L235-V239 HydrophobicContact CD2-CB 4.41Å; L235-V239 HydrophobicContact CD2-CG1 4.23Å; L235-V239 HydrophobicContact CD2-CG2 4.37Å; N236-V239 PolarHBondContact O-N 3.5Å; V239-F241 HydrophobicContact CG1-CE1 4.07Å; V239-F241 HydrophobicContact CG1-CE2 4.35Å; V239-F241 HydrophobicContact CG1-CZ 3.9Å; V239-Y261 HydrophobicContact CG1-CE2 4.09Å
240R95.3Very high93.4Very high92 Ų9256.1 Ų56.135%0.34726%0.256SS..  trans-124.3145171.9-64-59.2-160.5-165.615.4108.8D194 N196 K238 S255 K256D194-R240 WeakPolarHBondContact O-CD 3.37Å; D194-R240 PolarHBondContact O-NE 3.03Å; N196-R240 PolarHBondContact OD1-NH1 3.19Å; K238-R240 PolarHBondContact O-N 2.81Å; R240-S255 CarbonylContact O-C 3.46Å; R240-S255 VanDerWaalsContact O-CA 3.24Å; R240-S255 WeakPolarHBondContact O-CA 3.24Å; R240-K256 HydrophobicContact CB-CD 3.8Å; R240-K256 HydrophobicContact CB-CG 4.03Å; R240-K256 PolarHBondContact O-N 2.86Å
241F97.1Very high93.5Very high9 Ų955.6 Ų55.64%0.03925%0.253CS..EExtended strand (participates in β ladder)trans-101.1145.9-179.4-59.9-76.4000111.7L191 G195 L197 L235 V239 A253 V254 Y261L191-F241 HydrophobicContact CD1-CB 3.8Å; G195-F241 VanDerWaalsContact CA-O 3.24Å; G195-F241 WeakPolarHBondContact CA-O 3.27Å; G195-F241 PolarHBondContact O-N 2.85Å; L197-F241 HydrophobicContact CB-CD2 3.77Å; L197-F241 HydrophobicContact CB-CE2 4.03Å; L197-F241 HydrophobicContact CD2-CD2 4.42Å; L197-F241 HydrophobicContact CD2-CE2 4.32Å; L235-F241 HydrophobicContact CD1-CE2 3.91Å; L235-F241 HydrophobicContact CD1-CZ 3.67Å; L235-F241 HydrophobicContact CD2-CZ 4.19Å; V239-F241 HydrophobicContact CG1-CE1 4.07Å; V239-F241 HydrophobicContact CG1-CE2 4.35Å; V239-F241 HydrophobicContact CG1-CZ 3.9Å; F241-A253 HydrophobicContact CD1-CB 3.42Å; F241-A253 VanDerWaalsContact CD1-CB 3.42Å; F241-A253 HydrophobicContact CE1-CB 3.52Å; F241-A253 HydrophobicContact CG-CB 4.03Å; F241-A253 HydrophobicContact CZ-CB 4.19Å; F241-V254 CarbonylContact C-O 3.55Å; F241-V254 WeakPolarHBondContact CA-O 3.43Å; F241-Y261 AromaticContact CE1-CD2 3.86Å; F241-Y261 HydrophobicContact CE1-CD2 3.86Å; F241-Y261 HydrophobicContact CE1-CG 4.21Å
242T97.3Very high93.6Very high49 Ų4952.7 Ų52.730%0.30124%0.239SC..EExtended strand (participates in β ladder)trans-105.1-21.1170.952.30000112H31 V254 K256H31-T242 PolarHBondContact NE2-O 3.21Å; T242-V254 PolarHBondContact N-O 3.14Å; T242-V254 PolarHBondContact OG1-O 3.49Å; T242-K256 HydrophobicContact CG2-CB 4.29Å; T242-K256 HydrophobicContact CG2-CG 3.59Å
243D98.2Very high93.7Very high3 Ų349.6 Ų49.62%0.01622%0.224CC..EExtended strand (participates in β ladder)trans-153.8159178.9-142-22.1000111.7H31 R32 K180 F245 A253 V254H31-D243 IonicContact CE1-OD1 3.56Å; R32-D243 IonicContact CZ-OD2 2.74Å; R32-D243 IonicContact NE-OD2 3.76Å; R32-D243 PolarHBondContact NE-OD2 3.36Å; R32-D243 IonicContact NH2-OD2 3.88Å; R32-D243 PolarHBondContact NH2-OD2 3.2Å; K180-D243 WeakPolarHBondContact CD-OD1 3.48Å; K180-D243 WeakPolarHBondContact CE-OD1 3.33Å; K180-D243 IonicContact NZ-OD1 3.33Å; K180-D243 PolarHBondContact NZ-OD1 3Å; K180-D243 IonicContact NZ-OD2 3.66Å; D243-F245 HydrophobicContact CB-CE2 3.87Å; D243-F245 HydrophobicContact CB-CZ 4.12Å; D243-F245 VanDerWaalsContact CG-CZ 3.44Å; D243-F245 VanDerWaalsContact OD2-CZ 3.28Å; D243-F245 WeakPolarHBondContact OD2-CZ 3.38Å; D243-A253 CarbonylContact O-C 3.55Å; D243-A253 WeakPolarHBondContact O-CA 3.22Å; D243-V254 HydrophobicContact CB-CB 4.24Å; D243-V254 HydrophobicContact CB-CG2 4.47Å; D243-V254 PolarHBondContact N-O 2.74Å; D243-V254 PolarHBondContact O-N 2.9Å
244A98.6Very high93.7Very high2 Ų249.9 Ų49.92%0.01723%0.226CC..EExtended strand (participates in β ladder)trans-148.9145.5176.400000111.1K180 V189 L197 F252K180-A244 WeakPolarHBondContact CE-O 3.31Å; K180-A244 PolarHBondContact NZ-O 2.91Å; V189-A244 HydrophobicContact CG1-CB 3.9Å; L197-A244 HydrophobicContact CD1-CB 3.61Å; A244-F252 CarbonylContact C-O 3.52Å; A244-F252 WeakPolarHBondContact CA-O 3.43Å
245F98.8Very high93.9Very high14 Ų1441.8 Ų41.86%0.06119%0.191CC..EExtended strand (participates in β ladder)trans-141.2153.8-176.2-51.9-91.4000109.5K180 D243 T251 F252 V254 D297 F298K180-F245 VanDerWaalsContact NZ-CE1 3.3Å; D243-F245 HydrophobicContact CB-CE2 3.87Å; D243-F245 HydrophobicContact CB-CZ 4.12Å; D243-F245 VanDerWaalsContact CG-CZ 3.44Å; D243-F245 VanDerWaalsContact OD2-CZ 3.28Å; D243-F245 WeakPolarHBondContact OD2-CZ 3.38Å; F245-T251 WeakPolarHBondContact O-CA 3.28Å; F245-T251 WeakPolarHBondContact O-CG2 3.21Å; F245-F252 HydrophobicContact CB-CB 4.46Å; F245-F252 PolarHBondContact N-O 2.94Å; F245-F252 PolarHBondContact O-N 2.99Å; F245-V254 HydrophobicContact CE2-CG2 4.1Å; F245-D297 WeakPolarHBondContact CE1-OD1 3.46Å; F245-F298 HydrophobicContact CB-CB 3.79Å; F245-F298 HydrophobicContact CD1-CB 4.27Å; F245-F298 WeakPolarHBondContact CD1-O 3.29Å; F245-F298 HydrophobicContact CD2-CB 3.92Å; F245-F298 AromaticContact CD2-CD2 3.76Å; F245-F298 HydrophobicContact CD2-CD2 3.76Å; F245-F298 HydrophobicContact CD2-CG 4.25Å; F245-F298 AromaticContact CE2-CD2 3.81Å; F245-F298 HydrophobicContact CE2-CD2 3.81Å; F245-F298 HydrophobicContact CG-CB 3.75Å; F245-F298 HydrophobicContact CG-CD2 4.43Å
246C98.8Very high94.2Very high17 Ų1746.2 Ų46.212%0.11521%0.208CC..EExtended strand (participates in β ladder)trans-119.3138.2176.8-700000109.4A182 S183 H187 V189A182-C246 HydrophobicContact CB-CB 4.41Å; S183-C246 VanDerWaalsContact O-CB 3.31Å; S183-C246 WeakPolarHBondContact O-CB 3.36Å; H187-C246 PolarHBondContact NE2-SG 2.84Å; V189-C246 WeakPolarHBondContact CG2-SG 3.42Å
247G98.6Very high94.9Very high2 Ų244.8 Ų44.82%0.02120%0.197CC..  trans-91.5-170.9148.900000110.2G184 Y249 F250 G300G184-G247 WeakPolarHBondContact CA-O 3.47Å; G247-Y249 PolarHBondContact O-N 3.12Å; G247-F250 PolarHBondContact N-O 2.67Å; G247-G300 WeakPolarHBondContact CA-O 3.31Å
248A98.6Very high95.9Very high4 Ų435.7 Ų35.73%0.03318%0.179CC..SBendtrans-57.1-49.918000000112.6N185 G300 G301 Q302N185-A248 PolarHBondContact N-O 3.18Å; N185-A248 WeakPolarHBondContact OD1-CA 3.42Å; N185-A248 WeakPolarHBondContact OD1-CB 3.4Å; A248-G300 PolarHBondContact N-O 3.03Å; A248-G301 VanDerWaalsContact CB-O 3.24Å; A248-G301 WeakPolarHBondContact CB-O 3.31Å; A248-G301 PolarHBondContact N-O 3.02Å; A248-Q302 HydrophobicContact CB-CG 4.26Å
249Y98.5Very high96.5Very high55 Ų5531.2 Ų31.222%0.21616%0.158CC..SBendtrans-128.223.6-172.7-52.1-66000113.1N185 Q207 G247 G264 L265 Q302N185-Y249 HydrophobicContact CB-CD1 4.43Å; N185-Y249 HydrophobicContact CB-CE1 3.92Å; Q207-Y249 WeakPolarHBondContact CB-O 3.4Å; G247-Y249 PolarHBondContact O-N 3.12Å; Y249-G264 WeakPolarHBondContact O-CA 3.45Å; Y249-L265 HydrophobicContact CD2-CD2 3.91Å; Y249-L265 HydrophobicContact CG-CD2 4.32Å; Y249-L265 PolarHBondContact O-N 3.2Å; Y249-Q302 HydrophobicContact CE2-CB 4.21Å; Y249-Q302 HydrophobicContact CE2-CG 4.04Å
250F98.8Very high96.7Very high0 Ų030.2 Ų30.20%015%0.152CC..EExtended strand (participates in β ladder)trans-154161.6-178.954.9-89.9000111.4G247 F252 F263 Q270 L271 G301 T305G247-F250 PolarHBondContact N-O 2.67Å; F250-F252 HydrophobicContact CD2-CD2 4.23Å; F250-F252 AromaticContact CD2-CE2 3.76Å; F250-F252 HydrophobicContact CD2-CE2 3.76Å; F250-F252 HydrophobicContact CD2-CZ 4.28Å; F250-F252 HydrophobicContact CE2-CD2 4.25Å; F250-F252 AromaticContact CE2-CE2 3.55Å; F250-F252 HydrophobicContact CE2-CE2 3.55Å; F250-F252 HydrophobicContact CE2-CZ 4.24Å; F250-F263 CarbonylContact C-O 3.53Å; F250-F263 WeakPolarHBondContact CA-O 3.13Å; F250-F263 WeakPolarHBondContact CB-O 3.42Å; F250-Q270 HydrophobicContact CD1-CG 3.9Å; F250-Q270 HydrophobicContact CE1-CB 4.3Å; F250-Q270 HydrophobicContact CE1-CG 3.54Å; F250-Q270 HydrophobicContact CZ-CB 4.36Å; F250-Q270 HydrophobicContact CZ-CG 4.06Å; F250-L271 HydrophobicContact CB-CD1 4.31Å; F250-L271 HydrophobicContact CB-CD2 3.8Å; F250-L271 HydrophobicContact CB-CG 4.02Å; F250-L271 HydrophobicContact CD2-CD2 3.92Å; F250-L271 HydrophobicContact CG-CD2 4.11Å; F250-L271 HydrophobicContact CG-CG 4.33Å; F250-G301 WeakPolarHBondContact CE1-O 3.22Å; F250-T305 VanDerWaalsContact CE2-OG1 3.24Å; F250-T305 WeakPolarHBondContact CE2-OG1 3.26Å; F250-T305 WeakPolarHBondContact CZ-OG1 3.32Å
251T98.9Very high96.8Very high0 Ų027.2 Ų27.20%014%0.14CC..EExtended strand (participates in β ladder)trans-128.8138.7-178.1-56.30000109.7H187 V189 Q207 F245 G262 F263H187-T251 PolarHBondContact CD2-OG1 3.24Å; H187-T251 PolarHBondContact NE2-OG1 3.27Å; V189-T251 HydrophobicContact CG1-CG2 4.33Å; V189-T251 HydrophobicContact CG2-CG2 3.65Å; Q207-T251 PolarHBondContact O-OG1 3.28Å; F245-T251 WeakPolarHBondContact O-CA 3.28Å; F245-T251 WeakPolarHBondContact O-CG2 3.21Å; T251-G262 VanDerWaalsContact O-CA 3.26Å; T251-G262 WeakPolarHBondContact O-CA 3.2Å; T251-F263 HydrophobicContact CG2-CE1 4.11Å; T251-F263 HydrophobicContact CG2-CE2 3.81Å; T251-F263 HydrophobicContact CG2-CZ 3.48Å; T251-F263 VanDerWaalsContact CG2-CZ 3.48Å; T251-F263 PolarHBondContact N-O 2.9Å; T251-F263 PolarHBondContact O-N 2.9Å; T251-F263 VanDerWaalsContact O-N 3.09Å; T251-F263 WeakPolarHBondContact OG1-CE2 3.31Å
252F98.8Very high96.9Very high1 Ų126.8 Ų26.80%0.00414%0.139CC..EExtended strand (participates in β ladder)trans-109.8146.3164.4-66.6-72000110.5A244 F245 F250 V260 Y261 L271 L285 F288 F298 T305A244-F252 CarbonylContact C-O 3.52Å; A244-F252 WeakPolarHBondContact CA-O 3.43Å; F245-F252 HydrophobicContact CB-CB 4.46Å; F245-F252 PolarHBondContact N-O 2.94Å; F245-F252 PolarHBondContact O-N 2.99Å; F250-F252 HydrophobicContact CD2-CD2 4.23Å; F250-F252 AromaticContact CD2-CE2 3.76Å; F250-F252 HydrophobicContact CD2-CE2 3.76Å; F250-F252 HydrophobicContact CD2-CZ 4.28Å; F250-F252 HydrophobicContact CE2-CD2 4.25Å; F250-F252 AromaticContact CE2-CE2 3.55Å; F250-F252 HydrophobicContact CE2-CE2 3.55Å; F250-F252 HydrophobicContact CE2-CZ 4.24Å; F252-V260 HydrophobicContact CD1-CG1 4.01Å; F252-Y261 CarbonylContact C-O 3.54Å; F252-Y261 VanDerWaalsContact CA-O 3.3Å; F252-Y261 WeakPolarHBondContact CA-O 3.29Å; F252-L271 HydrophobicContact CD1-CD2 4.28Å; F252-L271 HydrophobicContact CE1-CD2 3.67Å; F252-L271 HydrophobicContact CE2-CD2 4.49Å; F252-L271 HydrophobicContact CZ-CD2 3.8Å; F252-L285 HydrophobicContact CD1-CD1 3.81Å; F252-L285 HydrophobicContact CE1-CD1 3.48Å; F252-L285 VanDerWaalsContact CE1-CD1 3.48Å; F252-F288 HydrophobicContact CE1-CE2 4.07Å; F252-F288 HydrophobicContact CE1-CZ 4.42Å; F252-F298 HydrophobicContact CB-CG 4.4Å; F252-F298 HydrophobicContact CD1-CD1 4.49Å; F252-F298 HydrophobicContact CD2-CB 4.08Å; F252-F298 AromaticContact CD2-CD1 3.85Å; F252-F298 HydrophobicContact CD2-CD1 3.85Å; F252-F298 HydrophobicContact CD2-CG 4.19Å; F252-F298 HydrophobicContact CE2-CD1 4.08Å; F252-F298 HydrophobicContact CG-CD1 4.06Å; F252-F298 HydrophobicContact CG-CG 4.38Å; F252-T305 HydrophobicContact CE2-CG2 3.59Å; F252-T305 HydrophobicContact CZ-CG2 3.97Å
253A98.2Very high96.9Very high0 Ų024.4 Ų24.40%012%0.124CC..EExtended strand (participates in β ladder)trans-141.3133.6172.900000110.7L197 F241 D243 Y261L197-A253 HydrophobicContact CD2-CB 3.84Å; F241-A253 HydrophobicContact CD1-CB 3.42Å; F241-A253 VanDerWaalsContact CD1-CB 3.42Å; F241-A253 HydrophobicContact CE1-CB 3.52Å; F241-A253 HydrophobicContact CG-CB 4.03Å; F241-A253 HydrophobicContact CZ-CB 4.19Å; D243-A253 CarbonylContact O-C 3.55Å; D243-A253 WeakPolarHBondContact O-CA 3.22Å; A253-Y261 PolarHBondContact N-O 3.01Å; A253-Y261 PolarHBondContact O-N 2.85Å
254V96.9Very high96.9Very high12 Ų1224.3 Ų24.37%0.07312%0.123CC..EExtended strand (participates in β ladder)trans-101.2121.5-178.4-176.20000108.9F241 T242 D243 F245 F298F241-V254 CarbonylContact C-O 3.55Å; F241-V254 WeakPolarHBondContact CA-O 3.43Å; T242-V254 PolarHBondContact N-O 3.14Å; T242-V254 PolarHBondContact OG1-O 3.49Å; D243-V254 HydrophobicContact CB-CB 4.24Å; D243-V254 HydrophobicContact CB-CG2 4.47Å; D243-V254 PolarHBondContact N-O 2.74Å; D243-V254 PolarHBondContact O-N 2.9Å; F245-V254 HydrophobicContact CE2-CG2 4.1Å; V254-F298 HydrophobicContact CG2-CE2 4.25Å
255S95.3Very high96.9Very high1 Ų124.7 Ų24.71%0.00713%0.125CC..EExtended strand (participates in β ladder)trans-78.4163.6-179.3890000112.6R240 E257 G258 Y259R240-S255 CarbonylContact O-C 3.46Å; R240-S255 VanDerWaalsContact O-CA 3.24Å; R240-S255 WeakPolarHBondContact O-CA 3.24Å; S255-E257 VanDerWaalsContact CB-OE2 3.28Å; S255-E257 WeakPolarHBondContact CB-OE2 3.49Å; S255-E257 PolarHBondContact O-N 3.01Å; S255-E257 PolarHBondContact OG-N 2.87Å; S255-E257 PolarHBondContact OG-OE2 3.36Å; S255-G258 WeakPolarHBondContact O-CA 3.4Å; S255-G258 PolarHBondContact O-N 3.23Å; S255-Y259 PolarHBondContact N-O 3.3Å; S255-Y259 PolarHBondContact OG-N 2.78Å
256K92.5Very high96.9Very high133 Ų13324 Ų2458%0.57812%0.122SC*.THydrogen-bonded Turntrans-58.2-26.1173.6-74.9-171.5179.9-176.50113.3R240 T242 G258R240-K256 HydrophobicContact CB-CD 3.8Å; R240-K256 HydrophobicContact CB-CG 4.03Å; R240-K256 PolarHBondContact O-N 2.86Å; T242-K256 HydrophobicContact CG2-CB 4.29Å; T242-K256 HydrophobicContact CG2-CG 3.59Å; K256-G258 VanDerWaalsContact C-N 3.26Å
257E90.6Very high96.8Very high102 Ų10226.2 Ų26.248%0.47713%0.133SC..THydrogen-bonded Turntrans-83.82.2175.2-53.678.9-172.600113.2S255 Y259S255-E257 VanDerWaalsContact CB-OE2 3.28Å; S255-E257 WeakPolarHBondContact CB-OE2 3.49Å; S255-E257 PolarHBondContact O-N 3.01Å; S255-E257 PolarHBondContact OG-N 2.87Å; S255-E257 PolarHBondContact OG-OE2 3.36Å; E257-Y259 VanDerWaalsContact C-N 3.34Å; E257-Y259 HydrophobicContact CB-CD2 3.72Å; E257-Y259 HydrophobicContact CB-CE2 3.68Å; E257-Y259 HydrophobicContact CG-CE2 4.41Å
258G90.7Very high96.8Very high51 Ų5128.8 Ų28.853%0.52614%0.143SC..SBendtrans79.811-179.500000114.5S255 K256S255-G258 WeakPolarHBondContact O-CA 3.4Å; S255-G258 PolarHBondContact O-N 3.23Å; K256-G258 VanDerWaalsContact C-N 3.26Å
259Y93.6Very high96.8Very high82 Ų8230.3 Ų30.332%0.32215%0.149SC..  trans-81.6135.7176.3-60.5-52.2000111.3S255 E257 K284S255-Y259 PolarHBondContact N-O 3.3Å; S255-Y259 PolarHBondContact OG-N 2.78Å; E257-Y259 VanDerWaalsContact C-N 3.34Å; E257-Y259 HydrophobicContact CB-CD2 3.72Å; E257-Y259 HydrophobicContact CB-CE2 3.68Å; E257-Y259 HydrophobicContact CG-CE2 4.41Å; Y259-K284 VanDerWaalsContact CD1-NZ 3.27Å; Y259-K284 VanDerWaalsContact CD2-NZ 3.3Å; Y259-K284 HydrophobicContact CG-CD 4.35Å
260V96.8Very high96.8Very high5 Ų527.7 Ų27.73%0.0314%0.138CC..EExtended strand (participates in β ladder)trans-88.3123.3172.6-173.30000109.1F252 L285 F288 W295 F298F252-V260 HydrophobicContact CD1-CG1 4.01Å; V260-L285 HydrophobicContact CG1-CD1 4.33Å; V260-L285 PolarHBondContact O-N 2.79Å; V260-F288 HydrophobicContact CB-CB 3.91Å; V260-F288 HydrophobicContact CB-CD2 4.29Å; V260-F288 HydrophobicContact CB-CG 4.24Å; V260-F288 HydrophobicContact CG1-CB 4.5Å; V260-F288 HydrophobicContact CG1-CD2 4.07Å; V260-F288 HydrophobicContact CG1-CG 4.29Å; V260-F288 HydrophobicContact CG2-CB 3.78Å; V260-F288 HydrophobicContact CG2-CG 4.27Å; V260-W295 HydrophobicContact CG2-CG 4.44Å; V260-F298 HydrophobicContact CG1-CE1 4.27Å; V260-F298 HydrophobicContact CG1-CE2 4.46Å; V260-F298 HydrophobicContact CG1-CZ 3.88Å; V260-F298 HydrophobicContact CG2-CE2 4.37Å; V260-F298 HydrophobicContact CG2-CZ 3.92Å
261Y97.6Very high96.7Very high29 Ų2927.7 Ų27.711%0.11414%0.138CC..EExtended strand (participates in β ladder)trans-106.7144.3170.1-71.8-97.5000109.5L235 V239 F241 F252 A253 P282 V283 K284L235-Y261 HydrophobicContact CD2-CD1 3.51Å; L235-Y261 HydrophobicContact CD2-CE1 3.34Å; L235-Y261 HydrophobicContact CD2-CG 4.2Å; V239-Y261 HydrophobicContact CG1-CE2 4.09Å; F241-Y261 AromaticContact CE1-CD2 3.86Å; F241-Y261 HydrophobicContact CE1-CD2 3.86Å; F241-Y261 HydrophobicContact CE1-CG 4.21Å; F252-Y261 CarbonylContact C-O 3.54Å; F252-Y261 VanDerWaalsContact CA-O 3.3Å; F252-Y261 WeakPolarHBondContact CA-O 3.29Å; A253-Y261 PolarHBondContact N-O 3.01Å; A253-Y261 PolarHBondContact O-N 2.85Å; Y261-P282 HydrophobicContact CD1-CB 4.24Å; Y261-V283 CarbonylContact C-O 3.59Å; Y261-V283 VanDerWaalsContact CA-O 3.23Å; Y261-V283 WeakPolarHBondContact CA-O 3.49Å; Y261-K284 HydrophobicContact CD1-CB 4.12Å; Y261-K284 HydrophobicContact CE1-CB 3.74Å; Y261-K284 HydrophobicContact CE1-CG 4.41Å
262G98.1Very high96.6Very high0 Ų027.9 Ų27.90%014%0.141CC..EExtended strand (participates in β ladder)trans-140.3152.5174.100000113.1T251 V283T251-G262 VanDerWaalsContact O-CA 3.26Å; T251-G262 WeakPolarHBondContact O-CA 3.2Å; G262-V283 PolarHBondContact N-O 2.71Å; G262-V283 PolarHBondContact O-N 3.14Å
263F98.5Very high96.5Very high0 Ų028.6 Ų28.60%015%0.145CC..EExtended strand (participates in β ladder)trans-156.7153.9176.347.7-89.8000110.4L197 T199 Q207 V233 F250 T251 C279 P282L197-F263 HydrophobicContact CD2-CE1 4.21Å; L197-F263 HydrophobicContact CD2-CZ 3.97Å; T199-F263 HydrophobicContact CG2-CE2 4.36Å; T199-F263 HydrophobicContact CG2-CZ 4.41Å; Q207-F263 VanDerWaalsContact O-CE2 3.29Å; Q207-F263 WeakPolarHBondContact O-CE2 3.12Å; V233-F263 HydrophobicContact CG2-CZ 4.42Å; F250-F263 CarbonylContact C-O 3.53Å; F250-F263 WeakPolarHBondContact CA-O 3.13Å; F250-F263 WeakPolarHBondContact CB-O 3.42Å; T251-F263 HydrophobicContact CG2-CE1 4.11Å; T251-F263 HydrophobicContact CG2-CE2 3.81Å; T251-F263 HydrophobicContact CG2-CZ 3.48Å; T251-F263 VanDerWaalsContact CG2-CZ 3.48Å; T251-F263 PolarHBondContact N-O 2.9Å; T251-F263 PolarHBondContact O-N 2.9Å; T251-F263 VanDerWaalsContact O-N 3.09Å; T251-F263 WeakPolarHBondContact OG1-CE2 3.31Å; F263-C279 CarbonylContact C-O 3.52Å; F263-C279 WeakPolarHBondContact CA-O 3.48Å; F263-C279 HydrophobicContact CB-CB 4.48Å; F263-C279 WeakPolarHBondContact CB-O 3.43Å; F263-P282 HydrophobicContact CD1-CB 3.72Å; F263-P282 HydrophobicContact CD1-CG 3.78Å; F263-P282 HydrophobicContact CE1-CB 4.2Å; F263-P282 HydrophobicContact CE1-CG 4.06Å; F263-P282 HydrophobicContact CG-CG 4.5Å
264G98.3Very high96.2Very high0 Ų034.6 Ų34.60%017%0.173CC..EExtended strand (participates in β ladder)trans118.2-156.7-172.100000114.3Q205 Y249 L271 C279Q205-G264 CarbonylContact O-C 3.53Å; Q205-G264 WeakPolarHBondContact O-CA 3.37Å; Y249-G264 WeakPolarHBondContact O-CA 3.45Å; G264-L271 WeakPolarHBondContact O-CD1 3.21Å; G264-C279 PolarHBondContact N-O 3.2Å; G264-C279 PolarHBondContact O-N 2.87Å
265L97.9Very high96Very high10 Ų1038.4 Ų38.45%0.05219%0.193CC..  trans-66.5134.1-178.8-172.761.2000111.9Q205 Y249 N267 L271 M278Q205-L265 HydrophobicContact CB-CB 4.01Å; Q205-L265 PolarHBondContact O-N 3.13Å; Y249-L265 HydrophobicContact CD2-CD2 3.91Å; Y249-L265 HydrophobicContact CG-CD2 4.32Å; Y249-L265 PolarHBondContact O-N 3.2Å; L265-N267 HydrophobicContact CD1-CB 3.92Å; L265-N267 WeakPolarHBondContact CD2-OD1 3.31Å; L265-N267 HydrophobicContact CG-CB 4.48Å; L265-N267 WeakPolarHBondContact CG-OD1 3.41Å; L265-L271 WeakPolarHBondContact O-CG 3.32Å; L265-M278 HydrophobicContact CD1-CG 4.08Å
266S98Very high96Very high0 Ų041.8 Ų41.80%021%0.214CC..  trans-139.128.6172.9-153.60000112.9Y268 H269 L271 T273 T276S266-Y268 PolarHBondContact O-N 2.62Å; S266-Y268 VanDerWaalsContact O-N 3.07Å; S266-H269 PolarHBondContact O-N 2.86Å; S266-L271 PolarHBondContact OG-N 2.91Å; S266-T273 WeakPolarHBondContact CB-OG1 3.24Å; S266-T273 PolarHBondContact OG-OG1 2.93Å; S266-T276 CarbonylContact O-C 3.6Å; S266-T276 WeakPolarHBondContact O-CA 3.32Å
267N97.9Very high96.1Very high64 Ų6439 Ų3934%0.34221%0.211SC..THydrogen-bonded Turntrans-62.9-16.4-175.263.1-23.2000114.7L265 Q270 T276L265-N267 HydrophobicContact CD1-CB 3.92Å; L265-N267 WeakPolarHBondContact CD2-OD1 3.31Å; L265-N267 HydrophobicContact CG-CB 4.48Å; L265-N267 WeakPolarHBondContact CG-OD1 3.41Å; N267-Q270 PolarHBondContact OD1-NE2 3.41Å; N267-T276 WeakPolarHBondContact O-CG2 3.49Å
268Y98.4Very high96.4Very high56 Ų5637 Ų3722%0.2220%0.203CC..THydrogen-bonded Turntrans-124.727.4173.4-71.2-79.7000111.4S266 Q270 H303 G318 R319 E333S266-Y268 PolarHBondContact O-N 2.62Å; S266-Y268 VanDerWaalsContact O-N 3.07Å; Y268-Q270 VanDerWaalsContact C-OE1 3.29Å; Y268-Q270 PolarHBondContact O-N 3.41Å; Y268-Q270 VanDerWaalsContact O-N 3.14Å; Y268-H303 HydrophobicContact CD2-CB 3.83Å; Y268-H303 AromaticContact CD2-CG 3.7Å; Y268-H303 AromaticContact CD2-ND1 3.6Å; Y268-H303 AromaticContact CE2-ND1 3.97Å; Y268-H303 HydrophobicContact CG-CB 4.31Å; Y268-G318 CarbonylContact O-C 2.97Å; Y268-G318 VanDerWaalsContact O-C 3.23Å; Y268-G318 WeakPolarHBondContact O-CA 3.35Å; Y268-R319 HydrophobicContact CD1-CB 3.83Å; Y268-R319 HydrophobicContact CD1-CG 3.74Å; Y268-R319 HydrophobicContact CD2-CB 4.43Å; Y268-R319 HydrophobicContact CE1-CG 3.94Å; Y268-R319 HydrophobicContact CG-CB 3.78Å; Y268-R319 HydrophobicContact CG-CG 4.11Å; Y268-E333 WeakPolarHBondContact CD1-OE1 3.44Å; Y268-E333 WeakPolarHBondContact CE1-OE1 3.19Å
269H98.1Very high96.6Very high35 Ų3535.4 Ų35.416%0.16218%0.183CC..SBendtrans62.515.3-178.2-51.2-83.4000115.9S266 L271 G272 T273 Q274 T276 L317 E333S266-H269 PolarHBondContact O-N 2.86Å; H269-L271 PolarHBondContact O-N 3.27Å; H269-L271 VanDerWaalsContact O-N 3.08Å; H269-G272 WeakPolarHBondContact O-CA 3.47Å; H269-G272 PolarHBondContact O-N 2.83Å; H269-T273 PolarHBondContact ND1-O 3.35Å; H269-Q274 PolarHBondContact CE1-O 3.21Å; H269-T276 WeakPolarHBondContact NE2-CG2 3.27Å; H269-L317 WeakPolarHBondContact O-CD1 3.23Å; H269-E333 IonicContact CD2-OE2 3.02Å
270Q98.3Very high96.7Very high0 Ų032.6 Ų32.60%017%0.172CC..THydrogen-bonded Turntrans-64.1-15.3-176.465.6-88.143.200114.7F250 N267 Y268 Q302 T305F250-Q270 HydrophobicContact CD1-CG 3.9Å; F250-Q270 HydrophobicContact CE1-CB 4.3Å; F250-Q270 HydrophobicContact CE1-CG 3.54Å; F250-Q270 HydrophobicContact CZ-CB 4.36Å; F250-Q270 HydrophobicContact CZ-CG 4.06Å; N267-Q270 PolarHBondContact OD1-NE2 3.41Å; Y268-Q270 VanDerWaalsContact C-OE1 3.29Å; Y268-Q270 PolarHBondContact O-N 3.41Å; Y268-Q270 VanDerWaalsContact O-N 3.14Å; Q270-Q302 PolarHBondContact NE2-O 3.05Å; Q270-T305 WeakPolarHBondContact O-CB 3.27Å; Q270-T305 PolarHBondContact O-OG1 2.99Å
271L97.6Very high96.7Very high0 Ų035.1 Ų35.10%019%0.194CC..THydrogen-bonded Turntrans-84.2-8168.8-84.4176.1000113.9F250 F252 G264 L265 S266 H269 T273 C279 L285F250-L271 HydrophobicContact CB-CD1 4.31Å; F250-L271 HydrophobicContact CB-CD2 3.8Å; F250-L271 HydrophobicContact CB-CG 4.02Å; F250-L271 HydrophobicContact CD2-CD2 3.92Å; F250-L271 HydrophobicContact CG-CD2 4.11Å; F250-L271 HydrophobicContact CG-CG 4.33Å; F252-L271 HydrophobicContact CD1-CD2 4.28Å; F252-L271 HydrophobicContact CE1-CD2 3.67Å; F252-L271 HydrophobicContact CE2-CD2 4.49Å; F252-L271 HydrophobicContact CZ-CD2 3.8Å; G264-L271 WeakPolarHBondContact O-CD1 3.21Å; L265-L271 WeakPolarHBondContact O-CG 3.32Å; S266-L271 PolarHBondContact OG-N 2.91Å; H269-L271 PolarHBondContact O-N 3.27Å; H269-L271 VanDerWaalsContact O-N 3.08Å; L271-T273 HydrophobicContact CB-CG2 4.28Å; L271-C279 HydrophobicContact CD1-CB 4.18Å; L271-L285 WeakPolarHBondContact O-CD1 3.38Å; L271-L285 WeakPolarHBondContact O-CD2 3.5Å
272G97.1Very high96.6Very high5 Ų535 Ų355%0.05220%0.197CC..  trans79.720.9-173.600000113.6H269 C287 L317 S335H269-G272 WeakPolarHBondContact O-CA 3.47Å; H269-G272 PolarHBondContact O-N 2.83Å; G272-C287 PolarHBondContact O-SG 3.34Å; G272-L317 VanDerWaalsContact CA-CD1 3.41Å; G272-L317 VanDerWaalsContact N-CD1 3.27Å; G272-S335 CarbonylContact C-O 3.58Å; G272-S335 VanDerWaalsContact CA-O 3.27Å; G272-S335 WeakPolarHBondContact CA-O 3.4Å
273T95.9Very high96.5Very high16 Ų1637.8 Ų37.810%0.09821%0.214CC..  trans-85.5142.6173.756.50000110.7S266 H269 L271 N275 L285S266-T273 WeakPolarHBondContact CB-OG1 3.24Å; S266-T273 PolarHBondContact OG-OG1 2.93Å; H269-T273 PolarHBondContact ND1-O 3.35Å; L271-T273 HydrophobicContact CB-CG2 4.28Å; T273-N275 VanDerWaalsContact C-N 3.25Å; T273-N275 PolarHBondContact O-N 2.85Å; T273-N275 PolarHBondContact OG1-O 3.32Å; T273-L285 HydrophobicContact CG2-CD2 3.89Å
274Q91.6Very high96.4Very high125 Ų12541.7 Ų41.758%0.58423%0.231SC*.SBendtrans-69.1-23179.4-64.3-63.7-22.300113.4H269 E336H269-Q274 PolarHBondContact CE1-O 3.21Å; Q274-E336 PolarHBondContact NE2-OE1 3.49Å
275N92.8Very high96.3Very high92 Ų9242.1 Ų42.149%0.49223%0.233SC..SBendtrans-107.7167.817167.155000110.7T273 S277T273-N275 VanDerWaalsContact C-N 3.25Å; T273-N275 PolarHBondContact O-N 2.85Å; T273-N275 PolarHBondContact OG1-O 3.32Å; N275-S277 WeakPolarHBondContact OD1-CB 3Å; N275-S277 PolarHBondContact OD1-N 3.43Å; N275-S277 VanDerWaalsContact OD1-N 3.07Å
276T96.1Very high96.1Very high73 Ų7346.8 Ų46.845%0.44826%0.262SS..  trans-9611.6-177.553.60000114S266 N267 H269S266-T276 CarbonylContact O-C 3.6Å; S266-T276 WeakPolarHBondContact O-CA 3.32Å; N267-T276 WeakPolarHBondContact O-CG2 3.49Å; H269-T276 WeakPolarHBondContact NE2-CG2 3.27Å
277S95.2Very high95.9Very high74 Ų7448.1 Ų48.152%0.51727%0.271SS..  trans-74.5141.9179.6-59.30000111.4N275N275-S277 WeakPolarHBondContact OD1-CB 3Å; N275-S277 PolarHBondContact OD1-N 3.43Å; N275-S277 VanDerWaalsContact OD1-N 3.07Å
278M95.2Very high95.7Very high61 Ų6145.5 Ų45.530%0.326%0.257SS..  trans-63.8144173.4-66.4170.8-76.900111.1Q205 L265 F280Q205-M278 PolarHBondContact OE1-SD 2.91Å; L265-M278 HydrophobicContact CD1-CG 4.08Å; M278-F280 HydrophobicContact CB-CD2 4.19Å; M278-F280 HydrophobicContact CB-CE2 3.58Å; M278-F280 HydrophobicContact CB-CZ 4.16Å; M278-F280 HydrophobicContact CE-CE2 4.21Å; M278-F280 HydrophobicContact CE-CZ 4.24Å; M278-F280 HydrophobicContact SD-CE2 4.27Å; M278-F280 HydrophobicContact SD-CZ 4.04Å
279C96.5Very high95.1Very high16 Ų1651.5 Ų51.511%0.10828%0.279CS..EExtended strand (participates in β ladder)trans-10797.7-179.4-710000110.3F263 G264 L271 A281 V283F263-C279 CarbonylContact C-O 3.52Å; F263-C279 WeakPolarHBondContact CA-O 3.48Å; F263-C279 HydrophobicContact CB-CB 4.48Å; F263-C279 WeakPolarHBondContact CB-O 3.43Å; G264-C279 PolarHBondContact N-O 3.2Å; G264-C279 PolarHBondContact O-N 2.87Å; L271-C279 HydrophobicContact CD1-CB 4.18Å; C279-A281 VanDerWaalsContact C-N 3.27Å; C279-A281 PolarHBondContact O-N 2.8Å; C279-V283 HydrophobicContact CB-CG2 4.13Å
280F95.6Very high94Very high23 Ų2353.7 Ų53.710%0.10129%0.292CS..EExtended strand (participates in β ladder)trans-81.1-4.2179.9-70.2-89.8000114.6G209 E213 M278G209-F280 CarbonylContact C-O 3.6Å; G209-F280 WeakPolarHBondContact CA-O 3.35Å; E213-F280 HydrophobicContact CB-CD1 4.16Å; E213-F280 HydrophobicContact CB-CD2 3.6Å; E213-F280 HydrophobicContact CB-CE1 4.18Å; E213-F280 HydrophobicContact CB-CE2 3.59Å; E213-F280 HydrophobicContact CB-CG 3.89Å; E213-F280 HydrophobicContact CB-CZ 3.91Å; E213-F280 HydrophobicContact CG-CD2 4.1Å; E213-F280 HydrophobicContact CG-CE1 4.35Å; E213-F280 HydrophobicContact CG-CE2 3.54Å; E213-F280 HydrophobicContact CG-CZ 3.7Å; M278-F280 HydrophobicContact CB-CD2 4.19Å; M278-F280 HydrophobicContact CB-CE2 3.58Å; M278-F280 HydrophobicContact CB-CZ 4.16Å; M278-F280 HydrophobicContact CE-CE2 4.21Å; M278-F280 HydrophobicContact CE-CZ 4.24Å; M278-F280 HydrophobicContact SD-CE2 4.27Å; M278-F280 HydrophobicContact SD-CZ 4.04Å
281A95.6Very high92.9Very high59 Ų5959.6 Ų59.649%0.48833%0.333SS..EExtended strand (participates in β ladder)trans-135.5156.7174.800000109.3C279 V283C279-A281 VanDerWaalsContact C-N 3.27Å; C279-A281 PolarHBondContact O-N 2.8Å; A281-V283 PolarHBondContact O-N 3.43Å
282P96.8Very high92Very high25 Ų2564.4 Ų64.416%0.16236%0.363CS..EExtended strand (participates in β ladder)trans-68119.8-175.7-20.337.3000110.4G209 V233 L235 Y261 F263G209-P282 VanDerWaalsContact O-CD 3.26Å; G209-P282 WeakPolarHBondContact O-CD 3.36Å; V233-P282 HydrophobicContact CG1-CG 3.4Å; V233-P282 VanDerWaalsContact CG1-CG 3.4Å; L235-P282 HydrophobicContact CD1-CB 3.92Å; L235-P282 HydrophobicContact CD1-CG 3.64Å; L235-P282 HydrophobicContact CD2-CB 3.97Å; L235-P282 HydrophobicContact CG-CB 4.06Å; L235-P282 HydrophobicContact CG-CG 4.07Å; Y261-P282 HydrophobicContact CD1-CB 4.24Å; F263-P282 HydrophobicContact CD1-CB 3.72Å; F263-P282 HydrophobicContact CD1-CG 3.78Å; F263-P282 HydrophobicContact CE1-CB 4.2Å; F263-P282 HydrophobicContact CE1-CG 4.06Å; F263-P282 HydrophobicContact CG-CG 4.5Å
283V95.9Very high91.4Very high60 Ų6065.2 Ų65.236%0.36437%0.366SS..EExtended strand (participates in β ladder)trans-100133.7176.7-178.10000108.4Y261 G262 C279 A281 L285Y261-V283 CarbonylContact C-O 3.59Å; Y261-V283 VanDerWaalsContact CA-O 3.23Å; Y261-V283 WeakPolarHBondContact CA-O 3.49Å; G262-V283 PolarHBondContact N-O 2.71Å; G262-V283 PolarHBondContact O-N 3.14Å; C279-V283 HydrophobicContact CB-CG2 4.13Å; A281-V283 PolarHBondContact O-N 3.43Å; V283-L285 HydrophobicContact CB-CD2 4.49Å; V283-L285 HydrophobicContact CG1-CD2 4.36Å; V283-L285 PolarHBondContact O-N 2.85Å
284K95.6Very high91.2Very high81 Ų8167 Ų6735%0.35238%0.383SS..EExtended strand (participates in β ladder)trans-75.3112.9170.4-178.2174.7176.6167.60108.6Y259 Y261 T286Y259-K284 VanDerWaalsContact CD1-NZ 3.27Å; Y259-K284 VanDerWaalsContact CD2-NZ 3.3Å; Y259-K284 HydrophobicContact CG-CD 4.35Å; Y261-K284 HydrophobicContact CD1-CB 4.12Å; Y261-K284 HydrophobicContact CE1-CB 3.74Å; Y261-K284 HydrophobicContact CE1-CG 4.41Å; K284-T286 PolarHBondContact O-N 3.46Å
285L96.3Very high91.4Very high9 Ų962.4 Ų62.45%0.04736%0.36CS..  trans-88.3110.9-170.8-62.3169000110.6F252 V260 L271 T273 V283 F288F252-L285 HydrophobicContact CD1-CD1 3.81Å; F252-L285 HydrophobicContact CE1-CD1 3.48Å; F252-L285 VanDerWaalsContact CE1-CD1 3.48Å; V260-L285 HydrophobicContact CG1-CD1 4.33Å; V260-L285 PolarHBondContact O-N 2.79Å; L271-L285 WeakPolarHBondContact O-CD1 3.38Å; L271-L285 WeakPolarHBondContact O-CD2 3.5Å; T273-L285 HydrophobicContact CG2-CD2 3.89Å; V283-L285 HydrophobicContact CB-CD2 4.49Å; V283-L285 HydrophobicContact CG1-CD2 4.36Å; V283-L285 PolarHBondContact O-N 2.85Å; L285-F288 HydrophobicContact CB-CD2 3.69Å; L285-F288 HydrophobicContact CB-CE2 4.27Å; L285-F288 HydrophobicContact CD1-CD2 4.01Å; L285-F288 HydrophobicContact CD1-CE2 3.9Å
286T93.4Very high91.5Very high108 Ų10861 Ų6166%0.66335%0.354SS*.G310 helixtrans-78.4-21.1-174.151.10000113.7K284 F288 R289K284-T286 PolarHBondContact O-N 3.46Å; T286-F288 PolarHBondContact O-N 2.91Å; T286-R289 VanDerWaalsContact O-CB 3.22Å; T286-R289 WeakPolarHBondContact O-CB 3.15Å; T286-R289 PolarHBondContact O-N 2.63Å
287C94.4Very high91.6Very high29 Ų2959.2 Ų59.220%0.19634%0.342CS..G310 helixtrans-63.3-25.5174.957.30000112.7G272 R289 E336G272-C287 PolarHBondContact O-SG 3.34Å; C287-R289 VanDerWaalsContact C-N 3.34Å; C287-E336 HydrophobicContact CB-CG 4.23Å
288F93.8Very high91.8Very high8 Ų856 Ų564%0.03532%0.319CS..G310 helixtrans-87.9-0.6173.3-63.5-73.3000113.1F252 V260 L285 T286 N290 W295 F298 C307 L317 P337F252-F288 HydrophobicContact CE1-CE2 4.07Å; F252-F288 HydrophobicContact CE1-CZ 4.42Å; V260-F288 HydrophobicContact CB-CB 3.91Å; V260-F288 HydrophobicContact CB-CD2 4.29Å; V260-F288 HydrophobicContact CB-CG 4.24Å; V260-F288 HydrophobicContact CG1-CB 4.5Å; V260-F288 HydrophobicContact CG1-CD2 4.07Å; V260-F288 HydrophobicContact CG1-CG 4.29Å; V260-F288 HydrophobicContact CG2-CB 3.78Å; V260-F288 HydrophobicContact CG2-CG 4.27Å; L285-F288 HydrophobicContact CB-CD2 3.69Å; L285-F288 HydrophobicContact CB-CE2 4.27Å; L285-F288 HydrophobicContact CD1-CD2 4.01Å; L285-F288 HydrophobicContact CD1-CE2 3.9Å; T286-F288 PolarHBondContact O-N 2.91Å; F288-N290 PolarHBondContact O-N 3.27Å; F288-W295 HydrophobicContact CD1-CD2 4.01Å; F288-W295 AromaticContact CD1-CE2 3.61Å; F288-W295 HydrophobicContact CD1-CG 4.46Å; F288-W295 HydrophobicContact CD1-CH2 4.32Å; F288-W295 AromaticContact CD1-CZ2 3.78Å; F288-W295 HydrophobicContact CD1-CZ2 3.78Å; F288-W295 AromaticContact CD1-NE1 3.85Å; F288-W295 PolarHBondContact O-NE1 3.38Å; F288-F298 AromaticContact CD1-CE1 3.9Å; F288-F298 HydrophobicContact CD1-CE1 3.9Å; F288-F298 HydrophobicContact CD1-CZ 4.08Å; F288-F298 AromaticContact CE1-CE1 3.53Å; F288-F298 HydrophobicContact CE1-CE1 3.53Å; F288-F298 HydrophobicContact CE1-CZ 4.18Å; F288-F298 HydrophobicContact CE2-CE1 4.46Å; F288-F298 AromaticContact CZ-CE1 3.85Å; F288-F298 HydrophobicContact CZ-CE1 3.85Å; F288-C307 HydrophobicContact CE1-CB 4.29Å; F288-L317 HydrophobicContact CE1-CD2 4.29Å; F288-L317 HydrophobicContact CZ-CD1 4.34Å; F288-L317 HydrophobicContact CZ-CD2 3.94Å; F288-P337 HydrophobicContact CD1-CG 3.61Å; F288-P337 HydrophobicContact CE1-CB 4.25Å; F288-P337 HydrophobicContact CE1-CG 3.29Å; F288-P337 HydrophobicContact CG-CG 4.43Å; F288-P337 HydrophobicContact CZ-CG 3.9Å
289R84.9Confident92Very high183 Ų18354 Ų5469%0.69131%0.311SS*.  trans-83102.2179.2-172.2-175.1-177.7-169.2-1.3109.6T286 C287T286-R289 VanDerWaalsContact O-CB 3.22Å; T286-R289 WeakPolarHBondContact O-CB 3.15Å; T286-R289 PolarHBondContact O-N 2.63Å; C287-R289 VanDerWaalsContact C-N 3.34Å
290N75.4Confident92Very high81 Ų8153.7 Ų53.743%0.43331%0.311SS..  trans-132.4141.3170.3-168.4-11.9000110.3F288 T292 T293F288-N290 PolarHBondContact O-N 3.27Å; N290-T292 PolarHBondContact ND2-OG1 3.13Å; N290-T292 PolarHBondContact O-N 3.4Å; N290-T292 PolarHBondContact OD1-N 2.94Å; N290-T292 VanDerWaalsContact OD1-N 3.11Å; N290-T292 PolarHBondContact OD1-OG1 2.9Å; N290-T292 VanDerWaalsContact OD1-OG1 3.13Å; N290-T293 PolarHBondContact ND2-OG1 3.28Å
291S75.1Confident92.2Very high124 Ų12452.7 Ų52.787%0.86731%0.307SS*.SBendtrans-70.8-19.5174.948.60000113.4
292T79.4Confident92.3Very high101 Ų10152.6 Ų52.662%0.6230%0.296SS*.SBendtrans-109.4-11.3-175.460.40000114.2N290N290-T292 PolarHBondContact ND2-OG1 3.13Å; N290-T292 PolarHBondContact O-N 3.4Å; N290-T292 PolarHBondContact OD1-N 2.94Å; N290-T292 VanDerWaalsContact OD1-N 3.11Å; N290-T292 PolarHBondContact OD1-OG1 2.9Å; N290-T292 VanDerWaalsContact OD1-OG1 3.13Å
293T84.6Confident92.4Very high21 Ų2152.9 Ų52.913%0.12930%0.295CS..  trans-112.2122.9-174.3-50.60000109.9N290 W295 D309N290-T293 PolarHBondContact ND2-OG1 3.28Å; T293-W295 HydrophobicContact CG2-CD2 4.14Å; T293-W295 HydrophobicContact CG2-CE3 4.4Å; T293-W295 HydrophobicContact CG2-CH2 4.15Å; T293-W295 HydrophobicContact CG2-CZ2 3.85Å; T293-W295 HydrophobicContact CG2-CZ3 4.4Å; T293-D309 HydrophobicContact CG2-CB 3.43Å; T293-D309 VanDerWaalsContact CG2-CB 3.43Å
294A91.5Very high92.6Very high53 Ų5350 Ų5044%0.43828%0.278SS..  trans-105.1109.217200000109.5V296 D309 A310A294-V296 PolarHBondContact O-N 3.28Å; A294-D309 CarbonylContact O-C 3.52Å; A294-D309 VanDerWaalsContact O-CA 3.3Å; A294-D309 WeakPolarHBondContact O-CA 3.26Å; A294-A310 HydrophobicContact CB-CB 4.02Å; A294-A310 PolarHBondContact O-N 3.1Å
295W95.1Very high92.7Very high30 Ų3046.2 Ų46.211%0.11426%0.261CS..EExtended strand (participates in β ladder)trans-73.7123.4179.2-56.7102.4000111.2V260 F288 T293 F298 C307 Y315 P337V260-W295 HydrophobicContact CG2-CG 4.44Å; F288-W295 HydrophobicContact CD1-CD2 4.01Å; F288-W295 AromaticContact CD1-CE2 3.61Å; F288-W295 HydrophobicContact CD1-CG 4.46Å; F288-W295 HydrophobicContact CD1-CH2 4.32Å; F288-W295 AromaticContact CD1-CZ2 3.78Å; F288-W295 HydrophobicContact CD1-CZ2 3.78Å; F288-W295 AromaticContact CD1-NE1 3.85Å; F288-W295 PolarHBondContact O-NE1 3.38Å; T293-W295 HydrophobicContact CG2-CD2 4.14Å; T293-W295 HydrophobicContact CG2-CE3 4.4Å; T293-W295 HydrophobicContact CG2-CH2 4.15Å; T293-W295 HydrophobicContact CG2-CZ2 3.85Å; T293-W295 HydrophobicContact CG2-CZ3 4.4Å; W295-F298 HydrophobicContact CB-CE2 3.59Å; W295-F298 HydrophobicContact CB-CZ 3.67Å; W295-F298 HydrophobicContact CD2-CZ 4.29Å; W295-F298 HydrophobicContact CG-CE2 4.34Å; W295-F298 AromaticContact CG-CZ 3.91Å; W295-F298 HydrophobicContact CG-CZ 3.91Å; W295-C307 HydrophobicContact CE3-CB 3.79Å; W295-C307 HydrophobicContact CZ3-CB 3.75Å; W295-C307 VanDerWaalsContact CZ3-SG 3.54Å; W295-Y315 HydrophobicContact CH2-CD1 4.15Å; W295-Y315 AromaticContact CH2-CD2 3.77Å; W295-Y315 HydrophobicContact CH2-CD2 3.77Å; W295-Y315 HydrophobicContact CH2-CE1 4.39Å; W295-Y315 HydrophobicContact CH2-CE2 4.02Å; W295-Y315 AromaticContact CH2-CG 3.85Å; W295-Y315 HydrophobicContact CH2-CG 3.85Å; W295-Y315 AromaticContact CZ3-CD2 3.53Å; W295-Y315 HydrophobicContact CZ3-CD2 3.53Å; W295-Y315 AromaticContact CZ3-CE2 3.98Å; W295-Y315 HydrophobicContact CZ3-CE2 3.98Å; W295-Y315 AromaticContact CZ3-CG 3.94Å; W295-Y315 HydrophobicContact CZ3-CG 3.94Å; W295-P337 HydrophobicContact CH2-CB 3.72Å; W295-P337 HydrophobicContact CH2-CG 4.17Å; W295-P337 HydrophobicContact CZ2-CB 4.22Å; W295-P337 HydrophobicContact CZ2-CG 4.23Å
296V95.8Very high92.8Very high61 Ų6145.8 Ų45.837%0.3726%0.259SS..EExtended strand (participates in β ladder)trans-113.6-23.3-174.2-62.30000113.8A294 L308 D309 A310A294-V296 PolarHBondContact O-N 3.28Å; V296-L308 HydrophobicContact CG2-CB 4.3Å; V296-L308 HydrophobicContact CG2-CD2 4.17Å; V296-L308 HydrophobicContact CG2-CG 3.89Å; V296-L308 WeakPolarHBondContact CG2-O 3.12Å; V296-L308 PolarHBondContact N-O 3.09Å; V296-D309 WeakPolarHBondContact CG2-O 3.37Å; V296-A310 HydrophobicContact CG1-CB 3.83Å
297D98Very high93.1Very high37 Ų3740.6 Ų40.620%0.19823%0.228CC..EExtended strand (participates in β ladder)trans-148148-179.8-161.515.2000111.8F245 C307 L308 V349F245-D297 WeakPolarHBondContact CE1-OD1 3.46Å; D297-C307 WeakPolarHBondContact O-CA 2.8Å; D297-L308 HydrophobicContact CB-CB 3.9Å; D297-L308 HydrophobicContact CB-CD2 4.15Å; D297-L308 PolarHBondContact N-O 3.28Å; D297-L308 PolarHBondContact O-N 3.33Å; D297-V349 HydrophobicContact CB-CG2 4.22Å; D297-V349 PolarHBondContact OD2-N 2.88Å
298F98.6Very high93.3Very high7 Ų739.4 Ų39.43%0.03122%0.219CC..EExtended strand (participates in β ladder)trans-140.8138.7177-70.6-98.7000109.3F245 F252 V254 V260 F288 W295 T305 L306 C307F245-F298 HydrophobicContact CB-CB 3.79Å; F245-F298 HydrophobicContact CD1-CB 4.27Å; F245-F298 WeakPolarHBondContact CD1-O 3.29Å; F245-F298 HydrophobicContact CD2-CB 3.92Å; F245-F298 AromaticContact CD2-CD2 3.76Å; F245-F298 HydrophobicContact CD2-CD2 3.76Å; F245-F298 HydrophobicContact CD2-CG 4.25Å; F245-F298 AromaticContact CE2-CD2 3.81Å; F245-F298 HydrophobicContact CE2-CD2 3.81Å; F245-F298 HydrophobicContact CG-CB 3.75Å; F245-F298 HydrophobicContact CG-CD2 4.43Å; F252-F298 HydrophobicContact CB-CG 4.4Å; F252-F298 HydrophobicContact CD1-CD1 4.49Å; F252-F298 HydrophobicContact CD2-CB 4.08Å; F252-F298 AromaticContact CD2-CD1 3.85Å; F252-F298 HydrophobicContact CD2-CD1 3.85Å; F252-F298 HydrophobicContact CD2-CG 4.19Å; F252-F298 HydrophobicContact CE2-CD1 4.08Å; F252-F298 HydrophobicContact CG-CD1 4.06Å; F252-F298 HydrophobicContact CG-CG 4.38Å; V254-F298 HydrophobicContact CG2-CE2 4.25Å; V260-F298 HydrophobicContact CG1-CE1 4.27Å; V260-F298 HydrophobicContact CG1-CE2 4.46Å; V260-F298 HydrophobicContact CG1-CZ 3.88Å; V260-F298 HydrophobicContact CG2-CE2 4.37Å; V260-F298 HydrophobicContact CG2-CZ 3.92Å; F288-F298 AromaticContact CD1-CE1 3.9Å; F288-F298 HydrophobicContact CD1-CE1 3.9Å; F288-F298 HydrophobicContact CD1-CZ 4.08Å; F288-F298 AromaticContact CE1-CE1 3.53Å; F288-F298 HydrophobicContact CE1-CE1 3.53Å; F288-F298 HydrophobicContact CE1-CZ 4.18Å; F288-F298 HydrophobicContact CE2-CE1 4.46Å; F288-F298 AromaticContact CZ-CE1 3.85Å; F288-F298 HydrophobicContact CZ-CE1 3.85Å; W295-F298 HydrophobicContact CB-CE2 3.59Å; W295-F298 HydrophobicContact CB-CZ 3.67Å; W295-F298 HydrophobicContact CD2-CZ 4.29Å; W295-F298 HydrophobicContact CG-CE2 4.34Å; W295-F298 AromaticContact CG-CZ 3.91Å; W295-F298 HydrophobicContact CG-CZ 3.91Å; F298-T305 HydrophobicContact CD1-CG2 4.46Å; F298-L306 WeakPolarHBondContact CA-O 3.32Å; F298-C307 HydrophobicContact CD1-CB 3.73Å; F298-C307 HydrophobicContact CE1-CB 3.7Å; F298-C307 HydrophobicContact CG-CB 4.41Å; F298-C307 HydrophobicContact CZ-CB 4.35Å
299S98.8Very high93.4Very high18 Ų1839.4 Ų39.413%0.12622%0.219CC..EExtended strand (participates in β ladder)trans-141.7146.4170.9178.20000109.5T305 L306 S350 C351S299-T305 CarbonylContact O-C 3.55Å; S299-T305 WeakPolarHBondContact O-CA 3.49Å; S299-L306 PolarHBondContact N-O 3.46Å; S299-L306 PolarHBondContact O-N 3.25Å; S299-L306 VanDerWaalsContact O-O 3.11Å; S299-S350 WeakPolarHBondContact OG-CA 3.34Å; S299-C351 VanDerWaalsContact C-SG 3.53Å; S299-C351 PolarHBondContact O-SG 3.07Å; S299-C351 VanDerWaalsContact O-SG 3.36Å; S299-C351 WeakPolarHBondContact OG-CB 3.33Å; S299-C351 PolarHBondContact OG-N 2.89Å; S299-C351 PolarHBondContact OG-SG 3.1Å
300G98.2Very high93.9Very high10 Ų1032.7 Ų32.710%0.10320%0.203CC..EExtended strand (participates in β ladder)trans-137.2132.7-17900000113.1G247 A248 H304 C351G247-G300 WeakPolarHBondContact CA-O 3.31Å; A248-G300 PolarHBondContact N-O 3.03Å; G300-H304 CarbonylContact C-O 3.34Å; G300-H304 VanDerWaalsContact CA-O 3.31Å; G300-H304 WeakPolarHBondContact CA-O 3.38Å; G300-C351 VanDerWaalsContact C-CB 3.48Å
301G98.5Very high94.9Very high2 Ų234 Ų342%0.02121%0.206CC..  trans-81.3-155.5166.400000111.4A248 F250 H304 C351 G352A248-G301 VanDerWaalsContact CB-O 3.24Å; A248-G301 WeakPolarHBondContact CB-O 3.31Å; A248-G301 PolarHBondContact N-O 3.02Å; F250-G301 WeakPolarHBondContact CE1-O 3.22Å; G301-H304 PolarHBondContact N-O 3.36Å; G301-C351 VanDerWaalsContact N-CB 3.32Å; G301-G352 WeakPolarHBondContact CA-O 3.34Å
302Q98.5Very high96Very high57 Ų5728.2 Ų28.227%0.26617%0.167SC..SBendtrans-66.1-41.6176.9-67.7179.6-23.300112A248 Y249 Q270 A353A248-Q302 HydrophobicContact CB-CG 4.26Å; Y249-Q302 HydrophobicContact CE2-CB 4.21Å; Y249-Q302 HydrophobicContact CE2-CG 4.04Å; Q270-Q302 PolarHBondContact NE2-O 3.05Å; Q302-A353 HydrophobicContact CG-CB 4.24Å; Q302-A353 PolarHBondContact N-O 3.36Å; Q302-A353 VanDerWaalsContact N-O 3.08Å
303H98.8Very high96.9Very high31 Ų3126.9 Ų26.914%0.14415%0.154CC..SBendtrans-137.911.7-169.6-55.7-54.1000114.3Y268 R319Y268-H303 HydrophobicContact CD2-CB 3.83Å; Y268-H303 AromaticContact CD2-CG 3.7Å; Y268-H303 AromaticContact CD2-ND1 3.6Å; Y268-H303 AromaticContact CE2-ND1 3.97Å; Y268-H303 HydrophobicContact CG-CB 4.31Å; H303-R319 HydrophobicContact CB-CB 3.82Å; H303-R319 WeakPolarHBondContact O-CB 3.49Å; H303-R319 PolarHBondContact O-N 3.06Å
304H98.9Very high97.6Very high0 Ų025.9 Ų25.90%015%0.148CC..EExtended strand (participates in β ladder)trans-142159.5176.471.3-64.2000111.2G300 G301 L317 R324 L325 V355 S356G300-H304 CarbonylContact C-O 3.34Å; G300-H304 VanDerWaalsContact CA-O 3.31Å; G300-H304 WeakPolarHBondContact CA-O 3.38Å; G301-H304 PolarHBondContact N-O 3.36Å; H304-L317 WeakPolarHBondContact CA-O 3.18Å; H304-R324 HydrophobicContact CB-CG 3.95Å; H304-R324 PolarHBondContact CD2-O 2.7Å; H304-L325 HydrophobicContact CB-CD2 4.02Å; H304-V355 PolarHBondContact CE1-O 3.08Å; H304-V355 PolarHBondContact NE2-O 2.86Å; H304-V355 VanDerWaalsContact NE2-O 3.14Å; H304-S356 PolarHBondContact CD2-OG 2.8Å; H304-S356 PolarHBondContact NE2-OG 2.97Å
305T98.9Very high98Very high0 Ų025.1 Ų25.10%013%0.134CC..EExtended strand (participates in β ladder)trans-131.5135.9179-66.90000109.4F250 F252 Q270 F298 S299 S316 L317F250-T305 VanDerWaalsContact CE2-OG1 3.24Å; F250-T305 WeakPolarHBondContact CE2-OG1 3.26Å; F250-T305 WeakPolarHBondContact CZ-OG1 3.32Å; F252-T305 HydrophobicContact CE2-CG2 3.59Å; F252-T305 HydrophobicContact CZ-CG2 3.97Å; Q270-T305 WeakPolarHBondContact O-CB 3.27Å; Q270-T305 PolarHBondContact O-OG1 2.99Å; F298-T305 HydrophobicContact CD1-CG2 4.46Å; S299-T305 CarbonylContact O-C 3.55Å; S299-T305 WeakPolarHBondContact O-CA 3.49Å; T305-S316 VanDerWaalsContact O-CA 3.32Å; T305-S316 WeakPolarHBondContact O-CA 3.39Å; T305-L317 HydrophobicContact CG2-CD2 4.04Å; T305-L317 PolarHBondContact N-O 2.83Å; T305-L317 PolarHBondContact O-N 2.77Å
306L98.9Very high98.1Very high0 Ų023.7 Ų23.70%013%0.128CC..EExtended strand (participates in β ladder)trans-102.2142.5161.8-60.3-177.6000109.8F298 S299 Y315 V349 S350 W368F298-L306 WeakPolarHBondContact CA-O 3.32Å; S299-L306 PolarHBondContact N-O 3.46Å; S299-L306 PolarHBondContact O-N 3.25Å; S299-L306 VanDerWaalsContact O-O 3.11Å; L306-Y315 WeakPolarHBondContact CA-O 3.35Å; L306-V349 HydrophobicContact CB-CB 4.05Å; L306-V349 HydrophobicContact CB-CG2 4.13Å; L306-V349 HydrophobicContact CD1-CB 4.2Å; L306-S350 WeakPolarHBondContact CD1-O 3.49Å; L306-W368 HydrophobicContact CD1-CH2 4.16Å; L306-W368 HydrophobicContact CD1-CZ2 3.88Å; L306-W368 HydrophobicContact CD2-CZ2 3.67Å; L306-W368 HydrophobicContact CG-CZ2 4.43Å
307C98.2Very high98.3Very high0 Ų020.8 Ų20.80%011%0.111CC..EExtended strand (participates in β ladder)trans-136150.117244.60000110.1F288 W295 D297 F298 Y315F288-C307 HydrophobicContact CE1-CB 4.29Å; W295-C307 HydrophobicContact CE3-CB 3.79Å; W295-C307 HydrophobicContact CZ3-CB 3.75Å; W295-C307 VanDerWaalsContact CZ3-SG 3.54Å; D297-C307 WeakPolarHBondContact O-CA 2.8Å; F298-C307 HydrophobicContact CD1-CB 3.73Å; F298-C307 HydrophobicContact CE1-CB 3.7Å; F298-C307 HydrophobicContact CG-CB 4.41Å; F298-C307 HydrophobicContact CZ-CB 4.35Å; C307-Y315 PolarHBondContact N-O 2.88Å; C307-Y315 PolarHBondContact O-N 2.95Å; C307-Y315 VanDerWaalsContact SG-CB 3.5Å
308L98.5Very high98.3Very high3 Ų319 Ų192%0.01610%0.101CC..EExtended strand (participates in β ladder)trans-126.8133.7-175.8179.559.8000109.1V296 D297 Q313 V314 A346 V349V296-L308 HydrophobicContact CG2-CB 4.3Å; V296-L308 HydrophobicContact CG2-CD2 4.17Å; V296-L308 HydrophobicContact CG2-CG 3.89Å; V296-L308 WeakPolarHBondContact CG2-O 3.12Å; V296-L308 PolarHBondContact N-O 3.09Å; D297-L308 HydrophobicContact CB-CB 3.9Å; D297-L308 HydrophobicContact CB-CD2 4.15Å; D297-L308 PolarHBondContact N-O 3.28Å; D297-L308 PolarHBondContact O-N 3.33Å; L308-Q313 WeakPolarHBondContact CD1-O 3.32Å; L308-V314 HydrophobicContact CD1-CG2 4.28Å; L308-A346 HydrophobicContact CD1-CB 3.7Å; L308-A346 HydrophobicContact CD2-CB 4.42Å; L308-V349 HydrophobicContact CB-CG1 4.11Å; L308-V349 HydrophobicContact CB-CG2 4.12Å
309D97.1Very high98.3Very high8 Ų820.6 Ų20.64%0.04311%0.107CC..EExtended strand (participates in β ladder)trans-92.5170.9170.47312.9000113.1T293 A294 V296 E311 G312 Q313 Y315T293-D309 HydrophobicContact CG2-CB 3.43Å; T293-D309 VanDerWaalsContact CG2-CB 3.43Å; A294-D309 CarbonylContact O-C 3.52Å; A294-D309 VanDerWaalsContact O-CA 3.3Å; A294-D309 WeakPolarHBondContact O-CA 3.26Å; V296-D309 WeakPolarHBondContact CG2-O 3.37Å; D309-E311 PolarHBondContact O-N 3.39Å; D309-E311 WeakPolarHBondContact OD1-CB 3.29Å; D309-E311 PolarHBondContact OD1-N 3.33Å; D309-E311 VanDerWaalsContact OD1-N 3.14Å; D309-G312 PolarHBondContact O-N 3.24Å; D309-G312 PolarHBondContact OD1-N 3.28Å; D309-Q313 PolarHBondContact N-O 3.47Å; D309-Q313 PolarHBondContact OD1-N 3.28Å; D309-Q313 WeakPolarHBondContact OD2-CB 3.26Å; D309-Y315 HydrophobicContact CB-CE2 4.28Å; D309-Y315 WeakPolarHBondContact OD2-CE2 3.43Å; D309-Y315 PolarHBondContact OD2-OH 2.7Å
310A95.6Very high98.3Very high42 Ų4220 Ų2035%0.34710%0.103SC..THydrogen-bonded Turntrans-67.1-23.2-178.400000112.9A294 V296 G312 R361A294-A310 HydrophobicContact CB-CB 4.02Å; A294-A310 PolarHBondContact O-N 3.1Å; V296-A310 HydrophobicContact CG1-CB 3.83Å; A310-G312 VanDerWaalsContact C-N 3.29Å; A310-R361 PolarHBondContact O-NH2 3.02Å
311E96.9Very high98.3Very high108 Ų10823.1 Ų23.151%0.50512%0.115SC..THydrogen-bonded Turntrans-76.1-21.2177.4-66.765.2-142.900111.7D309 R361D309-E311 PolarHBondContact O-N 3.39Å; D309-E311 WeakPolarHBondContact OD1-CB 3.29Å; D309-E311 PolarHBondContact OD1-N 3.33Å; D309-E311 VanDerWaalsContact OD1-N 3.14Å; E311-R361 PolarHBondContact O-NH2 3.03Å
312G98Very high98.3Very high4 Ų427.8 Ų27.84%0.04113%0.133CC..  trans100.811.8179.200000113.6D309 A310 A346D309-G312 PolarHBondContact O-N 3.24Å; D309-G312 PolarHBondContact OD1-N 3.28Å; A310-G312 VanDerWaalsContact C-N 3.29Å; G312-A346 WeakPolarHBondContact CA-O 3.33Å; G312-A346 PolarHBondContact O-N 3.29Å
313Q98.3Very high98.3Very high72 Ų7225.1 Ų25.134%0.33612%0.121SC..  trans-79.7129.2175.1177.562.969.100110.1L308 D309 Y315 V340L308-Q313 WeakPolarHBondContact CD1-O 3.32Å; D309-Q313 PolarHBondContact N-O 3.47Å; D309-Q313 PolarHBondContact OD1-N 3.28Å; D309-Q313 WeakPolarHBondContact OD2-CB 3.26Å; Q313-Y315 HydrophobicContact CB-CD2 4.5Å; Q313-Y315 HydrophobicContact CB-CE2 3.74Å; Q313-Y315 HydrophobicContact CG-CD2 4.01Å; Q313-Y315 HydrophobicContact CG-CE1 4.4Å; Q313-Y315 HydrophobicContact CG-CE2 3.37Å; Q313-Y315 WeakPolarHBondContact O-CD2 3.43Å; Q313-Y315 WeakPolarHBondContact O-CE2 3.45Å; Q313-V340 PolarHBondContact NE2-O 3.37Å
314V98.8Very high98.3Very high1 Ų123.8 Ų23.81%0.00612%0.115CC..EExtended strand (participates in β ladder)trans-88.3137.2175.4-1790000109.5L308 V340 I343 A346 V349 A358 W368L308-V314 HydrophobicContact CD1-CG2 4.28Å; V314-V340 HydrophobicContact CB-CB 4.38Å; V314-V340 HydrophobicContact CG1-CB 4.26Å; V314-V340 HydrophobicContact CG1-CG2 4.25Å; V314-V340 PolarHBondContact O-N 3.06Å; V314-I343 HydrophobicContact CB-CD1 4.19Å; V314-I343 HydrophobicContact CG1-CD1 4.4Å; V314-I343 HydrophobicContact CG2-CD1 4.2Å; V314-A346 HydrophobicContact CG2-CB 3.62Å; V314-V349 HydrophobicContact CG1-CG1 4Å; V314-V349 HydrophobicContact CG2-CG1 3.92Å; V314-A358 HydrophobicContact CG2-CB 3.95Å; V314-W368 HydrophobicContact CG1-CH2 4.17Å; V314-W368 HydrophobicContact CG1-CZ2 4.41Å
315Y98.8Very high98.3Very high36 Ų3623.8 Ų23.814%0.14112%0.115CC..EExtended strand (participates in β ladder)trans-127.4149.3175.6-63-105000109.9W295 L306 C307 D309 Q313 P337 T338 P339W295-Y315 HydrophobicContact CH2-CD1 4.15Å; W295-Y315 AromaticContact CH2-CD2 3.77Å; W295-Y315 HydrophobicContact CH2-CD2 3.77Å; W295-Y315 HydrophobicContact CH2-CE1 4.39Å; W295-Y315 HydrophobicContact CH2-CE2 4.02Å; W295-Y315 AromaticContact CH2-CG 3.85Å; W295-Y315 HydrophobicContact CH2-CG 3.85Å; W295-Y315 AromaticContact CZ3-CD2 3.53Å; W295-Y315 HydrophobicContact CZ3-CD2 3.53Å; W295-Y315 AromaticContact CZ3-CE2 3.98Å; W295-Y315 HydrophobicContact CZ3-CE2 3.98Å; W295-Y315 AromaticContact CZ3-CG 3.94Å; W295-Y315 HydrophobicContact CZ3-CG 3.94Å; L306-Y315 WeakPolarHBondContact CA-O 3.35Å; C307-Y315 PolarHBondContact N-O 2.88Å; C307-Y315 PolarHBondContact O-N 2.95Å; C307-Y315 VanDerWaalsContact SG-CB 3.5Å; D309-Y315 HydrophobicContact CB-CE2 4.28Å; D309-Y315 WeakPolarHBondContact OD2-CE2 3.43Å; D309-Y315 PolarHBondContact OD2-OH 2.7Å; Q313-Y315 HydrophobicContact CB-CD2 4.5Å; Q313-Y315 HydrophobicContact CB-CE2 3.74Å; Q313-Y315 HydrophobicContact CG-CD2 4.01Å; Q313-Y315 HydrophobicContact CG-CE1 4.4Å; Q313-Y315 HydrophobicContact CG-CE2 3.37Å; Q313-Y315 WeakPolarHBondContact O-CD2 3.43Å; Q313-Y315 WeakPolarHBondContact O-CE2 3.45Å; Y315-P337 HydrophobicContact CD1-CB 4.06Å; Y315-P337 HydrophobicContact CG-CB 4.29Å; Y315-T338 CarbonylContact C-O 3.56Å; Y315-T338 WeakPolarHBondContact CA-O 3.34Å; Y315-P339 HydrophobicContact CD1-CB 4.27Å; Y315-P339 HydrophobicContact CD1-CG 3.95Å; Y315-P339 HydrophobicContact CE1-CB 4.16Å; Y315-P339 HydrophobicContact CE1-CG 3.62Å
316S98.8Very high98.3Very high0 Ų024 Ų240%012%0.117CC..EExtended strand (participates in β ladder)trans-129.2151.4174.267.60000112.3T305 L325 T338T305-S316 VanDerWaalsContact O-CA 3.32Å; T305-S316 WeakPolarHBondContact O-CA 3.39Å; S316-L325 VanDerWaalsContact CB-O 3.31Å; S316-L325 WeakPolarHBondContact CB-O 3.5Å; S316-L325 PolarHBondContact OG-O 3Å; S316-T338 PolarHBondContact N-O 2.99Å; S316-T338 PolarHBondContact O-N 2.82Å
317L98.8Very high98.3Very high0 Ų026.3 Ų26.30%013%0.129CC..EExtended strand (participates in β ladder)trans-150.6160.5170.962.6143.3000110.2H269 G272 F288 H304 T305 L325 R334 P337H269-L317 WeakPolarHBondContact O-CD1 3.23Å; G272-L317 VanDerWaalsContact CA-CD1 3.41Å; G272-L317 VanDerWaalsContact N-CD1 3.27Å; F288-L317 HydrophobicContact CE1-CD2 4.29Å; F288-L317 HydrophobicContact CZ-CD1 4.34Å; F288-L317 HydrophobicContact CZ-CD2 3.94Å; H304-L317 WeakPolarHBondContact CA-O 3.18Å; T305-L317 HydrophobicContact CG2-CD2 4.04Å; T305-L317 PolarHBondContact N-O 2.83Å; T305-L317 PolarHBondContact O-N 2.77Å; L317-L325 WeakPolarHBondContact O-CD2 3.21Å; L317-R334 HydrophobicContact CB-CB 4.41Å; L317-R334 WeakPolarHBondContact CB-O 3.44Å; L317-P337 HydrophobicContact CD2-CB 4.41Å; L317-P337 HydrophobicContact CD2-CG 4.23Å
318G98.7Very high98.3Very high0 Ų027 Ų270%014%0.136CC..EExtended strand (participates in β ladder)trans118.8-150.5179.900000113.9Y268 E333 R334Y268-G318 CarbonylContact O-C 2.97Å; Y268-G318 VanDerWaalsContact O-C 3.23Å; Y268-G318 WeakPolarHBondContact O-CA 3.35Å; G318-E333 WeakPolarHBondContact O-CA 3.29Å; G318-R334 PolarHBondContact N-O 2.75Å; G318-R334 PolarHBondContact O-N 2.97Å
319R98.7Very high98.2Very high40 Ų4035 Ų3515%0.15117%0.174CC..  trans-67.2136175.8-169.8175.5-176.5-173.8-3.6111.3Y268 H303 E321 R324 L325Y268-R319 HydrophobicContact CD1-CB 3.83Å; Y268-R319 HydrophobicContact CD1-CG 3.74Å; Y268-R319 HydrophobicContact CD2-CB 4.43Å; Y268-R319 HydrophobicContact CE1-CG 3.94Å; Y268-R319 HydrophobicContact CG-CB 3.78Å; Y268-R319 HydrophobicContact CG-CG 4.11Å; H303-R319 HydrophobicContact CB-CB 3.82Å; H303-R319 WeakPolarHBondContact O-CB 3.49Å; H303-R319 PolarHBondContact O-N 3.06Å; R319-E321 HydrophobicContact CG-CB 4.26Å; R319-E321 HydrophobicContact CG-CG 4.38Å; R319-E321 IonicContact CZ-OE1 3.73Å; R319-E321 IonicContact CZ-OE2 3.7Å; R319-E321 IonicContact NE-OE1 3.34Å; R319-E321 PolarHBondContact NE-OE1 2.87Å; R319-E321 IonicContact NE-OE2 2.61Å; R319-E321 PolarHBondContact NE-OE2 3.21Å; R319-E321 IonicContact NH2-OE1 3.88Å; R319-E321 PolarHBondContact NH2-OE1 2.92Å; R319-E321 IonicContact NH2-OE2 2.69Å; R319-E321 PolarHBondContact NH2-OE2 3.34Å; R319-R324 WeakPolarHBondContact O-CD 3.43Å; R319-R324 WeakPolarHBondContact O-CG 3.2Å; R319-L325 WeakPolarHBondContact O-CG 3.48Å
320A98.4Very high98.1Very high6 Ų637.9 Ų37.95%0.0521%0.205CC..  trans-94.7-18.1-177.300000115.5G323 L325 A331 E332A320-G323 PolarHBondContact O-N 3.46Å; A320-L325 HydrophobicContact CB-CD1 3.71Å; A320-L325 HydrophobicContact CB-CG 4.38Å; A320-A331 HydrophobicContact CB-CB 4.41Å; A320-A331 WeakPolarHBondContact CB-O 3.11Å; A320-E332 WeakPolarHBondContact CB-O 3.14Å
321E98.5Very high98.2Very high75 Ų7536.8 Ų36.835%0.3520%0.195SC..G310 helixtrans-55.9146.5-177.1-66.9173.8-123.600113.4R319 G323 R324R319-E321 HydrophobicContact CG-CB 4.26Å; R319-E321 HydrophobicContact CG-CG 4.38Å; R319-E321 IonicContact CZ-OE1 3.73Å; R319-E321 IonicContact CZ-OE2 3.7Å; R319-E321 IonicContact NE-OE1 3.34Å; R319-E321 PolarHBondContact NE-OE1 2.87Å; R319-E321 IonicContact NE-OE2 2.61Å; R319-E321 PolarHBondContact NE-OE2 3.21Å; R319-E321 IonicContact NH2-OE1 3.88Å; R319-E321 PolarHBondContact NH2-OE1 2.92Å; R319-E321 IonicContact NH2-OE2 2.69Å; R319-E321 PolarHBondContact NH2-OE2 3.34Å; E321-G323 PolarHBondContact O-N 2.88Å; E321-R324 PolarHBondContact O-NE 3.48Å
322Y98.2Very high98.2Very high100 Ų10038.3 Ų38.339%0.39220%0.203SC..G310 helixtrans60.124.7-174.7-43.7-49.2000113.7R324 G369 M370 D383Y322-R324 PolarHBondContact O-N 2.95Å; Y322-R324 VanDerWaalsContact O-N 3.1Å; Y322-G369 CarbonylContact O-C 3.23Å; Y322-G369 WeakPolarHBondContact O-CA 3.48Å; Y322-M370 HydrophobicContact CD2-CB 4.46Å; Y322-M370 HydrophobicContact CD2-CG 4.33Å; Y322-M370 HydrophobicContact CD2-SD 4.24Å; Y322-M370 HydrophobicContact CG-CB 4.42Å; Y322-M370 HydrophobicContact CG-CG 4.32Å; Y322-M370 PolarHBondContact O-N 2.92Å; Y322-D383 WeakPolarHBondContact CD1-OD2 3.36Å
323G98.4Very high98.2Very high2 Ų242 Ų422%0.02122%0.219CC..G310 helixtrans70.86.2176.300000115.7A320 E321 L325 G326A320-G323 PolarHBondContact O-N 3.46Å; E321-G323 PolarHBondContact O-N 2.88Å; G323-L325 PolarHBondContact O-N 3.18Å; G323-G326 PolarHBondContact O-N 3.47Å
324R98.7Very high98.2Very high2 Ų242.3 Ų42.31%0.00822%0.217CC..THydrogen-bonded Turntrans-58.6-17.4-170.372-175.476.4-154.50.7115.6H304 R319 E321 Y322 S354 S356 W368H304-R324 HydrophobicContact CB-CG 3.95Å; H304-R324 PolarHBondContact CD2-O 2.7Å; R319-R324 WeakPolarHBondContact O-CD 3.43Å; R319-R324 WeakPolarHBondContact O-CG 3.2Å; E321-R324 PolarHBondContact O-NE 3.48Å; Y322-R324 PolarHBondContact O-N 2.95Å; Y322-R324 VanDerWaalsContact O-N 3.1Å; R324-S354 PolarHBondContact NH1-OG 3.12Å; R324-S356 PolarHBondContact O-OG 2.84Å; R324-W368 PolarHBondContact O-NE1 3.43Å; R324-W368 VanDerWaalsContact O-NE1 3.13Å
325L98.8Very high98.2Very high1 Ų143.8 Ų43.81%0.00523%0.227CC..THydrogen-bonded Turntrans-84.1-22.3174.5-60.8-177000113.9H304 S316 L317 R319 A320 G323 L327 R334 V340 W368H304-L325 HydrophobicContact CB-CD2 4.02Å; S316-L325 VanDerWaalsContact CB-O 3.31Å; S316-L325 WeakPolarHBondContact CB-O 3.5Å; S316-L325 PolarHBondContact OG-O 3Å; L317-L325 WeakPolarHBondContact O-CD2 3.21Å; R319-L325 WeakPolarHBondContact O-CG 3.48Å; A320-L325 HydrophobicContact CB-CD1 3.71Å; A320-L325 HydrophobicContact CB-CG 4.38Å; G323-L325 PolarHBondContact O-N 3.18Å; L325-L327 VanDerWaalsContact C-N 3.3Å; L325-L327 HydrophobicContact CB-CD1 3.96Å; L325-L327 HydrophobicContact CB-CG 3.87Å; L325-L327 HydrophobicContact CD1-CD1 4.12Å; L325-L327 PolarHBondContact O-N 3.01Å; L325-R334 HydrophobicContact CD1-CB 4.34Å; L325-R334 HydrophobicContact CD1-CG 4.06Å; L325-V340 WeakPolarHBondContact O-CG2 3.39Å; L325-W368 VanDerWaalsContact C-NE1 3.31Å; L325-W368 PolarHBondContact O-NE1 2.83Å
326G98.7Very high98.1Very high4 Ų447 Ų474%0.04124%0.243CC..  trans70.824.6179.600000113.7G323 W385 P387G323-G326 PolarHBondContact O-N 3.47Å; G326-W385 CarbonylContact C-O 2.93Å; G326-W385 VanDerWaalsContact CA-O 3.28Å; G326-W385 WeakPolarHBondContact CA-O 3.27Å; G326-P387 WeakPolarHBondContact O-CD 3.43Å
327L98.8Very high98Very high48 Ų4848 Ų4825%0.25125%0.25SC..SBendtrans-98.210.6-174.3-59.2178000113.4L325 A331 R334 T338 P339 V340 W385L325-L327 VanDerWaalsContact C-N 3.3Å; L325-L327 HydrophobicContact CB-CD1 3.96Å; L325-L327 HydrophobicContact CB-CG 3.87Å; L325-L327 HydrophobicContact CD1-CD1 4.12Å; L325-L327 PolarHBondContact O-N 3.01Å; L327-A331 HydrophobicContact CB-CB 3.89Å; L327-R334 HydrophobicContact CD1-CG 3.78Å; L327-T338 HydrophobicContact CD1-CG2 3.82Å; L327-T338 HydrophobicContact CD2-CG2 3.89Å; L327-P339 WeakPolarHBondContact CD2-O 3.42Å; L327-V340 HydrophobicContact CD2-CG2 4.03Å; L327-W385 PolarHBondContact N-O 2.85Å
328G98Very high98Very high15 Ų1549.8 Ų49.816%0.15526%0.261CS..  trans94.3168.3-17600000113.7A331 W385G328-A331 WeakPolarHBondContact O-CB 3.49Å; G328-A331 PolarHBondContact O-N 3.09Å; G328-W385 WeakPolarHBondContact CA-O 3.28Å; G328-W385 PolarHBondContact N-O 2.66Å
329E96.5Very high98Very high172 Ų17253.2 Ų53.280%0.80428%0.283SS*.THydrogen-bonded Turntrans-60.2141.5176.6-71.2-174.8-175.700111.4A331 W385E329-A331 PolarHBondContact O-N 2.99Å; E329-W385 HydrophobicContact CG-CB 4Å; E329-W385 HydrophobicContact CG-CD2 4.49Å; E329-W385 HydrophobicContact CG-CG 3.96Å
330G95.4Very high98Very high67 Ų6751.4 Ų51.469%0.69128%0.276SS*.THydrogen-bonded Turntrans73.611.5-18000000114.4E332G330-E332 PolarHBondContact O-N 2.8Å
331A97.5Very high97.9Very high19 Ų1954.9 Ų54.916%0.15731%0.305CS..PPolyproline II helixtrans-56.8136.3171.200000111.1A320 L327 G328 E329A320-A331 HydrophobicContact CB-CB 4.41Å; A320-A331 WeakPolarHBondContact CB-O 3.11Å; L327-A331 HydrophobicContact CB-CB 3.89Å; G328-A331 WeakPolarHBondContact O-CB 3.49Å; G328-A331 PolarHBondContact O-N 3.09Å; E329-A331 PolarHBondContact O-N 2.99Å
332E97.9Very high97.8Very high140 Ų14054.4 Ų54.465%0.65432%0.32SS*.PPolyproline II helixtrans-97.1168.5173.2-61.1176.6165.600110.4A320 G330 R334A320-E332 WeakPolarHBondContact CB-O 3.14Å; G330-E332 PolarHBondContact O-N 2.8Å; E332-R334 PolarHBondContact O-NH1 2.95Å
333E97.9Very high97.8Very high82 Ų8250.9 Ų50.938%0.38331%0.308SS..PPolyproline II helixtrans-54.5148.7175.8-59.3-174.817900111.8Y268 H269 G318Y268-E333 WeakPolarHBondContact CD1-OE1 3.44Å; Y268-E333 WeakPolarHBondContact CE1-OE1 3.19Å; H269-E333 IonicContact CD2-OE2 3.02Å; G318-E333 WeakPolarHBondContact O-CA 3.29Å
334R98.2Very high97.8Very high79 Ų7954.7 Ų54.730%0.29833%0.326SS..EExtended strand (participates in β ladder)trans-128.6123-178.4-65.5-64.8176.5-105.53.8109.9L317 G318 L325 L327 E332 T338L317-R334 HydrophobicContact CB-CB 4.41Å; L317-R334 WeakPolarHBondContact CB-O 3.44Å; G318-R334 PolarHBondContact N-O 2.75Å; G318-R334 PolarHBondContact O-N 2.97Å; L325-R334 HydrophobicContact CD1-CB 4.34Å; L325-R334 HydrophobicContact CD1-CG 4.06Å; L327-R334 HydrophobicContact CD1-CG 3.78Å; E332-R334 PolarHBondContact O-NH1 2.95Å; R334-T338 WeakPolarHBondContact CD-OG1 3.24Å
335S97.4Very high97.8Very high31 Ų3156.3 Ų56.322%0.21734%0.339CS..EExtended strand (participates in β ladder)trans-93-3.5173.259.10000113.5G272G272-S335 CarbonylContact C-O 3.58Å; G272-S335 VanDerWaalsContact CA-O 3.27Å; G272-S335 WeakPolarHBondContact CA-O 3.4Å
336E96.9Very high97.8Very high104 Ų10456.3 Ų56.349%0.48634%0.339SS..EExtended strand (participates in β ladder)trans-130148-179.5-63.5-172.217800110.8Q274 C287 T338Q274-E336 PolarHBondContact NE2-OE1 3.49Å; C287-E336 HydrophobicContact CB-CG 4.23Å; E336-T338 PolarHBondContact O-N 3.29Å; E336-T338 PolarHBondContact O-OG1 2.89Å
337P97.9Very high97.8Very high21 Ų2159.9 Ų59.914%0.13635%0.354CS..EExtended strand (participates in β ladder)trans-55.8112.6177.7-23.333.9000110.9F288 W295 Y315 L317F288-P337 HydrophobicContact CD1-CG 3.61Å; F288-P337 HydrophobicContact CE1-CB 4.25Å; F288-P337 HydrophobicContact CE1-CG 3.29Å; F288-P337 HydrophobicContact CG-CG 4.43Å; F288-P337 HydrophobicContact CZ-CG 3.9Å; W295-P337 HydrophobicContact CH2-CB 3.72Å; W295-P337 HydrophobicContact CH2-CG 4.17Å; W295-P337 HydrophobicContact CZ2-CB 4.22Å; W295-P337 HydrophobicContact CZ2-CG 4.23Å; Y315-P337 HydrophobicContact CD1-CB 4.06Å; Y315-P337 HydrophobicContact CG-CB 4.29Å; L317-P337 HydrophobicContact CD2-CB 4.41Å; L317-P337 HydrophobicContact CD2-CG 4.23Å
338T98.3Very high97.7Very high38 Ų3858.3 Ų58.323%0.23335%0.349CS..EExtended strand (participates in β ladder)trans-107.7126.5-177.7-56.40000109.5Y315 S316 L327 R334 E336 V340Y315-T338 CarbonylContact C-O 3.56Å; Y315-T338 WeakPolarHBondContact CA-O 3.34Å; S316-T338 PolarHBondContact N-O 2.99Å; S316-T338 PolarHBondContact O-N 2.82Å; L327-T338 HydrophobicContact CD1-CG2 3.82Å; L327-T338 HydrophobicContact CD2-CG2 3.89Å; R334-T338 WeakPolarHBondContact CD-OG1 3.24Å; E336-T338 PolarHBondContact O-N 3.29Å; E336-T338 PolarHBondContact O-OG1 2.89Å; T338-V340 PolarHBondContact O-N 3.42Å
339P98.2Very high97.8Very high72 Ų7257.9 Ų57.947%0.46834%0.343SS..EExtended strand (participates in β ladder)trans-58.7132.3-179.7-19.327000111.9Y315 L327Y315-P339 HydrophobicContact CD1-CB 4.27Å; Y315-P339 HydrophobicContact CD1-CG 3.95Å; Y315-P339 HydrophobicContact CE1-CB 4.16Å; Y315-P339 HydrophobicContact CE1-CG 3.62Å; L327-P339 WeakPolarHBondContact CD2-O 3.42Å
340V98.8Very high97.9Very high1 Ų150.8 Ų50.81%0.00631%0.313CS..PPolyproline II helixtrans-92.3120.3172.2-179.20000108.3Q313 V314 L325 L327 T338 I343 W368 P387Q313-V340 PolarHBondContact NE2-O 3.37Å; V314-V340 HydrophobicContact CB-CB 4.38Å; V314-V340 HydrophobicContact CG1-CB 4.26Å; V314-V340 HydrophobicContact CG1-CG2 4.25Å; V314-V340 PolarHBondContact O-N 3.06Å; L325-V340 WeakPolarHBondContact O-CG2 3.39Å; L327-V340 HydrophobicContact CD2-CG2 4.03Å; T338-V340 PolarHBondContact O-N 3.42Å; V340-I343 HydrophobicContact CB-CD1 4.36Å; V340-I343 HydrophobicContact CG1-CD1 3.7Å; V340-I343 HydrophobicContact CG1-CG1 4.44Å; V340-W368 HydrophobicContact CG1-CZ2 4.39Å; V340-P387 HydrophobicContact CG1-CG 3.39Å
341A97.9Very high98Very high79 Ų7948.2 Ų48.265%0.65328%0.284SS*.PPolyproline II helixtrans-86.8163-179.200000111.9
342G96.4Very high98.1Very high65 Ų6547.5 Ų47.567%0.6728%0.279SS*.SBendtrans8314.5172.500000115.6
343I98Very high98.1Very high27 Ų2741.8 Ų41.814%0.13826%0.255CS..  trans-119133.3176.1-48.6172.7000108V314 V340 A358 T360 Y366 W368 P387V314-I343 HydrophobicContact CB-CD1 4.19Å; V314-I343 HydrophobicContact CG1-CD1 4.4Å; V314-I343 HydrophobicContact CG2-CD1 4.2Å; V340-I343 HydrophobicContact CB-CD1 4.36Å; V340-I343 HydrophobicContact CG1-CD1 3.7Å; V340-I343 HydrophobicContact CG1-CG1 4.44Å; I343-A358 HydrophobicContact CD1-CB 4.05Å; I343-A358 HydrophobicContact CG2-CB 4.01Å; I343-T360 HydrophobicContact CG2-CG2 4.27Å; I343-Y366 HydrophobicContact CG1-CG 4.44Å; I343-Y366 HydrophobicContact CG2-CD2 3.87Å; I343-Y366 HydrophobicContact CG2-CE2 4.27Å; I343-Y366 HydrophobicContact CG2-CG 4.24Å; I343-W368 HydrophobicContact CD1-CH2 3.7Å; I343-W368 HydrophobicContact CD1-CZ3 3.67Å; I343-P387 HydrophobicContact CD1-CB 3.88Å; I343-P387 HydrophobicContact CD1-CG 3.64Å; I343-P387 HydrophobicContact CG1-CB 3.61Å; I343-P387 HydrophobicContact CG1-CG 3.66Å
344E97.9Very high98.2Very high82 Ų8238.3 Ų38.338%0.38324%0.24SC..  trans-66171.8168.6-54.793.7153.500111.4A346 T360 Y366E344-A346 PolarHBondContact O-N 3.3Å; E344-T360 HydrophobicContact CB-CG2 4.2Å; E344-Y366 PolarHBondContact OE1-OH 2.92Å; E344-Y366 WeakPolarHBondContact OE2-CE2 3.12Å; E344-Y366 PolarHBondContact OE2-OH 3.4Å
345A98.4Very high98.2Very high35 Ų3534.6 Ų34.629%0.28923%0.226SC..  trans-53.9115.6-176.900000111.7T360 R361A345-T360 WeakPolarHBondContact O-CA 3.21Å; A345-R361 WeakPolarHBondContact O-CG 3.41Å; A345-R361 PolarHBondContact O-N 3.33Å
346A98.7Very high98.3Very high1 Ų133.1 Ų33.11%0.00822%0.216CC..EExtended strand (participates in β ladder)trans-79.5152.3-177.500000112.4L308 G312 V314 E344 V359 R361L308-A346 HydrophobicContact CD1-CB 3.7Å; L308-A346 HydrophobicContact CD2-CB 4.42Å; G312-A346 WeakPolarHBondContact CA-O 3.33Å; G312-A346 PolarHBondContact O-N 3.29Å; V314-A346 HydrophobicContact CG2-CB 3.62Å; E344-A346 PolarHBondContact O-N 3.3Å; A346-V359 WeakPolarHBondContact CA-O 3.43Å; A346-R361 PolarHBondContact O-NE 3.17Å
347K97.9Very high98.4Very high80 Ų8028.2 Ų28.235%0.34819%0.193SC..EExtended strand (participates in β ladder)trans-112.1-14.7168.768.9175.3176.5-176.20113.1V359 T360 R361 V400K347-V359 HydrophobicContact CG-CG1 4.28Å; K347-V359 PolarHBondContact N-O 3.45Å; K347-T360 WeakPolarHBondContact CE-O 3.04Å; K347-R361 HydrophobicContact CB-CG 4.02Å; K347-V400 WeakPolarHBondContact CE-O 3.44Å; K347-V400 PolarHBondContact NZ-O 2.81Å
348G98.2Very high98.4Very high15 Ų1527.2 Ų27.216%0.15519%0.186CC..EExtended strand (participates in β ladder)trans-164.7152.1176.900000112.2V359G348-V359 PolarHBondContact N-O 3.37Å; G348-V359 PolarHBondContact O-N 3.08Å
349V98.9Very high98.4Very high5 Ų525.6 Ų25.63%0.0318%0.177CC..EExtended strand (participates in β ladder)trans-125.5150.7177.3-67.80000110.3D297 L306 L308 V314 Y357D297-V349 HydrophobicContact CB-CG2 4.22Å; D297-V349 PolarHBondContact OD2-N 2.88Å; L306-V349 HydrophobicContact CB-CB 4.05Å; L306-V349 HydrophobicContact CB-CG2 4.13Å; L306-V349 HydrophobicContact CD1-CB 4.2Å; L308-V349 HydrophobicContact CB-CG1 4.11Å; L308-V349 HydrophobicContact CB-CG2 4.12Å; V314-V349 HydrophobicContact CG1-CG1 4Å; V314-V349 HydrophobicContact CG2-CG1 3.92Å; V349-Y357 WeakPolarHBondContact CA-O 3.16Å
350S98.8Very high98.4Very high24 Ų2422.2 Ų22.217%0.16815%0.154CC..EExtended strand (participates in β ladder)trans-150.5148.7178.9-62.70000111.2S299 L306 S356 Y357 A403S299-S350 WeakPolarHBondContact OG-CA 3.34Å; L306-S350 WeakPolarHBondContact CD1-O 3.49Å; S350-S356 CarbonylContact O-C 3.09Å; S350-Y357 PolarHBondContact N-O 3.5Å; S350-Y357 PolarHBondContact O-N 3.14Å; S350-A403 PolarHBondContact OG-O 3.07Å
351C98.8Very high98.4Very high12 Ų1228.2 Ų28.28%0.08118%0.177CC..EExtended strand (participates in β ladder)trans-118.1145.7176.8-62.50000108.8S299 G300 G301 V355S299-C351 VanDerWaalsContact C-SG 3.53Å; S299-C351 PolarHBondContact O-SG 3.07Å; S299-C351 VanDerWaalsContact O-SG 3.36Å; S299-C351 WeakPolarHBondContact OG-CB 3.33Å; S299-C351 PolarHBondContact OG-N 2.89Å; S299-C351 PolarHBondContact OG-SG 3.1Å; G300-C351 VanDerWaalsContact C-CB 3.48Å; G301-C351 VanDerWaalsContact N-CB 3.32Å; C351-V355 WeakPolarHBondContact CA-O 3.36Å
352G98.6Very high98.3Very high5 Ų529.5 Ų29.55%0.05217%0.169CC..  trans-96.7-162154.600000110.4G301 S354 V355 S405G301-G352 WeakPolarHBondContact CA-O 3.34Å; G352-S354 PolarHBondContact O-N 2.77Å; G352-V355 PolarHBondContact N-O 3.02Å; G352-S405 VanDerWaalsContact CA-CB 3.48Å; G352-S405 VanDerWaalsContact CA-OG 3.27Å; G352-S405 WeakPolarHBondContact CA-OG 3.3Å
353A98.4Very high98.4Very high19 Ų1926.5 Ų26.516%0.15714%0.139CC..SBendtrans-57.4-48.8177.700000113.1Q302 G406Q302-A353 HydrophobicContact CG-CB 4.24Å; Q302-A353 PolarHBondContact N-O 3.36Å; Q302-A353 VanDerWaalsContact N-O 3.08Å; A353-G406 PolarHBondContact N-O 2.86Å
354S98.7Very high98.4Very high10 Ų1026.1 Ų26.17%0.0714%0.139CC..SBendtrans-137.123.5179.9-64.70000113.3R324 G352 M370R324-S354 PolarHBondContact NH1-OG 3.12Å; G352-S354 PolarHBondContact O-N 2.77Å; S354-M370 PolarHBondContact O-N 2.76Å; S354-M370 VanDerWaalsContact O-N 3.09Å
355V98.9Very high98.4Very high0 Ų022.4 Ų22.40%012%0.121CC..EExtended strand (participates in β ladder)trans-130.8163.7-179.9-66.40000110.8H304 C351 G352 Y357 W368 M370 Q375 L376 S405H304-V355 PolarHBondContact CE1-O 3.08Å; H304-V355 PolarHBondContact NE2-O 2.86Å; H304-V355 VanDerWaalsContact NE2-O 3.14Å; C351-V355 WeakPolarHBondContact CA-O 3.36Å; G352-V355 PolarHBondContact N-O 3.02Å; V355-Y357 HydrophobicContact CB-CE2 4.21Å; V355-Y357 HydrophobicContact CG2-CE2 3.64Å; V355-W368 WeakPolarHBondContact CA-O 3.34Å; V355-M370 HydrophobicContact CG1-CB 4.36Å; V355-M370 WeakPolarHBondContact CG1-O 3.3Å; V355-Q375 HydrophobicContact CG1-CB 4.28Å; V355-Q375 HydrophobicContact CG2-CB 4.33Å; V355-L376 HydrophobicContact CB-CD2 4.25Å; V355-L376 HydrophobicContact CG1-CD2 3.81Å; V355-S405 WeakPolarHBondContact CG2-OG 3.36Å
356S98.9Very high98.4Very high0 Ų021.7 Ų21.70%011%0.111CC..EExtended strand (participates in β ladder)trans-141.1143.2-170.2-74.70000110.5H304 R324 S350 A367 W368H304-S356 PolarHBondContact CD2-OG 2.8Å; H304-S356 PolarHBondContact NE2-OG 2.97Å; R324-S356 PolarHBondContact O-OG 2.84Å; S350-S356 CarbonylContact O-C 3.09Å; S356-A367 VanDerWaalsContact O-CA 3.3Å; S356-A367 WeakPolarHBondContact O-CA 3.3Å; S356-W368 PolarHBondContact N-O 3.43Å; S356-W368 PolarHBondContact O-N 3.06Å; S356-W368 PolarHBondContact OG-NE1 3Å
357Y98.9Very high98.5Very high1 Ų121.7 Ų21.70%0.00411%0.111CC..EExtended strand (participates in β ladder)trans-138.1145.5-178.4-57.7-88000111.7V349 S350 V355 V365 Y366 A367 Q375 M390 A403 S405 T410V349-Y357 WeakPolarHBondContact CA-O 3.16Å; S350-Y357 PolarHBondContact N-O 3.5Å; S350-Y357 PolarHBondContact O-N 3.14Å; V355-Y357 HydrophobicContact CB-CE2 4.21Å; V355-Y357 HydrophobicContact CG2-CE2 3.64Å; Y357-V365 HydrophobicContact CD1-CG2 4.5Å; Y357-Y366 WeakPolarHBondContact CA-O 3.5Å; Y357-A367 HydrophobicContact CD1-CB 3.68Å; Y357-A367 HydrophobicContact CE1-CB 3.53Å; Y357-Q375 VanDerWaalsContact OH-C 3.28Å; Y357-Q375 WeakPolarHBondContact OH-CB 3.5Å; Y357-Q375 PolarHBondContact OH-O 2.67Å; Y357-M390 HydrophobicContact CD1-SD 4.1Å; Y357-M390 HydrophobicContact CE1-SD 4.01Å; Y357-A403 HydrophobicContact CG-CB 4.43Å; Y357-S405 VanDerWaalsContact CE2-CB 3.44Å; Y357-T410 HydrophobicContact CE1-CG2 3.97Å; Y357-T410 HydrophobicContact CE2-CG2 4.11Å; Y357-T410 PolarHBondContact OH-OG1 2.97Å
358A98.9Very high98.5Very high0 Ų017.9 Ų17.90%010%0.095CC..EExtended strand (participates in β ladder)trans-131.8131.8167.500000110V314 I343 V365 Y366 W368V314-A358 HydrophobicContact CG2-CB 3.95Å; I343-A358 HydrophobicContact CD1-CB 4.05Å; I343-A358 HydrophobicContact CG2-CB 4.01Å; A358-V365 WeakPolarHBondContact O-CA 3.44Å; A358-Y366 PolarHBondContact N-O 2.88Å; A358-Y366 PolarHBondContact O-N 3.23Å; A358-W368 HydrophobicContact CB-CH2 3.98Å; A358-W368 HydrophobicContact CB-CZ3 4Å
359V98.8Very high98.5Very high5 Ų517.1 Ų17.13%0.039%0.087CC..EExtended strand (participates in β ladder)trans-103.9124.2173.6-177.50000108.5A346 K347 G348 S364 V365 V400 A403A346-V359 WeakPolarHBondContact CA-O 3.43Å; K347-V359 HydrophobicContact CG-CG1 4.28Å; K347-V359 PolarHBondContact N-O 3.45Å; G348-V359 PolarHBondContact N-O 3.37Å; G348-V359 PolarHBondContact O-N 3.08Å; V359-S364 CarbonylContact C-O 3.57Å; V359-S364 WeakPolarHBondContact CA-O 3.35Å; V359-V365 HydrophobicContact CG2-CB 4.47Å; V359-V365 HydrophobicContact CG2-CG2 4.1Å; V359-V400 HydrophobicContact CG1-CB 4.05Å; V359-V400 HydrophobicContact CG1-CG1 4Å; V359-V400 VanDerWaalsContact CG1-O 3.25Å; V359-V400 WeakPolarHBondContact CG1-O 3.38Å; V359-V400 HydrophobicContact CG2-CG1 3.93Å; V359-A403 HydrophobicContact CG2-CB 3.98Å
360T98.7Very high98.5Very high0 Ų018.4 Ų18.40%09%0.093CC..EExtended strand (participates in β ladder)trans-80.1160.4-178.282.90000112.5I343 E344 A345 K347 E362 G363 S364 Y366I343-T360 HydrophobicContact CG2-CG2 4.27Å; E344-T360 HydrophobicContact CB-CG2 4.2Å; A345-T360 WeakPolarHBondContact O-CA 3.21Å; K347-T360 WeakPolarHBondContact CE-O 3.04Å; T360-E362 WeakPolarHBondContact CB-OE2 3.42Å; T360-E362 PolarHBondContact O-N 3.38Å; T360-E362 PolarHBondContact OG1-N 2.75Å; T360-E362 PolarHBondContact OG1-OE2 3.38Å; T360-E362 VanDerWaalsContact OG1-OE2 3.09Å; T360-G363 PolarHBondContact O-N 3.26Å; T360-G363 PolarHBondContact OG1-N 2.93Å; T360-S364 PolarHBondContact N-O 3.19Å; T360-S364 PolarHBondContact OG1-N 3.04Å; T360-S364 VanDerWaalsContact OG1-N 3.09Å; T360-Y366 HydrophobicContact CG2-CD2 3.92Å; T360-Y366 HydrophobicContact CG2-CE2 3.69Å
361R97.7Very high98.5Very high127 Ų12717.3 Ų17.348%0.4799%0.085SC..THydrogen-bonded Turntrans-60.1-30.7174.8-71.8172.5-174.6-172.7-2.6112A310 E311 A345 A346 K347 G363A310-R361 PolarHBondContact O-NH2 3.02Å; E311-R361 PolarHBondContact O-NH2 3.03Å; A345-R361 WeakPolarHBondContact O-CG 3.41Å; A345-R361 PolarHBondContact O-N 3.33Å; A346-R361 PolarHBondContact O-NE 3.17Å; K347-R361 HydrophobicContact CB-CG 4.02Å; R361-G363 VanDerWaalsContact C-N 3.25Å; R361-G363 PolarHBondContact O-N 2.85Å
362E96.6Very high98.5Very high106 Ų10620.4 Ų20.450%0.49510%0.104SC..THydrogen-bonded Turntrans-82.90.7177.2-54.871.3-155.200113.1T360T360-E362 WeakPolarHBondContact CB-OE2 3.42Å; T360-E362 PolarHBondContact O-N 3.38Å; T360-E362 PolarHBondContact OG1-N 2.75Å; T360-E362 PolarHBondContact OG1-OE2 3.38Å; T360-E362 VanDerWaalsContact OG1-OE2 3.09Å
363G97.2Very high98.4Very high3 Ų321.2 Ų21.23%0.03111%0.107CC..SBendtrans81.519.5175.700000114.9T360 R361 V400T360-G363 PolarHBondContact O-N 3.26Å; T360-G363 PolarHBondContact OG1-N 2.93Å; R361-G363 VanDerWaalsContact C-N 3.25Å; R361-G363 PolarHBondContact O-N 2.85Å; G363-V400 PolarHBondContact O-N 3.15Å
364S98.2Very high98.4Very high19 Ų1920.4 Ų20.413%0.13310%0.101CC..  trans-80.8157.7165.9-61.60000110.2V359 T360 K389V359-S364 CarbonylContact C-O 3.57Å; V359-S364 WeakPolarHBondContact CA-O 3.35Å; T360-S364 PolarHBondContact N-O 3.19Å; T360-S364 PolarHBondContact OG1-N 3.04Å; T360-S364 VanDerWaalsContact OG1-N 3.09Å; S364-K389 VanDerWaalsContact OG-CE 3.28Å; S364-K389 WeakPolarHBondContact OG-CE 3.44Å; S364-K389 PolarHBondContact OG-NZ 3.02Å
365V98.7Very high98.4Very high3 Ų320 Ų202%0.01810%0.097CC..EExtended strand (participates in β ladder)trans-127.4135.3171.663.80000110.1Y357 A358 V359 M390 L395 V400 A403Y357-V365 HydrophobicContact CD1-CG2 4.5Å; A358-V365 WeakPolarHBondContact O-CA 3.44Å; V359-V365 HydrophobicContact CG2-CB 4.47Å; V359-V365 HydrophobicContact CG2-CG2 4.1Å; V365-M390 HydrophobicContact CB-SD 4.43Å; V365-M390 HydrophobicContact CG1-CB 3.81Å; V365-M390 HydrophobicContact CG1-CG 3.98Å; V365-M390 HydrophobicContact CG1-SD 3.66Å; V365-M390 HydrophobicContact CG2-SD 3.9Å; V365-M390 PolarHBondContact O-N 2.83Å; V365-L395 HydrophobicContact CG1-CD1 4.4Å; V365-V400 HydrophobicContact CB-CB 4.24Å; V365-V400 HydrophobicContact CB-CG1 4.17Å; V365-V400 HydrophobicContact CB-CG2 3.99Å; V365-V400 HydrophobicContact CG1-CG2 3.77Å; V365-A403 HydrophobicContact CG2-CB 4.45Å
366Y98.9Very high98.4Very high20 Ų2020 Ų208%0.07810%0.097CC..EExtended strand (participates in β ladder)trans-112.1145.2175-70.2-101.4000109.5I343 E344 Y357 A358 T360 P387 V388 K389I343-Y366 HydrophobicContact CG1-CG 4.44Å; I343-Y366 HydrophobicContact CG2-CD2 3.87Å; I343-Y366 HydrophobicContact CG2-CE2 4.27Å; I343-Y366 HydrophobicContact CG2-CG 4.24Å; E344-Y366 PolarHBondContact OE1-OH 2.92Å; E344-Y366 WeakPolarHBondContact OE2-CE2 3.12Å; E344-Y366 PolarHBondContact OE2-OH 3.4Å; Y357-Y366 WeakPolarHBondContact CA-O 3.5Å; A358-Y366 PolarHBondContact N-O 2.88Å; A358-Y366 PolarHBondContact O-N 3.23Å; T360-Y366 HydrophobicContact CG2-CD2 3.92Å; T360-Y366 HydrophobicContact CG2-CE2 3.69Å; Y366-P387 HydrophobicContact CD1-CB 4.02Å; Y366-P387 HydrophobicContact CG-CB 4.46Å; Y366-V388 CarbonylContact C-O 3.59Å; Y366-V388 VanDerWaalsContact CA-O 3.27Å; Y366-V388 WeakPolarHBondContact CA-O 3.23Å; Y366-K389 HydrophobicContact CD1-CB 4.04Å; Y366-K389 HydrophobicContact CE1-CB 3.64Å; Y366-K389 HydrophobicContact CE1-CG 4.29Å; Y366-K389 HydrophobicContact CE2-CG 4.46Å
367A98.9Very high98.3Very high1 Ų120.1 Ų20.11%0.00810%0.098CC..EExtended strand (participates in β ladder)trans-131.4147.5176.300000110.7S356 Y357 L376 V388 M390S356-A367 VanDerWaalsContact O-CA 3.3Å; S356-A367 WeakPolarHBondContact O-CA 3.3Å; Y357-A367 HydrophobicContact CD1-CB 3.68Å; Y357-A367 HydrophobicContact CE1-CB 3.53Å; A367-L376 HydrophobicContact CB-CB 4.38Å; A367-L376 HydrophobicContact CB-CD2 4.15Å; A367-V388 PolarHBondContact N-O 2.82Å; A367-V388 PolarHBondContact O-N 2.9Å; A367-M390 HydrophobicContact CB-CG 3.8Å; A367-M390 HydrophobicContact CB-SD 3.92Å
368W98.9Very high98.2Very high0 Ų021.9 Ų21.90%011%0.109CC..EExtended strand (participates in β ladder)trans-157.1167.1170.961.794.6000110.7L306 V314 R324 L325 V340 I343 V355 S356 A358 E384 P387L306-W368 HydrophobicContact CD1-CH2 4.16Å; L306-W368 HydrophobicContact CD1-CZ2 3.88Å; L306-W368 HydrophobicContact CD2-CZ2 3.67Å; L306-W368 HydrophobicContact CG-CZ2 4.43Å; V314-W368 HydrophobicContact CG1-CH2 4.17Å; V314-W368 HydrophobicContact CG1-CZ2 4.41Å; R324-W368 PolarHBondContact O-NE1 3.43Å; R324-W368 VanDerWaalsContact O-NE1 3.13Å; L325-W368 VanDerWaalsContact C-NE1 3.31Å; L325-W368 PolarHBondContact O-NE1 2.83Å; V340-W368 HydrophobicContact CG1-CZ2 4.39Å; I343-W368 HydrophobicContact CD1-CH2 3.7Å; I343-W368 HydrophobicContact CD1-CZ3 3.67Å; V355-W368 WeakPolarHBondContact CA-O 3.34Å; S356-W368 PolarHBondContact N-O 3.43Å; S356-W368 PolarHBondContact O-N 3.06Å; S356-W368 PolarHBondContact OG-NE1 3Å; A358-W368 HydrophobicContact CB-CH2 3.98Å; A358-W368 HydrophobicContact CB-CZ3 4Å; W368-E384 HydrophobicContact CB-CB 4.44Å; W368-P387 HydrophobicContact CD2-CB 4.39Å; W368-P387 HydrophobicContact CD2-CG 4.15Å; W368-P387 HydrophobicContact CE3-CB 3.72Å; W368-P387 HydrophobicContact CE3-CG 3.87Å; W368-P387 HydrophobicContact CZ3-CB 4.12Å; W368-P387 HydrophobicContact CZ3-CG 4.22Å
369G98.8Very high97.9Very high0 Ų022.4 Ų22.40%012%0.115CC..EExtended strand (participates in β ladder)trans112.4-150.7-176.700000113Y322 G371 L376 D383 E384Y322-G369 CarbonylContact O-C 3.23Å; Y322-G369 WeakPolarHBondContact O-CA 3.48Å; G369-G371 PolarHBondContact O-N 3.01Å; G369-L376 WeakPolarHBondContact O-CD1 3.22Å; G369-D383 WeakPolarHBondContact O-CA 3.42Å; G369-E384 PolarHBondContact N-O 3.3Å; G369-E384 PolarHBondContact O-N 3.39Å
370M98.7Very high97.7Very high32 Ų3227.9 Ų27.916%0.15814%0.14CC..  trans-68.5125.8-173.8-170.5-174.278.500112.8Y322 S354 V355 N373 D383Y322-M370 HydrophobicContact CD2-CB 4.46Å; Y322-M370 HydrophobicContact CD2-CG 4.33Å; Y322-M370 HydrophobicContact CD2-SD 4.24Å; Y322-M370 HydrophobicContact CG-CB 4.42Å; Y322-M370 HydrophobicContact CG-CG 4.32Å; Y322-M370 PolarHBondContact O-N 2.92Å; S354-M370 PolarHBondContact O-N 2.76Å; S354-M370 VanDerWaalsContact O-N 3.09Å; V355-M370 HydrophobicContact CG1-CB 4.36Å; V355-M370 WeakPolarHBondContact CG1-O 3.3Å; M370-N373 VanDerWaalsContact CE-ND2 3.34Å; M370-N373 WeakPolarHBondContact CE-ND2 3.5Å; M370-D383 VanDerWaalsContact CA-OD1 3.26Å; M370-D383 WeakPolarHBondContact CA-OD1 3.31Å
371G98.2Very high97.6Very high0 Ų032.2 Ų32.20%016%0.161CC..  trans-86.8-20.5-17600000115.5G369 N373 L374 E381 E382 D383G369-G371 PolarHBondContact O-N 3.01Å; G371-N373 PolarHBondContact O-N 3.29Å; G371-L374 PolarHBondContact O-N 2.89Å; G371-E381 CarbonylContact C-O 3.33Å; G371-E381 VanDerWaalsContact CA-O 3.31Å; G371-E381 WeakPolarHBondContact CA-O 3.4Å; G371-E382 WeakPolarHBondContact CA-O 3.49Å; G371-D383 PolarHBondContact N-OD1 3.36Å
372T98.2Very high97.6Very high77 Ų7731.8 Ų31.847%0.47216%0.164SC..THydrogen-bonded Turntrans-53.2-33.6-167-44.40000115L374 E381T372-L374 VanDerWaalsContact C-N 3.35Å; T372-E381 PolarHBondContact N-O 3.02Å
373N98.2Very high97.7Very high22 Ų2228.9 Ų28.912%0.11815%0.152CC..THydrogen-bonded Turntrans-92.69.3-178.9-66.5-33.5000113.4G45 Q46 M370 G371 Q375 G407 Q408G45-N373 WeakPolarHBondContact CA-O 3.44Å; Q46-N373 HydrophobicContact CG-CB 4.24Å; M370-N373 VanDerWaalsContact CE-ND2 3.34Å; M370-N373 WeakPolarHBondContact CE-ND2 3.5Å; G371-N373 PolarHBondContact O-N 3.29Å; N373-Q375 HydrophobicContact CB-CG 3.81Å; N373-Q375 PolarHBondContact ND2-OE1 3.34Å; N373-Q375 PolarHBondContact O-N 2.72Å; N373-Q375 VanDerWaalsContact O-N 3.08Å; N373-G407 PolarHBondContact ND2-O 2.84Å; N373-Q408 HydrophobicContact CB-CB 4.32Å
374L98.3Very high97.8Very high3 Ų331.4 Ų31.42%0.01616%0.163CC..SBendtrans60.217.1-177.5-57.7163.8000114.2E60 R62 G371 T372 L376 G377 E381E60-L374 HydrophobicContact CB-CD1 4.45Å; R62-L374 HydrophobicContact CB-CD1 4.45Å; R62-L374 HydrophobicContact CB-CD2 4.41Å; R62-L374 HydrophobicContact CG-CD1 3.5Å; R62-L374 VanDerWaalsContact CG-CD1 3.5Å; R62-L374 HydrophobicContact CG-CD2 3.84Å; R62-L374 HydrophobicContact CG-CG 4.18Å; G371-L374 PolarHBondContact O-N 2.89Å; T372-L374 VanDerWaalsContact C-N 3.35Å; L374-L376 PolarHBondContact O-N 2.66Å; L374-G377 PolarHBondContact O-N 2.8Å; L374-E381 HydrophobicContact CD2-CG 3.49Å; L374-E381 VanDerWaalsContact CD2-CG 3.49Å; L374-E381 HydrophobicContact CG-CG 4.14Å
375Q98.5Very high97.8Very high0 Ų034 Ų340%017%0.17CC..THydrogen-bonded Turntrans-68.8-19.4-176.6-72.1178.6-85.700112.4L44 V355 Y357 N373 G377 S405 G406 G407 Q408 H409L44-Q375 WeakPolarHBondContact CD1-O 3.37Å; V355-Q375 HydrophobicContact CG1-CB 4.28Å; V355-Q375 HydrophobicContact CG2-CB 4.33Å; Y357-Q375 VanDerWaalsContact OH-C 3.28Å; Y357-Q375 WeakPolarHBondContact OH-CB 3.5Å; Y357-Q375 PolarHBondContact OH-O 2.67Å; N373-Q375 HydrophobicContact CB-CG 3.81Å; N373-Q375 PolarHBondContact ND2-OE1 3.34Å; N373-Q375 PolarHBondContact O-N 2.72Å; N373-Q375 VanDerWaalsContact O-N 3.08Å; Q375-G377 VanDerWaalsContact C-N 3.34Å; Q375-S405 PolarHBondContact NE2-OG 3.42Å; Q375-G406 PolarHBondContact NE2-O 3.29Å; Q375-G407 PolarHBondContact OE1-O 2.93Å; Q375-Q408 VanDerWaalsContact CD-C 3.43Å; Q375-Q408 WeakPolarHBondContact CG-O 3.46Å; Q375-H409 PolarHBondContact NE2-O 2.86Å; Q375-H409 VanDerWaalsContact NE2-O 3.13Å
376L98.5Very high97.8Very high1 Ų136.5 Ų36.51%0.00519%0.188CC..THydrogen-bonded Turntrans-77.4-18.4-178-53-177.7000113.2V355 A367 G369 L374 T378 E384V355-L376 HydrophobicContact CB-CD2 4.25Å; V355-L376 HydrophobicContact CG1-CD2 3.81Å; A367-L376 HydrophobicContact CB-CB 4.38Å; A367-L376 HydrophobicContact CB-CD2 4.15Å; G369-L376 WeakPolarHBondContact O-CD1 3.22Å; L374-L376 PolarHBondContact O-N 2.66Å; L376-T378 HydrophobicContact CB-CG2 4.13Å; L376-T378 PolarHBondContact O-N 2.94Å; L376-E384 HydrophobicContact CD1-CB 3.82Å; L376-E384 HydrophobicContact CD1-CG 3.55Å
377G97.1Very high97.8Very high2 Ų236.5 Ų36.52%0.02119%0.19CC..  trans68.212.5178.800000115.2L44 L374 Q375 G379L44-G377 VanDerWaalsContact CD1-CA 3.45Å; L374-G377 PolarHBondContact O-N 2.8Å; Q375-G377 VanDerWaalsContact C-N 3.34Å; G377-G379 VanDerWaalsContact C-N 3.29Å
378T95.9Very high97.8Very high38 Ų3838.7 Ų38.723%0.23320%0.203CC..SBendtrans-67.5-33.7174.954.10000111.1L376 E380 E384 V388L376-T378 HydrophobicContact CB-CG2 4.13Å; L376-T378 PolarHBondContact O-N 2.94Å; T378-E380 PolarHBondContact OG1-N 2.99Å; T378-E380 PolarHBondContact OG1-O 3.07Å; T378-E384 HydrophobicContact CG2-CG 4.21Å; T378-V388 HydrophobicContact CG2-CG1 4.18Å
379G93.3Very high97.8Very high12 Ų1242.6 Ų42.612%0.12422%0.22CC..SBendtrans111.6-14-173.400000112.9G377G377-G379 VanDerWaalsContact C-N 3.29Å
380E94.8Very high97.7Very high119 Ų11943 Ų4356%0.55622%0.222SC*.SBendtrans-120.6170.1-172.3-44.7-64.8156.300110.7T378 E382T378-E380 PolarHBondContact OG1-N 2.99Å; T378-E380 PolarHBondContact OG1-O 3.07Å; E380-E382 WeakPolarHBondContact CB-OE2 3.17Å
381E96.8Very high97.6Very high92 Ų9246.8 Ų46.843%0.4324%0.241SC..  trans-104.12.5-172.6-70171.1-153.200113.2R62 G371 T372 L374R62-E381 IonicContact CZ-OE1 3.81Å; R62-E381 IonicContact NH1-OE1 3.98Å; R62-E381 PolarHBondContact NH1-OE1 3.32Å; R62-E381 VanDerWaalsContact NH1-OE1 3.1Å; R62-E381 IonicContact NH2-OE1 2.66Å; R62-E381 PolarHBondContact NH2-OE1 2.88Å; G371-E381 CarbonylContact C-O 3.33Å; G371-E381 VanDerWaalsContact CA-O 3.31Å; G371-E381 WeakPolarHBondContact CA-O 3.4Å; T372-E381 PolarHBondContact N-O 3.02Å; L374-E381 HydrophobicContact CD2-CG 3.49Å; L374-E381 VanDerWaalsContact CD2-CG 3.49Å; L374-E381 HydrophobicContact CG-CG 4.14Å
382E98.1Very high97.5Very high118 Ų11847.6 Ų47.655%0.55125%0.249SC*.SBendtrans-72.1142.9179.9-71.877.5177.200111.9G371 E380G371-E382 WeakPolarHBondContact CA-O 3.49Å; E380-E382 WeakPolarHBondContact CB-OE2 3.17Å
383D98.5Very high97.4Very high45 Ų4552.1 Ų52.124%0.24126%0.262CS..  trans-69.3134.5174.7-63.5-20.1000110.7Y322 G369 M370 G371Y322-D383 WeakPolarHBondContact CD1-OD2 3.36Å; G369-D383 WeakPolarHBondContact O-CA 3.42Å; M370-D383 VanDerWaalsContact CA-OD1 3.26Å; M370-D383 WeakPolarHBondContact CA-OD1 3.31Å; G371-D383 PolarHBondContact N-OD1 3.36Å
384E98.6Very high97.4Very high55 Ų5553.5 Ų53.526%0.25727%0.268SS..EExtended strand (participates in β ladder)trans-102114.3175.8-67.2-66.8175.500109.9W368 G369 L376 T378 V388W368-E384 HydrophobicContact CB-CB 4.44Å; G369-E384 PolarHBondContact N-O 3.3Å; G369-E384 PolarHBondContact O-N 3.39Å; L376-E384 HydrophobicContact CD1-CB 3.82Å; L376-E384 HydrophobicContact CD1-CG 3.55Å; T378-E384 HydrophobicContact CG2-CG 4.21Å; E384-V388 HydrophobicContact CB-CG2 4.2Å; E384-V388 HydrophobicContact CG-CG2 3.94Å; E384-V388 VanDerWaalsContact OE2-CG2 3.32Å; E384-V388 WeakPolarHBondContact OE2-CG2 3.44Å
385W98.6Very high97.3Very high73 Ų7354.4 Ų54.428%0.27727%0.272SS..EExtended strand (participates in β ladder)trans-86.6-11.7-176.9-66.576.6000113.6G326 L327 G328 E329G326-W385 CarbonylContact C-O 2.93Å; G326-W385 VanDerWaalsContact CA-O 3.28Å; G326-W385 WeakPolarHBondContact CA-O 3.27Å; L327-W385 PolarHBondContact N-O 2.85Å; G328-W385 WeakPolarHBondContact CA-O 3.28Å; G328-W385 PolarHBondContact N-O 2.66Å; E329-W385 HydrophobicContact CG-CB 4Å; E329-W385 HydrophobicContact CG-CD2 4.49Å; E329-W385 HydrophobicContact CG-CG 3.96Å
386S98.6Very high97.2Very high57 Ų5760.2 Ų60.240%0.39930%0.3SS..EExtended strand (participates in β ladder)trans-129.2156.1174.8-57.30000109.8V388S386-V388 PolarHBondContact O-N 3.45Å
387P98.8Very high97Very high20 Ų2066.6 Ų66.613%0.1333%0.334CS..EExtended strand (participates in β ladder)trans-57.6123.2176.5-24.434.7000112.4G326 V340 I343 Y366 W368G326-P387 WeakPolarHBondContact O-CD 3.43Å; V340-P387 HydrophobicContact CG1-CG 3.39Å; I343-P387 HydrophobicContact CD1-CB 3.88Å; I343-P387 HydrophobicContact CD1-CG 3.64Å; I343-P387 HydrophobicContact CG1-CB 3.61Å; I343-P387 HydrophobicContact CG1-CG 3.66Å; Y366-P387 HydrophobicContact CD1-CB 4.02Å; Y366-P387 HydrophobicContact CG-CB 4.46Å; W368-P387 HydrophobicContact CD2-CB 4.39Å; W368-P387 HydrophobicContact CD2-CG 4.15Å; W368-P387 HydrophobicContact CE3-CB 3.72Å; W368-P387 HydrophobicContact CE3-CG 3.87Å; W368-P387 HydrophobicContact CZ3-CB 4.12Å; W368-P387 HydrophobicContact CZ3-CG 4.22Å
388V98.5Very high97.1Very high47 Ų4768.2 Ų68.229%0.28534%0.339SS..EExtended strand (participates in β ladder)trans-110.7130.3173.9-179.80000109.6Y366 A367 T378 E384 S386 M390Y366-V388 CarbonylContact C-O 3.59Å; Y366-V388 VanDerWaalsContact CA-O 3.27Å; Y366-V388 WeakPolarHBondContact CA-O 3.23Å; A367-V388 PolarHBondContact N-O 2.82Å; A367-V388 PolarHBondContact O-N 2.9Å; T378-V388 HydrophobicContact CG2-CG1 4.18Å; E384-V388 HydrophobicContact CB-CG2 4.2Å; E384-V388 HydrophobicContact CG-CG2 3.94Å; E384-V388 VanDerWaalsContact OE2-CG2 3.32Å; E384-V388 WeakPolarHBondContact OE2-CG2 3.44Å; S386-V388 PolarHBondContact O-N 3.45Å; V388-M390 PolarHBondContact O-N 2.65Å
389K98.3Very high97.1Very high82 Ų8268.5 Ų68.536%0.35734%0.338SS..EExtended strand (participates in β ladder)trans-67.5121.1175.7-171.1172.1-173.6150.10109.8S364 Y366 M391S364-K389 VanDerWaalsContact OG-CE 3.28Å; S364-K389 WeakPolarHBondContact OG-CE 3.44Å; S364-K389 PolarHBondContact OG-NZ 3.02Å; Y366-K389 HydrophobicContact CD1-CB 4.04Å; Y366-K389 HydrophobicContact CE1-CB 3.64Å; Y366-K389 HydrophobicContact CE1-CG 4.29Å; Y366-K389 HydrophobicContact CE2-CG 4.46Å; K389-M391 HydrophobicContact CD-SD 4.12Å; K389-M391 HydrophobicContact CG-SD 4.02Å
390M98.3Very high97.4Very high7 Ų768.1 Ų68.13%0.03433%0.333CS..  trans-72.5134177.2-51.6175.266.500109.9L44 P64 Y357 V365 A367 V388 L395 L412L44-M390 HydrophobicContact CD1-CE 3.72Å; L44-M390 HydrophobicContact CD2-CE 4.06Å; P64-M390 HydrophobicContact CG-CE 4.28Å; Y357-M390 HydrophobicContact CD1-SD 4.1Å; Y357-M390 HydrophobicContact CE1-SD 4.01Å; V365-M390 HydrophobicContact CB-SD 4.43Å; V365-M390 HydrophobicContact CG1-CB 3.81Å; V365-M390 HydrophobicContact CG1-CG 3.98Å; V365-M390 HydrophobicContact CG1-SD 3.66Å; V365-M390 HydrophobicContact CG2-SD 3.9Å; V365-M390 PolarHBondContact O-N 2.83Å; A367-M390 HydrophobicContact CB-CG 3.8Å; A367-M390 HydrophobicContact CB-SD 3.92Å; V388-M390 PolarHBondContact O-N 2.65Å; M390-L395 HydrophobicContact CB-CD1 4Å; M390-L412 HydrophobicContact CE-CD1 4.26Å
391M96.1Very high97.6Very high113 Ų11363.6 Ų63.656%0.55731%0.313SS*.  trans-131.4155.3-178.4-59.8-61-67.300110.7K389K389-M391 HydrophobicContact CD-SD 4.12Å; K389-M391 HydrophobicContact CG-SD 4.02Å
392G94.6Very high97.6Very high16 Ų1660.9 Ų60.917%0.16530%0.3CS..  trans160164.8173.100000112.3Q394 L395 E396G392-Q394 PolarHBondContact O-N 3.09Å; G392-L395 WeakPolarHBondContact O-CA 3.48Å; G392-L395 PolarHBondContact O-N 2.85Å; G392-E396 PolarHBondContact O-N 2.84Å; G392-E396 VanDerWaalsContact O-N 3.15Å
393K96.6Very high97.7Very high172 Ų17255.4 Ų55.475%0.74828%0.275SS*.THydrogen-bonded Turntrans-51.5-36.3-176-175.7178.2178.6179.50113.8L395K393-L395 VanDerWaalsContact C-N 3.31Å
394Q97.8Very high97.7Very high51 Ų5154 Ų5424%0.23827%0.269CS..THydrogen-bonded Turntrans-80.8-8.9-179.6-65.5-61.2-29.700114.3L42 P64 G392 R398L42-Q394 HydrophobicContact CD1-CB 3.86Å; L42-Q394 HydrophobicContact CD2-CB 3.93Å; L42-Q394 HydrophobicContact CD2-CG 4.44Å; P64-Q394 WeakPolarHBondContact O-CG 3.31Å; G392-Q394 PolarHBondContact O-N 3.09Å; Q394-R398 WeakPolarHBondContact O-CD 3.22Å; Q394-R398 PolarHBondContact O-NH1 2.87Å
395L97.5Very high97.7Very high22 Ų2251.9 Ų51.912%0.11526%0.26CS..THydrogen-bonded Turntrans-103-14.4174.7-65.7177.1000112.4L42 P64 V365 M390 G392 K393 N397 R398 V400 L412 V414L42-L395 HydrophobicContact CD1-CD2 3.68Å; L42-L395 HydrophobicContact CD1-CG 4.34Å; P64-L395 HydrophobicContact CG-CD1 3.98Å; P64-L395 HydrophobicContact CG-CG 4.26Å; V365-L395 HydrophobicContact CG1-CD1 4.4Å; M390-L395 HydrophobicContact CB-CD1 4Å; G392-L395 WeakPolarHBondContact O-CA 3.48Å; G392-L395 PolarHBondContact O-N 2.85Å; K393-L395 VanDerWaalsContact C-N 3.31Å; L395-N397 PolarHBondContact O-N 3.12Å; L395-R398 PolarHBondContact O-N 3.07Å; L395-V400 HydrophobicContact CD2-CG2 3.88Å; L395-L412 HydrophobicContact CD2-CD1 4.16Å; L395-V414 HydrophobicContact CD2-CG1 4.07Å
396E95.8Very high97.6Very high123 Ų12348.7 Ų48.758%0.57525%0.249SC*.THydrogen-bonded Turntrans-60.2134173.2-72.7169.2-156.800110.6G392 R398G392-E396 PolarHBondContact O-N 2.84Å; G392-E396 VanDerWaalsContact O-N 3.15Å; E396-R398 PolarHBondContact O-N 3.36Å; E396-R398 VanDerWaalsContact O-N 3.1Å
397N95.1Very high97.5Very high135 Ų13547 Ų4772%0.72224%0.241SC*.THydrogen-bonded Turntrans55.522.9-177.8-57.1-34000115L395 K417L395-N397 PolarHBondContact O-N 3.12Å; N397-K417 WeakPolarHBondContact O-CB 3.36Å; N397-K417 PolarHBondContact O-N 3.04Å
398R97.6Very high97.5Very high36 Ų3648.9 Ų48.914%0.13625%0.248CC..EExtended strand (participates in β ladder)trans-120.6154.4174.5-61.6-161.4177.1139.1-8.3112.1Q394 L395 E396 V414 K415 D416 K417Q394-R398 WeakPolarHBondContact O-CD 3.22Å; Q394-R398 PolarHBondContact O-NH1 2.87Å; L395-R398 PolarHBondContact O-N 3.07Å; E396-R398 PolarHBondContact O-N 3.36Å; E396-R398 VanDerWaalsContact O-N 3.1Å; R398-V414 HydrophobicContact CB-CB 4.36Å; R398-K415 CarbonylContact C-O 3.5Å; R398-K415 WeakPolarHBondContact CA-O 3.31Å; R398-K415 WeakPolarHBondContact CB-O 3.25Å; R398-D416 WeakPolarHBondContact CD-OD1 3.29Å; R398-D416 WeakPolarHBondContact CG-OD1 3.41Å; R398-D416 IonicContact CZ-OD1 2.94Å; R398-D416 IonicContact NE-OD1 3.03Å; R398-D416 PolarHBondContact NE-OD1 2.95Å; R398-D416 IonicContact NH2-OD1 3.41Å; R398-K417 WeakPolarHBondContact O-CE 3.49Å
399E97.6Very high97.5Very high43 Ų4346.6 Ų46.620%0.20123%0.234CC..EExtended strand (participates in β ladder)trans-104135166.460.8-176.4-179.300109.4L401 V414 K415 K417E399-L401 HydrophobicContact CG-CD2 4.01Å; E399-V414 CarbonylContact O-C 3.22Å; E399-V414 VanDerWaalsContact O-CA 3.28Å; E399-V414 WeakPolarHBondContact O-CA 3.12Å; E399-K415 HydrophobicContact CG-CB 4Å; E399-K415 HydrophobicContact CG-CG 4.47Å; E399-K415 PolarHBondContact N-O 3.13Å; E399-K415 PolarHBondContact O-N 3.39Å; E399-K415 WeakPolarHBondContact OE1-CD 3.28Å; E399-K415 WeakPolarHBondContact OE1-CE 3.46Å; E399-K415 IonicContact OE1-NZ 2.77Å; E399-K415 PolarHBondContact OE1-NZ 2.81Å; E399-K417 HydrophobicContact CB-CG 4.48Å
400V98.6Very high97.6Very high4 Ų442.7 Ų42.72%0.02422%0.217CC..EExtended strand (participates in β ladder)trans-81.5126171.8-175.40000108.7K347 V359 G363 V365 L395 V414K347-V400 WeakPolarHBondContact CE-O 3.44Å; K347-V400 PolarHBondContact NZ-O 2.81Å; V359-V400 HydrophobicContact CG1-CB 4.05Å; V359-V400 HydrophobicContact CG1-CG1 4Å; V359-V400 VanDerWaalsContact CG1-O 3.25Å; V359-V400 WeakPolarHBondContact CG1-O 3.38Å; V359-V400 HydrophobicContact CG2-CG1 3.93Å; G363-V400 PolarHBondContact O-N 3.15Å; V365-V400 HydrophobicContact CB-CB 4.24Å; V365-V400 HydrophobicContact CB-CG1 4.17Å; V365-V400 HydrophobicContact CB-CG2 3.99Å; V365-V400 HydrophobicContact CG1-CG2 3.77Å; L395-V400 HydrophobicContact CD2-CG2 3.88Å; V400-V414 HydrophobicContact CG2-CG1 4.1Å
401L98.3Very high97.6Very high24 Ų2442.4 Ų42.413%0.12622%0.216CC..EExtended strand (participates in β ladder)trans-92.1-42.8178.1-55.6-173.4000110.8E37 E399 L413 K415E37-L401 HydrophobicContact CB-CD1 3.8Å; E37-L401 WeakPolarHBondContact OE2-CD2 3.19Å; E399-L401 HydrophobicContact CG-CD2 4.01Å; L401-L413 HydrophobicContact CB-CB 4.31Å; L401-L413 HydrophobicContact CB-CD2 4.12Å; L401-L413 HydrophobicContact CB-CG 4.18Å; L401-L413 WeakPolarHBondContact CB-O 3.35Å; L401-L413 HydrophobicContact CD1-CD2 4.1Å; L401-L413 HydrophobicContact CD1-CG 4.15Å; L401-L413 PolarHBondContact N-O 2.84Å; L401-K415 HydrophobicContact CD1-CB 3.94Å; L401-K415 HydrophobicContact CD2-CB 4.24Å; L401-K415 HydrophobicContact CG-CB 4.18Å
402Q98.4Very high97.7Very high36 Ų3637 Ų3717%0.16819%0.189CC..EExtended strand (participates in β ladder)trans-149.8147.3-175.3-164-166.7-12.100110.1V76 L412 L413V76-Q402 VanDerWaalsContact N-OE1 3.11Å; V76-Q402 VanDerWaalsContact O-CD 3.32Å; V76-Q402 PolarHBondContact O-NE2 3.03Å; V76-Q402 PolarHBondContact O-OE1 3.03Å; Q402-L412 CarbonylContact O-C 3.59Å; Q402-L412 WeakPolarHBondContact O-CA 3.42Å; Q402-L413 HydrophobicContact CB-CB 3.93Å; Q402-L413 PolarHBondContact N-O 3.21Å; Q402-L413 PolarHBondContact O-N 2.9Å
403A98.6Very high97.9Very high2 Ų236.4 Ų36.42%0.01718%0.182CC..EExtended strand (participates in β ladder)trans-119.1148.5162.400000109S350 Y357 V359 V365 L412S350-A403 PolarHBondContact OG-O 3.07Å; Y357-A403 HydrophobicContact CG-CB 4.43Å; V359-A403 HydrophobicContact CG2-CB 3.98Å; V365-A403 HydrophobicContact CG2-CB 4.45Å; A403-L412 HydrophobicContact CB-CD2 3.54Å
404S98.8Very high98Very high16 Ų1628.2 Ų28.211%0.11215%0.147CC..EExtended strand (participates in β ladder)trans-150.3137.6171-176.10000108.5V77 A78 A411V77-S404 WeakPolarHBondContact CA-OG 3.39Å; A78-S404 PolarHBondContact N-OG 2.68Å; S404-A411 PolarHBondContact N-O 2.84Å; S404-A411 PolarHBondContact O-N 3.41Å; S404-A411 VanDerWaalsContact O-O 3.12Å
405S98.8Very high98Very high10 Ų1028.8 Ų28.87%0.0715%0.148CC..EExtended strand (participates in β ladder)trans-132.6138.1-173.5-179.80000111.2G352 V355 Y357 Q375 H409 T410G352-S405 VanDerWaalsContact CA-CB 3.48Å; G352-S405 VanDerWaalsContact CA-OG 3.27Å; G352-S405 WeakPolarHBondContact CA-OG 3.3Å; V355-S405 WeakPolarHBondContact CG2-OG 3.36Å; Y357-S405 VanDerWaalsContact CE2-CB 3.44Å; Q375-S405 PolarHBondContact NE2-OG 3.42Å; S405-H409 PolarHBondContact OG-O 3.28Å; S405-T410 PolarHBondContact OG-OG1 3.34Å
406G97.6Very high97.9Very high6 Ų631.9 Ų31.96%0.06217%0.165CC..  trans-96.9-151.4176.400000113G79 A353 Q375 H409G79-G406 WeakPolarHBondContact O-CA 3.28Å; A353-G406 PolarHBondContact N-O 2.86Å; Q375-G406 PolarHBondContact NE2-O 3.29Å; G406-H409 PolarHBondContact N-O 2.86Å
407G96.8Very high97.7Very high21 Ų2131.3 Ų31.322%0.21616%0.161CC..SBendtrans-66.4-48.1176.100000112.9G80 N373 Q375G80-G407 PolarHBondContact O-N 3.12Å; N373-G407 PolarHBondContact ND2-O 2.84Å; Q375-G407 PolarHBondContact OE1-O 2.93Å
408Q98.3Very high96.9Very high60 Ų6032.9 Ų32.928%0.2816%0.164SC..SBendtrans-134.93.1-172.8-56.2177.9-33.900114.3Q46 M81 N373 Q375Q46-Q408 HydrophobicContact CB-CB 3.88Å; Q46-Q408 HydrophobicContact CG-CB 4.19Å; Q46-Q408 PolarHBondContact N-O 3.12Å; M81-Q408 HydrophobicContact SD-CG 4.44Å; N373-Q408 HydrophobicContact CB-CB 4.32Å; Q375-Q408 VanDerWaalsContact CD-C 3.43Å; Q375-Q408 WeakPolarHBondContact CG-O 3.46Å
409H98.8Very high95Very high0 Ų040.6 Ų40.60%020%0.201CC..EExtended strand (participates in β ladder)trans-138.4163.2-178.375.2-67.7000111L44 Q46 Q51 L52 A78 G79 T83 Q375 S405 G406L44-H409 CarbonylContact O-C 3.1Å; L44-H409 WeakPolarHBondContact O-CA 3.2Å; Q46-H409 WeakPolarHBondContact O-CB 3.45Å; Q51-H409 HydrophobicContact CG-CB 3.85Å; Q51-H409 PolarHBondContact O-CD2 3.3Å; L52-H409 HydrophobicContact CD2-CB 4.13Å; A78-H409 WeakPolarHBondContact CB-NE2 3.28Å; G79-H409 PolarHBondContact O-CE1 2.96Å; T83-H409 PolarHBondContact OG1-CD2 3.32Å; T83-H409 PolarHBondContact OG1-NE2 3.2Å; Q375-H409 PolarHBondContact NE2-O 2.86Å; Q375-H409 VanDerWaalsContact NE2-O 3.13Å; S405-H409 PolarHBondContact OG-O 3.28Å; G406-H409 PolarHBondContact N-O 2.86Å
410T98.9Very high92.4Very high0 Ų047.8 Ų47.80%026%0.256CS..EExtended strand (participates in β ladder)trans-136.8138.3179.5-58.10000109.5V43 L44 Y357 S405 L412V43-T410 CarbonylContact C-O 3.55Å; V43-T410 WeakPolarHBondContact CA-O 3.34Å; L44-T410 HydrophobicContact CD2-CG2 4.12Å; L44-T410 PolarHBondContact N-O 2.8Å; L44-T410 PolarHBondContact O-N 2.92Å; Y357-T410 HydrophobicContact CE1-CG2 3.97Å; Y357-T410 HydrophobicContact CE2-CG2 4.11Å; Y357-T410 PolarHBondContact OH-OG1 2.97Å; S405-T410 PolarHBondContact OG-OG1 3.34Å; T410-L412 HydrophobicContact CG2-CD2 4.25Å
411A98.9Very high92.1Very high0 Ų050 Ų500%027%0.268CS..EExtended strand (participates in β ladder)trans-118.5138.4174.900000110.5L42 V43 V76 T83 S404L42-A411 CarbonylContact O-C 3.54Å; L42-A411 VanDerWaalsContact O-CA 3.29Å; L42-A411 WeakPolarHBondContact O-CA 3.35Å; V43-A411 HydrophobicContact CG1-CB 4.45Å; V76-A411 HydrophobicContact CG1-CB 4.29Å; V76-A411 HydrophobicContact CG2-CB 3.54Å; T83-A411 HydrophobicContact CG2-CB 4.33Å; S404-A411 PolarHBondContact N-O 2.84Å; S404-A411 PolarHBondContact O-N 3.41Å; S404-A411 VanDerWaalsContact O-O 3.12Å
412L98.9Very high91.7Very high0 Ų051.4 Ų51.40%028%0.276CS..EExtended strand (participates in β ladder)trans-120.2141.6177.6-53.4176.4000109.3V41 L42 L44 P64 M390 L395 Q402 A403 T410 V414V41-L412 CarbonylContact C-O 3.51Å; V41-L412 WeakPolarHBondContact CA-O 3.18Å; L42-L412 HydrophobicContact CB-CB 4.23Å; L42-L412 PolarHBondContact N-O 3.05Å; L42-L412 PolarHBondContact O-N 2.92Å; L44-L412 HydrophobicContact CD2-CD1 4.41Å; L44-L412 HydrophobicContact CD2-CG 4.44Å; P64-L412 HydrophobicContact CB-CD1 4.46Å; P64-L412 HydrophobicContact CG-CD1 4.21Å; M390-L412 HydrophobicContact CE-CD1 4.26Å; L395-L412 HydrophobicContact CD2-CD1 4.16Å; Q402-L412 CarbonylContact O-C 3.59Å; Q402-L412 WeakPolarHBondContact O-CA 3.42Å; A403-L412 HydrophobicContact CB-CD2 3.54Å; T410-L412 HydrophobicContact CG2-CD2 4.25Å; L412-V414 HydrophobicContact CB-CG1 4.26Å
413L98.8Very high91.4Very high3 Ų352.2 Ų52.22%0.01628%0.282CS..EExtended strand (participates in β ladder)trans-101.9125.5165.6-173.768.8000108.2Q40 V41 M73 V74 V76 L401 Q402Q40-L413 WeakPolarHBondContact O-CA 3.11Å; V41-L413 HydrophobicContact CG2-CD1 4.26Å; M73-L413 HydrophobicContact CB-CD1 3.84Å; V74-L413 WeakPolarHBondContact O-CD2 3.37Å; V76-L413 HydrophobicContact CG1-CB 3.96Å; L401-L413 HydrophobicContact CB-CB 4.31Å; L401-L413 HydrophobicContact CB-CD2 4.12Å; L401-L413 HydrophobicContact CB-CG 4.18Å; L401-L413 WeakPolarHBondContact CB-O 3.35Å; L401-L413 HydrophobicContact CD1-CD2 4.1Å; L401-L413 HydrophobicContact CD1-CG 4.15Å; L401-L413 PolarHBondContact N-O 2.84Å; Q402-L413 HydrophobicContact CB-CB 3.93Å; Q402-L413 PolarHBondContact N-O 3.21Å; Q402-L413 PolarHBondContact O-N 2.9Å
414V98.6Very high91Very high0 Ų055.2 Ų55.20%030%0.297CS..EExtended strand (participates in β ladder)trans-130.4155-175.5-57.40000111.8G39 Q40 L42 L395 R398 E399 V400 L412G39-V414 CarbonylContact C-O 3.42Å; G39-V414 WeakPolarHBondContact CA-O 3.28Å; Q40-V414 HydrophobicContact CB-CG2 4.33Å; Q40-V414 PolarHBondContact N-O 2.88Å; Q40-V414 PolarHBondContact O-N 3.28Å; L42-V414 HydrophobicContact CD1-CB 4.48Å; L42-V414 HydrophobicContact CD1-CG1 3.7Å; L42-V414 HydrophobicContact CD1-CG2 3.97Å; L42-V414 HydrophobicContact CD2-CG2 4.13Å; L42-V414 HydrophobicContact CG-CG1 4.05Å; L42-V414 HydrophobicContact CG-CG2 3.8Å; L395-V414 HydrophobicContact CD2-CG1 4.07Å; R398-V414 HydrophobicContact CB-CB 4.36Å; E399-V414 CarbonylContact O-C 3.22Å; E399-V414 VanDerWaalsContact O-CA 3.28Å; E399-V414 WeakPolarHBondContact O-CA 3.12Å; V400-V414 HydrophobicContact CG2-CG1 4.1Å; L412-V414 HydrophobicContact CB-CG1 4.26Å
415K97.1Very high90.5Very high63 Ų6357.6 Ų57.627%0.27431%0.309SS..EExtended strand (participates in β ladder)trans-134.2144.5174.9170173.3155.9-120.90109.7R398 E399 L401R398-K415 CarbonylContact C-O 3.5Å; R398-K415 WeakPolarHBondContact CA-O 3.31Å; R398-K415 WeakPolarHBondContact CB-O 3.25Å; E399-K415 HydrophobicContact CG-CB 4Å; E399-K415 HydrophobicContact CG-CG 4.47Å; E399-K415 PolarHBondContact N-O 3.13Å; E399-K415 PolarHBondContact O-N 3.39Å; E399-K415 WeakPolarHBondContact OE1-CD 3.28Å; E399-K415 WeakPolarHBondContact OE1-CE 3.46Å; E399-K415 IonicContact OE1-NZ 2.77Å; E399-K415 PolarHBondContact OE1-NZ 2.81Å; L401-K415 HydrophobicContact CD1-CB 3.94Å; L401-K415 HydrophobicContact CD2-CB 4.24Å; L401-K415 HydrophobicContact CG-CB 4.18Å
416D95.8Very high89.9Confident88 Ų8860.8 Ų60.847%0.47133%0.325SS..EExtended strand (participates in β ladder)trans-66.4135.5175.4-59.9-40.2000109.9R398 Q418R398-D416 WeakPolarHBondContact CD-OD1 3.29Å; R398-D416 WeakPolarHBondContact CG-OD1 3.41Å; R398-D416 IonicContact CZ-OD1 2.94Å; R398-D416 IonicContact NE-OD1 3.03Å; R398-D416 PolarHBondContact NE-OD1 2.95Å; R398-D416 IonicContact NH2-OD1 3.41Å; D416-Q418 PolarHBondContact O-N 3.49Å
417K91.5Very high89.4Confident110 Ų11064.7 Ų64.748%0.47834%0.343SS..PPolyproline II helixtrans-66.8127.9171-69.2-177.5175.4-177.80107.6N397 R398 E399 E419N397-K417 WeakPolarHBondContact O-CB 3.36Å; N397-K417 PolarHBondContact O-N 3.04Å; R398-K417 WeakPolarHBondContact O-CE 3.49Å; E399-K417 HydrophobicContact CB-CG 4.48Å; K417-E419 PolarHBondContact O-N 3.04Å
418Q78.8Confident88.8Confident169 Ų16968.1 Ų68.179%0.7935%0.353SS*.PPolyproline II helixtrans-64128.8170.7-69.9-175.7-12.300107.7D416 S420D416-Q418 PolarHBondContact O-N 3.49Å; Q418-S420 PolarHBondContact O-N 2.66Å
419E57.1Low88Confident198 Ų19868.8 Ų68.893%0.92536%0.359SS*.PPolyproline II helixtrans-61.2119.2170.4-69.8-177.3162.700107.9K417K417-E419 PolarHBondContact O-N 3.04Å
420S42.9Very low87Confident194 Ų19475 Ų75100%1.35739%0.392SS*.  trans-70.40178.8-55.50000113Q418Q418-S420 PolarHBondContact O-N 2.66Å

Retrieved 420 of 420 residues in 226.5 ms (Link to these results)