A0A087X701_POEFO Loading...

Pellino E3 ubiquitin protein ligase 1

AlphaFold DB (A0A3B3VWR2), UniProt , Accession A0A087X701, Species POEFO (Poecilia formosa, Amazon molly), Gene PELI1, Length 426 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
1M39.8Very low33.3Very low239 Ų239162.1 Ų162.1100%1.17784%0.843SS**  095.90-78.2-178.3-139.200107.9
2Y26Very low33.6Very low235 Ų235158.8 Ų158.892%0.92284%0.835SS**  trans-142.8121.9170.6-97.5-87.7000106
3S34.6Very low34Very low119 Ų119154.2 Ų154.283%0.83283%0.825SS**  trans-85.4134179.3-164.30000108.9
4P33.8Very low34.7Very low114 Ų114149.6 Ų149.674%0.7481%0.811SS**  trans-105.7116164.223.8-7000111.1
5E32.6Very low35.5Very low183 Ų183148.9 Ų148.986%0.85581%0.813SS**  trans32.6117.2137.3-63178.4159.600119.7E7E5-E7 PolarHBondContact O-N 3.46Å; E5-E7 VanDerWaalsContact O-N 3.16Å
6Q34.9Very low37.8Very low198 Ų198150.6 Ų150.693%0.92581%0.81SS**  trans-64.1102.7161.1-77.7172.1-23.400110N8Q6-N8 PolarHBondContact O-N 2.94Å
7E31.6Very low40.3Very low179 Ų179149.2 Ų149.284%0.83681%0.808SS**  trans-72.8108.9159.2-86.8-170.5153.600109.6E5 I9E5-E7 PolarHBondContact O-N 3.46Å; E5-E7 VanDerWaalsContact O-N 3.16Å; E7-I9 PolarHBondContact O-N 3.3Å
8N31.4Very low43.1Very low150 Ų150145.7 Ų145.780%0.80279%0.794SS**  trans-70.688.1173.8-146.7-2.9000108.4Q6 S10Q6-N8 PolarHBondContact O-N 2.94Å; N8-S10 PolarHBondContact O-N 3.47Å
9I35.7Very low46Very low141 Ų141140.7 Ų140.772%0.72377%0.768SS**  trans-69.489.1171.6-59176.3000107.8E7 T11E7-I9 PolarHBondContact O-N 3.3Å; I9-T11 HydrophobicContact CG2-CG2 4.32Å; I9-T11 PolarHBondContact O-N 2.82Å
10S33.3Very low48.6Very low92 Ų92136.5 Ų136.564%0.64374%0.742SS**  trans-6099.3159.1-68.70000108N8 T12N8-S10 PolarHBondContact O-N 3.47Å; S10-T12 VanDerWaalsContact C-N 3.31Å; S10-T12 PolarHBondContact O-N 3.28Å
11T32.8Very low50.9Low133 Ų133130.5 Ų130.582%0.81671%0.709SS**  trans-66.593.717148.60000109.4I9I9-T11 HydrophobicContact CG2-CG2 4.32Å; I9-T11 PolarHBondContact O-N 2.82Å
12T36.7Very low53.7Low122 Ų122119.1 Ų119.175%0.74865%0.653SS**  trans-57125171.231.50000111.7S10S10-T12 VanDerWaalsContact C-N 3.31Å; S10-T12 PolarHBondContact O-N 3.28Å
13S39.3Very low57.2Low100 Ų100108.6 Ų108.670%0.69961%0.612SS**  trans31.6100.315061.60000118.1T15S13-T15 PolarHBondContact O-N 2.92Å
14S44Very low60.2Low90 Ų90102.9 Ų102.963%0.62957%0.572SS**  trans-56.8111.7160.5670000109.8K16S14-K16 PolarHBondContact O-N 3.14Å
15T45.3Very low63.3Low138 Ų13897.5 Ų97.585%0.84754%0.537SS*.  trans-67.376.8166.636.30000108.9S13 V17S13-T15 PolarHBondContact O-N 2.92Å; T15-V17 PolarHBondContact O-N 3.27Å
16K72.6Confident66.4Low176 Ų17689 Ų8977%0.76550%0.498SS*.PPolyproline II helixtrans-63119.4178.3-71.5-175.2179.6179.60108.7S14S14-K16 PolarHBondContact O-N 3.14Å
17V81Confident69.4Low128 Ų12879.8 Ų79.878%0.77646%0.455SS*.PPolyproline II helixtrans-51.2127.2170.6177.70000108.3T15 V19T15-V17 PolarHBondContact O-N 3.27Å; V17-V19 PolarHBondContact O-N 3.16Å
18P91.2Very high72.4Confident86 Ų8671.6 Ų71.656%0.55842%0.419SS*.PPolyproline II helixtrans-62.9129.9-178.322-30.2000110.4K20 Y48P18-K20 PolarHBondContact O-N 3.23Å; P18-Y48 HydrophobicContact CB-CD1 4.19Å; P18-Y48 HydrophobicContact CG-CD1 4.42Å
19V96.8Very high75.3Confident50 Ų5065.2 Ų65.230%0.30338%0.383SS..PPolyproline II helixtrans-64.5119.4-179.4177.30000109.3V17 Y48 K49 Y153V17-V19 PolarHBondContact O-N 3.16Å; V19-Y48 CarbonylContact O-C 3Å; V19-Y48 VanDerWaalsContact O-CA 3.31Å; V19-Y48 WeakPolarHBondContact O-CA 3.26Å; V19-K49 HydrophobicContact CB-CB 3.9Å; V19-K49 HydrophobicContact CB-CD 4.44Å; V19-K49 PolarHBondContact O-N 3.35Å; V19-Y153 HydrophobicContact CG1-CD1 4.36Å; V19-Y153 HydrophobicContact CG1-CD2 4.43Å; V19-Y153 HydrophobicContact CG1-CE1 4.03Å; V19-Y153 HydrophobicContact CG1-CE2 4.11Å
20K97.8Very high78Confident57 Ų5760.2 Ų60.225%0.24836%0.358CS..EExtended strand (participates in β ladder)trans-90124.5174-170.6174.9179177.10109.4P18 G22 E23 Y48 A260P18-K20 PolarHBondContact O-N 3.23Å; K20-G22 WeakPolarHBondContact CE-O 3.24Å; K20-E23 IonicContact NZ-OE2 2.74Å; K20-E23 PolarHBondContact NZ-OE2 3.1Å; K20-Y48 HydrophobicContact CB-CD1 3.79Å; K20-Y48 HydrophobicContact CB-CE1 3.61Å; K20-Y48 HydrophobicContact CD-CE1 4.09Å; K20-Y48 HydrophobicContact CG-CD1 4.16Å; K20-Y48 HydrophobicContact CG-CE1 3.81Å; K20-A260 HydrophobicContact CB-CB 4.44Å; K20-A260 WeakPolarHBondContact O-CB 3.25Å
21Y98.4Very high80.7Confident11 Ų1157.1 Ų57.14%0.04334%0.341CS..EExtended strand (participates in β ladder)trans-76.8-44.1172.4-60.6-48.5000111L47 K49 D102 F104 C147 Q148 R149 Y153 A260Y21-L47 HydrophobicContact CD2-CB 4.34Å; Y21-L47 PolarHBondContact N-O 2.74Å; Y21-K49 HydrophobicContact CE1-CB 4.15Å; Y21-K49 VanDerWaalsContact CE2-CA 3.41Å; Y21-K49 HydrophobicContact CE2-CB 4.12Å; Y21-K49 VanDerWaalsContact CZ-CA 3.46Å; Y21-K49 WeakPolarHBondContact OH-CA 3.5Å; Y21-K49 WeakPolarHBondContact OH-CB 3.48Å; Y21-K49 VanDerWaalsContact OH-CG 3.32Å; Y21-K49 WeakPolarHBondContact OH-CG 3.23Å; Y21-D102 HydrophobicContact CE2-CB 3.99Å; Y21-D102 WeakPolarHBondContact CE2-OD2 3.39Å; Y21-D102 PolarHBondContact OH-OD2 3.48Å; Y21-F104 AromaticContact CD2-CE2 3.93Å; Y21-F104 HydrophobicContact CD2-CE2 3.93Å; Y21-F104 HydrophobicContact CD2-CZ 4.17Å; Y21-F104 HydrophobicContact CE2-CE2 4.02Å; Y21-F104 HydrophobicContact CE2-CZ 4.18Å; Y21-C147 HydrophobicContact CD1-CB 3.95Å; Y21-C147 HydrophobicContact CD2-CB 3.43Å; Y21-C147 VanDerWaalsContact CD2-CB 3.43Å; Y21-C147 HydrophobicContact CE1-CB 4.08Å; Y21-C147 HydrophobicContact CE2-CB 3.56Å; Y21-C147 HydrophobicContact CG-CB 3.62Å; Y21-Q148 VanDerWaalsContact CE1-O 3.27Å; Y21-Q148 WeakPolarHBondContact CE1-O 3.3Å; Y21-R149 WeakPolarHBondContact OH-CG 3.45Å; Y21-Y153 HydrophobicContact CD1-CD1 4.32Å; Y21-Y153 HydrophobicContact CD1-CG 4.29Å; Y21-Y153 AromaticContact CE1-CD1 3.84Å; Y21-Y153 HydrophobicContact CE1-CD1 3.84Å; Y21-Y153 HydrophobicContact CE1-CG 4.26Å; Y21-A260 PolarHBondContact O-N 3.43Å
22G98.2Very high83.5Confident0 Ų052.9 Ų52.90%032%0.316CS..EExtended strand (participates in β ladder)trans169.4-159.4-178.900000111.6K20 L47 W257 R258K20-G22 WeakPolarHBondContact CE-O 3.24Å; G22-L47 PolarHBondContact O-N 3.36Å; G22-W257 VanDerWaalsContact CA-CH2 3.48Å; G22-R258 CarbonylContact C-O 3.56Å; G22-R258 WeakPolarHBondContact CA-O 3.46Å
23E98.3Very high86Confident13 Ų1347.4 Ų47.46%0.06128%0.283CS..EExtended strand (participates in β ladder)trans-147.3137.8-176.4-163.1162.5167.800111.5K20 I25 R44 F45 A46 R258 L263K20-E23 IonicContact NZ-OE2 2.74Å; K20-E23 PolarHBondContact NZ-OE2 3.1Å; E23-I25 HydrophobicContact CG-CG1 4.29Å; E23-R44 WeakPolarHBondContact OE1-CB 3.31Å; E23-R44 IonicContact OE1-CZ 3.87Å; E23-R44 IonicContact OE1-NE 2.82Å; E23-R44 PolarHBondContact OE1-NE 2.87Å; E23-R44 IonicContact OE1-NH2 3.75Å; E23-R44 PolarHBondContact OE1-NH2 3.46Å; E23-R44 IonicContact OE2-NH2 3.89Å; E23-R44 PolarHBondContact OE2-NH2 3.38Å; E23-F45 WeakPolarHBondContact CA-O 3.49Å; E23-A46 HydrophobicContact CG-CB 4.34Å; E23-R258 PolarHBondContact N-O 3Å; E23-R258 PolarHBondContact O-N 3.41Å; E23-L263 HydrophobicContact CB-CD1 3.67Å
24L98.8Very high88.1Confident0 Ų045.7 Ų45.70%027%0.269CS..EExtended strand (participates in β ladder)trans-95.8134.4166.7-66.2171.6000109.4R44 F45 L47 I106 F116 I145 I248 L255 L256 W257L24-R44 CarbonylContact O-C 3.56Å; L24-R44 WeakPolarHBondContact O-CA 3.42Å; L24-F45 HydrophobicContact CD1-CD1 4.41Å; L24-F45 PolarHBondContact N-O 2.48Å; L24-F45 PolarHBondContact O-N 2.83Å; L24-L47 HydrophobicContact CD1-CD1 4.3Å; L24-L47 HydrophobicContact CG-CD1 4.18Å; L24-I106 HydrophobicContact CD1-CD1 3.98Å; L24-I106 HydrophobicContact CD1-CG1 3.78Å; L24-F116 HydrophobicContact CB-CD1 4.27Å; L24-F116 HydrophobicContact CB-CE1 4.02Å; L24-F116 HydrophobicContact CD1-CD1 3.93Å; L24-F116 HydrophobicContact CD1-CE1 4.45Å; L24-I145 HydrophobicContact CD1-CD1 3.82Å; L24-I145 HydrophobicContact CD2-CD1 3.77Å; L24-I145 HydrophobicContact CG-CD1 4.14Å; L24-I248 HydrophobicContact CD2-CD1 3.92Å; L24-L255 HydrophobicContact CD1-CD1 4.33Å; L24-L255 HydrophobicContact CD2-CB 4.48Å; L24-L255 HydrophobicContact CD2-CD1 4.46Å; L24-L256 CarbonylContact C-O 3.54Å; L24-L256 WeakPolarHBondContact CA-O 3.49Å; L24-W257 HydrophobicContact CD2-CB 4.36Å; L24-W257 HydrophobicContact CD2-CE3 3.93Å; L24-W257 HydrophobicContact CG-CE3 4.3Å
25I98.4Very high90Very high1 Ų146.7 Ų46.71%0.00527%0.268CS..EExtended strand (participates in β ladder)trans-127.3126.2-179.7-52.7177.5000108.3E23 R44 L255 L256 R258 E358 F361E23-I25 HydrophobicContact CG-CG1 4.29Å; I25-R44 HydrophobicContact CG1-CG 4.37Å; I25-R44 HydrophobicContact CG2-CG 4.21Å; I25-L255 CarbonylContact O-C 3.58Å; I25-L255 WeakPolarHBondContact O-CA 3.32Å; I25-L256 HydrophobicContact CB-CB 4.38Å; I25-L256 PolarHBondContact N-O 2.98Å; I25-L256 PolarHBondContact O-N 2.87Å; I25-R258 HydrophobicContact CD1-CG 4.02Å; I25-E358 HydrophobicContact CG2-CG 3.73Å; I25-F361 HydrophobicContact CB-CE1 4.18Å; I25-F361 HydrophobicContact CG2-CD1 4.46Å; I25-F361 HydrophobicContact CG2-CE1 3.5Å; I25-F361 VanDerWaalsContact CG2-CE1 3.5Å; I25-F361 HydrophobicContact CG2-CZ 3.62Å
26V97.8Very high91.8Very high4 Ų441.4 Ų41.42%0.02424%0.241CC..EExtended strand (participates in β ladder)trans-80125179.2-168.70000109.3Y29 S43 F116 L255V26-Y29 HydrophobicContact CB-CD2 4.04Å; V26-Y29 HydrophobicContact CB-CE2 4.46Å; V26-Y29 HydrophobicContact CG1-CD2 3.6Å; V26-Y29 HydrophobicContact CG1-CE2 3.61Å; V26-S43 WeakPolarHBondContact CG2-O 3.45Å; V26-S43 PolarHBondContact N-O 2.91Å; V26-F116 HydrophobicContact CG2-CE1 4.04Å; V26-F116 HydrophobicContact CG2-CZ 3.58Å; V26-L255 HydrophobicContact CB-CD2 4.14Å; V26-L255 HydrophobicContact CG1-CD2 4.16Å; V26-L255 HydrophobicContact CG2-CD2 3.72Å
27L97.4Very high92.6Very high5 Ų536 Ų363%0.02622%0.22CC..THydrogen-bonded Turntrans-68.5147.6172.9-82.264.2000110.5L247 T254 L256 F361 W387 L392L27-L247 HydrophobicContact CD1-CD2 4.46Å; L27-T254 HydrophobicContact CD2-CG2 4.19Å; L27-T254 PolarHBondContact N-O 2.82Å; L27-L256 HydrophobicContact CD1-CB 3.83Å; L27-F361 HydrophobicContact CD1-CE1 3.9Å; L27-F361 HydrophobicContact CD1-CZ 4.28Å; L27-F361 HydrophobicContact CG-CE1 4.22Å; L27-F361 HydrophobicContact CG-CZ 4.25Å; L27-W387 HydrophobicContact CD1-CH2 4.44Å; L27-W387 HydrophobicContact CD2-CH2 3.94Å; L27-W387 HydrophobicContact CD2-CZ3 3.68Å; L27-W387 HydrophobicContact CG-CH2 4.33Å; L27-L392 HydrophobicContact CD2-CD1 4.25Å; L27-L392 HydrophobicContact CD2-CD2 4.28Å
28G95.2Very high92.9Very high7 Ų739 Ų397%0.07222%0.217CC..THydrogen-bonded Turntrans95.15.9169.400000116.5P404 F405 C406G28-P404 PolarHBondContact N-O 2.84Å; G28-F405 CarbonylContact C-O 3.57Å; G28-F405 WeakPolarHBondContact CA-O 3.2Å; G28-C406 WeakPolarHBondContact O-CA 3.43Å
29Y92.8Very high92.9Very high16 Ų1637.7 Ų37.76%0.06322%0.22CC..SBendtrans-1233.5-177.8-63.8-60.5000115.1V26 G31 S32 L33 P34 D120 T121 F405V26-Y29 HydrophobicContact CB-CD2 4.04Å; V26-Y29 HydrophobicContact CB-CE2 4.46Å; V26-Y29 HydrophobicContact CG1-CD2 3.6Å; V26-Y29 HydrophobicContact CG1-CE2 3.61Å; Y29-G31 PolarHBondContact O-N 3.23Å; Y29-S32 CarbonylContact O-C 3.55Å; Y29-S32 PolarHBondContact O-N 3.03Å; Y29-L33 HydrophobicContact CD1-CD2 4.19Å; Y29-L33 HydrophobicContact CD2-CD2 3.43Å; Y29-L33 VanDerWaalsContact CD2-CD2 3.43Å; Y29-L33 HydrophobicContact CE1-CD2 4.31Å; Y29-L33 HydrophobicContact CE2-CD2 3.58Å; Y29-L33 HydrophobicContact CG-CD2 3.72Å; Y29-P34 HydrophobicContact CD1-CG 4.03Å; Y29-P34 VanDerWaalsContact CE1-CD 3.49Å; Y29-P34 HydrophobicContact CE1-CG 3.79Å; Y29-D120 PolarHBondContact OH-O 3.17Å; Y29-D120 VanDerWaalsContact OH-O 3.1Å; Y29-T121 HydrophobicContact CE2-CG2 4.46Å; Y29-T121 WeakPolarHBondContact OH-CA 3.45Å; Y29-F405 CarbonylContact C-O 3.1Å; Y29-F405 PolarHBondContact N-O 3.27Å; Y29-F405 VanDerWaalsContact N-O 3.09Å
30N93.1Very high92.7Very high35 Ų3539.7 Ų39.719%0.18722%0.222CC..THydrogen-bonded Turntrans46.540177.5-15817.8000114.3L355 C357 E358 F405N30-L355 PolarHBondContact ND2-O 2.9Å; N30-L355 VanDerWaalsContact ND2-O 3.17Å; N30-C357 PolarHBondContact OD1-N 2.82Å; N30-E358 PolarHBondContact OD1-N 2.92Å; N30-F405 HydrophobicContact CB-CB 4.06Å; N30-F405 WeakPolarHBondContact CB-O 3.47Å; N30-F405 PolarHBondContact N-O 3.06Å; N30-F405 WeakPolarHBondContact OD1-CD1 3.44Å
31G89.9Confident92.5Very high28 Ų2841.6 Ų41.629%0.28923%0.228SC..THydrogen-bonded Turntrans86.93.7177.700000116Y29 S43 E358Y29-G31 PolarHBondContact O-N 3.23Å; G31-S43 VanDerWaalsContact C-OG 3.32Å; G31-S43 PolarHBondContact O-OG 3.41Å; G31-S43 VanDerWaalsContact O-OG 3.09Å; G31-E358 WeakPolarHBondContact CA-OE2 3.34Å
32S89.9Confident92.3Very high43 Ų4345 Ų4530%0.30124%0.243SC..SBendtrans-157.2130.8173.2-175.20000113.4Y29 R300Y29-S32 CarbonylContact O-C 3.55Å; Y29-S32 PolarHBondContact O-N 3.03Å; S32-R300 PolarHBondContact O-NH1 3.04Å
33L89.8Confident92.1Very high8 Ų845.1 Ų45.14%0.04224%0.244CC..  trans-62.2154175.7-63.8178.7000112.1Y29 N35 G36 D37 R41Y29-L33 HydrophobicContact CD1-CD2 4.19Å; Y29-L33 HydrophobicContact CD2-CD2 3.43Å; Y29-L33 VanDerWaalsContact CD2-CD2 3.43Å; Y29-L33 HydrophobicContact CE1-CD2 4.31Å; Y29-L33 HydrophobicContact CE2-CD2 3.58Å; Y29-L33 HydrophobicContact CG-CD2 3.72Å; L33-N35 VanDerWaalsContact C-N 3.27Å; L33-N35 PolarHBondContact O-N 2.83Å; L33-G36 WeakPolarHBondContact O-CA 3.16Å; L33-G36 PolarHBondContact O-N 3.47Å; L33-D37 WeakPolarHBondContact CG-OD1 3.45Å; L33-D37 PolarHBondContact N-OD1 2.7Å; L33-R41 HydrophobicContact CD1-CG 3.66Å
34P84.1Confident92Very high64 Ų6447.9 Ų47.942%0.41625%0.253SS..THydrogen-bonded Turntrans-54.7-37.8-179.6-26.935.7000114.8Y29 G36 R300Y29-P34 HydrophobicContact CD1-CG 4.03Å; Y29-P34 VanDerWaalsContact CE1-CD 3.49Å; Y29-P34 HydrophobicContact CE1-CG 3.79Å; P34-G36 VanDerWaalsContact C-N 3.32Å; P34-R300 VanDerWaalsContact CA-NH1 3.33Å
35N82.5Confident92Very high111 Ų11149.5 Ų49.559%0.59426%0.261SS*.THydrogen-bonded Turntrans-97.115.1179.3-61.2-24.7000112.8L33 R38L33-N35 VanDerWaalsContact C-N 3.27Å; L33-N35 PolarHBondContact O-N 2.83Å; N35-R38 PolarHBondContact O-NE 2.8Å
36G84.8Confident92Very high27 Ų2750.8 Ų50.828%0.27827%0.271SS..  trans73.1163.3-171.500000113.7L33 P34L33-G36 WeakPolarHBondContact O-CA 3.16Å; L33-G36 PolarHBondContact O-N 3.47Å; P34-G36 VanDerWaalsContact C-N 3.32Å
37D87.5Confident92Very high63 Ų6350.6 Ų50.634%0.33727%0.27SS..  trans-78.3120.4177-78.78.4000110.1L33 K42 S43L33-D37 WeakPolarHBondContact CG-OD1 3.45Å; L33-D37 PolarHBondContact N-OD1 2.7Å; D37-K42 HydrophobicContact CB-CB 4.2Å; D37-K42 HydrophobicContact CB-CG 4.01Å; D37-K42 WeakPolarHBondContact OD1-CA 3.4Å; D37-S43 VanDerWaalsContact CG-N 3.28Å; D37-S43 PolarHBondContact OD1-N 3.21Å; D37-S43 PolarHBondContact OD2-N 2.94Å; D37-S43 PolarHBondContact OD2-OG 2.78Å
38R87.8Confident92Very high189 Ų18955.2 Ų55.271%0.71329%0.288SS*.BIsolated β-bridgetrans-135.5122.5-176.4-61.8-173.7-170.1-165.9-1111.7N35 R40 R41N35-R38 PolarHBondContact O-NE 2.8Å; R38-R40 PolarHBondContact O-N 2.66Å; R38-R40 VanDerWaalsContact O-N 3.12Å; R38-R41 PolarHBondContact N-O 3.29Å; R38-R41 PolarHBondContact O-N 2.77Å; R38-R41 VanDerWaalsContact O-O 3.1Å
39G91.1Very high92.2Very high60 Ų6058.3 Ų58.362%0.61930%0.299SS*.THydrogen-bonded Turntrans58.8-114.8175.700000112.5K42G39-K42 WeakPolarHBondContact O-CE 3.27Å; G39-K42 PolarHBondContact O-NZ 2.92Å
40R93.3Very high92.4Very high92 Ų9260.4 Ų60.435%0.34731%0.307SS..THydrogen-bonded Turntrans-92.9-8.9176.3-69.2179.3-76.3146.2-1.2114R38 T110 E111 I114 D115 F116 V117R38-R40 PolarHBondContact O-N 2.66Å; R38-R40 VanDerWaalsContact O-N 3.12Å; R40-T110 PolarHBondContact NH2-O 2.82Å; R40-E111 PolarHBondContact NH1-O 2.81Å; R40-I114 WeakPolarHBondContact CD-O 3.45Å; R40-I114 PolarHBondContact NH1-O 3.22Å; R40-D115 WeakPolarHBondContact CG-O 3.35Å; R40-F116 WeakPolarHBondContact O-CD2 3.29Å; R40-V117 HydrophobicContact CB-CB 4.5Å; R40-V117 HydrophobicContact CB-CG2 3.8Å; R40-V117 PolarHBondContact O-N 3.27Å
41R93.4Very high92.6Very high97 Ų9765.1 Ų65.137%0.36634%0.339SS..BIsolated β-bridgetrans-93.9100.4176.4-175.1-177.4-176.1-175.93108.3L33 R38 V117 T119L33-R41 HydrophobicContact CD1-CG 3.66Å; R38-R41 PolarHBondContact N-O 3.29Å; R38-R41 PolarHBondContact O-N 2.77Å; R38-R41 VanDerWaalsContact O-O 3.1Å; R41-V117 HydrophobicContact CB-CB 4.32Å; R41-T119 PolarHBondContact NH2-OG1 3.17Å; R41-T119 VanDerWaalsContact NH2-OG1 3.14Å
42K94.6Very high93Very high83 Ų8372.3 Ų72.336%0.36136%0.363SS..  trans-139.6160.6-173.3-62-179.9162.9148.20110.4D37 G39 R44 F116D37-K42 HydrophobicContact CB-CB 4.2Å; D37-K42 HydrophobicContact CB-CG 4.01Å; D37-K42 WeakPolarHBondContact OD1-CA 3.4Å; G39-K42 WeakPolarHBondContact O-CE 3.27Å; G39-K42 PolarHBondContact O-NZ 2.92Å; K42-R44 VanDerWaalsContact CB-O 3.26Å; K42-R44 WeakPolarHBondContact CB-O 3.46Å; K42-F116 HydrophobicContact CB-CE2 4.2Å; K42-F116 WeakPolarHBondContact O-CE2 3.23Å; K42-F116 WeakPolarHBondContact O-CZ 3.38Å
43S94.5Very high93.4Very high2 Ų271.4 Ų71.41%0.01436%0.357CS..SBendtrans-73.8-20.4169.861.50000112.1V26 G31 D37V26-S43 WeakPolarHBondContact CG2-O 3.45Å; V26-S43 PolarHBondContact N-O 2.91Å; G31-S43 VanDerWaalsContact C-OG 3.32Å; G31-S43 PolarHBondContact O-OG 3.41Å; G31-S43 VanDerWaalsContact O-OG 3.09Å; D37-S43 VanDerWaalsContact CG-N 3.28Å; D37-S43 PolarHBondContact OD1-N 3.21Å; D37-S43 PolarHBondContact OD2-N 2.94Å; D37-S43 PolarHBondContact OD2-OG 2.78Å
44R96.1Very high93.8Very high70 Ų7073.3 Ų73.326%0.26437%0.368SS..EExtended strand (participates in β ladder)trans-140.2143.8-176.2-61.216966.6138.9-1.5111.8E23 L24 I25 K42 E358E23-R44 WeakPolarHBondContact OE1-CB 3.31Å; E23-R44 IonicContact OE1-CZ 3.87Å; E23-R44 IonicContact OE1-NE 2.82Å; E23-R44 PolarHBondContact OE1-NE 2.87Å; E23-R44 IonicContact OE1-NH2 3.75Å; E23-R44 PolarHBondContact OE1-NH2 3.46Å; E23-R44 IonicContact OE2-NH2 3.89Å; E23-R44 PolarHBondContact OE2-NH2 3.38Å; L24-R44 CarbonylContact O-C 3.56Å; L24-R44 WeakPolarHBondContact O-CA 3.42Å; I25-R44 HydrophobicContact CG1-CG 4.37Å; I25-R44 HydrophobicContact CG2-CG 4.21Å; K42-R44 VanDerWaalsContact CB-O 3.26Å; K42-R44 WeakPolarHBondContact CB-O 3.46Å; R44-E358 VanDerWaalsContact CD-OE2 3.29Å; R44-E358 WeakPolarHBondContact CD-OE2 3.15Å; R44-E358 IonicContact CZ-OE1 3.46Å; R44-E358 IonicContact CZ-OE2 2.69Å; R44-E358 IonicContact NE-OE2 2.67Å; R44-E358 IonicContact NH1-OE1 3.17Å; R44-E358 PolarHBondContact NH1-OE1 2.68Å; R44-E358 IonicContact NH1-OE2 3.26Å; R44-E358 PolarHBondContact NH1-OE2 2.91Å; R44-E358 VanDerWaalsContact NH1-OE2 3.14Å
45F97.9Very high94.5Very high35 Ų3570.3 Ų70.315%0.15435%0.348CS..EExtended strand (participates in β ladder)trans-140.6110.1178.2-178.6-110.7000111.5E23 L24 L47 F104 D115 F116E23-F45 WeakPolarHBondContact CA-O 3.49Å; L24-F45 HydrophobicContact CD1-CD1 4.41Å; L24-F45 PolarHBondContact N-O 2.48Å; L24-F45 PolarHBondContact O-N 2.83Å; F45-L47 HydrophobicContact CD1-CD1 3.41Å; F45-L47 VanDerWaalsContact CD1-CD1 3.41Å; F45-L47 HydrophobicContact CD1-CG 4.23Å; F45-L47 HydrophobicContact CE1-CD1 3.61Å; F45-L47 HydrophobicContact CE1-CG 3.91Å; F45-L47 HydrophobicContact CG-CD1 4.45Å; F45-L47 WeakPolarHBondContact O-CD1 3.48Å; F45-F104 HydrophobicContact CE1-CD1 4.09Å; F45-F104 HydrophobicContact CZ-CD1 4.19Å; F45-D115 HydrophobicContact CE1-CB 4.1Å; F45-D115 HydrophobicContact CE2-CB 4.46Å; F45-D115 HydrophobicContact CZ-CB 3.68Å; F45-F116 HydrophobicContact CB-CB 4.15Å; F45-F116 HydrophobicContact CB-CD1 3.77Å; F45-F116 HydrophobicContact CB-CD2 3.51Å; F45-F116 HydrophobicContact CB-CE1 3.93Å; F45-F116 HydrophobicContact CB-CE2 3.69Å; F45-F116 HydrophobicContact CB-CG 3.55Å; F45-F116 HydrophobicContact CB-CZ 3.88Å; F45-F116 HydrophobicContact CD1-CB 3.7Å; F45-F116 HydrophobicContact CD1-CD1 4.35Å; F45-F116 HydrophobicContact CD1-CG 4.02Å; F45-F116 HydrophobicContact CD2-CB 4.24Å; F45-F116 HydrophobicContact CD2-CD2 4.26Å; F45-F116 HydrophobicContact CD2-CG 4.39Å; F45-F116 HydrophobicContact CE1-CB 4.16Å; F45-F116 HydrophobicContact CG-CB 3.76Å; F45-F116 HydrophobicContact CG-CD1 4.26Å; F45-F116 AromaticContact CG-CD2 3.91Å; F45-F116 HydrophobicContact CG-CD2 3.91Å; F45-F116 AromaticContact CG-CG 3.74Å; F45-F116 HydrophobicContact CG-CG 3.74Å
46A97.8Very high95.2Very high27 Ų2765.7 Ų65.722%0.22332%0.324CS..EExtended strand (participates in β ladder)trans-85.2129.1177.300000111.1E23 Y48E23-A46 HydrophobicContact CG-CB 4.34Å; A46-Y48 HydrophobicContact CB-CD2 4.16Å; A46-Y48 HydrophobicContact CB-CE2 3.42Å; A46-Y48 VanDerWaalsContact CB-CE2 3.42Å
47L98.6Very high95.8Very high0 Ų069.3 Ų69.30%033%0.332CS..EExtended strand (participates in β ladder)trans-96.3119.3178-74.368.8000108.3Y21 G22 L24 F45 F104 I145 W257Y21-L47 HydrophobicContact CD2-CB 4.34Å; Y21-L47 PolarHBondContact N-O 2.74Å; G22-L47 PolarHBondContact O-N 3.36Å; L24-L47 HydrophobicContact CD1-CD1 4.3Å; L24-L47 HydrophobicContact CG-CD1 4.18Å; F45-L47 HydrophobicContact CD1-CD1 3.41Å; F45-L47 VanDerWaalsContact CD1-CD1 3.41Å; F45-L47 HydrophobicContact CD1-CG 4.23Å; F45-L47 HydrophobicContact CE1-CD1 3.61Å; F45-L47 HydrophobicContact CE1-CG 3.91Å; F45-L47 HydrophobicContact CG-CD1 4.45Å; F45-L47 WeakPolarHBondContact O-CD1 3.48Å; L47-F104 HydrophobicContact CB-CD2 4.39Å; L47-F104 HydrophobicContact CB-CE1 4.34Å; L47-F104 HydrophobicContact CB-CE2 4.17Å; L47-F104 HydrophobicContact CB-CZ 4.15Å; L47-F104 HydrophobicContact CD2-CB 4.01Å; L47-F104 HydrophobicContact CD2-CD1 4.37Å; L47-F104 HydrophobicContact CD2-CD2 3.51Å; L47-F104 HydrophobicContact CD2-CE2 4.06Å; L47-F104 HydrophobicContact CD2-CG 3.69Å; L47-F104 HydrophobicContact CG-CB 4.38Å; L47-F104 HydrophobicContact CG-CD1 4Å; L47-F104 HydrophobicContact CG-CD2 3.96Å; L47-F104 HydrophobicContact CG-CE1 4.27Å; L47-F104 HydrophobicContact CG-CE2 4.24Å; L47-F104 HydrophobicContact CG-CG 3.83Å; L47-F104 HydrophobicContact CG-CZ 4.4Å; L47-I145 HydrophobicContact CD2-CB 4.21Å; L47-I145 HydrophobicContact CD2-CG2 3.79Å; L47-W257 HydrophobicContact CD1-CZ3 4.2Å; L47-W257 HydrophobicContact CD2-CH2 4.42Å; L47-W257 HydrophobicContact CD2-CZ3 4.01Å
48Y98.5Very high96.1Very high102 Ų10269.5 Ų69.540%0.434%0.337SS..EExtended strand (participates in β ladder)trans-117149.2177.7-66.6-87.1000110.8P18 V19 K20 A46 R50 F104P18-Y48 HydrophobicContact CB-CD1 4.19Å; P18-Y48 HydrophobicContact CG-CD1 4.42Å; V19-Y48 CarbonylContact O-C 3Å; V19-Y48 VanDerWaalsContact O-CA 3.31Å; V19-Y48 WeakPolarHBondContact O-CA 3.26Å; K20-Y48 HydrophobicContact CB-CD1 3.79Å; K20-Y48 HydrophobicContact CB-CE1 3.61Å; K20-Y48 HydrophobicContact CD-CE1 4.09Å; K20-Y48 HydrophobicContact CG-CD1 4.16Å; K20-Y48 HydrophobicContact CG-CE1 3.81Å; A46-Y48 HydrophobicContact CB-CD2 4.16Å; A46-Y48 HydrophobicContact CB-CE2 3.42Å; A46-Y48 VanDerWaalsContact CB-CE2 3.42Å; Y48-R50 PolarHBondContact O-N 2.76Å; Y48-R50 VanDerWaalsContact O-N 3.12Å; Y48-F104 WeakPolarHBondContact O-CZ 3.48Å
49K98.4Very high96.3Very high73 Ų7363.1 Ų63.132%0.31732%0.321SS..  trans-51.5120.8170.5-179.9165.1-179.7172.60110.2V19 Y21 D102 R149V19-K49 HydrophobicContact CB-CB 3.9Å; V19-K49 HydrophobicContact CB-CD 4.44Å; V19-K49 PolarHBondContact O-N 3.35Å; Y21-K49 HydrophobicContact CE1-CB 4.15Å; Y21-K49 VanDerWaalsContact CE2-CA 3.41Å; Y21-K49 HydrophobicContact CE2-CB 4.12Å; Y21-K49 VanDerWaalsContact CZ-CA 3.46Å; Y21-K49 WeakPolarHBondContact OH-CA 3.5Å; Y21-K49 WeakPolarHBondContact OH-CB 3.48Å; Y21-K49 VanDerWaalsContact OH-CG 3.32Å; Y21-K49 WeakPolarHBondContact OH-CG 3.23Å; K49-D102 WeakPolarHBondContact CA-OD2 3.48Å; K49-R149 PolarHBondContact NZ-O 2.81Å
50R98Very high96.2Very high60 Ų6063.5 Ų63.523%0.22631%0.312CS..  trans-72150.6-178.7-64.8-174.5-176-917.1110.2Y48 K52 N54 D102 M103 F104 D115 R149Y48-R50 PolarHBondContact O-N 2.76Å; Y48-R50 VanDerWaalsContact O-N 3.12Å; R50-K52 VanDerWaalsContact C-N 3.26Å; R50-K52 VanDerWaalsContact CB-O 3.23Å; R50-K52 WeakPolarHBondContact CB-O 3.41Å; R50-K52 PolarHBondContact O-N 2.98Å; R50-N54 VanDerWaalsContact CD-OD1 3.24Å; R50-N54 WeakPolarHBondContact CD-OD1 3.39Å; R50-N54 PolarHBondContact NE-ND2 3.16Å; R50-N54 PolarHBondContact NE-OD1 2.92Å; R50-D102 HydrophobicContact CG-CB 4.29Å; R50-D102 PolarHBondContact N-OD2 2.82Å; R50-M103 PolarHBondContact NE-O 3.13Å; R50-M103 PolarHBondContact NH2-O 3.41Å; R50-F104 HydrophobicContact CG-CE1 4.44Å; R50-F104 HydrophobicContact CG-CZ 4.2Å; R50-F104 VanDerWaalsContact NH2-CD1 3.31Å; R50-D115 IonicContact CZ-OD1 3.15Å; R50-D115 IonicContact NH1-OD1 3.86Å; R50-D115 IonicContact NH2-OD1 2.92Å; R50-D115 PolarHBondContact NH2-OD1 2.89Å; R50-D115 IonicContact NH2-OD2 3.65Å; R50-D115 PolarHBondContact NH2-OD2 3.34Å; R50-R149 PolarHBondContact O-NH1 3.38Å; R50-R149 PolarHBondContact O-NH2 2.91Å
51P97.3Very high96.1Very high133 Ų13363.2 Ų63.286%0.86432%0.32SS*.SBendtrans-55-44.2173.9-26.434.8000112.2
52K97.7Very high95.9Very high180 Ų18061.1 Ų61.178%0.78331%0.314SS*.SBendtrans-118140.2173.5-64.4-175.6179.9-1780109.6R50R50-K52 VanDerWaalsContact C-N 3.26Å; R50-K52 VanDerWaalsContact CB-O 3.23Å; R50-K52 WeakPolarHBondContact CB-O 3.41Å; R50-K52 PolarHBondContact O-N 2.98Å
53A98.3Very high95.6Very high23 Ų2361.9 Ų61.919%0.1933%0.326CS..  trans-58.4139.7173.500000109.6H97 S99 D102A53-H97 PolarHBondContact O-CE1 3.38Å; A53-H97 VanDerWaalsContact O-CE1 3.22Å; A53-S99 WeakPolarHBondContact CB-O 3.26Å; A53-D102 WeakPolarHBondContact CA-OD1 3.37Å
54N98.3Very high95Very high49 Ų4962 Ų6226%0.26233%0.326SS..  trans-129.712.8171.875.2-36.5000111.9R50 D102 M103R50-N54 VanDerWaalsContact CD-OD1 3.24Å; R50-N54 WeakPolarHBondContact CD-OD1 3.39Å; R50-N54 PolarHBondContact NE-ND2 3.16Å; R50-N54 PolarHBondContact NE-OD1 2.92Å; N54-D102 WeakPolarHBondContact OD1-CA 3.18Å; N54-M103 PolarHBondContact ND2-O 3.02Å; N54-M103 PolarHBondContact OD1-N 2.97Å; N54-M103 PolarHBondContact OD1-O 2.79Å
55G98.1Very high94.2Very high0 Ų063.9 Ų63.90%035%0.349CS..EExtended strand (participates in β ladder)trans-60.8157.9175.100000112.6H97 D98 T101G55-H97 PolarHBondContact O-ND1 3.24Å; G55-D98 PolarHBondContact O-N 3.32Å; G55-T101 VanDerWaalsContact CA-O 3.3Å; G55-T101 WeakPolarHBondContact CA-O 3.25Å; G55-T101 WeakPolarHBondContact CA-OG1 3.44Å; G55-T101 PolarHBondContact N-O 3.44Å
56V97.9Very high93.2Very high15 Ų1563.6 Ų63.69%0.09135%0.351CS..EExtended strand (participates in β ladder)trans-139.7151.7177.5-63.80000110.9H79 Y95 T96 M103 F162V56-H79 HydrophobicContact CG1-CB 4.36Å; V56-Y95 HydrophobicContact CB-CD1 4.19Å; V56-Y95 HydrophobicContact CG2-CD1 3.87Å; V56-T96 CarbonylContact C-O 3.45Å; V56-T96 WeakPolarHBondContact CA-O 3.48Å; V56-M103 HydrophobicContact CG2-SD 4.14Å; V56-F162 HydrophobicContact CG2-CE2 3.69Å; V56-F162 HydrophobicContact CG2-CZ 4Å
57K96.3Very high92.1Very high102 Ų10264 Ų6444%0.44335%0.352SS..EExtended strand (participates in β ladder)trans-138.1151.3177.762.7-175.8177.3-178.40111.3Y95 T96 D98K57-Y95 VanDerWaalsContact C-CD1 3.44Å; K57-Y95 CarbonylContact O-C 3.43Å; K57-Y95 VanDerWaalsContact O-CA 3.24Å; K57-Y95 WeakPolarHBondContact O-CA 3.1Å; K57-T96 HydrophobicContact CG-CG2 3.85Å; K57-T96 PolarHBondContact N-O 3.04Å; K57-T96 PolarHBondContact O-N 3.34Å; K57-D98 HydrophobicContact CB-CB 4.33Å; K57-D98 HydrophobicContact CD-CB 4.23Å; K57-D98 HydrophobicContact CG-CB 4.23Å
58P94.4Very high90.9Very high68 Ų6870.6 Ų70.644%0.44238%0.383SS..EExtended strand (participates in β ladder)trans-54.3144.8176.7-22.231.3000112.1V93 Y95P58-V93 HydrophobicContact CB-CG1 4.37Å; P58-Y95 HydrophobicContact CB-CE1 4.46Å; P58-Y95 HydrophobicContact CG-CE1 3.79Å
59S92.1Very high89.8Confident55 Ų5567.4 Ų67.439%0.38538%0.377SS..EExtended strand (participates in β ladder)trans-137.8-132.4-177.5-169.40000109.2E94S59-E94 WeakPolarHBondContact CA-O 3.15Å; S59-E94 WeakPolarHBondContact CB-O 3.18Å; S59-E94 PolarHBondContact N-O 3.24Å
60T89.9Confident88.6Confident68 Ų6864 Ų6442%0.41736%0.363SS..EExtended strand (participates in β ladder)trans-60.1144.9-179-37.60000112.8H62 E94T60-H62 WeakPolarHBondContact CG2-NE2 3.42Å; T60-E94 PolarHBondContact O-N 3.23Å
61V91Very high87.4Confident85 Ų8569.7 Ų69.752%0.51539%0.389SS..EExtended strand (participates in β ladder)trans-113.3129.1173.9-175.90000109.4V91 V92 V93V61-V91 HydrophobicContact CG1-CG1 3.54Å; V61-V92 WeakPolarHBondContact CA-O 2.89Å; V61-V93 HydrophobicContact CG1-CG2 4.36Å; V61-V93 HydrophobicContact CG2-CG1 4.39Å; V61-V93 HydrophobicContact CG2-CG2 4.2Å
62H88.5Confident86Confident54 Ų5467.6 Ų67.625%0.2538%0.383CS..EExtended strand (participates in β ladder)trans-116.1143.7176-55.3-84.7000110.4T60 I73 V91 V92 E94T60-H62 WeakPolarHBondContact CG2-NE2 3.42Å; H62-I73 HydrophobicContact CB-CG2 3.97Å; H62-V91 CarbonylContact O-C 3.21Å; H62-V91 WeakPolarHBondContact O-CA 3.35Å; H62-V92 HydrophobicContact CB-CB 4.42Å; H62-V92 PolarHBondContact N-O 2.7Å; H62-V92 PolarHBondContact O-N 3.17Å; H62-E94 IonicContact NE2-OE1 3.79Å; H62-E94 IonicContact NE2-OE2 3.69Å; H62-E94 PolarHBondContact NE2-OE2 3.07Å
63V87.3Confident84.7Confident99 Ų9962.3 Ų62.360%0.636%0.363SS*.EExtended strand (participates in β ladder)trans-112.4122.4171.4-175.20000107.8Q89 V91V63-Q89 HydrophobicContact CG1-CG 4.28Å; V63-V91 HydrophobicContact CG2-CG2 4.48Å
64A83.1Confident83.3Confident3 Ų362.6 Ų62.63%0.02536%0.363CS..EExtended strand (participates in β ladder)trans-115.2142.7-179.600000110.7S66 A69 A70 I73 Q89 T90A64-S66 PolarHBondContact O-N 2.84Å; A64-A69 HydrophobicContact CB-CB 4.25Å; A64-A70 HydrophobicContact CB-CB 3.86Å; A64-I73 HydrophobicContact CB-CD1 3.67Å; A64-Q89 WeakPolarHBondContact O-CA 3.45Å; A64-T90 PolarHBondContact N-O 2.83Å; A64-T90 PolarHBondContact O-N 2.85Å
65C79.4Confident82.3Confident110 Ų11063.4 Ų63.474%0.74337%0.368SS*.SBendtrans-75.8-3.2-179.6-56.80000114A88C65-A88 CarbonylContact C-O 3.49Å; C65-A88 VanDerWaalsContact CA-O 3.31Å; C65-A88 WeakPolarHBondContact CA-O 3.35Å; C65-A88 CarbonylContact O-C 3.53Å; C65-A88 VanDerWaalsContact O-CA 3.24Å; C65-A88 WeakPolarHBondContact O-CA 3.48Å
66S76.8Confident81.2Confident29 Ų2972.1 Ų72.120%0.20341%0.406CS..SBendtrans-162.8161.6173.2700000111.5A64 Q68 A69 A70A64-S66 PolarHBondContact O-N 2.84Å; S66-Q68 PolarHBondContact O-N 2.87Å; S66-A69 PolarHBondContact O-N 2.92Å; S66-A69 WeakPolarHBondContact OG-CB 3.33Å; S66-A69 PolarHBondContact OG-N 2.82Å; S66-A70 PolarHBondContact O-N 2.9Å
67P73.3Confident80.4Confident35 Ų3577.7 Ų77.723%0.22744%0.435CS..Hα-helixtrans-59.6-32.3171.3-2534.6000113.6K71 T84P67-K71 PolarHBondContact O-N 3.36Å; P67-K71 VanDerWaalsContact O-N 3.15Å; P67-T84 HydrophobicContact CG-CG2 3.9Å
68Q75.3Confident80.1Confident140 Ų14075.5 Ų75.565%0.65443%0.426SS*.Hα-helixtrans-69.3-42.7176.5-65.380.3-0.400111S66 A70 K71 A72S66-Q68 PolarHBondContact O-N 2.87Å; Q68-A70 VanDerWaalsContact C-N 3.34Å; Q68-K71 PolarHBondContact O-N 3.02Å; Q68-A72 PolarHBondContact O-N 3.4Å
69A73.8Confident80.2Confident34 Ų3474.3 Ų74.328%0.28141%0.414SS..Hα-helixtrans-65.1-39174.400000111.5A64 S66 K71 A72 I73A64-A69 HydrophobicContact CB-CB 4.25Å; S66-A69 PolarHBondContact O-N 2.92Å; S66-A69 WeakPolarHBondContact OG-CB 3.33Å; S66-A69 PolarHBondContact OG-N 2.82Å; A69-K71 VanDerWaalsContact C-N 3.31Å; A69-K71 PolarHBondContact O-N 3.32Å; A69-A72 WeakPolarHBondContact O-CB 3.27Å; A69-A72 PolarHBondContact O-N 3.31Å; A69-I73 WeakPolarHBondContact O-CD1 3.5Å; A69-I73 WeakPolarHBondContact O-CG1 3.41Å; A69-I73 PolarHBondContact O-N 2.85Å; A69-I73 VanDerWaalsContact O-N 3.07Å
70A74.8Confident80.4Confident3 Ų371.7 Ų71.73%0.02540%0.396CS..Hα-helixtrans-57.7-41.9174.200000112.5A64 S66 Q68 A72 I73 S74 T90 V92A64-A70 HydrophobicContact CB-CB 3.86Å; S66-A70 PolarHBondContact O-N 2.9Å; Q68-A70 VanDerWaalsContact C-N 3.34Å; A70-A72 VanDerWaalsContact C-N 3.26Å; A70-A72 PolarHBondContact O-N 2.63Å; A70-I73 PolarHBondContact O-N 2.94Å; A70-S74 PolarHBondContact O-N 3.14Å; A70-S74 VanDerWaalsContact O-N 3.09Å; A70-T90 HydrophobicContact CB-CG2 3.65Å; A70-V92 HydrophobicContact CB-CG2 3.58Å
71K71.9Confident80.7Confident178 Ų17868.5 Ų68.577%0.77438%0.377SS*.Hα-helixtrans-63.1-30.9174.3-77.1-175.5176.6-175.50113.4P67 Q68 A69P67-K71 PolarHBondContact O-N 3.36Å; P67-K71 VanDerWaalsContact O-N 3.15Å; Q68-K71 PolarHBondContact O-N 3.02Å; A69-K71 VanDerWaalsContact C-N 3.31Å; A69-K71 PolarHBondContact O-N 3.32Å
72A67.8Low80.9Confident89 Ų8965 Ų6574%0.73636%0.356SS*.Hα-helixtrans-77.2-26.2176.800000112.8Q68 A69 A70Q68-A72 PolarHBondContact O-N 3.4Å; A69-A72 WeakPolarHBondContact O-CB 3.27Å; A69-A72 PolarHBondContact O-N 3.31Å; A70-A72 VanDerWaalsContact C-N 3.26Å; A70-A72 PolarHBondContact O-N 2.63Å
73I70.5Confident81.2Confident70 Ų7062.5 Ų62.536%0.35934%0.344SS..Hα-helixtrans-83-29.5178.9-63.3158.4000111.6H62 A64 A69 A70 N75H62-I73 HydrophobicContact CB-CG2 3.97Å; A64-I73 HydrophobicContact CB-CD1 3.67Å; A69-I73 WeakPolarHBondContact O-CD1 3.5Å; A69-I73 WeakPolarHBondContact O-CG1 3.41Å; A69-I73 PolarHBondContact O-N 2.85Å; A69-I73 VanDerWaalsContact O-N 3.07Å; A70-I73 PolarHBondContact O-N 2.94Å; I73-N75 PolarHBondContact O-N 2.79Å
74S69.2Low81.4Confident28 Ų2858 Ų5820%0.19632%0.317CS..SBendtrans-63.3119.9-177.7-168.80000111.8A70 K76 S80A70-S74 PolarHBondContact O-N 3.14Å; A70-S74 VanDerWaalsContact O-N 3.09Å; S74-K76 PolarHBondContact O-N 3.42Å; S74-S80 PolarHBondContact OG-OG 2.9Å
75N76.6Confident81.6Confident66 Ų6660.7 Ų60.735%0.35333%0.331SS..  trans-65.8119.1169.2-175.4-15000110.1I73 D77 Q78I73-N75 PolarHBondContact O-N 2.79Å; N75-D77 PolarHBondContact O-N 2.89Å; N75-D77 PolarHBondContact OD1-N 2.64Å; N75-Q78 HydrophobicContact CB-CB 4.25Å; N75-Q78 HydrophobicContact CB-CG 4.28Å; N75-Q78 PolarHBondContact O-N 2.91Å; N75-Q78 VanDerWaalsContact O-N 3.12Å
76K74.9Confident81.9Confident184 Ų18457.7 Ų57.780%0.831%0.311SS*.THydrogen-bonded Turntrans-62.7-21.4-179.3-68.7-176.1178.1177.90113.5S74 K166S74-K76 PolarHBondContact O-N 3.42Å; K76-K166 PolarHBondContact O-NZ 3.17Å
77D82.6Confident82.1Confident131 Ų13166.1 Ų66.170%0.70134%0.339SS*.THydrogen-bonded Turntrans-85.2-18.4179.9-66.7-39.6000112.9N75 K166N75-D77 PolarHBondContact O-N 2.89Å; N75-D77 PolarHBondContact OD1-N 2.64Å; D77-K166 PolarHBondContact O-NZ 2.83Å
78Q89.8Confident82.7Confident56 Ų5667.7 Ų67.726%0.26236%0.355SS..SBendtrans-103.2161.1-179.6-63.4-168.40.400112.5N75 E94N75-Q78 HydrophobicContact CB-CB 4.25Å; N75-Q78 HydrophobicContact CB-CG 4.28Å; N75-Q78 PolarHBondContact O-N 2.91Å; N75-Q78 VanDerWaalsContact O-N 3.12Å; Q78-E94 PolarHBondContact OE1-OE2 3.3Å
79H96.1Very high83.3Confident43 Ų4365 Ų6520%0.19934%0.342CS..EExtended strand (participates in β ladder)trans-84153.5170.9-68.581.8000109.6V56 Y95 F162 K166V56-H79 HydrophobicContact CG1-CB 4.36Å; H79-Y95 PolarHBondContact N-O 3.15Å; H79-Y95 PolarHBondContact O-N 2.71Å; H79-F162 HydrophobicContact CB-CD1 4.03Å; H79-F162 HydrophobicContact CB-CE1 3.76Å; H79-F162 HydrophobicContact CB-CE2 4.38Å; H79-F162 HydrophobicContact CB-CG 4.46Å; H79-F162 HydrophobicContact CB-CZ 3.95Å; H79-F162 AromaticContact CD2-CD1 3.86Å; H79-F162 AromaticContact CD2-CD2 3.58Å; H79-F162 AromaticContact CD2-CG 3.46Å; H79-F162 VanDerWaalsContact CD2-CG 3.46Å; H79-F162 WeakPolarHBondContact CD2-CG 3.22Å; H79-K166 CarbonylContact C-O 3.56Å; H79-K166 WeakPolarHBondContact CA-O 3.44Å; H79-K166 HydrophobicContact CB-CB 4.46Å
80S95.9Very high84.1Confident1 Ų163.4 Ų63.41%0.00733%0.329CS..EExtended strand (participates in β ladder)trans-149.3157.8177.561.50000113.2S74 V93 F162 K166 N167 I168S74-S80 PolarHBondContact OG-OG 2.9Å; S80-V93 CarbonylContact C-O 3.57Å; S80-V93 VanDerWaalsContact CA-O 3.26Å; S80-V93 WeakPolarHBondContact CA-O 3.5Å; S80-F162 WeakPolarHBondContact O-CE1 3.29Å; S80-K166 PolarHBondContact N-O 2.86Å; S80-N167 CarbonylContact O-C 3.44Å; S80-N167 VanDerWaalsContact O-CA 3.29Å; S80-N167 WeakPolarHBondContact O-CA 3.43Å; S80-N167 PolarHBondContact O-OD1 3.41Å; S80-N167 PolarHBondContact OG-OD1 3.32Å; S80-I168 PolarHBondContact O-N 2.81Å
81I96.3Very high84.9Confident0 Ų063.6 Ų63.60%033%0.33CS..EExtended strand (participates in β ladder)trans-122.8121.4170.5-51.5-169.2000108.5Y83 V92 V93 Y95 F162 I168 L170 V215I81-Y83 HydrophobicContact CB-CE2 3.9Å; I81-Y83 HydrophobicContact CG2-CD2 4.15Å; I81-Y83 HydrophobicContact CG2-CE1 4.15Å; I81-Y83 HydrophobicContact CG2-CE2 3.5Å; I81-Y83 VanDerWaalsContact CG2-CZ 3.49Å; I81-V92 WeakPolarHBondContact O-CA 3.49Å; I81-V93 PolarHBondContact N-O 3.21Å; I81-V93 PolarHBondContact O-N 3.21Å; I81-Y95 HydrophobicContact CB-CE2 4.26Å; I81-Y95 HydrophobicContact CD1-CD2 4.38Å; I81-Y95 HydrophobicContact CD1-CE1 4.48Å; I81-Y95 HydrophobicContact CD1-CE2 3.48Å; I81-Y95 VanDerWaalsContact CD1-CE2 3.48Å; I81-Y95 VanDerWaalsContact CD1-OH 3.31Å; I81-Y95 WeakPolarHBondContact CD1-OH 3.1Å; I81-Y95 HydrophobicContact CG1-CD2 4Å; I81-Y95 HydrophobicContact CG1-CE2 3.46Å; I81-Y95 VanDerWaalsContact CG1-CE2 3.46Å; I81-F162 HydrophobicContact CG1-CE1 4Å; I81-I168 WeakPolarHBondContact CA-O 3.3Å; I81-I168 HydrophobicContact CB-CB 4.39Å; I81-I168 HydrophobicContact CD1-CB 4.49Å; I81-I168 HydrophobicContact CD1-CD1 3.89Å; I81-I168 HydrophobicContact CG1-CB 4.05Å; I81-I168 HydrophobicContact CG1-CD1 4.12Å; I81-I168 HydrophobicContact CG2-CB 4.06Å; I81-I168 HydrophobicContact CG2-CG2 4.03Å; I81-L170 HydrophobicContact CG2-CD1 4.3Å; I81-V215 HydrophobicContact CD1-CG1 3.52Å; I81-V215 HydrophobicContact CG2-CG1 4.18Å
82S94.9Very high86Confident13 Ų1355.2 Ų55.29%0.09129%0.293CS..EExtended strand (participates in β ladder)trans-102.9111.8-177.5-62.20000110.9N167 I168 L170S82-N167 PolarHBondContact OG-OD1 3.41Å; S82-I168 PolarHBondContact N-O 3.49Å; S82-L170 PolarHBondContact O-N 3.38Å
83Y94.9Very high87.2Confident0 Ų051.4 Ų51.40%026%0.261CS..EExtended strand (participates in β ladder)trans-99.4100.1176.8-58.5-91.9000110I81 L85 T90 V91 V93 L170 K176 M184 C216I81-Y83 HydrophobicContact CB-CE2 3.9Å; I81-Y83 HydrophobicContact CG2-CD2 4.15Å; I81-Y83 HydrophobicContact CG2-CE1 4.15Å; I81-Y83 HydrophobicContact CG2-CE2 3.5Å; I81-Y83 VanDerWaalsContact CG2-CZ 3.49Å; Y83-L85 PolarHBondContact O-N 3.02Å; Y83-T90 WeakPolarHBondContact O-CA 3.48Å; Y83-V91 PolarHBondContact N-O 3.09Å; Y83-V91 PolarHBondContact O-N 3.37Å; Y83-V93 HydrophobicContact CD2-CG2 4.18Å; Y83-V93 HydrophobicContact CE2-CB 4.34Å; Y83-V93 HydrophobicContact CE2-CG2 3.71Å; Y83-L170 HydrophobicContact CD1-CB 4.46Å; Y83-L170 HydrophobicContact CD1-CD1 3.5Å; Y83-L170 HydrophobicContact CE1-CD1 3.31Å; Y83-K176 HydrophobicContact CD1-CB 4.27Å; Y83-M184 HydrophobicContact CD1-CB 4.24Å; Y83-M184 HydrophobicContact CD1-CE 4.05Å; Y83-M184 HydrophobicContact CD2-CB 3.77Å; Y83-M184 HydrophobicContact CD2-CG 4.27Å; Y83-M184 HydrophobicContact CE1-CB 4.13Å; Y83-M184 HydrophobicContact CE2-CB 3.64Å; Y83-M184 HydrophobicContact CG-CB 4.08Å; Y83-M184 HydrophobicContact CG-CE 4.07Å; Y83-M184 HydrophobicContact CG-CG 4.47Å; Y83-M184 PolarHBondContact OH-O 3.28Å; Y83-C216 PolarHBondContact OH-SG 2.66Å; Y83-C216 VanDerWaalsContact OH-SG 3.4Å
84T92.1Very high88.4Confident4 Ų449.1 Ų49.13%0.02525%0.249CC..EExtended strand (participates in β ladder)trans-86.291-178.9-57.20000111P67 F169 L170 E172 K176P67-T84 HydrophobicContact CG-CG2 3.9Å; T84-F169 VanDerWaalsContact OG1-CE2 3.27Å; T84-F169 WeakPolarHBondContact OG1-CE2 3.23Å; T84-L170 PolarHBondContact N-O 2.74Å; T84-E172 HydrophobicContact CG2-CG 3.95Å; T84-K176 WeakPolarHBondContact O-CE 3.5Å
85L87.6Confident89.6Confident61 Ų6148.4 Ų48.432%0.31924%0.242SC..EExtended strand (participates in β ladder)trans-68-40.4-177.4-58.5179.8000112.1Y83 Q89 V91 K176 M184Y83-L85 PolarHBondContact O-N 3.02Å; L85-Q89 HydrophobicContact CB-CB 4.41Å; L85-Q89 HydrophobicContact CD1-CG 4.21Å; L85-Q89 PolarHBondContact N-O 3.34Å; L85-V91 HydrophobicContact CD1-CG2 3.89Å; L85-K176 HydrophobicContact CD2-CD 3.94Å; L85-K176 HydrophobicContact CD2-CG 4Å; L85-M184 HydrophobicContact CD2-CE 3.89Å
86S85.6Confident90.5Very high47 Ų4747.5 Ų47.533%0.32924%0.239SC..EExtended strand (participates in β ladder)trans-155.2177174.271.30000110.2A88 Q89S86-A88 PolarHBondContact O-N 3.31Å; S86-A88 VanDerWaalsContact O-N 3.1Å; S86-A88 PolarHBondContact OG-N 3.3Å; S86-Q89 PolarHBondContact N-O 2.74Å; S86-Q89 VanDerWaalsContact N-O 3.14Å; S86-Q89 PolarHBondContact O-N 2.89Å; S86-Q89 VanDerWaalsContact O-N 3.16Å; S86-Q89 VanDerWaalsContact O-O 3.12Å; S86-Q89 PolarHBondContact OG-N 2.85Å
87R81.2Confident91.6Very high205 Ų20543.8 Ų43.877%0.77422%0.224SC*.THydrogen-bonded Turntrans-56.2-24.8172.1-63.9-174.6-177.1-176.21.6113.7E172R87-E172 WeakPolarHBondContact CG-OE1 3.26Å; R87-E172 PolarHBondContact N-OE1 3.01Å
88A85Confident92.3Very high68 Ų6838.5 Ų38.556%0.56220%0.196SC*.THydrogen-bonded Turntrans-106.61.6-176.700000113.5C65 S86C65-A88 CarbonylContact C-O 3.49Å; C65-A88 VanDerWaalsContact CA-O 3.31Å; C65-A88 WeakPolarHBondContact CA-O 3.35Å; C65-A88 CarbonylContact O-C 3.53Å; C65-A88 VanDerWaalsContact O-CA 3.24Å; C65-A88 WeakPolarHBondContact O-CA 3.48Å; S86-A88 PolarHBondContact O-N 3.31Å; S86-A88 VanDerWaalsContact O-N 3.1Å; S86-A88 PolarHBondContact OG-N 3.3Å
89Q87.6Confident92.7Very high84 Ų8439.4 Ų39.439%0.39321%0.208SC..EExtended strand (participates in β ladder)trans-150.4119.2-177.2-165.5178.835.400112.3V63 A64 L85 S86V63-Q89 HydrophobicContact CG1-CG 4.28Å; A64-Q89 WeakPolarHBondContact O-CA 3.45Å; L85-Q89 HydrophobicContact CB-CB 4.41Å; L85-Q89 HydrophobicContact CD1-CG 4.21Å; L85-Q89 PolarHBondContact N-O 3.34Å; S86-Q89 PolarHBondContact N-O 2.74Å; S86-Q89 VanDerWaalsContact N-O 3.14Å; S86-Q89 PolarHBondContact O-N 2.89Å; S86-Q89 VanDerWaalsContact O-N 3.16Å; S86-Q89 VanDerWaalsContact O-O 3.12Å; S86-Q89 PolarHBondContact OG-N 2.85Å
90T90.6Very high92.8Very high1 Ų141.8 Ų41.81%0.00622%0.223CC..EExtended strand (participates in β ladder)trans-126.1129.3171-60.60000109.1A64 A70 Y83 V92A64-T90 PolarHBondContact N-O 2.83Å; A64-T90 PolarHBondContact O-N 2.85Å; A70-T90 HydrophobicContact CB-CG2 3.65Å; Y83-T90 WeakPolarHBondContact O-CA 3.48Å; T90-V92 HydrophobicContact CG2-CG2 4.13Å
91V92.6Very high93Very high7 Ų742.5 Ų42.54%0.04223%0.227CC..EExtended strand (participates in β ladder)trans-97.4126.5170.2-177.10000108V61 H62 V63 Y83 L85 M184V61-V91 HydrophobicContact CG1-CG1 3.54Å; H62-V91 CarbonylContact O-C 3.21Å; H62-V91 WeakPolarHBondContact O-CA 3.35Å; V63-V91 HydrophobicContact CG2-CG2 4.48Å; Y83-V91 PolarHBondContact N-O 3.09Å; Y83-V91 PolarHBondContact O-N 3.37Å; L85-V91 HydrophobicContact CD1-CG2 3.89Å; V91-M184 HydrophobicContact CB-CG 4.18Å; V91-M184 HydrophobicContact CG1-CG 3.78Å
92V93.4Very high93.1Very high1 Ų142.5 Ų42.51%0.00623%0.227CC..EExtended strand (participates in β ladder)trans-111.3122.3176.8-176.60000108.1V61 H62 A70 I81 T90V61-V92 WeakPolarHBondContact CA-O 2.89Å; H62-V92 HydrophobicContact CB-CB 4.42Å; H62-V92 PolarHBondContact N-O 2.7Å; H62-V92 PolarHBondContact O-N 3.17Å; A70-V92 HydrophobicContact CB-CG2 3.58Å; I81-V92 WeakPolarHBondContact O-CA 3.49Å; T90-V92 HydrophobicContact CG2-CG2 4.13Å
93V94.4Very high93.3Very high10 Ų1042.3 Ų42.36%0.06123%0.225CC..EExtended strand (participates in β ladder)trans-103.7116.1173-177.20000107.7P58 V61 S80 I81 Y83 Y95 M184P58-V93 HydrophobicContact CB-CG1 4.37Å; V61-V93 HydrophobicContact CG1-CG2 4.36Å; V61-V93 HydrophobicContact CG2-CG1 4.39Å; V61-V93 HydrophobicContact CG2-CG2 4.2Å; S80-V93 CarbonylContact C-O 3.57Å; S80-V93 VanDerWaalsContact CA-O 3.26Å; S80-V93 WeakPolarHBondContact CA-O 3.5Å; I81-V93 PolarHBondContact N-O 3.21Å; I81-V93 PolarHBondContact O-N 3.21Å; Y83-V93 HydrophobicContact CD2-CG2 4.18Å; Y83-V93 HydrophobicContact CE2-CB 4.34Å; Y83-V93 HydrophobicContact CE2-CG2 3.71Å; V93-Y95 HydrophobicContact CB-CE2 4.3Å; V93-Y95 HydrophobicContact CG1-CD2 4.3Å; V93-Y95 HydrophobicContact CG1-CE2 3.86Å; V93-M184 HydrophobicContact CG2-CB 4.43Å
94E94.4Very high93.5Very high21 Ų2142.7 Ų42.710%0.09823%0.226CC..EExtended strand (participates in β ladder)trans-75.3149.9173.7-67.9-168.2142.900110.7S59 T60 H62 Q78S59-E94 WeakPolarHBondContact CA-O 3.15Å; S59-E94 WeakPolarHBondContact CB-O 3.18Å; S59-E94 PolarHBondContact N-O 3.24Å; T60-E94 PolarHBondContact O-N 3.23Å; H62-E94 IonicContact NE2-OE1 3.79Å; H62-E94 IonicContact NE2-OE2 3.69Å; H62-E94 PolarHBondContact NE2-OE2 3.07Å; Q78-E94 PolarHBondContact OE1-OE2 3.3Å
95Y95.7Very high93.8Very high13 Ų1342.7 Ų42.75%0.05123%0.226CC..EExtended strand (participates in β ladder)trans-125.5116.3179.6-86.5-109.7000108.9V56 K57 P58 H79 I81 V93 F162V56-Y95 HydrophobicContact CB-CD1 4.19Å; V56-Y95 HydrophobicContact CG2-CD1 3.87Å; K57-Y95 VanDerWaalsContact C-CD1 3.44Å; K57-Y95 CarbonylContact O-C 3.43Å; K57-Y95 VanDerWaalsContact O-CA 3.24Å; K57-Y95 WeakPolarHBondContact O-CA 3.1Å; P58-Y95 HydrophobicContact CB-CE1 4.46Å; P58-Y95 HydrophobicContact CG-CE1 3.79Å; H79-Y95 PolarHBondContact N-O 3.15Å; H79-Y95 PolarHBondContact O-N 2.71Å; I81-Y95 HydrophobicContact CB-CE2 4.26Å; I81-Y95 HydrophobicContact CD1-CD2 4.38Å; I81-Y95 HydrophobicContact CD1-CE1 4.48Å; I81-Y95 HydrophobicContact CD1-CE2 3.48Å; I81-Y95 VanDerWaalsContact CD1-CE2 3.48Å; I81-Y95 VanDerWaalsContact CD1-OH 3.31Å; I81-Y95 WeakPolarHBondContact CD1-OH 3.1Å; I81-Y95 HydrophobicContact CG1-CD2 4Å; I81-Y95 HydrophobicContact CG1-CE2 3.46Å; I81-Y95 VanDerWaalsContact CG1-CE2 3.46Å; V93-Y95 HydrophobicContact CB-CE2 4.3Å; V93-Y95 HydrophobicContact CG1-CD2 4.3Å; V93-Y95 HydrophobicContact CG1-CE2 3.86Å; Y95-F162 HydrophobicContact CD1-CZ 4.21Å; Y95-F162 HydrophobicContact CG-CZ 4.22Å
96T95.9Very high94.3Very high48 Ų4839.8 Ų39.829%0.29421%0.211SC..EExtended strand (participates in β ladder)trans-92.5165.1179.1-1660000111.1V56 K57 D98V56-T96 CarbonylContact C-O 3.45Å; V56-T96 WeakPolarHBondContact CA-O 3.48Å; K57-T96 HydrophobicContact CG-CG2 3.85Å; K57-T96 PolarHBondContact N-O 3.04Å; K57-T96 PolarHBondContact O-N 3.34Å; T96-D98 PolarHBondContact O-N 3.03Å
97H97.3Very high94.9Very high105 Ų10537.6 Ų37.649%0.48620%0.195SC..EExtended strand (participates in β ladder)trans-61.5135.4178.7-176.848.4000111.8A53 G55A53-H97 PolarHBondContact O-CE1 3.38Å; A53-H97 VanDerWaalsContact O-CE1 3.22Å; G55-H97 PolarHBondContact O-ND1 3.24Å
98D97.8Very high95.7Very high21 Ų2133 Ų3311%0.11218%0.178CC..EExtended strand (participates in β ladder)trans-114.4112.8168.4179.222.4000109.9G55 K57 T96 N100 T101G55-D98 PolarHBondContact O-N 3.32Å; K57-D98 HydrophobicContact CB-CB 4.33Å; K57-D98 HydrophobicContact CD-CB 4.23Å; K57-D98 HydrophobicContact CG-CB 4.23Å; T96-D98 PolarHBondContact O-N 3.03Å; D98-N100 PolarHBondContact O-N 3.4Å; D98-N100 WeakPolarHBondContact OD1-CB 3.28Å; D98-N100 PolarHBondContact OD1-N 3.15Å; D98-N100 VanDerWaalsContact OD1-N 3.08Å; D98-N100 PolarHBondContact OD1-ND2 3.43Å; D98-T101 WeakPolarHBondContact OD2-CB 3.43Å; D98-T101 VanDerWaalsContact OD2-CG2 3.22Å; D98-T101 WeakPolarHBondContact OD2-CG2 3.03Å; D98-T101 PolarHBondContact OD2-OG1 3.3Å
99S98.1Very high96.2Very high74 Ų7430.2 Ų30.252%0.51716%0.155SC..THydrogen-bonded Turntrans-72.7-12.1-179.755.60000113.4A53 R149A53-S99 WeakPolarHBondContact CB-O 3.26Å; S99-R149 WeakPolarHBondContact O-CD 3.44Å
100N98.4Very high96.6Very high94 Ų9431.3 Ų31.350%0.50317%0.167SC..THydrogen-bonded Turntrans-94.9-7.6-175.7-61-50.8000113.7D98 R149D98-N100 PolarHBondContact O-N 3.4Å; D98-N100 WeakPolarHBondContact OD1-CB 3.28Å; D98-N100 PolarHBondContact OD1-N 3.15Å; D98-N100 VanDerWaalsContact OD1-N 3.08Å; D98-N100 PolarHBondContact OD1-ND2 3.43Å; N100-R149 WeakPolarHBondContact O-CB 3.4Å; N100-R149 WeakPolarHBondContact O-CG 3.39Å; N100-R149 PolarHBondContact O-N 2.69Å
101T98.6Very high96.9Very high16 Ų1633.7 Ų33.710%0.09818%0.178CC..EExtended strand (participates in β ladder)trans-129.4153.9-176.6560000113G55 D98 C147G55-T101 VanDerWaalsContact CA-O 3.3Å; G55-T101 WeakPolarHBondContact CA-O 3.25Å; G55-T101 WeakPolarHBondContact CA-OG1 3.44Å; G55-T101 PolarHBondContact N-O 3.44Å; D98-T101 WeakPolarHBondContact OD2-CB 3.43Å; D98-T101 VanDerWaalsContact OD2-CG2 3.22Å; D98-T101 WeakPolarHBondContact OD2-CG2 3.03Å; D98-T101 PolarHBondContact OD2-OG1 3.3Å; T101-C147 CarbonylContact C-O 3.56Å; T101-C147 VanDerWaalsContact CA-O 3.23Å; T101-C147 WeakPolarHBondContact CA-O 3.28Å
102D98.8Very high97Very high0 Ų038.4 Ų38.40%021%0.211CC..EExtended strand (participates in β ladder)trans-111.3134.2165.5-70-30.3000109.3Y21 K49 R50 A53 N54 F104 M146 C147 R149Y21-D102 HydrophobicContact CE2-CB 3.99Å; Y21-D102 WeakPolarHBondContact CE2-OD2 3.39Å; Y21-D102 PolarHBondContact OH-OD2 3.48Å; K49-D102 WeakPolarHBondContact CA-OD2 3.48Å; R50-D102 HydrophobicContact CG-CB 4.29Å; R50-D102 PolarHBondContact N-OD2 2.82Å; A53-D102 WeakPolarHBondContact CA-OD1 3.37Å; N54-D102 WeakPolarHBondContact OD1-CA 3.18Å; D102-F104 HydrophobicContact CB-CE2 3.77Å; D102-F104 HydrophobicContact CB-CZ 4.16Å; D102-M146 CarbonylContact O-C 3.44Å; D102-M146 WeakPolarHBondContact O-CA 3.28Å; D102-C147 PolarHBondContact N-O 3.15Å; D102-C147 PolarHBondContact O-N 2.8Å; D102-R149 WeakPolarHBondContact OD1-CD 3.34Å; D102-R149 IonicContact OD1-CZ 3.17Å; D102-R149 IonicContact OD1-NE 3.85Å; D102-R149 IonicContact OD1-NH1 3.49Å; D102-R149 PolarHBondContact OD1-NH1 2.86Å; D102-R149 IonicContact OD2-NH1 2.7Å; D102-R149 PolarHBondContact OD2-NH1 2.81Å
103M98.8Very high97.2Very high9 Ų939.8 Ų39.84%0.04422%0.221CC..EExtended strand (participates in β ladder)trans-101.3137175.6-1771686600110.7R50 N54 V56 Q105 R144 M146 F162R50-M103 PolarHBondContact NE-O 3.13Å; R50-M103 PolarHBondContact NH2-O 3.41Å; N54-M103 PolarHBondContact ND2-O 3.02Å; N54-M103 PolarHBondContact OD1-N 2.97Å; N54-M103 PolarHBondContact OD1-O 2.79Å; V56-M103 HydrophobicContact CG2-SD 4.14Å; M103-Q105 HydrophobicContact CG-CG 4.28Å; M103-Q105 HydrophobicContact SD-CG 4.48Å; M103-R144 HydrophobicContact CG-CB 4.41Å; M103-R144 HydrophobicContact CG-CG 4.28Å; M103-R144 HydrophobicContact SD-CG 3.93Å; M103-M146 HydrophobicContact CB-CE 3.95Å; M103-M146 HydrophobicContact CB-SD 3.46Å; M103-M146 WeakPolarHBondContact CB-SD 3.46Å; M103-M146 HydrophobicContact CG-CE 4.43Å; M103-M146 HydrophobicContact CG-SD 3.43Å; M103-M146 WeakPolarHBondContact CG-SD 3.37Å; M103-M146 HydrophobicContact SD-SD 3.9Å; M103-F162 HydrophobicContact CE-CD2 3.82Å; M103-F162 HydrophobicContact CE-CE2 4.15Å; M103-F162 HydrophobicContact SD-CD2 3.8Å; M103-F162 HydrophobicContact SD-CE2 3.75Å
104F98.9Very high97.4Very high7 Ų739.4 Ų39.43%0.03122%0.218CC..EExtended strand (participates in β ladder)trans-127.4130.9169.9-57-92.6000109.5Y21 F45 L47 Y48 R50 D102 D115 R144 I145Y21-F104 AromaticContact CD2-CE2 3.93Å; Y21-F104 HydrophobicContact CD2-CE2 3.93Å; Y21-F104 HydrophobicContact CD2-CZ 4.17Å; Y21-F104 HydrophobicContact CE2-CE2 4.02Å; Y21-F104 HydrophobicContact CE2-CZ 4.18Å; F45-F104 HydrophobicContact CE1-CD1 4.09Å; F45-F104 HydrophobicContact CZ-CD1 4.19Å; L47-F104 HydrophobicContact CB-CD2 4.39Å; L47-F104 HydrophobicContact CB-CE1 4.34Å; L47-F104 HydrophobicContact CB-CE2 4.17Å; L47-F104 HydrophobicContact CB-CZ 4.15Å; L47-F104 HydrophobicContact CD2-CB 4.01Å; L47-F104 HydrophobicContact CD2-CD1 4.37Å; L47-F104 HydrophobicContact CD2-CD2 3.51Å; L47-F104 HydrophobicContact CD2-CE2 4.06Å; L47-F104 HydrophobicContact CD2-CG 3.69Å; L47-F104 HydrophobicContact CG-CB 4.38Å; L47-F104 HydrophobicContact CG-CD1 4Å; L47-F104 HydrophobicContact CG-CD2 3.96Å; L47-F104 HydrophobicContact CG-CE1 4.27Å; L47-F104 HydrophobicContact CG-CE2 4.24Å; L47-F104 HydrophobicContact CG-CG 3.83Å; L47-F104 HydrophobicContact CG-CZ 4.4Å; Y48-F104 WeakPolarHBondContact O-CZ 3.48Å; R50-F104 HydrophobicContact CG-CE1 4.44Å; R50-F104 HydrophobicContact CG-CZ 4.2Å; R50-F104 VanDerWaalsContact NH2-CD1 3.31Å; D102-F104 HydrophobicContact CB-CE2 3.77Å; D102-F104 HydrophobicContact CB-CZ 4.16Å; F104-D115 VanDerWaalsContact CA-OD2 3.23Å; F104-D115 WeakPolarHBondContact CA-OD2 3.4Å; F104-R144 CarbonylContact O-C 3.53Å; F104-R144 WeakPolarHBondContact O-CA 3.35Å; F104-I145 PolarHBondContact N-O 3.39Å; F104-I145 PolarHBondContact O-N 2.94Å
105Q98.8Very high97.6Very high5 Ų540 Ų402%0.02322%0.222CC..EExtended strand (participates in β ladder)trans-110.2139-179.9-46.2-157.8119.400112.2M103 P113 I114 D115 F116 C143 R144 F162M103-Q105 HydrophobicContact CG-CG 4.28Å; M103-Q105 HydrophobicContact SD-CG 4.48Å; Q105-P113 WeakPolarHBondContact CB-O 3.46Å; Q105-P113 WeakPolarHBondContact CG-O 3.14Å; Q105-P113 VanDerWaalsContact NE2-CB 3.3Å; Q105-P113 PolarHBondContact NE2-O 3.3Å; Q105-I114 HydrophobicContact CB-CD1 4.1Å; Q105-D115 PolarHBondContact N-OD2 2.95Å; Q105-D115 PolarHBondContact O-N 2.75Å; Q105-F116 PolarHBondContact O-N 3.07Å; Q105-C143 WeakPolarHBondContact CA-O 3.41Å; Q105-R144 HydrophobicContact CG-CG 4.1Å; Q105-F162 PolarHBondContact NE2-O 3Å
106I98.8Very high97.7Very high0 Ų039.3 Ų39.30%022%0.219CC..EExtended strand (participates in β ladder)trans-122.6138.4-177.2-55.492.8000108.3L24 F116 V118 A142 C143 I145 L250 L255L24-I106 HydrophobicContact CD1-CD1 3.98Å; L24-I106 HydrophobicContact CD1-CG1 3.78Å; I106-F116 WeakPolarHBondContact CA-O 3.47Å; I106-F116 HydrophobicContact CG1-CB 4.05Å; I106-F116 HydrophobicContact CG1-CD1 4.34Å; I106-F116 HydrophobicContact CG2-CB 4.41Å; I106-F116 HydrophobicContact CG2-CD1 4.07Å; I106-V118 HydrophobicContact CG2-CG2 3.64Å; I106-A142 WeakPolarHBondContact O-CA 3.46Å; I106-A142 WeakPolarHBondContact O-CB 3.18Å; I106-A142 PolarHBondContact O-N 2.94Å; I106-C143 PolarHBondContact N-O 2.81Å; I106-C143 PolarHBondContact O-N 2.9Å; I106-C143 VanDerWaalsContact O-N 3.15Å; I106-I145 HydrophobicContact CD1-CB 4.49Å; I106-I145 HydrophobicContact CD1-CD1 3.97Å; I106-I145 HydrophobicContact CD1-CG1 3.99Å; I106-L250 HydrophobicContact CG2-CD1 3.72Å; I106-L255 HydrophobicContact CG2-CD1 4.05Å
107G98.3Very high97.8Very high0 Ų037.5 Ų37.50%021%0.208CC..EExtended strand (participates in β ladder)trans175178.9177.700000112.2F116 V117 V118 R140G107-F116 PolarHBondContact N-O 2.85Å; G107-V117 WeakPolarHBondContact O-CA 3.31Å; G107-V118 PolarHBondContact O-N 2.91Å; G107-R140 CarbonylContact C-O 3.48Å; G107-R140 WeakPolarHBondContact CA-O 3.37Å
108R97Very high97.8Very high109 Ų10932.7 Ų32.741%0.41119%0.186SC..SBendtrans-83.4-13.6179.476171.9-179.688.9-3.6114.5V118 S136 I138 S139 R140R108-V118 VanDerWaalsContact CA-O 3.23Å; R108-V118 WeakPolarHBondContact CA-O 3.24Å; R108-V118 WeakPolarHBondContact CB-O 3.41Å; R108-S136 WeakPolarHBondContact CD-OG 3.23Å; R108-I138 HydrophobicContact CB-CB 4.28Å; R108-I138 HydrophobicContact CB-CG2 4.13Å; R108-I138 WeakPolarHBondContact CD-O 3.41Å; R108-I138 PolarHBondContact NE-O 3.33Å; R108-I138 VanDerWaalsContact NE-O 3.12Å; R108-S139 PolarHBondContact N-O 3.02Å; R108-S139 VanDerWaalsContact N-O 3.1Å; R108-R140 HydrophobicContact CG-CG 4.37Å; R108-R140 PolarHBondContact N-O 2.66Å
109S96.6Very high97.6Very high10 Ų1033.4 Ų33.47%0.0719%0.191CC..  trans-70143.3-179.5-1700000110.7E111 I114 R140S109-E111 VanDerWaalsContact C-N 3.31Å; S109-E111 WeakPolarHBondContact OG-CB 3.45Å; S109-E111 VanDerWaalsContact OG-CG 3.31Å; S109-E111 WeakPolarHBondContact OG-CG 3.22Å; S109-E111 PolarHBondContact OG-N 2.96Å; S109-E111 PolarHBondContact OG-OE1 3.19Å; S109-I114 WeakPolarHBondContact O-CG1 3.23Å; S109-R140 VanDerWaalsContact CB-O 3.29Å; S109-R140 WeakPolarHBondContact CB-O 3.36Å; S109-R140 PolarHBondContact N-O 3.49Å
110T95.5Very high97.3Very high106 Ų10632 Ų3265%0.6518%0.178SC*.  trans-927.2170.657.20000112.2R40 V117R40-T110 PolarHBondContact NH2-O 2.82Å; T110-V117 HydrophobicContact CG2-CG1 4.29Å
111E96.8Very high97Very high51 Ų5129.1 Ų29.124%0.23816%0.164CC..SBendtrans-62.8156.6175.1-72.5167.2-95.900111.8R40 S109 P113 I114 R140 F141 S164R40-E111 PolarHBondContact NH1-O 2.81Å; S109-E111 VanDerWaalsContact C-N 3.31Å; S109-E111 WeakPolarHBondContact OG-CB 3.45Å; S109-E111 VanDerWaalsContact OG-CG 3.31Å; S109-E111 WeakPolarHBondContact OG-CG 3.22Å; S109-E111 PolarHBondContact OG-N 2.96Å; S109-E111 PolarHBondContact OG-OE1 3.19Å; E111-P113 VanDerWaalsContact C-N 3.33Å; E111-I114 PolarHBondContact O-N 2.69Å; E111-R140 IonicContact OE1-CZ 2.72Å; E111-R140 IonicContact OE1-NE 3.59Å; E111-R140 IonicContact OE1-NH2 3.19Å; E111-R140 PolarHBondContact OE1-NH2 2.74Å; E111-R140 IonicContact OE2-NH2 3.66Å; E111-F141 HydrophobicContact CB-CE1 4.36Å; E111-F141 HydrophobicContact CB-CZ 4.34Å; E111-F141 VanDerWaalsContact OE1-CZ 3.3Å; E111-F141 WeakPolarHBondContact OE1-CZ 3.43Å; E111-S164 WeakPolarHBondContact OE2-CB 3.42Å; E111-S164 PolarHBondContact OE2-OG 2.85Å
112S95.7Very high96.3Very high106 Ų10632 Ų3274%0.74118%0.181SC*.THydrogen-bonded Turntrans-57.5-30.1-174.958.90000115.8I114S112-I114 PolarHBondContact O-N 2.81Å
113P96.8Very high95.4Very high31 Ų3134.5 Ų34.520%0.20120%0.202CC..THydrogen-bonded Turntrans-68.3-14.1179.5-2134.3000114.5Q105 E111 F141 F162Q105-P113 WeakPolarHBondContact CB-O 3.46Å; Q105-P113 WeakPolarHBondContact CG-O 3.14Å; Q105-P113 VanDerWaalsContact NE2-CB 3.3Å; Q105-P113 PolarHBondContact NE2-O 3.3Å; E111-P113 VanDerWaalsContact C-N 3.33Å; P113-F141 HydrophobicContact CB-CE1 4.24Å; P113-F141 HydrophobicContact CG-CE1 4.26Å; P113-F162 WeakPolarHBondContact CB-O 3.1Å
114I98.5Very high93.9Very high1 Ų134.6 Ų34.61%0.00521%0.205CC..  trans-86.8123.5179.6-63.5-58.6000110R40 Q105 S109 E111 S112 F116 V117 F141R40-I114 WeakPolarHBondContact CD-O 3.45Å; R40-I114 PolarHBondContact NH1-O 3.22Å; Q105-I114 HydrophobicContact CB-CD1 4.1Å; S109-I114 WeakPolarHBondContact O-CG1 3.23Å; E111-I114 PolarHBondContact O-N 2.69Å; S112-I114 PolarHBondContact O-N 2.81Å; I114-F116 VanDerWaalsContact CG2-O 3.22Å; I114-F116 WeakPolarHBondContact CG2-O 3.37Å; I114-V117 HydrophobicContact CG2-CG2 3.82Å; I114-F141 HydrophobicContact CD1-CB 4.32Å; I114-F141 HydrophobicContact CD1-CD1 3.46Å; I114-F141 VanDerWaalsContact CD1-CD1 3.46Å; I114-F141 HydrophobicContact CD1-CE1 4.16Å; I114-F141 HydrophobicContact CD1-CG 4.24Å; I114-F141 HydrophobicContact CG1-CD1 3.88Å; I114-F141 HydrophobicContact CG1-CE1 4.06Å
115D98.6Very high91.7Very high33 Ų3338.4 Ų38.418%0.17623%0.233CC..SBendtrans-84.7-37.9174.2-63.2-81.5000111.5R40 F45 R50 F104 Q105R40-D115 WeakPolarHBondContact CG-O 3.35Å; F45-D115 HydrophobicContact CE1-CB 4.1Å; F45-D115 HydrophobicContact CE2-CB 4.46Å; F45-D115 HydrophobicContact CZ-CB 3.68Å; R50-D115 IonicContact CZ-OD1 3.15Å; R50-D115 IonicContact NH1-OD1 3.86Å; R50-D115 IonicContact NH2-OD1 2.92Å; R50-D115 PolarHBondContact NH2-OD1 2.89Å; R50-D115 IonicContact NH2-OD2 3.65Å; R50-D115 PolarHBondContact NH2-OD2 3.34Å; F104-D115 VanDerWaalsContact CA-OD2 3.23Å; F104-D115 WeakPolarHBondContact CA-OD2 3.4Å; Q105-D115 PolarHBondContact N-OD2 2.95Å; Q105-D115 PolarHBondContact O-N 2.75Å
116F98.6Very high89.2Confident0 Ų043.5 Ų43.50%026%0.257CS..EExtended strand (participates in β ladder)trans-125.6113.4-178.2-172.7-146.9000112.1L24 V26 R40 K42 F45 Q105 I106 G107 I114 V118 L255L24-F116 HydrophobicContact CB-CD1 4.27Å; L24-F116 HydrophobicContact CB-CE1 4.02Å; L24-F116 HydrophobicContact CD1-CD1 3.93Å; L24-F116 HydrophobicContact CD1-CE1 4.45Å; V26-F116 HydrophobicContact CG2-CE1 4.04Å; V26-F116 HydrophobicContact CG2-CZ 3.58Å; R40-F116 WeakPolarHBondContact O-CD2 3.29Å; K42-F116 HydrophobicContact CB-CE2 4.2Å; K42-F116 WeakPolarHBondContact O-CE2 3.23Å; K42-F116 WeakPolarHBondContact O-CZ 3.38Å; F45-F116 HydrophobicContact CB-CB 4.15Å; F45-F116 HydrophobicContact CB-CD1 3.77Å; F45-F116 HydrophobicContact CB-CD2 3.51Å; F45-F116 HydrophobicContact CB-CE1 3.93Å; F45-F116 HydrophobicContact CB-CE2 3.69Å; F45-F116 HydrophobicContact CB-CG 3.55Å; F45-F116 HydrophobicContact CB-CZ 3.88Å; F45-F116 HydrophobicContact CD1-CB 3.7Å; F45-F116 HydrophobicContact CD1-CD1 4.35Å; F45-F116 HydrophobicContact CD1-CG 4.02Å; F45-F116 HydrophobicContact CD2-CB 4.24Å; F45-F116 HydrophobicContact CD2-CD2 4.26Å; F45-F116 HydrophobicContact CD2-CG 4.39Å; F45-F116 HydrophobicContact CE1-CB 4.16Å; F45-F116 HydrophobicContact CG-CB 3.76Å; F45-F116 HydrophobicContact CG-CD1 4.26Å; F45-F116 AromaticContact CG-CD2 3.91Å; F45-F116 HydrophobicContact CG-CD2 3.91Å; F45-F116 AromaticContact CG-CG 3.74Å; F45-F116 HydrophobicContact CG-CG 3.74Å; Q105-F116 PolarHBondContact O-N 3.07Å; I106-F116 WeakPolarHBondContact CA-O 3.47Å; I106-F116 HydrophobicContact CG1-CB 4.05Å; I106-F116 HydrophobicContact CG1-CD1 4.34Å; I106-F116 HydrophobicContact CG2-CB 4.41Å; I106-F116 HydrophobicContact CG2-CD1 4.07Å; G107-F116 PolarHBondContact N-O 2.85Å; I114-F116 VanDerWaalsContact CG2-O 3.22Å; I114-F116 WeakPolarHBondContact CG2-O 3.37Å; F116-V118 HydrophobicContact CD1-CG2 3.77Å; F116-V118 HydrophobicContact CE1-CG2 3.74Å; F116-V118 HydrophobicContact CG-CG2 4.26Å; F116-V118 HydrophobicContact CZ-CG2 4.2Å; F116-L255 HydrophobicContact CE1-CD1 4.43Å; F116-L255 HydrophobicContact CE1-CD2 4.31Å
117V97.9Very high86.5Confident10 Ų1048 Ų486%0.06129%0.288CS..EExtended strand (participates in β ladder)trans-89.9116.5-177.8-178.10000109.5R40 R41 G107 T110 I114R40-V117 HydrophobicContact CB-CB 4.5Å; R40-V117 HydrophobicContact CB-CG2 3.8Å; R40-V117 PolarHBondContact O-N 3.27Å; R41-V117 HydrophobicContact CB-CB 4.32Å; G107-V117 WeakPolarHBondContact O-CA 3.31Å; T110-V117 HydrophobicContact CG2-CG1 4.29Å; I114-V117 HydrophobicContact CG2-CG2 3.82Å
118V96.1Very high83.5Confident3 Ų352.3 Ų52.32%0.01831%0.311CS..  trans-114.3136.1-179.7-177.10000110I106 G107 R108 F116 I138 A253 L255I106-V118 HydrophobicContact CG2-CG2 3.64Å; G107-V118 PolarHBondContact O-N 2.91Å; R108-V118 VanDerWaalsContact CA-O 3.23Å; R108-V118 WeakPolarHBondContact CA-O 3.24Å; R108-V118 WeakPolarHBondContact CB-O 3.41Å; F116-V118 HydrophobicContact CD1-CG2 3.77Å; F116-V118 HydrophobicContact CE1-CG2 3.74Å; F116-V118 HydrophobicContact CG-CG2 4.26Å; F116-V118 HydrophobicContact CZ-CG2 4.2Å; V118-I138 HydrophobicContact CG1-CD1 4.06Å; V118-A253 HydrophobicContact CG1-CB 3.5Å; V118-A253 VanDerWaalsContact CG1-CB 3.5Å; V118-L255 HydrophobicContact CG1-CD2 4.32Å; V118-L255 HydrophobicContact CG2-CD1 4.44Å; V118-L255 HydrophobicContact CG2-CD2 4.23Å
119T93.5Very high80.7Confident37 Ų3752.5 Ų52.523%0.22733%0.329CS..  trans-116.3158.3174.157.60000109.7R41 T121 I138R41-T119 PolarHBondContact NH2-OG1 3.17Å; R41-T119 VanDerWaalsContact NH2-OG1 3.14Å; T119-T121 PolarHBondContact O-N 3.37Å; T119-I138 VanDerWaalsContact C-CD1 3.47Å
120D92.4Very high77.8Confident43 Ų4358.9 Ų58.923%0.2336%0.362CS..  trans-51.1136.7178.2-55.3-112.3000110.8Y29 V122 S136 T137 G252Y29-D120 PolarHBondContact OH-O 3.17Å; Y29-D120 VanDerWaalsContact OH-O 3.1Å; D120-V122 PolarHBondContact O-N 3.08Å; D120-S136 WeakPolarHBondContact OD2-CA 3.24Å; D120-S136 WeakPolarHBondContact OD2-CB 3.39Å; D120-S136 PolarHBondContact OD2-OG 2.88Å; D120-T137 PolarHBondContact OD1-N 3.27Å; D120-T137 VanDerWaalsContact OD1-N 3.16Å; D120-G252 WeakPolarHBondContact CA-O 3.35Å
121T91.3Very high75.4Confident34 Ų3459.1 Ų59.121%0.20936%0.364CS..  trans-74.2122.3179.5-61.90000109.5Y29 T119 G252 A407Y29-T121 HydrophobicContact CE2-CG2 4.46Å; Y29-T121 WeakPolarHBondContact OH-CA 3.45Å; T119-T121 PolarHBondContact O-N 3.37Å; T121-G252 PolarHBondContact N-O 3.19Å; T121-A407 HydrophobicContact CG2-CB 3.5Å; T121-A407 VanDerWaalsContact CG2-CB 3.5Å
122V84.6Confident72.7Confident76 Ų7664.9 Ų64.946%0.46139%0.391SS..  trans-88.2111.4171.5-178.20000108.1D120D120-V122 PolarHBondContact O-N 3.08Å
123A80.8Confident70.3Confident54 Ų5465.5 Ų65.545%0.44640%0.395SS..SBendtrans-74.9135-177.600000111.8A407A123-A407 HydrophobicContact CB-CB 4.42Å; A123-A407 WeakPolarHBondContact CB-O 3.5Å
124G66.1Low68.6Low11 Ų1170.1 Ų70.111%0.11342%0.422CS..SBendtrans70.3139.9-17400000110.4Q126 C406G124-Q126 PolarHBondContact O-N 2.92Å; G124-C406 PolarHBondContact N-O 3.01Å
125S52.6Low67.5Low86 Ų8678.3 Ų78.360%0.60146%0.461SS*.SBendtrans-66.829.9-17850.50000114.6S127S125-S127 PolarHBondContact O-N 2.67Å
126Q47Very low66.9Low113 Ų11378.2 Ų78.253%0.52846%0.463SS..  trans-73.690.6173-64.9-172.520.300109.4G124 N128G124-Q126 PolarHBondContact O-N 2.92Å; Q126-N128 PolarHBondContact O-N 2.86Å
127S41.8Very low66.7Low93 Ų9381.4 Ų81.465%0.6548%0.482SS*.  trans-72.260.5155.859.70000109.5S125S125-S127 PolarHBondContact O-N 2.67Å
128N36.2Very low66.6Low92 Ų9281.1 Ų81.149%0.49248%0.48SS..  trans-83.1119.4168.3-88.9-21.8000108.1Q126 D130Q126-N128 PolarHBondContact O-N 2.86Å; N128-D130 PolarHBondContact O-N 3.11Å
129S36.7Very low66.6Low113 Ų11382.9 Ų82.979%0.7949%0.493SS*.SBendtrans-60.87.9178.5470000115.4
130D37.4Very low66.8Low143 Ų14387.3 Ų87.377%0.76551%0.505SS*.  trans-116.744.5-178-71.1-22.3000111.8N128 Q132N128-D130 PolarHBondContact O-N 3.11Å; D130-Q132 PolarHBondContact O-N 3.47Å
131T43.8Very low67Low112 Ų11286.6 Ų86.669%0.68750%0.5SS*.  trans-71.590.6161.3510000108S133T131-S133 PolarHBondContact O-N 3.47Å
132Q41.3Very low67.4Low171 Ų17185.1 Ų85.180%0.79949%0.492SS*.  trans-37.8134.6148.2-77.6178.2-11.500107.5D130 V134D130-Q132 PolarHBondContact O-N 3.47Å; Q132-V134 VanDerWaalsContact C-N 3.26Å; Q132-V134 WeakPolarHBondContact O-CG2 3.22Å; Q132-V134 PolarHBondContact O-N 3.46Å
133S44.9Very low68.1Low120 Ų12081.6 Ų81.684%0.83947%0.47SS*.  trans-57.783-172.757.70000111.9T131 Q135T131-S133 PolarHBondContact O-N 3.47Å; S133-Q135 PolarHBondContact O-N 3.2Å; S133-Q135 VanDerWaalsContact O-N 3.13Å
134V59.7Low68.9Low127 Ų12779.2 Ų79.277%0.7745%0.45SS*.  trans-67.9115.2173.2-177.80000105.7Q132 S136Q132-V134 VanDerWaalsContact C-N 3.26Å; Q132-V134 WeakPolarHBondContact O-CG2 3.22Å; Q132-V134 PolarHBondContact O-N 3.46Å; V134-S136 PolarHBondContact O-N 2.8Å; V134-S136 VanDerWaalsContact O-N 3.11Å
135Q76.2Confident70.5Confident174 Ų17478.7 Ų78.781%0.81344%0.444SS*.  trans-64.4114.9177.5-176.5174.4-15.900108.4S133 T137S133-Q135 PolarHBondContact O-N 3.2Å; S133-Q135 VanDerWaalsContact O-N 3.13Å; Q135-T137 PolarHBondContact O-N 3.47Å
136S86.9Confident72.7Confident31 Ų3175.2 Ų75.222%0.21742%0.418CS..  trans-52.2131.1177178.10000111.6R108 D120 V134 I138R108-S136 WeakPolarHBondContact CD-OG 3.23Å; D120-S136 WeakPolarHBondContact OD2-CA 3.24Å; D120-S136 WeakPolarHBondContact OD2-CB 3.39Å; D120-S136 PolarHBondContact OD2-OG 2.88Å; V134-S136 PolarHBondContact O-N 2.8Å; V134-S136 VanDerWaalsContact O-N 3.11Å; S136-I138 PolarHBondContact OG-N 2.84Å
137T92.6Very high75.1Confident67 Ų6769.8 Ų69.841%0.41139%0.393SS..  trans-92.5-8.1176.448.80000112.9D120 Q135 N190 C251D120-T137 PolarHBondContact OD1-N 3.27Å; D120-T137 VanDerWaalsContact OD1-N 3.16Å; Q135-T137 PolarHBondContact O-N 3.47Å; T137-N190 PolarHBondContact O-ND2 3.32Å; T137-N190 VanDerWaalsContact O-ND2 3.08Å; T137-C251 CarbonylContact C-O 3.53Å; T137-C251 WeakPolarHBondContact CB-O 3.43Å; T137-C251 PolarHBondContact OG1-O 3.19Å
138I95.9Very high77.9Confident4 Ų467.8 Ų67.82%0.02137%0.374CS..SBendtrans-70.7134.2175.9-54.7-179000109.7R108 V118 T119 S136 A142 L250 C251 A253R108-I138 HydrophobicContact CB-CB 4.28Å; R108-I138 HydrophobicContact CB-CG2 4.13Å; R108-I138 WeakPolarHBondContact CD-O 3.41Å; R108-I138 PolarHBondContact NE-O 3.33Å; R108-I138 VanDerWaalsContact NE-O 3.12Å; V118-I138 HydrophobicContact CG1-CD1 4.06Å; T119-I138 VanDerWaalsContact C-CD1 3.47Å; S136-I138 PolarHBondContact OG-N 2.84Å; I138-A142 HydrophobicContact CG2-CB 4.43Å; I138-L250 HydrophobicContact CG2-CB 4.35Å; I138-C251 PolarHBondContact N-O 2.83Å; I138-A253 HydrophobicContact CD1-CB 3.75Å
139S96.8Very high80.8Confident40 Ų4065.1 Ų65.128%0.2836%0.356SS..  trans-66.8145175.5-72.20000111.7R108 F141R108-S139 PolarHBondContact N-O 3.02Å; R108-S139 VanDerWaalsContact N-O 3.1Å; S139-F141 VanDerWaalsContact C-N 3.25Å; S139-F141 PolarHBondContact O-N 2.86Å
140R97.3Very high83.7Confident129 Ų12963.5 Ų63.549%0.48734%0.342SS..THydrogen-bonded Turntrans-55.1-43.3176.3-77.6176.168.9174.51.8112G107 R108 S109 E111G107-R140 CarbonylContact C-O 3.48Å; G107-R140 WeakPolarHBondContact CA-O 3.37Å; R108-R140 HydrophobicContact CG-CG 4.37Å; R108-R140 PolarHBondContact N-O 2.66Å; S109-R140 VanDerWaalsContact CB-O 3.29Å; S109-R140 WeakPolarHBondContact CB-O 3.36Å; S109-R140 PolarHBondContact N-O 3.49Å; E111-R140 IonicContact OE1-CZ 2.72Å; E111-R140 IonicContact OE1-NE 3.59Å; E111-R140 IonicContact OE1-NH2 3.19Å; E111-R140 PolarHBondContact OE1-NH2 2.74Å; E111-R140 IonicContact OE2-NH2 3.66Å
141F98.2Very high86.5Confident29 Ų2961 Ų6113%0.12733%0.334CS..THydrogen-bonded Turntrans-126.688.1174.7-48.8-88.3000107.1E111 P113 I114 S139 G161 F162 D163E111-F141 HydrophobicContact CB-CE1 4.36Å; E111-F141 HydrophobicContact CB-CZ 4.34Å; E111-F141 VanDerWaalsContact OE1-CZ 3.3Å; E111-F141 WeakPolarHBondContact OE1-CZ 3.43Å; P113-F141 HydrophobicContact CB-CE1 4.24Å; P113-F141 HydrophobicContact CG-CE1 4.26Å; I114-F141 HydrophobicContact CD1-CB 4.32Å; I114-F141 HydrophobicContact CD1-CD1 3.46Å; I114-F141 VanDerWaalsContact CD1-CD1 3.46Å; I114-F141 HydrophobicContact CD1-CE1 4.16Å; I114-F141 HydrophobicContact CD1-CG 4.24Å; I114-F141 HydrophobicContact CG1-CD1 3.88Å; I114-F141 HydrophobicContact CG1-CE1 4.06Å; S139-F141 VanDerWaalsContact C-N 3.25Å; S139-F141 PolarHBondContact O-N 2.86Å; F141-G161 WeakPolarHBondContact CB-O 3.22Å; F141-G161 PolarHBondContact O-N 2.85Å; F141-F162 WeakPolarHBondContact CD1-O 3.25Å; F141-D163 HydrophobicContact CD2-CB 3.96Å; F141-D163 HydrophobicContact CE1-CB 4.35Å; F141-D163 HydrophobicContact CE2-CB 3.51Å; F141-D163 HydrophobicContact CZ-CB 3.73Å
142A98.5Very high89Confident3 Ų360.7 Ų60.73%0.02533%0.334CS..  trans-83.2-48-162.900000113.3I106 I138 A160 V192 L250I106-A142 WeakPolarHBondContact O-CA 3.46Å; I106-A142 WeakPolarHBondContact O-CB 3.18Å; I106-A142 PolarHBondContact O-N 2.94Å; I138-A142 HydrophobicContact CG2-CB 4.43Å; A142-A160 VanDerWaalsContact O-CA 3.24Å; A142-A160 WeakPolarHBondContact O-CA 3.5Å; A142-A160 PolarHBondContact O-N 3.01Å; A142-V192 VanDerWaalsContact O-CG2 3.28Å; A142-V192 WeakPolarHBondContact O-CG2 3.25Å; A142-L250 HydrophobicContact CB-CD1 4.24Å; A142-L250 HydrophobicContact CB-CD2 4.15Å
143C98.9Very high91.7Very high1 Ų156 Ų561%0.00731%0.309CS..EExtended strand (participates in β ladder)trans-151.8167.2178.768.50000112.1Q105 I106 I157 Y158 A160 V192 L250Q105-C143 WeakPolarHBondContact CA-O 3.41Å; I106-C143 PolarHBondContact N-O 2.81Å; I106-C143 PolarHBondContact O-N 2.9Å; I106-C143 VanDerWaalsContact O-N 3.15Å; C143-I157 HydrophobicContact CB-CD1 4.36Å; C143-I157 HydrophobicContact CB-CG1 4.32Å; C143-Y158 VanDerWaalsContact CA-O 3.3Å; C143-Y158 WeakPolarHBondContact CA-O 3.42Å; C143-Y158 VanDerWaalsContact CB-O 3.28Å; C143-Y158 WeakPolarHBondContact CB-O 3.37Å; C143-A160 CarbonylContact C-O 3.55Å; C143-A160 WeakPolarHBondContact CA-O 3.16Å; C143-V192 HydrophobicContact CB-CG1 4.25Å; C143-V192 HydrophobicContact CB-CG2 4.11Å; C143-L250 HydrophobicContact CB-CD2 4.32Å
144R98.8Very high94.3Very high5 Ų551.7 Ų51.72%0.01928%0.277CS..EExtended strand (participates in β ladder)trans-117.9140.1170.6-68.3160.2-67.8152.65.2109.1M103 F104 Q105 I157 Y158 A159 A160 I168 V215M103-R144 HydrophobicContact CG-CB 4.41Å; M103-R144 HydrophobicContact CG-CG 4.28Å; M103-R144 HydrophobicContact SD-CG 3.93Å; F104-R144 CarbonylContact O-C 3.53Å; F104-R144 WeakPolarHBondContact O-CA 3.35Å; Q105-R144 HydrophobicContact CG-CG 4.1Å; R144-I157 WeakPolarHBondContact O-CA 3.24Å; R144-Y158 PolarHBondContact N-O 2.92Å; R144-Y158 PolarHBondContact O-N 2.87Å; R144-A159 PolarHBondContact NH2-O 2.79Å; R144-A160 WeakPolarHBondContact CG-O 3.39Å; R144-A160 PolarHBondContact N-O 2.86Å; R144-A160 PolarHBondContact NE-O 2.96Å; R144-I168 VanDerWaalsContact CZ-CD1 3.46Å; R144-V215 PolarHBondContact NH2-O 3.1Å
145I98.9Very high96.1Very high0 Ų045.8 Ų45.80%024%0.242CC..EExtended strand (participates in β ladder)trans-112.4120.8164.9-66.1176.2000107.9L24 L47 F104 I106 A155 R156 L242 I248L24-I145 HydrophobicContact CD1-CD1 3.82Å; L24-I145 HydrophobicContact CD2-CD1 3.77Å; L24-I145 HydrophobicContact CG-CD1 4.14Å; L47-I145 HydrophobicContact CD2-CB 4.21Å; L47-I145 HydrophobicContact CD2-CG2 3.79Å; F104-I145 PolarHBondContact N-O 3.39Å; F104-I145 PolarHBondContact O-N 2.94Å; I106-I145 HydrophobicContact CD1-CB 4.49Å; I106-I145 HydrophobicContact CD1-CD1 3.97Å; I106-I145 HydrophobicContact CD1-CG1 3.99Å; I145-A155 HydrophobicContact CG2-CB 4.18Å; I145-R156 CarbonylContact C-O 3.44Å; I145-R156 WeakPolarHBondContact CA-O 3.37Å; I145-L242 HydrophobicContact CD1-CD1 3.87Å; I145-L242 HydrophobicContact CG1-CD1 4.1Å; I145-L242 HydrophobicContact CG2-CD1 4.34Å; I145-I248 HydrophobicContact CD1-CD1 4.41Å
146M98.8Very high97.2Very high12 Ų1239.8 Ų39.86%0.05921%0.212CC..EExtended strand (participates in β ladder)trans-104.9115.9179.2-55.7-61.8-68.800108.6D102 M103 A155 R156 Y158D102-M146 CarbonylContact O-C 3.44Å; D102-M146 WeakPolarHBondContact O-CA 3.28Å; M103-M146 HydrophobicContact CB-CE 3.95Å; M103-M146 HydrophobicContact CB-SD 3.46Å; M103-M146 WeakPolarHBondContact CB-SD 3.46Å; M103-M146 HydrophobicContact CG-CE 4.43Å; M103-M146 HydrophobicContact CG-SD 3.43Å; M103-M146 WeakPolarHBondContact CG-SD 3.37Å; M103-M146 HydrophobicContact SD-SD 3.9Å; M146-A155 CarbonylContact O-C 3.57Å; M146-A155 WeakPolarHBondContact O-CA 3.44Å; M146-R156 PolarHBondContact N-O 3.06Å; M146-R156 PolarHBondContact O-N 3.45Å; M146-Y158 HydrophobicContact CB-CD2 4.37Å; M146-Y158 HydrophobicContact CB-CE2 3.87Å; M146-Y158 HydrophobicContact CG-CD2 3.59Å; M146-Y158 HydrophobicContact CG-CE2 3.44Å; M146-Y158 VanDerWaalsContact CG-CE2 3.44Å
147C98.8Very high97.8Very high0 Ų038.3 Ų38.30%020%0.202CC..EExtended strand (participates in β ladder)trans-105.1131.9178.7-59.70000109.9Y21 T101 D102 T154Y21-C147 HydrophobicContact CD1-CB 3.95Å; Y21-C147 HydrophobicContact CD2-CB 3.43Å; Y21-C147 VanDerWaalsContact CD2-CB 3.43Å; Y21-C147 HydrophobicContact CE1-CB 4.08Å; Y21-C147 HydrophobicContact CE2-CB 3.56Å; Y21-C147 HydrophobicContact CG-CB 3.62Å; T101-C147 CarbonylContact C-O 3.56Å; T101-C147 VanDerWaalsContact CA-O 3.23Å; T101-C147 WeakPolarHBondContact CA-O 3.28Å; D102-C147 PolarHBondContact N-O 3.15Å; D102-C147 PolarHBondContact O-N 2.8Å; C147-T154 WeakPolarHBondContact CA-O 3.25Å
148Q98.6Very high98.1Very high51 Ų5137.3 Ų37.324%0.23819%0.191CC..EExtended strand (participates in β ladder)trans-65.3136.5170-70.8178.6-25.600110.2Y21 T150 Y153 T154Y21-Q148 VanDerWaalsContact CE1-O 3.27Å; Y21-Q148 WeakPolarHBondContact CE1-O 3.3Å; Q148-T150 VanDerWaalsContact C-N 3.28Å; Q148-T150 PolarHBondContact O-N 3.15Å; Q148-Y153 WeakPolarHBondContact O-CA 3.46Å; Q148-Y153 WeakPolarHBondContact O-CD1 3.22Å; Q148-T154 PolarHBondContact N-O 2.95Å; Q148-T154 PolarHBondContact OE1-OG1 3.04Å
149R98.3Very high98.2Very high35 Ų3537.1 Ų37.113%0.13219%0.19CC..SBendtrans-81.8-7.7-178.7-69.4174.761.978.3-0.3113.4Y21 K49 R50 S99 N100 D102 Y153Y21-R149 WeakPolarHBondContact OH-CG 3.45Å; K49-R149 PolarHBondContact NZ-O 2.81Å; R50-R149 PolarHBondContact O-NH1 3.38Å; R50-R149 PolarHBondContact O-NH2 2.91Å; S99-R149 WeakPolarHBondContact O-CD 3.44Å; N100-R149 WeakPolarHBondContact O-CB 3.4Å; N100-R149 WeakPolarHBondContact O-CG 3.39Å; N100-R149 PolarHBondContact O-N 2.69Å; D102-R149 WeakPolarHBondContact OD1-CD 3.34Å; D102-R149 IonicContact OD1-CZ 3.17Å; D102-R149 IonicContact OD1-NE 3.85Å; D102-R149 IonicContact OD1-NH1 3.49Å; D102-R149 PolarHBondContact OD1-NH1 2.86Å; D102-R149 IonicContact OD2-NH1 2.7Å; D102-R149 PolarHBondContact OD2-NH1 2.81Å; R149-Y153 WeakPolarHBondContact O-CE1 3.35Å
150T97.4Very high98.3Very high79 Ų7935.6 Ų35.649%0.48518%0.179SC..SBendtrans-115.9151.5177.753.20000110.2Q148 Y153Q148-T150 VanDerWaalsContact C-N 3.28Å; Q148-T150 PolarHBondContact O-N 3.15Å; T150-Y153 VanDerWaalsContact C-CE1 3.45Å; T150-Y153 WeakPolarHBondContact O-CA 3.4Å; T150-Y153 WeakPolarHBondContact O-CD1 3.22Å; T150-Y153 PolarHBondContact O-N 3.12Å
151P96.4Very high98.3Very high92 Ų9229.7 Ų29.760%0.59716%0.159SC*.THydrogen-bonded Turntrans-49.6142171.7-25.433.3000111.7Y153P151-Y153 VanDerWaalsContact C-N 3.27Å; P151-Y153 HydrophobicContact CB-CE2 4.18Å; P151-Y153 HydrophobicContact CG-CE1 4.23Å; P151-Y153 HydrophobicContact CG-CE2 3.8Å
152P96.5Very high98.3Very high105 Ų10528.4 Ų28.468%0.68215%0.153SC*.THydrogen-bonded Turncis-83.512.96.235.5-36.5000114.4T154P152-T154 VanDerWaalsContact C-N 3.35Å; P152-T154 PolarHBondContact O-N 2.89Å
153Y97.8Very high98.2Very high73 Ų7330.3 Ų30.329%0.28616%0.163SC..  trans62.935.6179.5-46.9-72.3000114.3V19 Y21 Q148 R149 T150 P151 A155V19-Y153 HydrophobicContact CG1-CD1 4.36Å; V19-Y153 HydrophobicContact CG1-CD2 4.43Å; V19-Y153 HydrophobicContact CG1-CE1 4.03Å; V19-Y153 HydrophobicContact CG1-CE2 4.11Å; Y21-Y153 HydrophobicContact CD1-CD1 4.32Å; Y21-Y153 HydrophobicContact CD1-CG 4.29Å; Y21-Y153 AromaticContact CE1-CD1 3.84Å; Y21-Y153 HydrophobicContact CE1-CD1 3.84Å; Y21-Y153 HydrophobicContact CE1-CG 4.26Å; Q148-Y153 WeakPolarHBondContact O-CA 3.46Å; Q148-Y153 WeakPolarHBondContact O-CD1 3.22Å; R149-Y153 WeakPolarHBondContact O-CE1 3.35Å; T150-Y153 VanDerWaalsContact C-CE1 3.45Å; T150-Y153 WeakPolarHBondContact O-CA 3.4Å; T150-Y153 WeakPolarHBondContact O-CD1 3.22Å; T150-Y153 PolarHBondContact O-N 3.12Å; P151-Y153 VanDerWaalsContact C-N 3.27Å; P151-Y153 HydrophobicContact CB-CE2 4.18Å; P151-Y153 HydrophobicContact CG-CE1 4.23Å; P151-Y153 HydrophobicContact CG-CE2 3.8Å; Y153-A155 PolarHBondContact O-N 3.19Å
154T98.4Very high98Very high28 Ų2833.4 Ų33.417%0.17218%0.184CC..  trans-50.7131.2-179.5-55.40000111.8C147 Q148 P152 R156 E241C147-T154 WeakPolarHBondContact CA-O 3.25Å; Q148-T154 PolarHBondContact N-O 2.95Å; Q148-T154 PolarHBondContact OE1-OG1 3.04Å; P152-T154 VanDerWaalsContact C-N 3.35Å; P152-T154 PolarHBondContact O-N 2.89Å; T154-R156 HydrophobicContact CG2-CG 4.38Å; T154-E241 HydrophobicContact CG2-CB 4.24Å; T154-E241 HydrophobicContact CG2-CG 3.81Å
155A98.8Very high97.7Very high4 Ų437.3 Ų37.33%0.03321%0.213CC..EExtended strand (participates in β ladder)trans-99.5132.3173.700000110.1I145 M146 Y153 L242 W257I145-A155 HydrophobicContact CG2-CB 4.18Å; M146-A155 CarbonylContact O-C 3.57Å; M146-A155 WeakPolarHBondContact O-CA 3.44Å; Y153-A155 PolarHBondContact O-N 3.19Å; A155-L242 HydrophobicContact CB-CB 4.36Å; A155-L242 PolarHBondContact O-N 2.92Å; A155-W257 HydrophobicContact CB-CH2 3.99Å; A155-W257 HydrophobicContact CB-CZ2 3.55Å
156R98.8Very high97.6Very high47 Ų4740.4 Ų40.418%0.17723%0.226CC..EExtended strand (participates in β ladder)trans-124.7138.1179.1-73.5-177.2-16990.41.7110.5I145 M146 T154 Y158 Q240 E241I145-R156 CarbonylContact C-O 3.44Å; I145-R156 WeakPolarHBondContact CA-O 3.37Å; M146-R156 PolarHBondContact N-O 3.06Å; M146-R156 PolarHBondContact O-N 3.45Å; T154-R156 HydrophobicContact CG2-CG 4.38Å; R156-Y158 HydrophobicContact CB-CE2 3.7Å; R156-Q240 WeakPolarHBondContact CA-O 3.37Å; R156-Q240 HydrophobicContact CB-CG 4.01Å; R156-Q240 HydrophobicContact CG-CG 4.24Å; R156-E241 HydrophobicContact CG-CG 3.8Å; R156-E241 IonicContact CZ-OE1 2.72Å; R156-E241 VanDerWaalsContact CZ-OE1 3.26Å; R156-E241 IonicContact NE-OE1 3.61Å; R156-E241 PolarHBondContact NE-OE1 3.48Å; R156-E241 VanDerWaalsContact NE-OE1 3.11Å; R156-E241 IonicContact NH2-OE1 3.98Å; R156-E241 PolarHBondContact NH2-OE1 3.14Å
157I98.9Very high97.4Very high0 Ų041 Ų410%023%0.23CC..EExtended strand (participates in β ladder)trans-101.8143.5178.6-173.4169000111.7C143 R144 V192 V194 I213 Q240 L242 I248C143-I157 HydrophobicContact CB-CD1 4.36Å; C143-I157 HydrophobicContact CB-CG1 4.32Å; R144-I157 WeakPolarHBondContact O-CA 3.24Å; I157-V192 HydrophobicContact CD1-CG1 3.92Å; I157-V194 HydrophobicContact CD1-CG2 4.02Å; I157-V194 HydrophobicContact CG2-CG2 3.92Å; I157-I213 HydrophobicContact CG2-CG1 4.18Å; I157-I213 HydrophobicContact CG2-CG2 4.43Å; I157-I213 WeakPolarHBondContact O-CG2 3.32Å; I157-Q240 HydrophobicContact CG2-CB 4.37Å; I157-Q240 PolarHBondContact N-O 3Å; I157-Q240 WeakPolarHBondContact O-CB 3.2Å; I157-Q240 WeakPolarHBondContact O-CG 3.34Å; I157-L242 HydrophobicContact CB-CD1 4.21Å; I157-L242 HydrophobicContact CB-CD2 4.18Å; I157-L242 HydrophobicContact CB-CG 4.17Å; I157-L242 HydrophobicContact CG2-CD2 3.84Å; I157-L242 HydrophobicContact CG2-CG 4.17Å; I157-I248 HydrophobicContact CD1-CB 4.35Å; I157-I248 HydrophobicContact CD1-CD1 3.86Å; I157-I248 HydrophobicContact CD1-CG1 3.87Å; I157-I248 HydrophobicContact CD1-CG2 3.52Å
158Y98.9Very high97.3Very high47 Ų4741.2 Ų41.218%0.18423%0.231CC..EExtended strand (participates in β ladder)trans-134.7140.4175.9-59.6-100.4000109C143 R144 M146 R156 C216 Q240C143-Y158 VanDerWaalsContact CA-O 3.3Å; C143-Y158 WeakPolarHBondContact CA-O 3.42Å; C143-Y158 VanDerWaalsContact CB-O 3.28Å; C143-Y158 WeakPolarHBondContact CB-O 3.37Å; R144-Y158 PolarHBondContact N-O 2.92Å; R144-Y158 PolarHBondContact O-N 2.87Å; M146-Y158 HydrophobicContact CB-CD2 4.37Å; M146-Y158 HydrophobicContact CB-CE2 3.87Å; M146-Y158 HydrophobicContact CG-CD2 3.59Å; M146-Y158 HydrophobicContact CG-CE2 3.44Å; M146-Y158 VanDerWaalsContact CG-CE2 3.44Å; R156-Y158 HydrophobicContact CB-CE2 3.7Å; Y158-C216 WeakPolarHBondContact CE1-O 3.3Å; Y158-Q240 PolarHBondContact OH-NE2 3.31Å
159A98.8Very high97.1Very high0 Ų044.7 Ų44.70%025%0.245CC..EExtended strand (participates in β ladder)trans-70.4155.417400000111.6R144 T188 V192 I213 S214 V215R144-A159 PolarHBondContact NH2-O 2.79Å; A159-T188 HydrophobicContact CB-CG2 4.06Å; A159-V192 HydrophobicContact CB-CB 4.08Å; A159-V192 HydrophobicContact CB-CG2 3.9Å; A159-I213 VanDerWaalsContact CB-O 3.22Å; A159-I213 WeakPolarHBondContact CB-O 3.46Å; A159-S214 PolarHBondContact N-O 2.91Å; A159-V215 HydrophobicContact CB-CG2 4.27Å
160A98.6Very high96.9Very high7 Ų743.3 Ų43.36%0.05824%0.24CC..  trans62.3158.3-171.600000114.6A142 C143 R144 I168 T188 V215A142-A160 VanDerWaalsContact O-CA 3.24Å; A142-A160 WeakPolarHBondContact O-CA 3.5Å; A142-A160 PolarHBondContact O-N 3.01Å; C143-A160 CarbonylContact C-O 3.55Å; C143-A160 WeakPolarHBondContact CA-O 3.16Å; R144-A160 WeakPolarHBondContact CG-O 3.39Å; R144-A160 PolarHBondContact N-O 2.86Å; R144-A160 PolarHBondContact NE-O 2.96Å; A160-I168 HydrophobicContact CB-CB 4.49Å; A160-I168 HydrophobicContact CB-CD1 3.99Å; A160-I168 HydrophobicContact CB-CG1 4.07Å; A160-I168 HydrophobicContact CB-CG2 3.58Å; A160-T188 HydrophobicContact CB-CG2 3.68Å; A160-V215 HydrophobicContact CB-CG2 4.16Å
161G98.1Very high96.6Very high5 Ų540.4 Ų40.45%0.05223%0.226CC..  trans-126.8154.9165.200000110.9F141 I168F141-G161 WeakPolarHBondContact CB-O 3.22Å; F141-G161 PolarHBondContact O-N 2.85Å; G161-I168 WeakPolarHBondContact O-CG1 3.49Å
162F97.9Very high96Very high2 Ų240.9 Ų40.91%0.00922%0.221CC..  trans-68.1133.3174.6-59.1-76.8000110.4V56 H79 S80 I81 Y95 M103 Q105 P113 F141 K166 I168V56-F162 HydrophobicContact CG2-CE2 3.69Å; V56-F162 HydrophobicContact CG2-CZ 4Å; H79-F162 HydrophobicContact CB-CD1 4.03Å; H79-F162 HydrophobicContact CB-CE1 3.76Å; H79-F162 HydrophobicContact CB-CE2 4.38Å; H79-F162 HydrophobicContact CB-CG 4.46Å; H79-F162 HydrophobicContact CB-CZ 3.95Å; H79-F162 AromaticContact CD2-CD1 3.86Å; H79-F162 AromaticContact CD2-CD2 3.58Å; H79-F162 AromaticContact CD2-CG 3.46Å; H79-F162 VanDerWaalsContact CD2-CG 3.46Å; H79-F162 WeakPolarHBondContact CD2-CG 3.22Å; S80-F162 WeakPolarHBondContact O-CE1 3.29Å; I81-F162 HydrophobicContact CG1-CE1 4Å; Y95-F162 HydrophobicContact CD1-CZ 4.21Å; Y95-F162 HydrophobicContact CG-CZ 4.22Å; M103-F162 HydrophobicContact CE-CD2 3.82Å; M103-F162 HydrophobicContact CE-CE2 4.15Å; M103-F162 HydrophobicContact SD-CD2 3.8Å; M103-F162 HydrophobicContact SD-CE2 3.75Å; Q105-F162 PolarHBondContact NE2-O 3Å; P113-F162 WeakPolarHBondContact CB-O 3.1Å; F141-F162 WeakPolarHBondContact CD1-O 3.25Å; F162-K166 WeakPolarHBondContact CD1-O 3.39Å; F162-I168 HydrophobicContact CD1-CB 4.5Å; F162-I168 HydrophobicContact CD1-CD1 3.83Å; F162-I168 HydrophobicContact CD1-CG1 3.68Å; F162-I168 HydrophobicContact CD2-CD1 4.44Å; F162-I168 HydrophobicContact CE1-CD1 3.74Å; F162-I168 HydrophobicContact CE1-CG1 4.01Å; F162-I168 HydrophobicContact CE2-CD1 4.36Å; F162-I168 HydrophobicContact CG-CD1 4.19Å; F162-I168 HydrophobicContact CG-CG1 4.13Å; F162-I168 HydrophobicContact CZ-CD1 4.03Å
163D96.2Very high95.4Very high44 Ų4444 Ų4424%0.23522%0.223CC..  trans-76.2-174.7176.368.913.8000112.6F141 S165 K166 N167F141-D163 HydrophobicContact CD2-CB 3.96Å; F141-D163 HydrophobicContact CE1-CB 4.35Å; F141-D163 HydrophobicContact CE2-CB 3.51Å; F141-D163 HydrophobicContact CZ-CB 3.73Å; D163-S165 PolarHBondContact O-N 3.26Å; D163-S165 VanDerWaalsContact O-N 3.14Å; D163-S165 VanDerWaalsContact OD1-C 3.3Å; D163-S165 VanDerWaalsContact OD1-CA 3.22Å; D163-S165 WeakPolarHBondContact OD1-CA 3.45Å; D163-S165 VanDerWaalsContact OD1-CB 3.25Å; D163-S165 WeakPolarHBondContact OD1-CB 3.44Å; D163-S165 PolarHBondContact OD1-N 3.25Å; D163-K166 WeakPolarHBondContact O-CA 3.34Å; D163-K166 PolarHBondContact O-N 3.14Å; D163-K166 PolarHBondContact OD1-N 3.29Å; D163-N167 PolarHBondContact N-O 3.12Å; D163-N167 PolarHBondContact OD1-N 2.58Å
164S94.6Very high95.1Very high65 Ų6540.9 Ų40.946%0.45521%0.213SC..THydrogen-bonded Turntrans-64.3-14.3177.5-61.70000113.6E111 K166E111-S164 WeakPolarHBondContact OE2-CB 3.42Å; E111-S164 PolarHBondContact OE2-OG 2.85Å; S164-K166 VanDerWaalsContact C-N 3.3Å
165S92.8Very high94.9Very high87 Ų8740.1 Ų40.161%0.60821%0.21SC*.THydrogen-bonded Turntrans-93.412171.1-50.50000112.1D163 N167D163-S165 PolarHBondContact O-N 3.26Å; D163-S165 VanDerWaalsContact O-N 3.14Å; D163-S165 VanDerWaalsContact OD1-C 3.3Å; D163-S165 VanDerWaalsContact OD1-CA 3.22Å; D163-S165 WeakPolarHBondContact OD1-CA 3.45Å; D163-S165 VanDerWaalsContact OD1-CB 3.25Å; D163-S165 WeakPolarHBondContact OD1-CB 3.44Å; D163-S165 PolarHBondContact OD1-N 3.25Å; S165-N167 PolarHBondContact O-N 3.24Å
166K95.4Very high94.6Very high65 Ų6541.8 Ų41.828%0.28322%0.216SC..SBendtrans59.125.1-175.9-57176.8-176.2161.80113.6K76 D77 H79 S80 F162 D163 S164K76-K166 PolarHBondContact O-NZ 3.17Å; D77-K166 PolarHBondContact O-NZ 2.83Å; H79-K166 CarbonylContact C-O 3.56Å; H79-K166 WeakPolarHBondContact CA-O 3.44Å; H79-K166 HydrophobicContact CB-CB 4.46Å; S80-K166 PolarHBondContact N-O 2.86Å; F162-K166 WeakPolarHBondContact CD1-O 3.39Å; D163-K166 WeakPolarHBondContact O-CA 3.34Å; D163-K166 PolarHBondContact O-N 3.14Å; D163-K166 PolarHBondContact OD1-N 3.29Å; S164-K166 VanDerWaalsContact C-N 3.3Å
167N95.7Very high94.4Very high25 Ų2541 Ų4113%0.13421%0.213CC..EExtended strand (participates in β ladder)trans-118143.7-175.2174.367.4000112.3S80 S82 D163 S165S80-N167 CarbonylContact O-C 3.44Å; S80-N167 VanDerWaalsContact O-CA 3.29Å; S80-N167 WeakPolarHBondContact O-CA 3.43Å; S80-N167 PolarHBondContact O-OD1 3.41Å; S80-N167 PolarHBondContact OG-OD1 3.32Å; S82-N167 PolarHBondContact OG-OD1 3.41Å; D163-N167 PolarHBondContact N-O 3.12Å; D163-N167 PolarHBondContact OD1-N 2.58Å; S165-N167 PolarHBondContact O-N 3.24Å
168I97.1Very high94.1Very high5 Ų548.1 Ų48.13%0.02624%0.244CC..EExtended strand (participates in β ladder)trans-102.3123.3162.6-68.7164.4000107.8S80 I81 S82 R144 A160 G161 F162 L170 V215S80-I168 PolarHBondContact O-N 2.81Å; I81-I168 WeakPolarHBondContact CA-O 3.3Å; I81-I168 HydrophobicContact CB-CB 4.39Å; I81-I168 HydrophobicContact CD1-CB 4.49Å; I81-I168 HydrophobicContact CD1-CD1 3.89Å; I81-I168 HydrophobicContact CG1-CB 4.05Å; I81-I168 HydrophobicContact CG1-CD1 4.12Å; I81-I168 HydrophobicContact CG2-CB 4.06Å; I81-I168 HydrophobicContact CG2-CG2 4.03Å; S82-I168 PolarHBondContact N-O 3.49Å; R144-I168 VanDerWaalsContact CZ-CD1 3.46Å; A160-I168 HydrophobicContact CB-CB 4.49Å; A160-I168 HydrophobicContact CB-CD1 3.99Å; A160-I168 HydrophobicContact CB-CG1 4.07Å; A160-I168 HydrophobicContact CB-CG2 3.58Å; G161-I168 WeakPolarHBondContact O-CG1 3.49Å; F162-I168 HydrophobicContact CD1-CB 4.5Å; F162-I168 HydrophobicContact CD1-CD1 3.83Å; F162-I168 HydrophobicContact CD1-CG1 3.68Å; F162-I168 HydrophobicContact CD2-CD1 4.44Å; F162-I168 HydrophobicContact CE1-CD1 3.74Å; F162-I168 HydrophobicContact CE1-CG1 4.01Å; F162-I168 HydrophobicContact CE2-CD1 4.36Å; F162-I168 HydrophobicContact CG-CD1 4.19Å; F162-I168 HydrophobicContact CG-CG1 4.13Å; F162-I168 HydrophobicContact CZ-CD1 4.03Å; I168-L170 HydrophobicContact CG2-CG 4.47Å; I168-V215 HydrophobicContact CD1-CG1 4.36Å; I168-V215 HydrophobicContact CG2-CG1 4.25Å
169F94.3Very high93.7Very high124 Ų12447.1 Ų47.154%0.54424%0.243SC..EExtended strand (participates in β ladder)trans-105118.1178.8-179.2-102.2000112T84 G171T84-F169 VanDerWaalsContact OG1-CE2 3.27Å; T84-F169 WeakPolarHBondContact OG1-CE2 3.23Å; F169-G171 VanDerWaalsContact CE1-CA 3.46Å
170L94.6Very high93Very high5 Ų553.7 Ų53.73%0.02629%0.289CS..EExtended strand (participates in β ladder)trans-107.799.3170.6-66.9169.2000109I81 S82 Y83 T84 I168 A174 V215I81-L170 HydrophobicContact CG2-CD1 4.3Å; S82-L170 PolarHBondContact O-N 3.38Å; Y83-L170 HydrophobicContact CD1-CB 4.46Å; Y83-L170 HydrophobicContact CD1-CD1 3.5Å; Y83-L170 HydrophobicContact CE1-CD1 3.31Å; T84-L170 PolarHBondContact N-O 2.74Å; I168-L170 HydrophobicContact CG2-CG 4.47Å; L170-A174 HydrophobicContact CB-CB 4.05Å; L170-A174 HydrophobicContact CD2-CB 3.96Å; L170-V215 HydrophobicContact CD1-CB 4.44Å; L170-V215 HydrophobicContact CD1-CG2 4.09Å; L170-V215 HydrophobicContact CD2-CG2 4.18Å
171G89.3Confident92.3Very high19 Ų1958.2 Ų58.220%0.19631%0.312CS..  trans-70.2179.4-179.200000113.8F169 K173 A174 K176F169-G171 VanDerWaalsContact CE1-CA 3.46Å; G171-K173 PolarHBondContact O-N 3.13Å; G171-K173 VanDerWaalsContact O-N 3.16Å; G171-A174 WeakPolarHBondContact O-CB 3.37Å; G171-A174 PolarHBondContact O-N 3.01Å; G171-K176 PolarHBondContact O-NZ 2.86Å
172E83.9Confident91.6Very high102 Ų10260.4 Ų60.448%0.47733%0.334SS..THydrogen-bonded Turntrans-54.5-38.2-176.7-65.7179.7-177.600112.7T84 R87 A174 K176T84-E172 HydrophobicContact CG2-CG 3.95Å; R87-E172 WeakPolarHBondContact CG-OE1 3.26Å; R87-E172 PolarHBondContact N-OE1 3.01Å; E172-A174 VanDerWaalsContact C-N 3.3Å; E172-A174 PolarHBondContact O-N 2.55Å; E172-K176 PolarHBondContact O-NZ 3.02Å
173K85.4Confident91.3Very high169 Ų16965.2 Ų65.274%0.73536%0.357SS*.THydrogen-bonded Turntrans-83.212.5178.5-56.5-174.4179.3-176.40115.2G171 Q229G171-K173 PolarHBondContact O-N 3.13Å; G171-K173 VanDerWaalsContact O-N 3.16Å; K173-Q229 PolarHBondContact O-NE2 2.83Å; K173-Q229 PolarHBondContact O-OE1 3.46Å
174A90.6Very high91.2Very high8 Ų863.8 Ų63.87%0.06635%0.349CS..SBendtrans-93.4139.8171.600000109.7L170 G171 E172 K176L170-A174 HydrophobicContact CB-CB 4.05Å; L170-A174 HydrophobicContact CD2-CB 3.96Å; G171-A174 WeakPolarHBondContact O-CB 3.37Å; G171-A174 PolarHBondContact O-N 3.01Å; E172-A174 VanDerWaalsContact C-N 3.3Å; E172-A174 PolarHBondContact O-N 2.55Å; A174-K176 PolarHBondContact O-N 2.79Å; A174-K176 PolarHBondContact O-NZ 3.34Å
175A93.5Very high91.4Very high13 Ų1360.7 Ų60.711%0.10733%0.328CS..  trans-64.6125.9170.200000108.9W177 G186 L187 Q229A175-W177 HydrophobicContact CB-CZ3 4.19Å; A175-G186 CarbonylContact O-C 3.55Å; A175-G186 WeakPolarHBondContact O-CA 3.34Å; A175-L187 HydrophobicContact CB-CB 4.24Å; A175-L187 HydrophobicContact CB-CD1 4.21Å; A175-L187 HydrophobicContact CB-CG 4.32Å; A175-L187 PolarHBondContact O-N 3.22Å; A175-Q229 WeakPolarHBondContact CB-O 3.3Å
176K94.3Very high91.6Very high39 Ų3956.6 Ų56.617%0.1730%0.299CS..EExtended strand (participates in β ladder)trans-153.3145.3-17956.5-162.7160.8-71.20110.8Y83 T84 L85 G171 E172 A174 M184 D185Y83-K176 HydrophobicContact CD1-CB 4.27Å; T84-K176 WeakPolarHBondContact O-CE 3.5Å; L85-K176 HydrophobicContact CD2-CD 3.94Å; L85-K176 HydrophobicContact CD2-CG 4Å; G171-K176 PolarHBondContact O-NZ 2.86Å; E172-K176 PolarHBondContact O-NZ 3.02Å; A174-K176 PolarHBondContact O-N 2.79Å; A174-K176 PolarHBondContact O-NZ 3.34Å; K176-M184 HydrophobicContact CB-CE 4.42Å; K176-D185 VanDerWaalsContact CA-O 3.26Å; K176-D185 WeakPolarHBondContact CA-O 3.42Å; K176-D185 WeakPolarHBondContact CB-O 3.23Å
177W94.3Very high91.7Very high29 Ų2953.5 Ų53.511%0.1129%0.285CS..EExtended strand (participates in β ladder)trans-154164.1-172.958.290.7000110A175 M184 D185 L187 F220 R231A175-W177 HydrophobicContact CB-CZ3 4.19Å; W177-M184 WeakPolarHBondContact O-CE 3.44Å; W177-D185 HydrophobicContact CZ2-CB 3.93Å; W177-D185 PolarHBondContact N-O 2.88Å; W177-D185 PolarHBondContact O-N 2.83Å; W177-L187 HydrophobicContact CH2-CD1 4.38Å; W177-L187 HydrophobicContact CH2-CD2 3.87Å; W177-L187 HydrophobicContact CH2-CG 3.72Å; W177-L187 HydrophobicContact CZ3-CD1 4.37Å; W177-L187 HydrophobicContact CZ3-CG 3.87Å; W177-F220 HydrophobicContact CH2-CE1 4.43Å; W177-F220 AromaticContact CH2-CE2 3.95Å; W177-F220 HydrophobicContact CH2-CE2 3.95Å; W177-F220 AromaticContact CH2-CZ 3.83Å; W177-F220 HydrophobicContact CH2-CZ 3.83Å; W177-F220 HydrophobicContact CZ2-CE1 4.11Å; W177-F220 AromaticContact CZ2-CE2 3.62Å; W177-F220 HydrophobicContact CZ2-CE2 3.62Å; W177-F220 AromaticContact CZ2-CZ 3.26Å; W177-F220 HydrophobicContact CZ2-CZ 3.26Å; W177-R231 HydrophobicContact CZ3-CB 4.32Å
178K92.6Very high91.7Very high150 Ų15053 Ų5365%0.65228%0.283SS*.EExtended strand (participates in β ladder)trans-85.7131.5161.9-71.8-177.4178.3-176.20109.2Q183 M184K178-Q183 CarbonylContact C-O 3.56Å; K178-Q183 VanDerWaalsContact CA-O 3.23Å; K178-Q183 WeakPolarHBondContact CA-O 3.46Å; K178-M184 HydrophobicContact CG-SD 3.48Å; K178-M184 WeakPolarHBondContact CG-SD 3.34Å
179T89.3Confident91.5Very high27 Ų2756.6 Ų56.617%0.16631%0.306CS..  trans-74.6168.8172.245.70000110.5D181 G182 Q183 D185T179-D181 WeakPolarHBondContact CB-OD1 3.5Å; T179-D181 PolarHBondContact O-N 2.94Å; T179-D181 PolarHBondContact OG1-OD1 3.32Å; T179-G182 WeakPolarHBondContact O-CA 3.46Å; T179-G182 PolarHBondContact O-N 2.62Å; T179-Q183 PolarHBondContact N-O 3.44Å; T179-Q183 WeakPolarHBondContact OG1-CA 3.41Å; T179-Q183 WeakPolarHBondContact OG1-CB 3.36Å; T179-Q183 PolarHBondContact OG1-N 3.02Å; T179-Q183 PolarHBondContact OG1-O 3.24Å; T179-D185 HydrophobicContact CG2-CB 3.97Å
180S85.1Confident91.5Very high137 Ų13752.4 Ų52.496%0.95829%0.289SS*.THydrogen-bonded Turntrans-62-29.1-178450000113.2G182S180-G182 PolarHBondContact O-N 3.05Å
181D84.3Confident91.6Very high103 Ų10352.3 Ų52.355%0.55129%0.289SS*.THydrogen-bonded Turntrans-82.94.7173.468.2-20.9000113.4T179 Q183T179-D181 WeakPolarHBondContact CB-OD1 3.5Å; T179-D181 PolarHBondContact O-N 2.94Å; T179-D181 PolarHBondContact OG1-OD1 3.32Å; D181-Q183 VanDerWaalsContact C-N 3.33Å; D181-Q183 PolarHBondContact O-N 2.8Å; D181-Q183 PolarHBondContact OD1-N 3.08Å; D181-Q183 WeakPolarHBondContact OD2-CG 3.35Å; D181-Q183 PolarHBondContact OD2-NE2 3.33Å
182G83.7Confident92Very high50 Ų5051.6 Ų51.652%0.51528%0.281SS..SBendtrans831.1176.400000115.2T179 S180T179-G182 WeakPolarHBondContact O-CA 3.46Å; T179-G182 PolarHBondContact O-N 2.62Å; S180-G182 PolarHBondContact O-N 3.05Å
183Q90.3Very high92.7Very high103 Ų10347 Ų4748%0.48126%0.259SS..  trans-74.4161.5174.6-60.7-169.21400112K178 T179 D181K178-Q183 CarbonylContact C-O 3.56Å; K178-Q183 VanDerWaalsContact CA-O 3.23Å; K178-Q183 WeakPolarHBondContact CA-O 3.46Å; T179-Q183 PolarHBondContact N-O 3.44Å; T179-Q183 WeakPolarHBondContact OG1-CA 3.41Å; T179-Q183 WeakPolarHBondContact OG1-CB 3.36Å; T179-Q183 PolarHBondContact OG1-N 3.02Å; T179-Q183 PolarHBondContact OG1-O 3.24Å; D181-Q183 VanDerWaalsContact C-N 3.33Å; D181-Q183 PolarHBondContact O-N 2.8Å; D181-Q183 PolarHBondContact OD1-N 3.08Å; D181-Q183 WeakPolarHBondContact OD2-CG 3.35Å; D181-Q183 PolarHBondContact OD2-NE2 3.33Å
184M95.2Very high93.4Very high14 Ų1439 Ų397%0.06923%0.225CC..EExtended strand (participates in β ladder)trans-91.5140.5171.7-73.5-60.2-52.200110.4Y83 L85 V91 V93 K176 W177 K178 C216Y83-M184 HydrophobicContact CD1-CB 4.24Å; Y83-M184 HydrophobicContact CD1-CE 4.05Å; Y83-M184 HydrophobicContact CD2-CB 3.77Å; Y83-M184 HydrophobicContact CD2-CG 4.27Å; Y83-M184 HydrophobicContact CE1-CB 4.13Å; Y83-M184 HydrophobicContact CE2-CB 3.64Å; Y83-M184 HydrophobicContact CG-CB 4.08Å; Y83-M184 HydrophobicContact CG-CE 4.07Å; Y83-M184 HydrophobicContact CG-CG 4.47Å; Y83-M184 PolarHBondContact OH-O 3.28Å; L85-M184 HydrophobicContact CD2-CE 3.89Å; V91-M184 HydrophobicContact CB-CG 4.18Å; V91-M184 HydrophobicContact CG1-CG 3.78Å; V93-M184 HydrophobicContact CG2-CB 4.43Å; K176-M184 HydrophobicContact CB-CE 4.42Å; W177-M184 WeakPolarHBondContact O-CE 3.44Å; K178-M184 HydrophobicContact CG-SD 3.48Å; K178-M184 WeakPolarHBondContact CG-SD 3.34Å; M184-C216 PolarHBondContact O-SG 3.18Å; M184-C216 VanDerWaalsContact O-SG 3.32Å
185D97.3Very high93.7Very high1 Ų138.6 Ų38.61%0.00522%0.222CC..EExtended strand (participates in β ladder)trans-141.6167.7169.2-1658.6000110.2K176 W177 T179 S214 C216 N218K176-D185 VanDerWaalsContact CA-O 3.26Å; K176-D185 WeakPolarHBondContact CA-O 3.42Å; K176-D185 WeakPolarHBondContact CB-O 3.23Å; W177-D185 HydrophobicContact CZ2-CB 3.93Å; W177-D185 PolarHBondContact N-O 2.88Å; W177-D185 PolarHBondContact O-N 2.83Å; T179-D185 HydrophobicContact CG2-CB 3.97Å; D185-S214 VanDerWaalsContact OD1-CB 3.26Å; D185-S214 WeakPolarHBondContact OD1-CB 3.23Å; D185-S214 PolarHBondContact OD1-OG 2.84Å; D185-S214 VanDerWaalsContact OD2-CB 3.23Å; D185-S214 WeakPolarHBondContact OD2-CB 3.25Å; D185-S214 PolarHBondContact OD2-OG 3.16Å; D185-C216 HydrophobicContact CB-CB 4.29Å; D185-C216 WeakPolarHBondContact OD1-CB 3.36Å; D185-C216 PolarHBondContact OD1-N 2.86Å; D185-N218 PolarHBondContact OD2-ND2 2.65Å
186G97.2Very high93.9Very high0 Ų040.1 Ų40.10%023%0.226CC..EExtended strand (participates in β ladder)trans-169.5171.5177.300000114A175 S214 V215A175-G186 CarbonylContact O-C 3.55Å; A175-G186 WeakPolarHBondContact O-CA 3.34Å; G186-S214 WeakPolarHBondContact O-CB 3.3Å; G186-V215 WeakPolarHBondContact O-CG2 3.33Å; G186-V215 PolarHBondContact O-N 2.96Å
187L97.9Very high94Very high0 Ų038.7 Ų38.70%022%0.221CC..  trans-111.2144.8176-52.8174.7000109.9A175 W177 E212 F220 R231A175-L187 HydrophobicContact CB-CB 4.24Å; A175-L187 HydrophobicContact CB-CD1 4.21Å; A175-L187 HydrophobicContact CB-CG 4.32Å; A175-L187 PolarHBondContact O-N 3.22Å; W177-L187 HydrophobicContact CH2-CD1 4.38Å; W177-L187 HydrophobicContact CH2-CD2 3.87Å; W177-L187 HydrophobicContact CH2-CG 3.72Å; W177-L187 HydrophobicContact CZ3-CD1 4.37Å; W177-L187 HydrophobicContact CZ3-CG 3.87Å; L187-E212 HydrophobicContact CD2-CG 4.18Å; L187-F220 HydrophobicContact CD2-CD2 4.29Å; L187-R231 HydrophobicContact CD1-CB 3.64Å
188T96.4Very high93.9Very high14 Ų1444.2 Ų44.29%0.08624%0.242CC..  trans-68.6160.6169.959.40000110.3A159 A160 N190 G191 V215 R223A159-T188 HydrophobicContact CB-CG2 4.06Å; A160-T188 HydrophobicContact CB-CG2 3.68Å; T188-N190 PolarHBondContact O-N 2.84Å; T188-G191 PolarHBondContact O-N 2.91Å; T188-G191 WeakPolarHBondContact OG1-CA 3.3Å; T188-G191 PolarHBondContact OG1-N 3.49Å; T188-V215 HydrophobicContact CG2-CG2 4.14Å; T188-R223 PolarHBondContact O-NH2 3Å
189T93.4Very high93.7Very high82 Ų8242.4 Ų42.450%0.50324%0.239SC..SBendtrans-51.6-53.3-176.3-52.80000112.3R223 S227T189-R223 PolarHBondContact O-NH1 2.86Å; T189-S227 VanDerWaalsContact O-CA 3.25Å; T189-S227 WeakPolarHBondContact O-CA 3.33Å
190N93.6Very high93.7Very high35 Ų3542.4 Ų42.419%0.18725%0.245CC..SBendtrans-93.7-8.7-176.4-64.4-13.1000114.1T137 T188 R226 S227 C251T137-N190 PolarHBondContact O-ND2 3.32Å; T137-N190 VanDerWaalsContact O-ND2 3.08Å; T188-N190 PolarHBondContact O-N 2.84Å; N190-R226 PolarHBondContact O-NE 3.01Å; N190-S227 PolarHBondContact OD1-OG 2.8Å; N190-C251 HydrophobicContact CB-CB 3.94Å
191G96Very high94.1Very high3 Ų336.3 Ų36.33%0.03120%0.201CC..  trans73.5152.2-177.900000114.2T188 E212 R226T188-G191 PolarHBondContact O-N 2.91Å; T188-G191 WeakPolarHBondContact OG1-CA 3.3Å; T188-G191 PolarHBondContact OG1-N 3.49Å; G191-E212 WeakPolarHBondContact CA-OE1 3.36Å; G191-R226 PolarHBondContact O-NH2 2.82Å
192V98.6Very high94.5Very high4 Ų435.9 Ų35.92%0.02420%0.197CC..EExtended strand (participates in β ladder)trans-109119.4166.8173.30000106.4A142 C143 I157 A159 I213 I248 L250A142-V192 VanDerWaalsContact O-CG2 3.28Å; A142-V192 WeakPolarHBondContact O-CG2 3.25Å; C143-V192 HydrophobicContact CB-CG1 4.25Å; C143-V192 HydrophobicContact CB-CG2 4.11Å; I157-V192 HydrophobicContact CD1-CG1 3.92Å; A159-V192 HydrophobicContact CB-CB 4.08Å; A159-V192 HydrophobicContact CB-CG2 3.9Å; V192-I213 PolarHBondContact O-N 3.26Å; V192-I248 HydrophobicContact CG1-CG2 4.11Å; V192-L250 HydrophobicContact CG1-CD2 4.04Å; V192-L250 HydrophobicContact CG2-CD2 4.2Å
193L98.7Very high94.7Very high6 Ų638 Ų383%0.03119%0.194CC..EExtended strand (participates in β ladder)trans-102.2145-178-44.5179.9000110.3W210 R211 E212 L222 I248 D249 P393L193-W210 HydrophobicContact CB-CE3 3.61Å; L193-W210 HydrophobicContact CB-CZ3 4.03Å; L193-R211 CarbonylContact C-O 3.55Å; L193-R211 WeakPolarHBondContact CA-O 3.34Å; L193-E212 HydrophobicContact CD2-CB 3.84Å; L193-E212 HydrophobicContact CD2-CG 4.04Å; L193-L222 HydrophobicContact CD1-CD2 4.01Å; L193-L222 HydrophobicContact CD2-CD2 3.73Å; L193-L222 HydrophobicContact CG-CD2 4.38Å; L193-I248 CarbonylContact O-C 3.53Å; L193-I248 WeakPolarHBondContact O-CA 3.38Å; L193-D249 HydrophobicContact CB-CB 4.13Å; L193-D249 PolarHBondContact N-O 3.36Å; L193-D249 PolarHBondContact O-N 2.81Å; L193-P393 HydrophobicContact CD1-CB 4.36Å; L193-P393 HydrophobicContact CD1-CG 4.07Å
194V98.8Very high94.6Very high1 Ų138.2 Ų38.21%0.00620%0.198CC..EExtended strand (participates in β ladder)trans-133139.2177.4-179.70000110I157 H196 W210 R211 I213 L242 L247 I248I157-V194 HydrophobicContact CD1-CG2 4.02Å; I157-V194 HydrophobicContact CG2-CG2 3.92Å; V194-H196 WeakPolarHBondContact CG1-CE1 3.47Å; V194-W210 VanDerWaalsContact C-CE3 3.41Å; V194-W210 WeakPolarHBondContact O-CA 3.27Å; V194-R211 PolarHBondContact N-O 3.06Å; V194-R211 PolarHBondContact O-N 3.45Å; V194-I213 HydrophobicContact CB-CD1 4.33Å; V194-I213 HydrophobicContact CB-CG1 4.06Å; V194-I213 HydrophobicContact CG2-CD1 4.24Å; V194-I213 HydrophobicContact CG2-CG1 3.51Å; V194-L242 HydrophobicContact CG1-CD2 4.27Å; V194-L247 CarbonylContact C-O 3.52Å; V194-L247 VanDerWaalsContact CA-O 3.23Å; V194-L247 WeakPolarHBondContact CA-O 3.17Å; V194-I248 HydrophobicContact CG2-CG1 4.35Å
195M98.4Very high94.4Very high0 Ų038 Ų380%020%0.198CC..EExtended strand (participates in β ladder)trans-130125.5170.7-175.8-158.279.100109W210 S246 L247 I390M195-W210 HydrophobicContact CB-CD2 3.58Å; M195-W210 HydrophobicContact CB-CE3 3.69Å; M195-W210 HydrophobicContact CB-CG 4.11Å; M195-W210 HydrophobicContact CB-CH2 4.15Å; M195-W210 HydrophobicContact CB-CZ2 4.02Å; M195-W210 HydrophobicContact CB-CZ3 3.98Å; M195-W210 HydrophobicContact CG-CD2 4.47Å; M195-S246 WeakPolarHBondContact O-CA 3.34Å; M195-L247 HydrophobicContact CB-CB 4.47Å; M195-L247 HydrophobicContact CE-CD1 3.5Å; M195-L247 HydrophobicContact CE-CG 4.06Å; M195-L247 PolarHBondContact N-O 2.84Å; M195-L247 PolarHBondContact O-N 3.15Å; M195-I390 HydrophobicContact CE-CD1 3.92Å; M195-I390 HydrophobicContact CE-CG2 4.17Å; M195-I390 HydrophobicContact SD-CG2 4.49Å
196H97.8Very high94.2Very high44 Ų4443.3 Ų43.320%0.20422%0.221CC..PPolyproline II helixtrans-95.6127.2173.5-56.2-58.5000109.7V194 G208 E241 V243 S246V194-H196 WeakPolarHBondContact CG1-CE1 3.47Å; H196-G208 VanDerWaalsContact O-CA 3.23Å; H196-G208 WeakPolarHBondContact O-CA 3.36Å; H196-E241 PolarHBondContact CE1-O 3.41Å; H196-V243 HydrophobicContact CB-CG2 3.89Å; H196-S246 PolarHBondContact CE1-OG 3.03Å; H196-S246 PolarHBondContact ND1-OG 3.48Å
197P95.3Very high93.9Very high9 Ų944.5 Ų44.56%0.05823%0.228CC..PPolyproline II helixtrans-65.3141.2174.130.3-35.5000109.8G200 F201 G245 F386P197-G200 WeakPolarHBondContact CB-O 3.14Å; P197-G200 WeakPolarHBondContact CG-O 3.33Å; P197-F201 HydrophobicContact CG-CD2 4.32Å; P197-G245 WeakPolarHBondContact CD-O 3.42Å; P197-F386 HydrophobicContact CB-CE2 4.34Å; P197-F386 HydrophobicContact CB-CZ 4.45Å
198R92.7Very high93.8Very high146 Ų14645.1 Ų45.155%0.55124%0.235SC*.BIsolated β-bridgetrans-79.9141.9173.6-67.9-176.3-70178.4-1.3109G200 S205 K206 P207R198-G200 VanDerWaalsContact C-N 3.3Å; R198-S205 WeakPolarHBondContact O-CA 3.34Å; R198-K206 HydrophobicContact CB-CB 4.24Å; R198-K206 PolarHBondContact N-O 2.82Å; R198-K206 PolarHBondContact O-N 2.99Å; R198-P207 PolarHBondContact NE-O 2.83Å; R198-P207 PolarHBondContact NH2-O 2.85Å; R198-P207 VanDerWaalsContact NH2-O 3.15Å
199N88.3Confident93.9Very high111 Ų11148.8 Ų48.859%0.59426%0.257SS*.THydrogen-bonded Turntrans6723.4-175.5-49.1-28.6000114.7
200G88.4Confident94.1Very high28 Ų2845.3 Ų45.329%0.28924%0.235SC..  trans81.6-161.2-18000000113.1P197 R198 S205P197-G200 WeakPolarHBondContact CB-O 3.14Å; P197-G200 WeakPolarHBondContact CG-O 3.33Å; R198-G200 VanDerWaalsContact C-N 3.3Å; G200-S205 WeakPolarHBondContact O-CB 3.13Å; G200-S205 PolarHBondContact O-OG 3.44Å
201F93.8Very high94.3Very high8 Ų845.6 Ų45.64%0.03523%0.234CC..SBendtrans-11771177.6-162.9-92.9000110.6P197 S205 L256 V363 F386 W387P197-F201 HydrophobicContact CG-CD2 4.32Å; F201-S205 WeakPolarHBondContact CA-OG 3.36Å; F201-L256 HydrophobicContact CE2-CD1 4.04Å; F201-L256 HydrophobicContact CZ-CD1 4.39Å; F201-L256 HydrophobicContact CZ-CD2 4.13Å; F201-V363 HydrophobicContact CD1-CG1 4.15Å; F201-V363 HydrophobicContact CE1-CG1 3.81Å; F201-V363 HydrophobicContact CE2-CG1 4.36Å; F201-V363 HydrophobicContact CZ-CG1 3.94Å; F201-F386 HydrophobicContact CD2-CE1 4.18Å; F201-F386 AromaticContact CD2-CZ 3.93Å; F201-F386 HydrophobicContact CD2-CZ 3.93Å; F201-F386 HydrophobicContact CE2-CD1 4.36Å; F201-F386 AromaticContact CE2-CE1 3.41Å; F201-F386 HydrophobicContact CE2-CE1 3.41Å; F201-F386 VanDerWaalsContact CE2-CE1 3.41Å; F201-F386 AromaticContact CE2-CZ 3.61Å; F201-F386 HydrophobicContact CE2-CZ 3.61Å; F201-F386 HydrophobicContact CZ-CE1 4.02Å; F201-W387 HydrophobicContact CE2-CZ2 4.39Å; F201-W387 HydrophobicContact CZ-CZ2 4.1Å
202M92Very high94.5Very high95 Ų9545.7 Ų45.747%0.46823%0.233SC..SBendtrans-138179.4-177.7-63.7-178.5-81.100110.6D204 S205 V363M202-D204 PolarHBondContact O-N 2.8Å; M202-S205 PolarHBondContact N-OG 3.26Å; M202-S205 VanDerWaalsContact O-CB 3.29Å; M202-S205 WeakPolarHBondContact O-CB 3.42Å; M202-S205 PolarHBondContact O-N 3.22Å; M202-S205 PolarHBondContact O-OG 2.79Å; M202-V363 CarbonylContact C-O 3.44Å
203Q88.4Confident94.5Very high95 Ų9545.5 Ų45.544%0.44423%0.232SC..THydrogen-bonded Turntrans-49.8-28.5-178.153.6178.525.700116.8V363 K382Q203-V363 PolarHBondContact N-O 2.91Å; Q203-V363 VanDerWaalsContact N-O 3.09Å; Q203-K382 HydrophobicContact CB-CD 3.63Å; Q203-K382 HydrophobicContact CB-CG 4.45Å
204D88.9Confident94.5Very high106 Ų10645.2 Ų45.257%0.56723%0.231SC*.THydrogen-bonded Turntrans-103.417.3-177.3-54.6-50.8000113M202M202-D204 PolarHBondContact O-N 2.8Å
205S91.3Very high94.5Very high11 Ų1145.2 Ų45.28%0.07723%0.23CC..  trans-64.4142.8-179.6-55.70000111.5R198 G200 F201 M202R198-S205 WeakPolarHBondContact O-CA 3.34Å; G200-S205 WeakPolarHBondContact O-CB 3.13Å; G200-S205 PolarHBondContact O-OG 3.44Å; F201-S205 WeakPolarHBondContact CA-OG 3.36Å; M202-S205 PolarHBondContact N-OG 3.26Å; M202-S205 VanDerWaalsContact O-CB 3.29Å; M202-S205 WeakPolarHBondContact O-CB 3.42Å; M202-S205 PolarHBondContact O-N 3.22Å; M202-S205 PolarHBondContact O-OG 2.79Å
206K91.9Very high94.4Very high112 Ų11246.6 Ų46.649%0.48724%0.24SC..BIsolated β-bridgetrans-120.1151.5172.1-66.5-175.4179.8-177.60110.5R198 G208R198-K206 HydrophobicContact CB-CB 4.24Å; R198-K206 PolarHBondContact N-O 2.82Å; R198-K206 PolarHBondContact O-N 2.99Å; K206-G208 PolarHBondContact O-N 2.84Å
207P92.1Very high94.4Very high24 Ų2444.6 Ų44.616%0.15623%0.231CC..  trans-55.4141.3171.923-33.4000110.6R198 Q389 I390R198-P207 PolarHBondContact NE-O 2.83Å; R198-P207 PolarHBondContact NH2-O 2.85Å; R198-P207 VanDerWaalsContact NH2-O 3.15Å; P207-Q389 HydrophobicContact CG-CB 4.19Å; P207-I390 HydrophobicContact CB-CD1 3.77Å
208G96.1Very high94.5Very high14 Ų1446.5 Ų46.514%0.14424%0.241CC..  trans-89.6-161.9169.400000112.1H196 K206H196-G208 VanDerWaalsContact O-CA 3.23Å; H196-G208 WeakPolarHBondContact O-CA 3.36Å; K206-G208 PolarHBondContact O-N 2.84Å
209V97.1Very high94.8Very high90 Ų9039.8 Ų39.855%0.54522%0.216SC..  trans-111.1136.4174.2-178.50000108.3
210W98.3Very high95.3Very high9 Ų934.5 Ų34.53%0.03419%0.188CC..EExtended strand (participates in β ladder)trans-70.5132.1172.5-74.4100.8000111L193 V194 M195 L222 L247 D249 T254 P391 L392 P393 F399L193-W210 HydrophobicContact CB-CE3 3.61Å; L193-W210 HydrophobicContact CB-CZ3 4.03Å; V194-W210 VanDerWaalsContact C-CE3 3.41Å; V194-W210 WeakPolarHBondContact O-CA 3.27Å; M195-W210 HydrophobicContact CB-CD2 3.58Å; M195-W210 HydrophobicContact CB-CE3 3.69Å; M195-W210 HydrophobicContact CB-CG 4.11Å; M195-W210 HydrophobicContact CB-CH2 4.15Å; M195-W210 HydrophobicContact CB-CZ2 4.02Å; M195-W210 HydrophobicContact CB-CZ3 3.98Å; M195-W210 HydrophobicContact CG-CD2 4.47Å; W210-L222 HydrophobicContact CB-CD1 4.07Å; W210-L222 HydrophobicContact CB-CD2 4Å; W210-L222 HydrophobicContact CB-CG 4.3Å; W210-L247 HydrophobicContact CH2-CB 3.52Å; W210-L247 HydrophobicContact CH2-CD1 4.44Å; W210-L247 HydrophobicContact CZ2-CB 4.07Å; W210-L247 HydrophobicContact CZ2-CD1 4.18Å; W210-L247 HydrophobicContact CZ3-CB 4.25Å; W210-D249 HydrophobicContact CH2-CB 4.02Å; W210-D249 HydrophobicContact CZ3-CB 3.87Å; W210-T254 HydrophobicContact CH2-CG2 4.2Å; W210-P391 PolarHBondContact NE1-O 3.14Å; W210-L392 HydrophobicContact CZ2-CD2 4.24Å; W210-P393 HydrophobicContact CD2-CG 4.1Å; W210-P393 HydrophobicContact CE3-CG 4.42Å; W210-P393 HydrophobicContact CH2-CG 4.3Å; W210-P393 VanDerWaalsContact CZ2-CD 3.46Å; W210-P393 HydrophobicContact CZ2-CG 4.01Å; W210-F399 AromaticContact CD1-CD1 3.98Å; W210-F399 AromaticContact CD1-CE1 3.67Å; W210-F399 HydrophobicContact CG-CE1 4.13Å
211R98.5Very high95.8Very high42 Ų4235.1 Ų35.116%0.15819%0.186CC..EExtended strand (participates in β ladder)trans-120.7153.8174.4-59.7-57.4-174.1-163.95.4110.3L193 V194 V219 F220 E238L193-R211 CarbonylContact C-O 3.55Å; L193-R211 WeakPolarHBondContact CA-O 3.34Å; V194-R211 PolarHBondContact N-O 3.06Å; V194-R211 PolarHBondContact O-N 3.45Å; R211-V219 HydrophobicContact CB-CG1 3.59Å; R211-V219 HydrophobicContact CG-CG1 3.67Å; R211-F220 CarbonylContact C-O 3.51Å; R211-F220 VanDerWaalsContact CA-O 3.3Å; R211-F220 WeakPolarHBondContact CA-O 3.34Å; R211-F220 WeakPolarHBondContact CB-O 3.43Å; R211-F220 WeakPolarHBondContact CD-O 3.49Å; R211-E238 WeakPolarHBondContact CG-OE2 3.04Å; R211-E238 IonicContact CZ-OE1 3.46Å; R211-E238 IonicContact CZ-OE2 3.35Å; R211-E238 IonicContact NE-OE1 3.33Å; R211-E238 PolarHBondContact NE-OE1 2.91Å; R211-E238 IonicContact NE-OE2 3.17Å; R211-E238 PolarHBondContact NE-OE2 2.83Å; R211-E238 IonicContact NH2-OE1 2.7Å; R211-E238 PolarHBondContact NH2-OE1 2.82Å; R211-E238 IonicContact NH2-OE2 2.7Å
212E98.8Very high96Very high4 Ų437.3 Ų37.32%0.01920%0.198CC..EExtended strand (participates in β ladder)trans-97.8132.3169.9-175.2169.7-162.700109.9L187 G191 L193 F220 R223L187-E212 HydrophobicContact CD2-CG 4.18Å; G191-E212 WeakPolarHBondContact CA-OE1 3.36Å; L193-E212 HydrophobicContact CD2-CB 3.84Å; L193-E212 HydrophobicContact CD2-CG 4.04Å; E212-F220 HydrophobicContact CB-CB 4.44Å; E212-F220 PolarHBondContact N-O 3.46Å; E212-F220 PolarHBondContact O-N 3.35Å; E212-R223 IonicContact OE1-CZ 3.85Å; E212-R223 VanDerWaalsContact OE1-CZ 3.27Å; E212-R223 IonicContact OE1-NE 3Å; E212-R223 PolarHBondContact OE1-NE 3.39Å; E212-R223 IonicContact OE1-NH2 3.79Å; E212-R223 PolarHBondContact OE1-NH2 3.34Å; E212-R223 WeakPolarHBondContact OE2-CG 3.5Å; E212-R223 IonicContact OE2-CZ 2.82Å; E212-R223 IonicContact OE2-NE 3.44Å; E212-R223 PolarHBondContact OE2-NE 3.01Å; E212-R223 IonicContact OE2-NH2 3.01Å
213I98.8Very high96.2Very high1 Ų133.9 Ų33.91%0.00518%0.18CC..EExtended strand (participates in β ladder)trans-98.7133.5178.7-54.3-58.8000109.4I157 A159 V192 V194 V219 Q240I157-I213 HydrophobicContact CG2-CG1 4.18Å; I157-I213 HydrophobicContact CG2-CG2 4.43Å; I157-I213 WeakPolarHBondContact O-CG2 3.32Å; A159-I213 VanDerWaalsContact CB-O 3.22Å; A159-I213 WeakPolarHBondContact CB-O 3.46Å; V192-I213 PolarHBondContact O-N 3.26Å; V194-I213 HydrophobicContact CB-CD1 4.33Å; V194-I213 HydrophobicContact CB-CG1 4.06Å; V194-I213 HydrophobicContact CG2-CD1 4.24Å; V194-I213 HydrophobicContact CG2-CG1 3.51Å; I213-V219 HydrophobicContact CD1-CG1 4.46Å; I213-V219 HydrophobicContact CD1-CG2 4.03Å; I213-Q240 HydrophobicContact CD1-CB 4.4Å; I213-Q240 HydrophobicContact CG2-CB 4.38Å
214S98.6Very high96.4Very high0 Ų038 Ų380%020%0.199CC..PPolyproline II helixtrans-81.5172176.4820000113.2A159 D185 G186 C216 G217 N218A159-S214 PolarHBondContact N-O 2.91Å; D185-S214 VanDerWaalsContact OD1-CB 3.26Å; D185-S214 WeakPolarHBondContact OD1-CB 3.23Å; D185-S214 PolarHBondContact OD1-OG 2.84Å; D185-S214 VanDerWaalsContact OD2-CB 3.23Å; D185-S214 WeakPolarHBondContact OD2-CB 3.25Å; D185-S214 PolarHBondContact OD2-OG 3.16Å; G186-S214 WeakPolarHBondContact O-CB 3.3Å; S214-C216 PolarHBondContact O-N 2.71Å; S214-C216 PolarHBondContact OG-N 3.05Å; S214-G217 PolarHBondContact O-N 2.61Å; S214-G217 VanDerWaalsContact O-N 3.13Å; S214-G217 PolarHBondContact OG-N 3.34Å; S214-G217 VanDerWaalsContact OG-N 3.14Å; S214-N218 PolarHBondContact N-O 2.51Å; S214-N218 WeakPolarHBondContact OG-CB 3.48Å; S214-N218 PolarHBondContact OG-N 3.11Å
215V98.3Very high96.6Very high0 Ų035.7 Ų35.70%019%0.189CC..THydrogen-bonded Turntrans-66.5-28.7177.3173.70000111.8I81 R144 A159 A160 I168 L170 G186 T188I81-V215 HydrophobicContact CD1-CG1 3.52Å; I81-V215 HydrophobicContact CG2-CG1 4.18Å; R144-V215 PolarHBondContact NH2-O 3.1Å; A159-V215 HydrophobicContact CB-CG2 4.27Å; A160-V215 HydrophobicContact CB-CG2 4.16Å; I168-V215 HydrophobicContact CD1-CG1 4.36Å; I168-V215 HydrophobicContact CG2-CG1 4.25Å; L170-V215 HydrophobicContact CD1-CB 4.44Å; L170-V215 HydrophobicContact CD1-CG2 4.09Å; L170-V215 HydrophobicContact CD2-CG2 4.18Å; G186-V215 WeakPolarHBondContact O-CG2 3.33Å; G186-V215 PolarHBondContact O-N 2.96Å; T188-V215 HydrophobicContact CG2-CG2 4.14Å
216C97.9Very high96.6Very high29 Ų2936.7 Ų36.720%0.19619%0.191CC..THydrogen-bonded Turntrans-93.93.3172.7-62.90000113.8Y83 Y158 M184 D185 S214Y83-C216 PolarHBondContact OH-SG 2.66Å; Y83-C216 VanDerWaalsContact OH-SG 3.4Å; Y158-C216 WeakPolarHBondContact CE1-O 3.3Å; M184-C216 PolarHBondContact O-SG 3.18Å; M184-C216 VanDerWaalsContact O-SG 3.32Å; D185-C216 HydrophobicContact CB-CB 4.29Å; D185-C216 WeakPolarHBondContact OD1-CB 3.36Å; D185-C216 PolarHBondContact OD1-N 2.86Å; S214-C216 PolarHBondContact O-N 2.71Å; S214-C216 PolarHBondContact OG-N 3.05Å
217G97.8Very high96.5Very high3 Ų333.3 Ų33.33%0.03118%0.181CC..  trans86.417.4173.200000115S214 Q240S214-G217 PolarHBondContact O-N 2.61Å; S214-G217 VanDerWaalsContact O-N 3.13Å; S214-G217 PolarHBondContact OG-N 3.34Å; S214-G217 VanDerWaalsContact OG-N 3.14Å; G217-Q240 WeakPolarHBondContact O-CB 3.44Å; G217-Q240 VanDerWaalsContact O-CD 3.24Å; G217-Q240 WeakPolarHBondContact O-CG 3.4Å; G217-Q240 PolarHBondContact O-OE1 2.72Å
218N97.8Very high96.5Very high48 Ų4833.1 Ų33.126%0.25718%0.182SC..  trans-77.4149.9169.5-69.9-49.3000110.6D185 S214 F220 M234D185-N218 PolarHBondContact OD2-ND2 2.65Å; S214-N218 PolarHBondContact N-O 2.51Å; S214-N218 WeakPolarHBondContact OG-CB 3.48Å; S214-N218 PolarHBondContact OG-N 3.11Å; N218-F220 HydrophobicContact CB-CD2 4.49Å; N218-F220 HydrophobicContact CB-CE2 3.64Å; N218-F220 HydrophobicContact CB-CZ 4.25Å; N218-M234 HydrophobicContact CB-CE 4.33Å
219V98.5Very high96.2Very high5 Ų537.2 Ų37.23%0.0320%0.197CC..EExtended strand (participates in β ladder)trans-102.6131.5-175.3-1730000110.8R211 I213 V235 E238 T239R211-V219 HydrophobicContact CB-CG1 3.59Å; R211-V219 HydrophobicContact CG-CG1 3.67Å; I213-V219 HydrophobicContact CD1-CG1 4.46Å; I213-V219 HydrophobicContact CD1-CG2 4.03Å; V219-V235 HydrophobicContact CG1-CB 4.37Å; V219-V235 PolarHBondContact O-N 2.81Å; V219-E238 HydrophobicContact CB-CB 4.42Å; V219-E238 HydrophobicContact CG1-CB 4.05Å; V219-T239 VanDerWaalsContact CG2-C 3.47Å
220F98.5Very high96.1Very high1 Ų139.9 Ų39.90%0.00420%0.204CC..EExtended strand (participates in β ladder)trans-126.7152.4179.4-66.8-92.9000111.6W177 L187 R211 E212 N218 G232 K233 M234W177-F220 HydrophobicContact CH2-CE1 4.43Å; W177-F220 AromaticContact CH2-CE2 3.95Å; W177-F220 HydrophobicContact CH2-CE2 3.95Å; W177-F220 AromaticContact CH2-CZ 3.83Å; W177-F220 HydrophobicContact CH2-CZ 3.83Å; W177-F220 HydrophobicContact CZ2-CE1 4.11Å; W177-F220 AromaticContact CZ2-CE2 3.62Å; W177-F220 HydrophobicContact CZ2-CE2 3.62Å; W177-F220 AromaticContact CZ2-CZ 3.26Å; W177-F220 HydrophobicContact CZ2-CZ 3.26Å; L187-F220 HydrophobicContact CD2-CD2 4.29Å; R211-F220 CarbonylContact C-O 3.51Å; R211-F220 VanDerWaalsContact CA-O 3.3Å; R211-F220 WeakPolarHBondContact CA-O 3.34Å; R211-F220 WeakPolarHBondContact CB-O 3.43Å; R211-F220 WeakPolarHBondContact CD-O 3.49Å; E212-F220 HydrophobicContact CB-CB 4.44Å; E212-F220 PolarHBondContact N-O 3.46Å; E212-F220 PolarHBondContact O-N 3.35Å; N218-F220 HydrophobicContact CB-CD2 4.49Å; N218-F220 HydrophobicContact CB-CE2 3.64Å; N218-F220 HydrophobicContact CB-CZ 4.25Å; F220-G232 WeakPolarHBondContact CD1-O 3.49Å; F220-K233 CarbonylContact C-O 3.11Å; F220-K233 VanDerWaalsContact CA-O 3.27Å; F220-K233 WeakPolarHBondContact CA-O 3.39Å; F220-M234 HydrophobicContact CD1-CB 4.1Å; F220-M234 HydrophobicContact CE1-CB 3.72Å; F220-M234 HydrophobicContact CE1-CG 4.18Å; F220-M234 HydrophobicContact CZ-CB 4.32Å; F220-M234 HydrophobicContact CZ-CG 4.3Å; F220-M234 HydrophobicContact CZ-SD 4.47Å
221T98.4Very high95.9Very high41 Ų4144 Ų4425%0.25222%0.219SC..EExtended strand (participates in β ladder)trans-59.5161.2160.870.70000109.8G232 K233 V235T221-G232 WeakPolarHBondContact O-CA 3.46Å; T221-G232 WeakPolarHBondContact OG1-CA 3.44Å; T221-K233 HydrophobicContact CG2-CB 4.13Å; T221-K233 PolarHBondContact N-O 3.42Å; T221-K233 PolarHBondContact OG1-N 2.7Å; T221-V235 HydrophobicContact CG2-CG2 3.76Å
222L97.7Very high95.8Very high53 Ų5342.6 Ų42.628%0.27722%0.217SC..PPolyproline II helixtrans-58.1151.1171.5-59.3-178.6000111.4L193 W210 F399L193-L222 HydrophobicContact CD1-CD2 4.01Å; L193-L222 HydrophobicContact CD2-CD2 3.73Å; L193-L222 HydrophobicContact CG-CD2 4.38Å; W210-L222 HydrophobicContact CB-CD1 4.07Å; W210-L222 HydrophobicContact CB-CD2 4Å; W210-L222 HydrophobicContact CB-CG 4.3Å; L222-F399 HydrophobicContact CD1-CE1 4.28Å; L222-F399 HydrophobicContact CD1-CE2 4.22Å; L222-F399 HydrophobicContact CD1-CZ 3.5Å; L222-F399 VanDerWaalsContact CD1-CZ 3.5Å
223R96.4Very high95.8Very high23 Ų2350.4 Ų50.49%0.08725%0.251CS..PPolyproline II helixtrans-67.8165.1163.8-44.8-171.5-164.7169.54.2109.4T188 T189 E212 T225 A228 Q230T188-R223 PolarHBondContact O-NH2 3Å; T189-R223 PolarHBondContact O-NH1 2.86Å; E212-R223 IonicContact OE1-CZ 3.85Å; E212-R223 VanDerWaalsContact OE1-CZ 3.27Å; E212-R223 IonicContact OE1-NE 3Å; E212-R223 PolarHBondContact OE1-NE 3.39Å; E212-R223 IonicContact OE1-NH2 3.79Å; E212-R223 PolarHBondContact OE1-NH2 3.34Å; E212-R223 WeakPolarHBondContact OE2-CG 3.5Å; E212-R223 IonicContact OE2-CZ 2.82Å; E212-R223 IonicContact OE2-NE 3.44Å; E212-R223 PolarHBondContact OE2-NE 3.01Å; E212-R223 IonicContact OE2-NH2 3.01Å; R223-T225 VanDerWaalsContact C-N 3.29Å; R223-T225 WeakPolarHBondContact CB-O 3.41Å; R223-T225 PolarHBondContact O-N 3.48Å; R223-A228 HydrophobicContact CB-CB 4.21Å; R223-A228 WeakPolarHBondContact CD-O 3.23Å; R223-A228 PolarHBondContact NH1-O 3.08Å; R223-Q230 WeakPolarHBondContact CG-O 3.31Å
224E93.4Very high95.7Very high182 Ų18254.7 Ų54.785%0.8527%0.272SS*.SBendtrans-58.4-43.5174.7-174.9179.6-172.200111.9
225T93.1Very high95.6Very high58 Ų5855.6 Ų55.636%0.35628%0.278SS..SBendtrans-135.6148.7170.256.20000109.8R223 S227 A228 H397R223-T225 VanDerWaalsContact C-N 3.29Å; R223-T225 WeakPolarHBondContact CB-O 3.41Å; R223-T225 PolarHBondContact O-N 3.48Å; T225-S227 PolarHBondContact O-N 3.09Å; T225-A228 WeakPolarHBondContact O-CB 3.29Å; T225-A228 PolarHBondContact O-N 2.92Å; T225-H397 HydrophobicContact CG2-CB 4.32Å
226R90.3Very high95.5Very high32 Ų3263.4 Ų63.412%0.12131%0.314CS..THydrogen-bonded Turntrans-51.3133.5171.1-159.191.5-175.1-120.412.2108.3N190 G191 A228 D249 C251 T396N190-R226 PolarHBondContact O-NE 3.01Å; G191-R226 PolarHBondContact O-NH2 2.82Å; R226-A228 PolarHBondContact O-N 2.79Å; R226-D249 IonicContact CZ-OD1 3.88Å; R226-D249 IonicContact NH1-OD1 2.89Å; R226-D249 PolarHBondContact NH1-OD1 3.33Å; R226-D249 IonicContact NH2-OD1 2.84Å; R226-D249 PolarHBondContact NH2-OD1 3.48Å; R226-C251 VanDerWaalsContact NH2-CB 3.34Å; R226-C251 VanDerWaalsContact NH2-N 3.19Å; R226-T396 VanDerWaalsContact CB-O 3.28Å; R226-T396 WeakPolarHBondContact CB-O 3.46Å; R226-T396 PolarHBondContact N-O 2.96Å
227S90.2Very high95.5Very high41 Ų4168.2 Ų68.229%0.28734%0.343SS..THydrogen-bonded Turntrans71.63.8-178.6-40.70000116.9T189 N190 T225T189-S227 VanDerWaalsContact O-CA 3.25Å; T189-S227 WeakPolarHBondContact O-CA 3.33Å; N190-S227 PolarHBondContact OD1-OG 2.8Å; T225-S227 PolarHBondContact O-N 3.09Å
228A92.7Very high95.5Very high20 Ų2071.2 Ų71.217%0.16536%0.356CS..  trans-58.5146169.400000111.6R223 T225 R226 Q230R223-A228 HydrophobicContact CB-CB 4.21Å; R223-A228 WeakPolarHBondContact CD-O 3.23Å; R223-A228 PolarHBondContact NH1-O 3.08Å; T225-A228 WeakPolarHBondContact O-CB 3.29Å; T225-A228 PolarHBondContact O-N 2.92Å; R226-A228 PolarHBondContact O-N 2.79Å; A228-Q230 VanDerWaalsContact C-N 3.29Å; A228-Q230 PolarHBondContact O-N 3.26Å
229Q89.3Confident95.4Very high99 Ų9972.3 Ų72.346%0.46337%0.365SS..SBendtrans-71.6-27.5179.5-67.2-62.1-4700112.8K173 A175 R231K173-Q229 PolarHBondContact O-NE2 2.83Å; K173-Q229 PolarHBondContact O-OE1 3.46Å; A175-Q229 WeakPolarHBondContact CB-O 3.3Å; Q229-R231 PolarHBondContact O-N 2.91Å
230Q94.1Very high95.4Very high147 Ų14773.8 Ų73.869%0.68737%0.371SS*.SBendtrans-77.4119.8-179.7-170.362.420.200110R223 A228R223-Q230 WeakPolarHBondContact CG-O 3.31Å; A228-Q230 VanDerWaalsContact C-N 3.29Å; A228-Q230 PolarHBondContact O-N 3.26Å
231R95.3Very high95.4Very high96 Ų9677 Ų7736%0.36239%0.386SS..  trans-66.5153.1172.364.7173.8177.7173.5-2.8111.4W177 L187 Q229W177-R231 HydrophobicContact CZ3-CB 4.32Å; L187-R231 HydrophobicContact CD1-CB 3.64Å; Q229-R231 PolarHBondContact O-N 2.91Å
232G96.9Very high95.4Very high11 Ų1175.5 Ų75.511%0.11338%0.377CS..  trans-68.1-176.1166.600000113.2F220 T221F220-G232 WeakPolarHBondContact CD1-O 3.49Å; T221-G232 WeakPolarHBondContact O-CA 3.46Å; T221-G232 WeakPolarHBondContact OG1-CA 3.44Å
233K97.4Very high95.4Very high169 Ų16976.3 Ų76.374%0.73538%0.383SS*.  trans-80.8140.2175.1-63.5-178.7-179.2179.70109.8F220 T221F220-K233 CarbonylContact C-O 3.11Å; F220-K233 VanDerWaalsContact CA-O 3.27Å; F220-K233 WeakPolarHBondContact CA-O 3.39Å; T221-K233 HydrophobicContact CG2-CB 4.13Å; T221-K233 PolarHBondContact N-O 3.42Å; T221-K233 PolarHBondContact OG1-N 2.7Å
234M97.1Very high95.5Very high91 Ų9176 Ų7645%0.44838%0.384SS..BIsolated β-bridgetrans-65.9141.4174.5-170.5166173.900110N218 F220 E236N218-M234 HydrophobicContact CB-CE 4.33Å; F220-M234 HydrophobicContact CD1-CB 4.1Å; F220-M234 HydrophobicContact CE1-CB 3.72Å; F220-M234 HydrophobicContact CE1-CG 4.18Å; F220-M234 HydrophobicContact CZ-CB 4.32Å; F220-M234 HydrophobicContact CZ-CG 4.3Å; F220-M234 HydrophobicContact CZ-SD 4.47Å; M234-E236 HydrophobicContact CE-CG 4.26Å; M234-E236 HydrophobicContact CG-CG 4.25Å
235V97.8Very high95.7Very high18 Ų1867.4 Ų67.411%0.10934%0.343CS..  trans-118.686.2179.4-172.30000108.3V219 T221 T237 E238V219-V235 HydrophobicContact CG1-CB 4.37Å; V219-V235 PolarHBondContact O-N 2.81Å; T221-V235 HydrophobicContact CG2-CG2 3.76Å; V235-T237 PolarHBondContact O-N 3.01Å; V235-E238 HydrophobicContact CG1-CB 3.97Å; V235-E238 HydrophobicContact CG1-CG 3.81Å; V235-E238 PolarHBondContact O-N 2.87Å
236E95.4Very high96Very high165 Ų16564.6 Ų64.677%0.77133%0.326SS*.THydrogen-bonded Turntrans-66.7-20-173.9-63.1178.8174.400113.8M234 E238M234-E236 HydrophobicContact CE-CG 4.26Å; M234-E236 HydrophobicContact CG-CG 4.25Å; E236-E238 VanDerWaalsContact C-N 3.3Å
237T96.9Very high96.4Very high129 Ų12963.1 Ų63.179%0.79132%0.321SS*.THydrogen-bonded Turntrans-81.1-8.7179.356.30000113.6V235V235-T237 PolarHBondContact O-N 3.01Å
238E97.6Very high96.8Very high66 Ų6661.2 Ų61.231%0.30831%0.307SS..  trans-116.4154.9-178.6-69.1177.8-14600110.5R211 V219 V235 E236R211-E238 WeakPolarHBondContact CG-OE2 3.04Å; R211-E238 IonicContact CZ-OE1 3.46Å; R211-E238 IonicContact CZ-OE2 3.35Å; R211-E238 IonicContact NE-OE1 3.33Å; R211-E238 PolarHBondContact NE-OE1 2.91Å; R211-E238 IonicContact NE-OE2 3.17Å; R211-E238 PolarHBondContact NE-OE2 2.83Å; R211-E238 IonicContact NH2-OE1 2.7Å; R211-E238 PolarHBondContact NH2-OE1 2.82Å; R211-E238 IonicContact NH2-OE2 2.7Å; V219-E238 HydrophobicContact CB-CB 4.42Å; V219-E238 HydrophobicContact CG1-CB 4.05Å; V235-E238 HydrophobicContact CG1-CB 3.97Å; V235-E238 HydrophobicContact CG1-CG 3.81Å; V235-E238 PolarHBondContact O-N 2.87Å; E236-E238 VanDerWaalsContact C-N 3.3Å
239T97.6Very high97.1Very high72 Ų7260.4 Ų60.444%0.44230%0.3SS..  trans-126.7166.8-178.2740000110.9V219 E241V219-T239 VanDerWaalsContact CG2-C 3.47Å; T239-E241 PolarHBondContact O-N 2.65Å; T239-E241 PolarHBondContact OG1-N 2.86Å
240Q97.6Very high97.5Very high35 Ų3555.9 Ų55.916%0.16428%0.279CS..  trans-83.911.3175.576.7-73.729.200113.9R156 I157 Y158 I213 G217 L242R156-Q240 WeakPolarHBondContact CA-O 3.37Å; R156-Q240 HydrophobicContact CB-CG 4.01Å; R156-Q240 HydrophobicContact CG-CG 4.24Å; I157-Q240 HydrophobicContact CG2-CB 4.37Å; I157-Q240 PolarHBondContact N-O 3Å; I157-Q240 WeakPolarHBondContact O-CB 3.2Å; I157-Q240 WeakPolarHBondContact O-CG 3.34Å; Y158-Q240 PolarHBondContact OH-NE2 3.31Å; I213-Q240 HydrophobicContact CD1-CB 4.4Å; I213-Q240 HydrophobicContact CG2-CB 4.38Å; G217-Q240 WeakPolarHBondContact O-CB 3.44Å; G217-Q240 VanDerWaalsContact O-CD 3.24Å; G217-Q240 WeakPolarHBondContact O-CG 3.4Å; G217-Q240 PolarHBondContact O-OE1 2.72Å; Q240-L242 PolarHBondContact O-N 2.84Å
241E98.5Very high97.5Very high68 Ų6849.6 Ų49.632%0.31825%0.252SS..BIsolated β-bridgetrans-71.7124.9177.8-66.1-170.617600110.9T154 R156 H196 T239 V243T154-E241 HydrophobicContact CG2-CB 4.24Å; T154-E241 HydrophobicContact CG2-CG 3.81Å; R156-E241 HydrophobicContact CG-CG 3.8Å; R156-E241 IonicContact CZ-OE1 2.72Å; R156-E241 VanDerWaalsContact CZ-OE1 3.26Å; R156-E241 IonicContact NE-OE1 3.61Å; R156-E241 PolarHBondContact NE-OE1 3.48Å; R156-E241 VanDerWaalsContact NE-OE1 3.11Å; R156-E241 IonicContact NH2-OE1 3.98Å; R156-E241 PolarHBondContact NH2-OE1 3.14Å; H196-E241 PolarHBondContact CE1-O 3.41Å; T239-E241 PolarHBondContact O-N 2.65Å; T239-E241 PolarHBondContact OG1-N 2.86Å; E241-V243 PolarHBondContact O-N 2.81Å
242L98.6Very high97.5Very high11 Ų1146.4 Ų46.46%0.05825%0.249CC..  trans-81.1109.8178.3-67.3177.6000110.3I145 A155 I157 V194 Q240 I248 W257I145-L242 HydrophobicContact CD1-CD1 3.87Å; I145-L242 HydrophobicContact CG1-CD1 4.1Å; I145-L242 HydrophobicContact CG2-CD1 4.34Å; A155-L242 HydrophobicContact CB-CB 4.36Å; A155-L242 PolarHBondContact O-N 2.92Å; I157-L242 HydrophobicContact CB-CD1 4.21Å; I157-L242 HydrophobicContact CB-CD2 4.18Å; I157-L242 HydrophobicContact CB-CG 4.17Å; I157-L242 HydrophobicContact CG2-CD2 3.84Å; I157-L242 HydrophobicContact CG2-CG 4.17Å; V194-L242 HydrophobicContact CG1-CD2 4.27Å; Q240-L242 PolarHBondContact O-N 2.84Å; L242-I248 HydrophobicContact CD1-CD1 4.06Å; L242-I248 HydrophobicContact CD2-CD1 4.03Å; L242-I248 HydrophobicContact CD2-CG1 4.16Å; L242-W257 HydrophobicContact CB-CD2 4.38Å; L242-W257 HydrophobicContact CB-CG 3.99Å; L242-W257 HydrophobicContact CD1-CB 4.42Å; L242-W257 HydrophobicContact CD1-CD2 4.13Å; L242-W257 HydrophobicContact CD1-CG 4.09Å; L242-W257 PolarHBondContact O-NE1 2.95Å
243V97.8Very high97.4Very high69 Ų6946 Ų4642%0.41824%0.244SC..  trans-87159.5171-58.10000111.7H196 E241 G245 S246 W257H196-V243 HydrophobicContact CB-CG2 3.89Å; E241-V243 PolarHBondContact O-N 2.81Å; V243-G245 PolarHBondContact O-N 2.88Å; V243-S246 WeakPolarHBondContact CG2-OG 3.27Å; V243-S246 PolarHBondContact N-OG 3.28Å; V243-S246 WeakPolarHBondContact O-CB 3.31Å; V243-S246 PolarHBondContact O-N 2.95Å; V243-S246 PolarHBondContact O-OG 3.32Å; V243-W257 VanDerWaalsContact O-CD1 3.31Å
244D98Very high97.5Very high18 Ų1838.7 Ų38.710%0.09621%0.213CC..THydrogen-bonded Turntrans-53.7128.7177.5-163.250.6000111.2R258 T259 G262D244-R258 WeakPolarHBondContact OD1-CA 3.45Å; D244-R258 IonicContact OD1-CZ 2.69Å; D244-R258 IonicContact OD1-NE 2.64Å; D244-R258 PolarHBondContact OD1-NE 2.69Å; D244-R258 IonicContact OD1-NH2 3.88Å; D244-R258 IonicContact OD2-CZ 3.19Å; D244-R258 IonicContact OD2-NE 3.36Å; D244-R258 PolarHBondContact OD2-NE 2.86Å; D244-R258 IonicContact OD2-NH2 2.84Å; D244-R258 PolarHBondContact OD2-NH2 2.88Å; D244-T259 HydrophobicContact CB-CG2 3.92Å; D244-T259 WeakPolarHBondContact CB-OG1 3.12Å; D244-T259 PolarHBondContact OD1-N 3.2Å; D244-T259 PolarHBondContact OD1-OG1 2.74Å; D244-G262 VanDerWaalsContact OD2-CA 3.27Å; D244-G262 WeakPolarHBondContact OD2-CA 3.45Å
245G98Very high97.6Very high0 Ų034.4 Ų34.40%019%0.192CC..THydrogen-bonded Turntrans87.73.3-178.300000115.9P197 V243 L247 L256 W257P197-G245 WeakPolarHBondContact CD-O 3.42Å; V243-G245 PolarHBondContact O-N 2.88Å; G245-L247 PolarHBondContact O-N 3.42Å; G245-L256 WeakPolarHBondContact O-CD1 3.27Å; G245-W257 WeakPolarHBondContact CA-O 3.37Å; G245-W257 PolarHBondContact N-O 2.78Å
246S98.7Very high97.6Very high0 Ų033.5 Ų33.50%019%0.187CC..  trans-58.5129.8176.8-59.80000111M195 H196 V243 W257M195-S246 WeakPolarHBondContact O-CA 3.34Å; H196-S246 PolarHBondContact CE1-OG 3.03Å; H196-S246 PolarHBondContact ND1-OG 3.48Å; V243-S246 WeakPolarHBondContact CG2-OG 3.27Å; V243-S246 PolarHBondContact N-OG 3.28Å; V243-S246 WeakPolarHBondContact O-CB 3.31Å; V243-S246 PolarHBondContact O-N 2.95Å; V243-S246 PolarHBondContact O-OG 3.32Å; S246-W257 PolarHBondContact O-N 3.26Å
247L98.8Very high97.8Very high1 Ų125.8 Ų25.81%0.00515%0.151CC..EExtended strand (participates in β ladder)trans-93.2139.2171.8-61.8179000110L27 V194 M195 W210 G245 T254 L255 L256 W387 I390 L392L27-L247 HydrophobicContact CD1-CD2 4.46Å; V194-L247 CarbonylContact C-O 3.52Å; V194-L247 VanDerWaalsContact CA-O 3.23Å; V194-L247 WeakPolarHBondContact CA-O 3.17Å; M195-L247 HydrophobicContact CB-CB 4.47Å; M195-L247 HydrophobicContact CE-CD1 3.5Å; M195-L247 HydrophobicContact CE-CG 4.06Å; M195-L247 PolarHBondContact N-O 2.84Å; M195-L247 PolarHBondContact O-N 3.15Å; W210-L247 HydrophobicContact CH2-CB 3.52Å; W210-L247 HydrophobicContact CH2-CD1 4.44Å; W210-L247 HydrophobicContact CZ2-CB 4.07Å; W210-L247 HydrophobicContact CZ2-CD1 4.18Å; W210-L247 HydrophobicContact CZ3-CB 4.25Å; G245-L247 PolarHBondContact O-N 3.42Å; L247-T254 HydrophobicContact CB-CG2 4.3Å; L247-L255 CarbonylContact C-O 3.57Å; L247-L255 WeakPolarHBondContact CA-O 3.33Å; L247-L256 HydrophobicContact CD2-CB 4.25Å; L247-L256 HydrophobicContact CD2-CD1 3.73Å; L247-W387 HydrophobicContact CD1-CZ3 4.31Å; L247-W387 HydrophobicContact CD2-CH2 3.91Å; L247-W387 HydrophobicContact CD2-CZ3 4.13Å; L247-I390 HydrophobicContact CD1-CG2 3.49Å; L247-I390 VanDerWaalsContact CD1-CG2 3.49Å; L247-L392 HydrophobicContact CD1-CD2 3.99Å
248I98.9Very high97.8Very high0 Ų019.9 Ų19.90%011%0.114CC..EExtended strand (participates in β ladder)trans-126.6115.8-179.8-57.7159.3000107.8L24 I145 I157 V192 L193 V194 L242 L250 T254 L255 W257L24-I248 HydrophobicContact CD2-CD1 3.92Å; I145-I248 HydrophobicContact CD1-CD1 4.41Å; I157-I248 HydrophobicContact CD1-CB 4.35Å; I157-I248 HydrophobicContact CD1-CD1 3.86Å; I157-I248 HydrophobicContact CD1-CG1 3.87Å; I157-I248 HydrophobicContact CD1-CG2 3.52Å; V192-I248 HydrophobicContact CG1-CG2 4.11Å; L193-I248 CarbonylContact O-C 3.53Å; L193-I248 WeakPolarHBondContact O-CA 3.38Å; V194-I248 HydrophobicContact CG2-CG1 4.35Å; L242-I248 HydrophobicContact CD1-CD1 4.06Å; L242-I248 HydrophobicContact CD2-CD1 4.03Å; L242-I248 HydrophobicContact CD2-CG1 4.16Å; I248-L250 HydrophobicContact CG2-CD2 3.8Å; I248-L250 HydrophobicContact CG2-CG 4.32Å; I248-T254 CarbonylContact O-C 3.55Å; I248-T254 WeakPolarHBondContact O-CA 3.37Å; I248-L255 HydrophobicContact CB-CB 4.33Å; I248-L255 PolarHBondContact N-O 2.93Å; I248-L255 PolarHBondContact O-N 2.72Å; I248-W257 HydrophobicContact CD1-CB 4.4Å
249D98.6Very high97.9Very high4 Ų418.2 Ų18.22%0.02111%0.108CC..EExtended strand (participates in β ladder)trans-100.1123.7176.2-172.6-84.9000111.5L193 W210 R226 C251 T254 P393L193-D249 HydrophobicContact CB-CB 4.13Å; L193-D249 PolarHBondContact N-O 3.36Å; L193-D249 PolarHBondContact O-N 2.81Å; W210-D249 HydrophobicContact CH2-CB 4.02Å; W210-D249 HydrophobicContact CZ3-CB 3.87Å; R226-D249 IonicContact CZ-OD1 3.88Å; R226-D249 IonicContact NH1-OD1 2.89Å; R226-D249 PolarHBondContact NH1-OD1 3.33Å; R226-D249 IonicContact NH2-OD1 2.84Å; R226-D249 PolarHBondContact NH2-OD1 3.48Å; D249-C251 WeakPolarHBondContact OD1-CA 3.39Å; D249-C251 PolarHBondContact OD1-N 2.86Å; D249-T254 PolarHBondContact OD2-OG1 3.03Å; D249-T254 VanDerWaalsContact OD2-OG1 3.06Å; D249-P393 HydrophobicContact CB-CG 3.9Å
250L98.1Very high97.8Very high4 Ų416.6 Ų16.62%0.02110%0.102CC..  trans-105.221.5-177.5-58.1-175.9000113.3I106 I138 A142 C143 V192 I248 A253 L255I106-L250 HydrophobicContact CG2-CD1 3.72Å; I138-L250 HydrophobicContact CG2-CB 4.35Å; A142-L250 HydrophobicContact CB-CD1 4.24Å; A142-L250 HydrophobicContact CB-CD2 4.15Å; C143-L250 HydrophobicContact CB-CD2 4.32Å; V192-L250 HydrophobicContact CG1-CD2 4.04Å; V192-L250 HydrophobicContact CG2-CD2 4.2Å; I248-L250 HydrophobicContact CG2-CD2 3.8Å; I248-L250 HydrophobicContact CG2-CG 4.32Å; L250-A253 PolarHBondContact N-O 2.8Å; L250-L255 HydrophobicContact CD1-CD1 3.8Å; L250-L255 HydrophobicContact CD1-CG 4.36Å
251C95.3Very high97.6Very high15 Ų1520.6 Ų20.610%0.10112%0.121CC..SBendtrans60.463.5-179-161.90000111.6T137 I138 N190 R226 D249T137-C251 CarbonylContact C-O 3.53Å; T137-C251 WeakPolarHBondContact CB-O 3.43Å; T137-C251 PolarHBondContact OG1-O 3.19Å; I138-C251 PolarHBondContact N-O 2.83Å; N190-C251 HydrophobicContact CB-CB 3.94Å; R226-C251 VanDerWaalsContact NH2-CB 3.34Å; R226-C251 VanDerWaalsContact NH2-N 3.19Å; D249-C251 WeakPolarHBondContact OD1-CA 3.39Å; D249-C251 PolarHBondContact OD1-N 2.86Å
252G94Very high97.5Very high29 Ų2917.4 Ų17.430%0.29911%0.106SC..SBendtrans141.5-22.6179.600000112.6D120 T121D120-G252 WeakPolarHBondContact CA-O 3.35Å; T121-G252 PolarHBondContact N-O 3.19Å
253A96Very high97.2Very high2 Ų218.5 Ų18.52%0.01711%0.112CC..  trans-143.4144.5169.300000110V118 I138 L250V118-A253 HydrophobicContact CG1-CB 3.5Å; V118-A253 VanDerWaalsContact CG1-CB 3.5Å; I138-A253 HydrophobicContact CD1-CB 3.75Å; L250-A253 PolarHBondContact N-O 2.8Å
254T98.2Very high96.9Very high15 Ų1519.7 Ų19.79%0.09212%0.123CC..EExtended strand (participates in β ladder)trans-108.7134171.7-46.60000109.4L27 W210 L247 I248 D249 L392L27-T254 HydrophobicContact CD2-CG2 4.19Å; L27-T254 PolarHBondContact N-O 2.82Å; W210-T254 HydrophobicContact CH2-CG2 4.2Å; L247-T254 HydrophobicContact CB-CG2 4.3Å; I248-T254 CarbonylContact O-C 3.55Å; I248-T254 WeakPolarHBondContact O-CA 3.37Å; D249-T254 PolarHBondContact OD2-OG1 3.03Å; D249-T254 VanDerWaalsContact OD2-OG1 3.06Å; T254-L392 HydrophobicContact CG2-CD2 4.11Å
255L98.7Very high96.6Very high1 Ų125.6 Ų25.61%0.00514%0.144CC..EExtended strand (participates in β ladder)trans-110.8145177.2-49.5-179.3000109.7L24 I25 V26 I106 F116 V118 L247 I248 L250L24-L255 HydrophobicContact CD1-CD1 4.33Å; L24-L255 HydrophobicContact CD2-CB 4.48Å; L24-L255 HydrophobicContact CD2-CD1 4.46Å; I25-L255 CarbonylContact O-C 3.58Å; I25-L255 WeakPolarHBondContact O-CA 3.32Å; V26-L255 HydrophobicContact CB-CD2 4.14Å; V26-L255 HydrophobicContact CG1-CD2 4.16Å; V26-L255 HydrophobicContact CG2-CD2 3.72Å; I106-L255 HydrophobicContact CG2-CD1 4.05Å; F116-L255 HydrophobicContact CE1-CD1 4.43Å; F116-L255 HydrophobicContact CE1-CD2 4.31Å; V118-L255 HydrophobicContact CG1-CD2 4.32Å; V118-L255 HydrophobicContact CG2-CD1 4.44Å; V118-L255 HydrophobicContact CG2-CD2 4.23Å; L247-L255 CarbonylContact C-O 3.57Å; L247-L255 WeakPolarHBondContact CA-O 3.33Å; I248-L255 HydrophobicContact CB-CB 4.33Å; I248-L255 PolarHBondContact N-O 2.93Å; I248-L255 PolarHBondContact O-N 2.72Å; L250-L255 HydrophobicContact CD1-CD1 3.8Å; L250-L255 HydrophobicContact CD1-CG 4.36Å
256L98.8Very high96.2Very high0 Ų026.4 Ų26.40%015%0.149CC..EExtended strand (participates in β ladder)trans-100.2126.9166.2177.766000109.1L24 I25 L27 F201 G245 L247 R258 G360 F361 W387L24-L256 CarbonylContact C-O 3.54Å; L24-L256 WeakPolarHBondContact CA-O 3.49Å; I25-L256 HydrophobicContact CB-CB 4.38Å; I25-L256 PolarHBondContact N-O 2.98Å; I25-L256 PolarHBondContact O-N 2.87Å; L27-L256 HydrophobicContact CD1-CB 3.83Å; F201-L256 HydrophobicContact CE2-CD1 4.04Å; F201-L256 HydrophobicContact CZ-CD1 4.39Å; F201-L256 HydrophobicContact CZ-CD2 4.13Å; G245-L256 WeakPolarHBondContact O-CD1 3.27Å; L247-L256 HydrophobicContact CD2-CB 4.25Å; L247-L256 HydrophobicContact CD2-CD1 3.73Å; L256-R258 HydrophobicContact CD2-CG 4.07Å; L256-R258 HydrophobicContact CG-CG 4.1Å; L256-G360 VanDerWaalsContact CD2-O 3.25Å; L256-G360 WeakPolarHBondContact CD2-O 3.47Å; L256-F361 HydrophobicContact CB-CE1 4.35Å; L256-F361 HydrophobicContact CD2-CD1 3.59Å; L256-F361 HydrophobicContact CD2-CE1 3.99Å; L256-W387 HydrophobicContact CD2-CZ2 4.42Å
257W98.8Very high95.9Very high3 Ų327 Ų271%0.01115%0.153CC..EExtended strand (participates in β ladder)trans-88.8124.9165.8170.4-106.5000110.1G22 L24 L47 A155 L242 V243 G245 S246 I248G22-W257 VanDerWaalsContact CA-CH2 3.48Å; L24-W257 HydrophobicContact CD2-CB 4.36Å; L24-W257 HydrophobicContact CD2-CE3 3.93Å; L24-W257 HydrophobicContact CG-CE3 4.3Å; L47-W257 HydrophobicContact CD1-CZ3 4.2Å; L47-W257 HydrophobicContact CD2-CH2 4.42Å; L47-W257 HydrophobicContact CD2-CZ3 4.01Å; A155-W257 HydrophobicContact CB-CH2 3.99Å; A155-W257 HydrophobicContact CB-CZ2 3.55Å; L242-W257 HydrophobicContact CB-CD2 4.38Å; L242-W257 HydrophobicContact CB-CG 3.99Å; L242-W257 HydrophobicContact CD1-CB 4.42Å; L242-W257 HydrophobicContact CD1-CD2 4.13Å; L242-W257 HydrophobicContact CD1-CG 4.09Å; L242-W257 PolarHBondContact O-NE1 2.95Å; V243-W257 VanDerWaalsContact O-CD1 3.31Å; G245-W257 WeakPolarHBondContact CA-O 3.37Å; G245-W257 PolarHBondContact N-O 2.78Å; S246-W257 PolarHBondContact O-N 3.26Å; I248-W257 HydrophobicContact CD1-CB 4.4Å
258R98.3Very high95.6Very high4 Ų431 Ų312%0.01518%0.178CC..EExtended strand (participates in β ladder)trans-115.1127.1167.9-61.5-57.6-53.6-106.46.3109.8G22 E23 I25 D244 L256 G262 L263 T266 G360G22-R258 CarbonylContact C-O 3.56Å; G22-R258 WeakPolarHBondContact CA-O 3.46Å; E23-R258 PolarHBondContact N-O 3Å; E23-R258 PolarHBondContact O-N 3.41Å; I25-R258 HydrophobicContact CD1-CG 4.02Å; D244-R258 WeakPolarHBondContact OD1-CA 3.45Å; D244-R258 IonicContact OD1-CZ 2.69Å; D244-R258 IonicContact OD1-NE 2.64Å; D244-R258 PolarHBondContact OD1-NE 2.69Å; D244-R258 IonicContact OD1-NH2 3.88Å; D244-R258 IonicContact OD2-CZ 3.19Å; D244-R258 IonicContact OD2-NE 3.36Å; D244-R258 PolarHBondContact OD2-NE 2.86Å; D244-R258 IonicContact OD2-NH2 2.84Å; D244-R258 PolarHBondContact OD2-NH2 2.88Å; L256-R258 HydrophobicContact CD2-CG 4.07Å; L256-R258 HydrophobicContact CG-CG 4.1Å; R258-G262 PolarHBondContact NH2-O 2.7Å; R258-L263 HydrophobicContact CB-CD1 4.17Å; R258-L263 HydrophobicContact CB-CD2 3.53Å; R258-L263 HydrophobicContact CB-CG 3.62Å; R258-L263 HydrophobicContact CG-CD2 3.93Å; R258-T266 PolarHBondContact NH1-OG1 3.19Å; R258-T266 PolarHBondContact NH2-OG1 3.33Å; R258-G360 PolarHBondContact NH1-O 3.21Å
259T98.1Very high95.2Very high31 Ų3135.7 Ų35.719%0.1920%0.202CC..EExtended strand (participates in β ladder)trans-68.2157171.559.20000110.2D244 E261 G262 L263D244-T259 HydrophobicContact CB-CG2 3.92Å; D244-T259 WeakPolarHBondContact CB-OG1 3.12Å; D244-T259 PolarHBondContact OD1-N 3.2Å; D244-T259 PolarHBondContact OD1-OG1 2.74Å; T259-E261 PolarHBondContact O-N 3.1Å; T259-G262 PolarHBondContact O-N 3.14Å; T259-G262 PolarHBondContact OG1-N 3.45Å; T259-L263 WeakPolarHBondContact O-CG 3.38Å; T259-L263 PolarHBondContact O-N 2.83Å
260A95.9Very high95Very high38 Ų3844 Ų4431%0.31424%0.238SC..Hα-helixtrans-58.1-38174.800000112.7K20 Y21 S264K20-A260 HydrophobicContact CB-CB 4.44Å; K20-A260 WeakPolarHBondContact O-CB 3.25Å; Y21-A260 PolarHBondContact O-N 3.43Å; A260-S264 PolarHBondContact O-N 3.27Å
261E94.8Very high94.8Very high120 Ų12046.8 Ų46.856%0.56125%0.251SS*.Hα-helixtrans-69.1-40.7174.8-169-163.6149.600112.3T259 L263 S264 R265T259-E261 PolarHBondContact O-N 3.1Å; E261-L263 VanDerWaalsContact C-N 3.33Å; E261-L263 PolarHBondContact O-N 3.32Å; E261-S264 PolarHBondContact O-N 3.28Å; E261-S264 PolarHBondContact O-OG 2.98Å; E261-R265 IonicContact OE1-CZ 3.78Å; E261-R265 VanDerWaalsContact OE1-CZ 3.27Å; E261-R265 IonicContact OE1-NH1 3.27Å; E261-R265 PolarHBondContact OE1-NH1 3.17Å; E261-R265 IonicContact OE1-NH2 3.81Å; E261-R265 PolarHBondContact OE1-NH2 3.02Å
262G94.5Very high94.7Very high0 Ų046.5 Ų46.50%025%0.248CC..Hα-helixtrans-58.3-46.7174.200000112.1D244 R258 T259 S264 R265 T266D244-G262 VanDerWaalsContact OD2-CA 3.27Å; D244-G262 WeakPolarHBondContact OD2-CA 3.45Å; R258-G262 PolarHBondContact NH2-O 2.7Å; T259-G262 PolarHBondContact O-N 3.14Å; T259-G262 PolarHBondContact OG1-N 3.45Å; G262-S264 VanDerWaalsContact C-N 3.27Å; G262-S264 PolarHBondContact O-N 3.45Å; G262-R265 PolarHBondContact O-N 2.75Å; G262-R265 VanDerWaalsContact O-N 3.12Å; G262-T266 PolarHBondContact O-N 3.21Å; G262-T266 PolarHBondContact O-OG1 2.93Å
263L93.1Very high94.8Very high34 Ų3447.2 Ų47.218%0.17824%0.244CC..Hα-helixtrans-62.7-29.8178.9-69.9169.7000113.6E23 R258 T259 E261 R265 T266E23-L263 HydrophobicContact CB-CD1 3.67Å; R258-L263 HydrophobicContact CB-CD1 4.17Å; R258-L263 HydrophobicContact CB-CD2 3.53Å; R258-L263 HydrophobicContact CB-CG 3.62Å; R258-L263 HydrophobicContact CG-CD2 3.93Å; T259-L263 WeakPolarHBondContact O-CG 3.38Å; T259-L263 PolarHBondContact O-N 2.83Å; E261-L263 VanDerWaalsContact C-N 3.33Å; E261-L263 PolarHBondContact O-N 3.32Å; L263-R265 VanDerWaalsContact C-N 3.25Å; L263-R265 PolarHBondContact O-N 3.12Å; L263-T266 PolarHBondContact O-N 3.28Å
264S92.1Very high94.8Very high94 Ų9448.8 Ų48.866%0.65726%0.257SS*.Hα-helixtrans-73.6-19.1177.869.50000113A260 E261 G262A260-S264 PolarHBondContact O-N 3.27Å; E261-S264 PolarHBondContact O-N 3.28Å; E261-S264 PolarHBondContact O-OG 2.98Å; G262-S264 VanDerWaalsContact C-N 3.27Å; G262-S264 PolarHBondContact O-N 3.45Å
265R90.8Very high94.6Very high143 Ų14348.8 Ų48.854%0.5426%0.256SS..Hα-helixtrans-96.1-15.2176.1-62.7-175.4-67.4-148.34.1113.5E261 G262 L263E261-R265 IonicContact OE1-CZ 3.78Å; E261-R265 VanDerWaalsContact OE1-CZ 3.27Å; E261-R265 IonicContact OE1-NH1 3.27Å; E261-R265 PolarHBondContact OE1-NH1 3.17Å; E261-R265 IonicContact OE1-NH2 3.81Å; E261-R265 PolarHBondContact OE1-NH2 3.02Å; G262-R265 PolarHBondContact O-N 2.75Å; G262-R265 VanDerWaalsContact O-N 3.12Å; L263-R265 VanDerWaalsContact C-N 3.25Å; L263-R265 PolarHBondContact O-N 3.12Å
266T89.6Confident94.5Very high17 Ų1750.1 Ų50.110%0.10426%0.261CS..SBendtrans-71.1148.1177.4-60.30000111R258 G262 L263 A359R258-T266 PolarHBondContact NH1-OG1 3.19Å; R258-T266 PolarHBondContact NH2-OG1 3.33Å; G262-T266 PolarHBondContact O-N 3.21Å; G262-T266 PolarHBondContact O-OG1 2.93Å; L263-T266 PolarHBondContact O-N 3.28Å; T266-A359 HydrophobicContact CG2-CB 4.26Å; T266-A359 WeakPolarHBondContact CG2-O 3.34Å
267P92.4Very high94.3Very high13 Ų1355.1 Ų55.18%0.08428%0.284CS..PPolyproline II helixtrans-49.7145.4169.7-28.535.2000112.9H271 L272 A359 Y362 D364 A365P267-H271 HydrophobicContact CB-CB 4.45Å; P267-L272 HydrophobicContact CB-CD2 4.2Å; P267-A359 WeakPolarHBondContact O-CB 3.24Å; P267-Y362 HydrophobicContact CG-CG 4.48Å; P267-D364 WeakPolarHBondContact CG-O 3.44Å; P267-A365 HydrophobicContact CG-CB 3.92Å
268T92.8Very high94.2Very high85 Ų8560.6 Ų60.652%0.52131%0.31SS..PPolyproline II helixtrans-87.5160.817266.50000110.7K270 H271 L272T268-K270 PolarHBondContact O-N 3.39Å; T268-K270 PolarHBondContact OG1-N 3.23Å; T268-H271 WeakPolarHBondContact O-CA 3.25Å; T268-H271 VanDerWaalsContact O-CB 3.3Å; T268-H271 WeakPolarHBondContact O-CB 3.13Å; T268-H271 PolarHBondContact O-N 2.82Å; T268-H271 PolarHBondContact OG1-N 3.39Å; T268-H271 VanDerWaalsContact OG1-N 3.09Å; T268-L272 PolarHBondContact O-N 3.07Å
269L91.1Very high93.9Very high98 Ų9861.9 Ų61.951%0.51332%0.317SS..Hα-helixtrans-57.6-32.6170.5-67.8178.1000112.1H271 L272 E273 M298 C357L269-H271 VanDerWaalsContact C-N 3.34Å; L269-L272 PolarHBondContact O-N 3.18Å; L269-E273 WeakPolarHBondContact O-CB 3.23Å; L269-E273 PolarHBondContact O-N 2.91Å; L269-M298 WeakPolarHBondContact O-CE 2.92Å; L269-C357 WeakPolarHBondContact CD2-O 3.45Å
270K93.3Very high93.8Very high178 Ų17862 Ų6277%0.77432%0.316SS*.Hα-helixtrans-65.5-38.3174.3-174.5-179.5176.6-175.70111.6T268 E273 A274T268-K270 PolarHBondContact O-N 3.39Å; T268-K270 PolarHBondContact OG1-N 3.23Å; K270-E273 PolarHBondContact O-N 3.4Å; K270-A274 PolarHBondContact O-N 2.87Å
271H94.4Very high93.7Very high63 Ų6363.8 Ų63.829%0.29233%0.332SS..Hα-helixtrans-64.3-47.9174.6-175.575000111.7P267 T268 L269 E273 A274 L275 A365P267-H271 HydrophobicContact CB-CB 4.45Å; T268-H271 WeakPolarHBondContact O-CA 3.25Å; T268-H271 VanDerWaalsContact O-CB 3.3Å; T268-H271 WeakPolarHBondContact O-CB 3.13Å; T268-H271 PolarHBondContact O-N 2.82Å; T268-H271 PolarHBondContact OG1-N 3.39Å; T268-H271 VanDerWaalsContact OG1-N 3.09Å; L269-H271 VanDerWaalsContact C-N 3.34Å; H271-E273 VanDerWaalsContact C-N 3.25Å; H271-E273 PolarHBondContact O-N 3.42Å; H271-A274 WeakPolarHBondContact O-CB 3.41Å; H271-A274 PolarHBondContact O-N 3.26Å; H271-A274 VanDerWaalsContact O-N 3.09Å; H271-L275 WeakPolarHBondContact NE2-CD1 3.43Å; H271-L275 PolarHBondContact O-N 2.52Å; H271-A365 PolarHBondContact NE2-O 3.42Å
272L94.3Very high93.6Very high9 Ų961.1 Ų61.15%0.04733%0.33CS..Hα-helixtrans-60.4-37.3176.8-62.3-177.2000111.9P267 T268 L269 R276 M298 A359 Y362P267-L272 HydrophobicContact CB-CD2 4.2Å; T268-L272 PolarHBondContact O-N 3.07Å; L269-L272 PolarHBondContact O-N 3.18Å; L272-R276 PolarHBondContact O-N 2.87Å; L272-M298 HydrophobicContact CB-CE 4.01Å; L272-M298 HydrophobicContact CB-SD 3.87Å; L272-A359 HydrophobicContact CD1-CB 4.12Å; L272-Y362 HydrophobicContact CD1-CD2 4.48Å; L272-Y362 HydrophobicContact CD1-CE2 3.93Å; L272-Y362 HydrophobicContact CD2-CD1 4.5Å; L272-Y362 HydrophobicContact CD2-CD2 4.45Å; L272-Y362 HydrophobicContact CD2-CE1 4.07Å; L272-Y362 HydrophobicContact CD2-CE2 4Å
273E94.4Very high93.6Very high44 Ų4468.3 Ų68.321%0.20636%0.357CS..Hα-helixtrans-67.1-38.4174.6-177.452.4-153.600112.4L269 K270 H271 R276 Q277 M298L269-E273 WeakPolarHBondContact O-CB 3.23Å; L269-E273 PolarHBondContact O-N 2.91Å; K270-E273 PolarHBondContact O-N 3.4Å; H271-E273 VanDerWaalsContact C-N 3.25Å; H271-E273 PolarHBondContact O-N 3.42Å; E273-R276 VanDerWaalsContact CD-NE 3.33Å; E273-R276 WeakPolarHBondContact O-CB 3.22Å; E273-R276 PolarHBondContact O-N 3Å; E273-R276 IonicContact OE1-CZ 3.28Å; E273-R276 VanDerWaalsContact OE1-CZ 3.28Å; E273-R276 IonicContact OE1-NE 3.07Å; E273-R276 PolarHBondContact OE1-NE 2.8Å; E273-R276 VanDerWaalsContact OE1-NE 3.07Å; E273-R276 IonicContact OE1-NH2 2.66Å; E273-R276 PolarHBondContact OE1-NH2 2.8Å; E273-R276 IonicContact OE2-CZ 3.84Å; E273-R276 IonicContact OE2-NE 2.92Å; E273-R276 PolarHBondContact OE2-NE 3.32Å; E273-R276 IonicContact OE2-NH2 3.93Å; E273-Q277 VanDerWaalsContact O-CG 3.3Å; E273-Q277 WeakPolarHBondContact O-CG 3.14Å; E273-Q277 PolarHBondContact O-N 3.17Å; E273-Q277 PolarHBondContact OE1-NE2 3.12Å; E273-M298 VanDerWaalsContact CA-CE 3.48Å; E273-M298 HydrophobicContact CB-CE 3.47Å; E273-M298 VanDerWaalsContact CB-CE 3.47Å; E273-M298 HydrophobicContact CG-CE 4.38Å; E273-M298 VanDerWaalsContact N-CE 3.3Å; E273-M298 WeakPolarHBondContact OE2-CE 3.36Å
274A95.8Very high93.6Very high35 Ų3567 Ų6729%0.28935%0.35SS..Hα-helixtrans-63.5-47.5175.100000111.3K270 H271 R276 Q277 E278K270-A274 PolarHBondContact O-N 2.87Å; H271-A274 WeakPolarHBondContact O-CB 3.41Å; H271-A274 PolarHBondContact O-N 3.26Å; H271-A274 VanDerWaalsContact O-N 3.09Å; A274-R276 VanDerWaalsContact C-N 3.27Å; A274-R276 PolarHBondContact O-N 2.9Å; A274-Q277 WeakPolarHBondContact O-CA 3.35Å; A274-Q277 WeakPolarHBondContact O-CB 3.48Å; A274-Q277 PolarHBondContact O-N 3.02Å; A274-E278 WeakPolarHBondContact O-CG 3.49Å; A274-E278 PolarHBondContact O-N 3.18Å
275L95.6Very high93.6Very high14 Ų1464.4 Ų64.47%0.07333%0.328CS..Hα-helixtrans-58-40175.5-68.8177.5000112.1H271 E278 I279 P367H271-L275 WeakPolarHBondContact NE2-CD1 3.43Å; H271-L275 PolarHBondContact O-N 2.52Å; L275-E278 PolarHBondContact O-N 2.85Å; L275-I279 WeakPolarHBondContact O-CG1 3.49Å; L275-I279 PolarHBondContact O-N 3.49Å; L275-I279 VanDerWaalsContact O-N 3.14Å; L275-P367 HydrophobicContact CD2-CG 4.41Å
276R95.2Very high93.7Very high30 Ų3057.9 Ų57.911%0.11330%0.304CS..Hα-helixtrans-60.7-45.4173.4-178.1-17082.474.510.7111.9L272 E273 A274 E278 I279 N280 F295 P296 L355L272-R276 PolarHBondContact O-N 2.87Å; E273-R276 VanDerWaalsContact CD-NE 3.33Å; E273-R276 WeakPolarHBondContact O-CB 3.22Å; E273-R276 PolarHBondContact O-N 3Å; E273-R276 IonicContact OE1-CZ 3.28Å; E273-R276 VanDerWaalsContact OE1-CZ 3.28Å; E273-R276 IonicContact OE1-NE 3.07Å; E273-R276 PolarHBondContact OE1-NE 2.8Å; E273-R276 VanDerWaalsContact OE1-NE 3.07Å; E273-R276 IonicContact OE1-NH2 2.66Å; E273-R276 PolarHBondContact OE1-NH2 2.8Å; E273-R276 IonicContact OE2-CZ 3.84Å; E273-R276 IonicContact OE2-NE 2.92Å; E273-R276 PolarHBondContact OE2-NE 3.32Å; E273-R276 IonicContact OE2-NH2 3.93Å; A274-R276 VanDerWaalsContact C-N 3.27Å; A274-R276 PolarHBondContact O-N 2.9Å; R276-E278 VanDerWaalsContact C-N 3.34Å; R276-I279 PolarHBondContact O-N 2.8Å; R276-N280 PolarHBondContact NH1-ND2 3.47Å; R276-N280 PolarHBondContact O-N 2.84Å; R276-N280 VanDerWaalsContact O-N 3.11Å; R276-F295 HydrophobicContact CG-CB 3.97Å; R276-F295 PolarHBondContact NH1-O 3.02Å; R276-P296 VanDerWaalsContact CD-O 3.27Å; R276-P296 WeakPolarHBondContact CD-O 3.17Å; R276-L355 HydrophobicContact CB-CD1 3.65Å; R276-L355 HydrophobicContact CG-CD1 3.46Å; R276-L355 VanDerWaalsContact CG-CD1 3.46Å
277Q95.8Very high93.6Very high105 Ų10558.3 Ų58.349%0.49131%0.307SS..Hα-helixtrans-64.6-39.5179.8-72.1173.8900111.5E273 A274 N280 A281E273-Q277 VanDerWaalsContact O-CG 3.3Å; E273-Q277 WeakPolarHBondContact O-CG 3.14Å; E273-Q277 PolarHBondContact O-N 3.17Å; E273-Q277 PolarHBondContact OE1-NE2 3.12Å; A274-Q277 WeakPolarHBondContact O-CA 3.35Å; A274-Q277 WeakPolarHBondContact O-CB 3.48Å; A274-Q277 PolarHBondContact O-N 3.02Å; Q277-N280 PolarHBondContact O-N 3.12Å; Q277-A281 VanDerWaalsContact O-CB 3.27Å; Q277-A281 WeakPolarHBondContact O-CB 3.22Å; Q277-A281 PolarHBondContact O-N 3.12Å
278E95.3Very high93.2Very high118 Ų11860.2 Ų60.255%0.55132%0.318SS*.Hα-helixtrans-59.9-46.7174.9-72.4170.6-167.200112A274 L275 R276 N280 A281 A282A274-E278 WeakPolarHBondContact O-CG 3.49Å; A274-E278 PolarHBondContact O-N 3.18Å; L275-E278 PolarHBondContact O-N 2.85Å; R276-E278 VanDerWaalsContact C-N 3.34Å; E278-N280 VanDerWaalsContact C-N 3.33Å; E278-N280 PolarHBondContact O-N 3.36Å; E278-A281 PolarHBondContact O-N 2.84Å; E278-A282 PolarHBondContact O-N 2.69Å
279I93.7Very high92.7Very high30 Ų3058.2 Ų58.215%0.15432%0.315CS..Hα-helixtrans-60.4-44.6176.3-64.2164.3000111.2L275 R276 A281 A282 P284 F295 P368L275-I279 WeakPolarHBondContact O-CG1 3.49Å; L275-I279 PolarHBondContact O-N 3.49Å; L275-I279 VanDerWaalsContact O-N 3.14Å; R276-I279 PolarHBondContact O-N 2.8Å; I279-A281 VanDerWaalsContact C-N 3.32Å; I279-A281 PolarHBondContact O-N 3.29Å; I279-A282 WeakPolarHBondContact O-CB 3.21Å; I279-A282 PolarHBondContact O-N 3.09Å; I279-P284 VanDerWaalsContact O-CD 3.27Å; I279-P284 WeakPolarHBondContact O-CD 3.17Å; I279-F295 HydrophobicContact CD1-CE2 4.48Å; I279-F295 HydrophobicContact CG2-CD2 3.86Å; I279-F295 HydrophobicContact CG2-CE2 3.9Å; I279-P368 HydrophobicContact CD1-CG 3.34Å
280N94.7Very high92.4Very high33 Ų3361 Ų6118%0.17632%0.323CS..Hα-helixtrans-68-34.3179-73.3-4.8000112R276 Q277 E278 A282 R283 A294 F295R276-N280 PolarHBondContact NH1-ND2 3.47Å; R276-N280 PolarHBondContact O-N 2.84Å; R276-N280 VanDerWaalsContact O-N 3.11Å; Q277-N280 PolarHBondContact O-N 3.12Å; E278-N280 VanDerWaalsContact C-N 3.33Å; E278-N280 PolarHBondContact O-N 3.36Å; N280-A282 VanDerWaalsContact C-N 3.28Å; N280-A282 PolarHBondContact O-N 3.45Å; N280-R283 PolarHBondContact O-N 3.18Å; N280-A294 WeakPolarHBondContact OD1-CA 3.31Å; N280-F295 PolarHBondContact ND2-O 2.82Å; N280-F295 PolarHBondContact OD1-N 2.93Å
281A94.5Very high92.2Very high77 Ų7755.2 Ų55.264%0.63630%0.301SS*.Hα-helixtrans-68.3-27.2176.400000112.5Q277 E278 I279 R283Q277-A281 VanDerWaalsContact O-CB 3.27Å; Q277-A281 WeakPolarHBondContact O-CB 3.22Å; Q277-A281 PolarHBondContact O-N 3.12Å; E278-A281 PolarHBondContact O-N 2.84Å; I279-A281 VanDerWaalsContact C-N 3.32Å; I279-A281 PolarHBondContact O-N 3.29Å; A281-R283 PolarHBondContact O-N 2.83Å
282A92.9Very high92.1Very high63 Ų6354 Ų5452%0.52130%0.298SS..THydrogen-bonded Turntrans-68.1-7.717000000113.4E278 I279 N280E278-A282 PolarHBondContact O-N 2.69Å; I279-A282 WeakPolarHBondContact O-CB 3.21Å; I279-A282 PolarHBondContact O-N 3.09Å; N280-A282 VanDerWaalsContact C-N 3.28Å; N280-A282 PolarHBondContact O-N 3.45Å
283R93.2Very high92.2Very high151 Ų15153.7 Ų53.757%0.5730%0.296SS*.  trans47.858.2177-61.1-177.965.8-163.5-2.7112.7N280 A281 Q285 T292N280-R283 PolarHBondContact O-N 3.18Å; A281-R283 PolarHBondContact O-N 2.83Å; R283-Q285 PolarHBondContact O-N 3.43Å; R283-Q285 PolarHBondContact O-NE2 2.81Å; R283-T292 HydrophobicContact CB-CG2 3.84Å; R283-T292 HydrophobicContact CG-CG2 4.31Å
284P93.3Very high92.2Very high7 Ų753.1 Ų53.15%0.04530%0.299CS..PPolyproline II helixtrans-56.9136.3177.923.2-32.5000110.7I279 T292 L293 F421I279-P284 VanDerWaalsContact O-CD 3.27Å; I279-P284 WeakPolarHBondContact O-CD 3.17Å; P284-T292 WeakPolarHBondContact O-CA 3.42Å; P284-L293 HydrophobicContact CG-CB 4.2Å; P284-L293 PolarHBondContact O-N 3.4Å; P284-F421 HydrophobicContact CB-CB 4.32Å; P284-F421 HydrophobicContact CB-CD1 3.58Å; P284-F421 HydrophobicContact CB-CE1 4.29Å; P284-F421 HydrophobicContact CB-CG 4.3Å; P284-F421 HydrophobicContact CG-CD1 4.19Å; P284-F421 HydrophobicContact CG-CE1 4.45Å
285Q93.2Very high92Very high40 Ų4051.7 Ų51.719%0.18729%0.286CS..BIsolated β-bridgetrans-101143-178.2-61.2-55.2-48.600111.5R283 P287 T292 Q422R283-Q285 PolarHBondContact O-N 3.43Å; R283-Q285 PolarHBondContact O-NE2 2.81Å; Q285-P287 WeakPolarHBondContact O-CD 3.47Å; Q285-T292 PolarHBondContact NE2-OG1 3.04Å; Q285-T292 PolarHBondContact OE1-OG1 2.85Å; Q285-Q422 PolarHBondContact N-O 2.97Å
286C91.9Very high91.7Very high6 Ų652.1 Ų52.14%0.04129%0.29CS..PPolyproline II helixtrans-69.8120.4164.5-176.80000108.9V288 G289 F290 N291 L293 G320C286-V288 PolarHBondContact O-N 2.88Å; C286-G289 PolarHBondContact SG-N 3.27Å; C286-F290 WeakPolarHBondContact O-CA 3.36Å; C286-F290 PolarHBondContact O-N 2.91Å; C286-N291 WeakPolarHBondContact CB-O 3.35Å; C286-N291 WeakPolarHBondContact CB-OD1 3.37Å; C286-N291 PolarHBondContact N-O 3.08Å; C286-L293 HydrophobicContact CB-CD2 4.06Å; C286-L293 HydrophobicContact CB-CG 4.33Å; C286-G320 PolarHBondContact SG-N 2.84Å
287P87.4Confident91.2Very high26 Ų2653.4 Ų53.417%0.16930%0.304CS..THydrogen-bonded Turntrans-58.9-27.7-174.6-12.915.6000114.1Q285 V318 M343 Q422Q285-P287 WeakPolarHBondContact O-CD 3.47Å; P287-V318 WeakPolarHBondContact CD-O 3.23Å; P287-M343 HydrophobicContact CB-CG 4.42Å; P287-M343 HydrophobicContact CB-SD 3.67Å; P287-M343 HydrophobicContact CG-CG 4.4Å; P287-M343 HydrophobicContact CG-SD 4.26Å; P287-Q422 HydrophobicContact CB-CG 4.03Å; P287-Q422 HydrophobicContact CG-CG 3.59Å
288V84.8Confident90.3Very high52 Ų5250.6 Ų50.632%0.31529%0.291SS..THydrogen-bonded Turntrans-114.7-31.4-175.3-161.40000113.1C286 F290 W324 P342C286-V288 PolarHBondContact O-N 2.88Å; V288-F290 WeakPolarHBondContact O-CD2 3.42Å; V288-F290 WeakPolarHBondContact O-CE2 3.41Å; V288-W324 HydrophobicContact CB-CZ3 4.25Å; V288-W324 HydrophobicContact CG1-CH2 3.92Å; V288-W324 HydrophobicContact CG1-CZ3 3.49Å; V288-W324 VanDerWaalsContact CG1-CZ3 3.49Å; V288-P342 HydrophobicContact CG2-CB 3.98Å; V288-P342 HydrophobicContact CG2-CG 4.28Å
289G82.3Confident89.1Confident43 Ų4355.1 Ų55.144%0.44330%0.303SS..THydrogen-bonded Turntrans-83.1-14.2177.900000113.7C286 N291C286-G289 PolarHBondContact SG-N 3.27Å; G289-N291 PolarHBondContact O-N 3.43Å
290F84.3Confident87.7Confident157 Ų15758.9 Ų58.969%0.68932%0.315SS*.  trans51.920.6-176.3-56.2-75.4000114.5C286 V288C286-F290 WeakPolarHBondContact O-CA 3.36Å; C286-F290 PolarHBondContact O-N 2.91Å; V288-F290 WeakPolarHBondContact O-CD2 3.42Å; V288-F290 WeakPolarHBondContact O-CE2 3.41Å
291N89.3Confident86.3Confident57 Ų5761.8 Ų61.831%0.30533%0.326SS..PPolyproline II helixtrans-98.7144175.463.3-59.5000110.4C286 G289 L293C286-N291 WeakPolarHBondContact CB-O 3.35Å; C286-N291 WeakPolarHBondContact CB-OD1 3.37Å; C286-N291 PolarHBondContact N-O 3.08Å; G289-N291 PolarHBondContact O-N 3.43Å; N291-L293 PolarHBondContact O-N 2.83Å
292T93.4Very high84.9Confident38 Ų3862.9 Ų62.923%0.23332%0.321CS..BIsolated β-bridgetrans-71.4126.8174.4-54.10000110R283 P284 Q285R283-T292 HydrophobicContact CB-CG2 3.84Å; R283-T292 HydrophobicContact CG-CG2 4.31Å; P284-T292 WeakPolarHBondContact O-CA 3.42Å; Q285-T292 PolarHBondContact NE2-OG1 3.04Å; Q285-T292 PolarHBondContact OE1-OG1 2.85Å
293L95Very high83.9Confident1 Ų164.6 Ų64.61%0.00533%0.325CS..PPolyproline II helixtrans-86.9150.1176.6-54.3177.5000110.5P284 C286 N291 K307 P309 V318 G320P284-L293 HydrophobicContact CG-CB 4.2Å; P284-L293 PolarHBondContact O-N 3.4Å; C286-L293 HydrophobicContact CB-CD2 4.06Å; C286-L293 HydrophobicContact CB-CG 4.33Å; N291-L293 PolarHBondContact O-N 2.83Å; L293-K307 CarbonylContact C-O 3.59Å; L293-K307 WeakPolarHBondContact CA-O 3.45Å; L293-P309 HydrophobicContact CB-CG 4.15Å; L293-V318 HydrophobicContact CD1-CG1 4.05Å; L293-G320 VanDerWaalsContact CD2-CA 3.46Å
294A94.3Very high83.3Confident33 Ų3360.2 Ų60.227%0.27332%0.317SS..  trans-151131.6177.200000111.2N280 K307 P309N280-A294 WeakPolarHBondContact OD1-CA 3.31Å; A294-K307 PolarHBondContact N-O 3.09Å; A294-P309 WeakPolarHBondContact O-CD 3.31Å
295F93Very high82.7Confident4 Ų462.6 Ų62.62%0.01833%0.329CS..PPolyproline II helixtrans-65.9133.7170-80.4-82.4000110.5R276 I279 N280 P309 L353 L355 V378 F421R276-F295 HydrophobicContact CG-CB 3.97Å; R276-F295 PolarHBondContact NH1-O 3.02Å; I279-F295 HydrophobicContact CD1-CE2 4.48Å; I279-F295 HydrophobicContact CG2-CD2 3.86Å; I279-F295 HydrophobicContact CG2-CE2 3.9Å; N280-F295 PolarHBondContact ND2-O 2.82Å; N280-F295 PolarHBondContact OD1-N 2.93Å; F295-P309 HydrophobicContact CD1-CG 4.43Å; F295-P309 HydrophobicContact CD2-CG 4.06Å; F295-P309 HydrophobicContact CE1-CG 4.32Å; F295-P309 HydrophobicContact CE2-CG 3.93Å; F295-P309 HydrophobicContact CG-CG 4.31Å; F295-P309 HydrophobicContact CZ-CB 4.39Å; F295-P309 HydrophobicContact CZ-CG 4.07Å; F295-L353 HydrophobicContact CE1-CB 3.72Å; F295-L353 HydrophobicContact CZ-CB 4.1Å; F295-L353 HydrophobicContact CZ-CD1 4.12Å; F295-L355 HydrophobicContact CB-CD1 4.05Å; F295-L355 HydrophobicContact CD1-CD1 4.16Å; F295-L355 HydrophobicContact CD1-CD2 4.38Å; F295-L355 HydrophobicContact CD1-CG 3.81Å; F295-L355 HydrophobicContact CE1-CD2 4.34Å; F295-L355 HydrophobicContact CE1-CG 4.16Å; F295-L355 HydrophobicContact CG-CD1 4.11Å; F295-L355 HydrophobicContact CG-CG 4.23Å; F295-V378 HydrophobicContact CE1-CG2 4.11Å; F295-V378 HydrophobicContact CZ-CG2 4.2Å; F295-F421 HydrophobicContact CE2-CE1 4.28Å; F295-F421 AromaticContact CE2-CZ 3.79Å; F295-F421 HydrophobicContact CE2-CZ 3.79Å; F295-F421 HydrophobicContact CZ-CZ 4.13Å
296P89.1Confident82.3Confident24 Ų2469 Ų6916%0.15636%0.359CS..PPolyproline II helixtrans-64.6163.8176.130.2-36.8000111.1R276 D305R276-P296 VanDerWaalsContact CD-O 3.27Å; R276-P296 WeakPolarHBondContact CD-O 3.17Å; P296-D305 WeakPolarHBondContact CB-OD2 3.38Å
297S83.9Confident82.3Confident57 Ų5774.6 Ų74.640%0.39938%0.382SS..PPolyproline II helixtrans-60.6151.4172.967.70000110.8R299S297-R299 PolarHBondContact O-N 2.94Å
298M76.3Confident82.6Confident46 Ų4673.4 Ų73.423%0.22738%0.375CS..SBendtrans-65.66.3-176.4-71.1-166-72.900115.4L269 L272 E273 C357L269-M298 WeakPolarHBondContact O-CE 2.92Å; L272-M298 HydrophobicContact CB-CE 4.01Å; L272-M298 HydrophobicContact CB-SD 3.87Å; E273-M298 VanDerWaalsContact CA-CE 3.48Å; E273-M298 HydrophobicContact CB-CE 3.47Å; E273-M298 VanDerWaalsContact CB-CE 3.47Å; E273-M298 HydrophobicContact CG-CE 4.38Å; E273-M298 VanDerWaalsContact N-CE 3.3Å; E273-M298 WeakPolarHBondContact OE2-CE 3.36Å; M298-C357 HydrophobicContact SD-CB 4.44Å
299R70.1Confident83.1Confident212 Ų21270.9 Ų70.980%0.836%0.36SS*.SBendtrans-72.9132.9170.6-67.7-172.4179.5-169.81109.1S297 K301S297-R299 PolarHBondContact O-N 2.94Å; R299-K301 PolarHBondContact O-N 3.12Å; R299-K301 VanDerWaalsContact O-N 3.15Å
300R64.1Low83.7Confident110 Ų11070.1 Ų70.142%0.41534%0.343SS..  trans-56.7120.9177.9-174.1177.1174.6161.6-2110.5S32 P34 D302S32-R300 PolarHBondContact O-NH1 3.04Å; P34-R300 VanDerWaalsContact CA-NH1 3.33Å; R300-D302 IonicContact CZ-OD1 3.84Å; R300-D302 IonicContact NE-OD1 3.68Å; R300-D302 PolarHBondContact NE-OD1 3.01Å; R300-D302 IonicContact NH2-OD1 3.14Å; R300-D302 PolarHBondContact NH2-OD1 2.83Å
301K66.2Low84.2Confident94 Ų9462.7 Ų62.741%0.40931%0.311SS..  trans-128.3131.9164.1-71.3-178.4177.4178.70107R299 T303 D305 W354R299-K301 PolarHBondContact O-N 3.12Å; R299-K301 VanDerWaalsContact O-N 3.15Å; K301-T303 VanDerWaalsContact C-N 3.31Å; K301-D305 VanDerWaalsContact NZ-CG 3.26Å; K301-D305 IonicContact NZ-OD1 2.75Å; K301-D305 PolarHBondContact NZ-OD1 3.44Å; K301-D305 IonicContact NZ-OD2 2.91Å; K301-D305 PolarHBondContact NZ-OD2 3.29Å; K301-W354 WeakPolarHBondContact O-CZ3 3.36Å
302D64.8Low84.5Confident99 Ų9960 Ų6053%0.52930%0.296SS..SBendtrans-85.2-10.5179.3-57.3-51.5000111.9R300R300-D302 IonicContact CZ-OD1 3.84Å; R300-D302 IonicContact NE-OD1 3.68Å; R300-D302 PolarHBondContact NE-OD1 3.01Å; R300-D302 IonicContact NH2-OD1 3.14Å; R300-D302 PolarHBondContact NH2-OD1 2.83Å
303T71.8Confident84.5Confident99 Ų9958.7 Ų58.761%0.60729%0.288SS*.SBendtrans-107.4131.6176.9550000111.2K301K301-T303 VanDerWaalsContact C-N 3.31Å
304P79.9Confident84.5Confident59 Ų5964.5 Ų64.538%0.38332%0.315SS..  trans-62.7141175.2-22.633.1000113W310 P352 W354P304-W310 HydrophobicContact CB-CZ2 4.38Å; P304-W310 HydrophobicContact CG-CZ2 4.1Å; P304-P352 HydrophobicContact CB-CB 4.5Å; P304-P352 HydrophobicContact CG-CB 4.16Å; P304-P352 HydrophobicContact CG-CG 4.25Å; P304-W354 HydrophobicContact CB-CH2 4.47Å; P304-W354 HydrophobicContact CG-CH2 4.09Å; P304-W354 HydrophobicContact CG-CZ2 4.07Å
305D82.3Confident84.5Confident58 Ų5864.2 Ų64.231%0.3131%0.31SS..  trans-77.3153.4170.1-72.8-24.4000110.1P296 K301 K307 Q308P296-D305 WeakPolarHBondContact CB-OD2 3.38Å; K301-D305 VanDerWaalsContact NZ-CG 3.26Å; K301-D305 IonicContact NZ-OD1 2.75Å; K301-D305 PolarHBondContact NZ-OD1 3.44Å; K301-D305 IonicContact NZ-OD2 2.91Å; K301-D305 PolarHBondContact NZ-OD2 3.29Å; D305-K307 VanDerWaalsContact C-N 3.29Å; D305-K307 PolarHBondContact O-N 2.69Å; D305-Q308 HydrophobicContact CB-CB 4.46Å; D305-Q308 VanDerWaalsContact N-OE1 3.08Å; D305-Q308 WeakPolarHBondContact O-CB 3.32Å; D305-Q308 PolarHBondContact O-N 3.01Å
306E85Confident84.7Confident174 Ų17464 Ų6481%0.81331%0.31SS*.THydrogen-bonded Turntrans-56.5-39.4-175.1-174.1-175.6-174.400113.5Q308E306-Q308 VanDerWaalsContact C-N 3.32Å
307K90.7Very high85Confident123 Ų12364.3 Ų64.354%0.53531%0.309SS..THydrogen-bonded Turntrans-88.23.1179.9-61.3-176.4-178.6179.40113.5L293 A294 D305L293-K307 CarbonylContact C-O 3.59Å; L293-K307 WeakPolarHBondContact CA-O 3.45Å; A294-K307 PolarHBondContact N-O 3.09Å; D305-K307 VanDerWaalsContact C-N 3.29Å; D305-K307 PolarHBondContact O-N 2.69Å
308Q93.1Very high85.6Confident1 Ų161.7 Ų61.71%0.00529%0.29CS..  trans-63.6136.2-176.5-174.8165.7-23.800110.2D305 E306 W310 L353 W354D305-Q308 HydrophobicContact CB-CB 4.46Å; D305-Q308 VanDerWaalsContact N-OE1 3.08Å; D305-Q308 WeakPolarHBondContact O-CB 3.32Å; D305-Q308 PolarHBondContact O-N 3.01Å; E306-Q308 VanDerWaalsContact C-N 3.32Å; Q308-W310 VanDerWaalsContact O-CD1 3.29Å; Q308-L353 PolarHBondContact NE2-O 2.98Å; Q308-W354 VanDerWaalsContact NE2-CE3 3.35Å; Q308-W354 VanDerWaalsContact NE2-CZ3 3.34Å
309P95.3Very high86.4Confident0 Ų059.5 Ų59.50%028%0.28CS..EExtended strand (participates in β ladder)trans-64.3141.9172.8-21.632.1000112.4L293 A294 F295 V318 L353 F421L293-P309 HydrophobicContact CB-CG 4.15Å; A294-P309 WeakPolarHBondContact O-CD 3.31Å; F295-P309 HydrophobicContact CD1-CG 4.43Å; F295-P309 HydrophobicContact CD2-CG 4.06Å; F295-P309 HydrophobicContact CE1-CG 4.32Å; F295-P309 HydrophobicContact CE2-CG 3.93Å; F295-P309 HydrophobicContact CG-CG 4.31Å; F295-P309 HydrophobicContact CZ-CB 4.39Å; F295-P309 HydrophobicContact CZ-CG 4.07Å; P309-V318 HydrophobicContact CB-CG1 3.69Å; P309-L353 HydrophobicContact CB-CB 4.33Å; P309-L353 HydrophobicContact CB-CD1 3.98Å; P309-L353 HydrophobicContact CB-CG 4.47Å; P309-L353 WeakPolarHBondContact O-CB 3.48Å; P309-L353 PolarHBondContact O-N 3.36Å; P309-F421 HydrophobicContact CB-CE1 4.36Å; P309-F421 HydrophobicContact CG-CE1 4.42Å
310W95Very high87.5Confident27 Ų2749.5 Ų49.510%0.10224%0.243CC..EExtended strand (participates in β ladder)trans-123.9152.7170.9-74.862.2000109.1P304 Q308 V318 H319 Y321 Y350 V351 P352P304-W310 HydrophobicContact CB-CZ2 4.38Å; P304-W310 HydrophobicContact CG-CZ2 4.1Å; Q308-W310 VanDerWaalsContact O-CD1 3.29Å; W310-V318 CarbonylContact O-C 3.54Å; W310-V318 VanDerWaalsContact O-CA 3.31Å; W310-V318 WeakPolarHBondContact O-CA 3.25Å; W310-V318 WeakPolarHBondContact O-CG1 3.38Å; W310-H319 PolarHBondContact N-O 2.84Å; W310-H319 PolarHBondContact O-N 2.7Å; W310-H319 VanDerWaalsContact O-O 3.1Å; W310-Y321 AromaticContact CD2-CD2 3.97Å; W310-Y321 HydrophobicContact CD2-CD2 3.97Å; W310-Y321 AromaticContact CE2-CD2 3.59Å; W310-Y321 HydrophobicContact CE3-CD2 4.14Å; W310-Y321 AromaticContact CH2-CD2 3.63Å; W310-Y321 HydrophobicContact CH2-CD2 3.63Å; W310-Y321 AromaticContact CH2-CE2 3.82Å; W310-Y321 HydrophobicContact CH2-CE2 3.82Å; W310-Y321 AromaticContact CZ2-CD2 3.42Å; W310-Y321 HydrophobicContact CZ2-CD2 3.42Å; W310-Y321 VanDerWaalsContact CZ2-CD2 3.42Å; W310-Y321 HydrophobicContact CZ2-CE2 4.01Å; W310-Y321 HydrophobicContact CZ2-CG 4.21Å; W310-Y321 AromaticContact CZ3-CD2 3.98Å; W310-Y321 HydrophobicContact CZ3-CD2 3.98Å; W310-Y321 HydrophobicContact CZ3-CE2 4.21Å; W310-Y350 HydrophobicContact CB-CD2 4.44Å; W310-Y350 HydrophobicContact CB-CE1 3.97Å; W310-Y350 HydrophobicContact CB-CE2 3.6Å; W310-Y350 VanDerWaalsContact CB-OH 3.26Å; W310-Y350 WeakPolarHBondContact CB-OH 3.25Å; W310-Y350 HydrophobicContact CD2-CD1 4.45Å; W310-Y350 AromaticContact CD2-CE1 4Å; W310-Y350 HydrophobicContact CD2-CE1 4Å; W310-Y350 AromaticContact CE3-CD1 3.55Å; W310-Y350 HydrophobicContact CE3-CD1 3.55Å; W310-Y350 AromaticContact CE3-CE1 3.53Å; W310-Y350 HydrophobicContact CE3-CE1 3.53Å; W310-Y350 HydrophobicContact CE3-CG 4.23Å; W310-Y350 HydrophobicContact CG-CE1 4.2Å; W310-Y350 HydrophobicContact CZ3-CD1 4.1Å; W310-Y350 HydrophobicContact CZ3-CE1 4.33Å; W310-V351 CarbonylContact C-O 3.57Å; W310-V351 VanDerWaalsContact CA-O 3.23Å; W310-V351 WeakPolarHBondContact CA-O 3.46Å; W310-P352 HydrophobicContact CD2-CB 4.04Å; W310-P352 HydrophobicContact CG-CB 4.45Å; W310-P352 HydrophobicContact CH2-CB 4.45Å; W310-P352 HydrophobicContact CH2-CG 4.24Å; W310-P352 HydrophobicContact CZ2-CB 3.94Å; W310-P352 HydrophobicContact CZ2-CG 4.15Å
311V95.7Very high88.8Confident0 Ų049.9 Ų49.90%025%0.245CC..EExtended strand (participates in β ladder)trans-128.4143.3-175.367.40000111.6L313 V318 Y350 V351 L353 T371 L419V311-L313 HydrophobicContact CG1-CD2 3.51Å; V311-L313 HydrophobicContact CG1-CG 3.97Å; V311-V318 HydrophobicContact CG2-CG2 4.41Å; V311-Y350 WeakPolarHBondContact O-CA 3.44Å; V311-Y350 VanDerWaalsContact O-CD2 3.31Å; V311-Y350 WeakPolarHBondContact O-CD2 3.43Å; V311-V351 HydrophobicContact CG1-CG2 3.8Å; V311-V351 PolarHBondContact N-O 2.88Å; V311-V351 PolarHBondContact O-N 2.97Å; V311-V351 VanDerWaalsContact O-N 3.13Å; V311-L353 HydrophobicContact CB-CD1 4.2Å; V311-L353 HydrophobicContact CB-CD2 3.79Å; V311-L353 HydrophobicContact CB-CG 4.05Å; V311-L353 HydrophobicContact CG1-CD2 3.36Å; V311-L353 HydrophobicContact CG1-CG 4.05Å; V311-T371 HydrophobicContact CG1-CG2 4.31Å; V311-L419 HydrophobicContact CB-CD2 4.25Å; V311-L419 HydrophobicContact CG2-CD2 3.72Å
312Y95.3Very high89.8Confident1 Ų146.5 Ų46.50%0.00423%0.231CC..EExtended strand (participates in β ladder)trans-83.6103.5161.8-73.1-89.7000109.4Q314 C315 G316 H317 H319 H322 R339 E340 C341 P342 Y350Y312-Q314 PolarHBondContact O-N 3.48Å; Y312-Q314 VanDerWaalsContact O-N 3.08Å; Y312-C315 VanDerWaalsContact CB-SG 3.56Å; Y312-C315 PolarHBondContact O-N 3.32Å; Y312-C315 VanDerWaalsContact O-N 3.09Å; Y312-G316 PolarHBondContact O-N 3.49Å; Y312-H317 PolarHBondContact N-O 3.46Å; Y312-H319 AromaticContact CD2-CD2 3.78Å; Y312-H319 HydrophobicContact CE2-CB 4.42Å; Y312-H319 AromaticContact CE2-CD2 3.68Å; Y312-H319 AromaticContact CE2-CG 3.95Å; Y312-H319 AromaticContact CE2-NE2 3.96Å; Y312-H322 AromaticContact CZ-NE2 3.67Å; Y312-H322 PolarHBondContact OH-CE1 2.78Å; Y312-H322 PolarHBondContact OH-NE2 2.91Å; Y312-R339 HydrophobicContact CD1-CB 4.45Å; Y312-R339 HydrophobicContact CE1-CB 3.65Å; Y312-E340 PolarHBondContact OH-O 2.71Å; Y312-C341 HydrophobicContact CD1-CB 3.77Å; Y312-C341 HydrophobicContact CD2-CB 4.19Å; Y312-C341 VanDerWaalsContact CE1-CA 3.5Å; Y312-C341 HydrophobicContact CE1-CB 4.11Å; Y312-C341 HydrophobicContact CG-CB 3.8Å; Y312-P342 WeakPolarHBondContact OH-CD 3.21Å; Y312-Y350 HydrophobicContact CD1-CD2 4Å; Y312-Y350 AromaticContact CD2-CD2 3.7Å; Y312-Y350 HydrophobicContact CD2-CD2 3.7Å; Y312-Y350 AromaticContact CD2-CE2 3.72Å; Y312-Y350 HydrophobicContact CD2-CE2 3.72Å; Y312-Y350 AromaticContact CE1-CD2 3.92Å; Y312-Y350 HydrophobicContact CE1-CD2 3.92Å; Y312-Y350 HydrophobicContact CE1-CG 4.34Å; Y312-Y350 AromaticContact CE2-CD2 3.59Å; Y312-Y350 HydrophobicContact CE2-CD2 3.59Å; Y312-Y350 AromaticContact CE2-CE2 3.4Å; Y312-Y350 HydrophobicContact CE2-CE2 3.4Å; Y312-Y350 VanDerWaalsContact CE2-CE2 3.4Å; Y312-Y350 AromaticContact CG-CD2 3.9Å; Y312-Y350 HydrophobicContact CG-CD2 3.9Å; Y312-Y350 HydrophobicContact CG-CE2 4.39Å; Y312-Y350 AromaticContact CZ-CD2 3.69Å; Y312-Y350 AromaticContact CZ-CE2 3.85Å
313L94.3Very high90.5Very high11 Ų1146.7 Ų46.76%0.05823%0.232CC..THydrogen-bonded Turntrans-67.6-12.2-172.1-71.6178.9000114.7V311 P349 V351 T371 P374 I417V311-L313 HydrophobicContact CG1-CD2 3.51Å; V311-L313 HydrophobicContact CG1-CG 3.97Å; L313-P349 HydrophobicContact CB-CB 4.38Å; L313-P349 HydrophobicContact CD1-CB 4.12Å; L313-P349 PolarHBondContact N-O 3.01Å; L313-V351 HydrophobicContact CD1-CG1 4.16Å; L313-V351 HydrophobicContact CD1-CG2 3.64Å; L313-V351 HydrophobicContact CD2-CG2 4.2Å; L313-V351 HydrophobicContact CG-CG2 3.84Å; L313-T371 HydrophobicContact CD2-CG2 3.79Å; L313-P374 HydrophobicContact CD1-CB 4.34Å; L313-P374 WeakPolarHBondContact CD1-O 3.35Å; L313-I417 HydrophobicContact CD2-CG2 3.87Å; L313-I417 WeakPolarHBondContact O-CD1 3.48Å
314Q93.6Very high90.7Very high123 Ų12349.4 Ų49.458%0.57523%0.231SC*.THydrogen-bonded Turntrans-79.5-23.2174.4-168.459.937.200113.2Y312 A346Y312-Q314 PolarHBondContact O-N 3.48Å; Y312-Q314 VanDerWaalsContact O-N 3.08Å; Q314-A346 HydrophobicContact CB-CB 4.36Å; Q314-A346 HydrophobicContact CG-CB 4.11Å
315C95.3Very high90.1Very high26 Ų2649.5 Ų49.518%0.17624%0.242CC..THydrogen-bonded Turntrans-137.6-8.2-172.665.30000115.2Y312 H317 C341 C344 A346 I420Y312-C315 VanDerWaalsContact CB-SG 3.56Å; Y312-C315 PolarHBondContact O-N 3.32Å; Y312-C315 VanDerWaalsContact O-N 3.09Å; C315-H317 PolarHBondContact O-N 2.95Å; C315-H317 PolarHBondContact SG-ND1 3.34Å; C315-C341 VanDerWaalsContact SG-SG 3.66Å; C315-C344 PolarHBondContact SG-SG 3.05Å; C315-A346 HydrophobicContact CB-CB 4.02Å; C315-I420 WeakPolarHBondContact O-CD1 3.39Å
316G96.1Very high89.2Confident0 Ų049.8 Ų49.80%024%0.244CC..  trans82.1-6.4175.200000114.8Y312 V318 R418 I420Y312-G316 PolarHBondContact O-N 3.49Å; G316-V318 PolarHBondContact O-N 3Å; G316-R418 VanDerWaalsContact CA-O 3.25Å; G316-R418 WeakPolarHBondContact CA-O 3.27Å; G316-I420 PolarHBondContact O-N 3.28Å
317H96.4Very high87.8Confident31 Ų3149.5 Ų49.514%0.14424%0.242CC..BIsolated β-bridgetrans-62.5127.5177.7-72.1110.8000111.6Y312 C315Y312-H317 PolarHBondContact N-O 3.46Å; C315-H317 PolarHBondContact O-N 2.95Å; C315-H317 PolarHBondContact SG-ND1 3.34Å
318V96.1Very high85.8Confident1 Ų155.6 Ų55.61%0.00626%0.262CS..EExtended strand (participates in β ladder)trans-97.9133.8-178.8-177.20000110.9P287 L293 P309 W310 V311 G316 L353 L419 I420 F421P287-V318 WeakPolarHBondContact CD-O 3.23Å; L293-V318 HydrophobicContact CD1-CG1 4.05Å; P309-V318 HydrophobicContact CB-CG1 3.69Å; W310-V318 CarbonylContact O-C 3.54Å; W310-V318 VanDerWaalsContact O-CA 3.31Å; W310-V318 WeakPolarHBondContact O-CA 3.25Å; W310-V318 WeakPolarHBondContact O-CG1 3.38Å; V311-V318 HydrophobicContact CG2-CG2 4.41Å; G316-V318 PolarHBondContact O-N 3Å; V318-L353 HydrophobicContact CG1-CD1 4.3Å; V318-L353 HydrophobicContact CG2-CD1 4.17Å; V318-L419 HydrophobicContact CG2-CB 4.09Å; V318-L419 HydrophobicContact CG2-CD2 3.99Å; V318-I420 PolarHBondContact N-O 2.92Å; V318-F421 HydrophobicContact CB-CD1 3.95Å; V318-F421 HydrophobicContact CB-CE1 4.1Å; V318-F421 HydrophobicContact CB-CG 4.37Å; V318-F421 HydrophobicContact CG1-CD1 3.78Å; V318-F421 HydrophobicContact CG1-CE1 3.56Å; V318-F421 HydrophobicContact CG1-CZ 4.23Å; V318-F421 HydrophobicContact CG2-CD1 4.2Å; V318-F421 HydrophobicContact CG2-CD2 4.36Å; V318-F421 HydrophobicContact CG2-CE1 4.12Å; V318-F421 HydrophobicContact CG2-CE2 4.24Å; V318-F421 HydrophobicContact CG2-CG 4.34Å; V318-F421 HydrophobicContact CG2-CZ 4.11Å
319H93.9Very high83.6Confident1 Ų164.6 Ų64.61%0.00530%0.304CS..EExtended strand (participates in β ladder)trans-135.4169.5-179.7-73.2-117.4000110.3W310 Y312 Y350W310-H319 PolarHBondContact N-O 2.84Å; W310-H319 PolarHBondContact O-N 2.7Å; W310-H319 VanDerWaalsContact O-O 3.1Å; Y312-H319 AromaticContact CD2-CD2 3.78Å; Y312-H319 HydrophobicContact CE2-CB 4.42Å; Y312-H319 AromaticContact CE2-CD2 3.68Å; Y312-H319 AromaticContact CE2-CG 3.95Å; Y312-H319 AromaticContact CE2-NE2 3.96Å; H319-Y350 HydrophobicContact CB-CE2 4.32Å; H319-Y350 WeakPolarHBondContact CB-OH 3.48Å
320G93Very high81.5Confident2 Ų270.1 Ų70.12%0.02133%0.33CS..EExtended strand (participates in β ladder)trans-82.2160160.700000110.9C286 L293 H322 Y350C286-G320 PolarHBondContact SG-N 2.84Å; L293-G320 VanDerWaalsContact CD2-CA 3.46Å; G320-H322 PolarHBondContact O-N 3.07Å; G320-Y350 PolarHBondContact O-OH 3.13Å
321Y90.9Very high78.9Confident117 Ų11780.4 Ų80.446%0.45937%0.368SS..  trans-53.3137176.6-180-106.9000111.8W310W310-Y321 AromaticContact CD2-CD2 3.97Å; W310-Y321 HydrophobicContact CD2-CD2 3.97Å; W310-Y321 AromaticContact CE2-CD2 3.59Å; W310-Y321 HydrophobicContact CE3-CD2 4.14Å; W310-Y321 AromaticContact CH2-CD2 3.63Å; W310-Y321 HydrophobicContact CH2-CD2 3.63Å; W310-Y321 AromaticContact CH2-CE2 3.82Å; W310-Y321 HydrophobicContact CH2-CE2 3.82Å; W310-Y321 AromaticContact CZ2-CD2 3.42Å; W310-Y321 HydrophobicContact CZ2-CD2 3.42Å; W310-Y321 VanDerWaalsContact CZ2-CD2 3.42Å; W310-Y321 HydrophobicContact CZ2-CE2 4.01Å; W310-Y321 HydrophobicContact CZ2-CG 4.21Å; W310-Y321 AromaticContact CZ3-CD2 3.98Å; W310-Y321 HydrophobicContact CZ3-CD2 3.98Å; W310-Y321 HydrophobicContact CZ3-CE2 4.21Å
322H86.5Confident76.2Confident24 Ų2489.5 Ų89.511%0.11141%0.411CS..  trans-143.6169.716962.687.3000109.2Y312 G320 R339 Y350Y312-H322 AromaticContact CZ-NE2 3.67Å; Y312-H322 PolarHBondContact OH-CE1 2.78Å; Y312-H322 PolarHBondContact OH-NE2 2.91Å; G320-H322 PolarHBondContact O-N 3.07Å; H322-R339 PolarHBondContact O-NH1 3.25Å; H322-Y350 AromaticContact CD2-CZ 3.83Å; H322-Y350 PolarHBondContact CD2-OH 2.94Å; H322-Y350 AromaticContact NE2-CE1 3.92Å; H322-Y350 AromaticContact NE2-CZ 3.71Å
323N79.8Confident73.9Confident103 Ų10393 Ų9355%0.55145%0.448SS*.  trans-119.52.2178.561.8-1.6000113.6N326N323-N326 WeakPolarHBondContact O-CB 3.09Å
324W77Confident71.4Confident156 Ų156102.6 Ų102.659%0.59148%0.483SS*.THydrogen-bonded Turntrans-66.3149178.8-47.6-26.9000112.4V288 N326V288-W324 HydrophobicContact CB-CZ3 4.25Å; V288-W324 HydrophobicContact CG1-CH2 3.92Å; V288-W324 HydrophobicContact CG1-CZ3 3.49Å; V288-W324 VanDerWaalsContact CG1-CZ3 3.49Å; W324-N326 PolarHBondContact O-N 3.2Å
325G65.9Low68.9Low60 Ų60105.9 Ų105.962%0.61950%0.498SS*.THydrogen-bonded Turntrans75.67.2-179.200000114.6H327G325-H327 PolarHBondContact O-N 2.69Å
326N64.7Low67Low65 Ų65107.3 Ų107.335%0.34852%0.517SS..  trans-76.986.2171.6-151.336.5000108.7N323 W324 E330N323-N326 WeakPolarHBondContact O-CB 3.09Å; W324-N326 PolarHBondContact O-N 3.2Å; N326-E330 PolarHBondContact ND2-OE1 3.06Å; N326-E330 VanDerWaalsContact ND2-OE1 3.11Å
327H55.3Low65.5Low168 Ų168113.2 Ų113.278%0.77854%0.54SS*.  trans-64.2138.5170.2-80.5-79.8000109.1G325 E329G325-H327 PolarHBondContact O-N 2.69Å; H327-E329 PolarHBondContact O-N 2.92Å
328R48.2Very low64.9Low251 Ų251117.5 Ų117.595%0.94756%0.563SS**SBendtrans-59.517.8-166.1-109.8177.4175-177.8-1.7117.6E330R328-E330 PolarHBondContact O-N 3.3Å
329E48Very low64.5Low190 Ų190117.7 Ų117.789%0.88856%0.564SS**  trans-84.146178.3-66.3179.4-176.200111.5H327 R331H327-E329 PolarHBondContact O-N 2.92Å; E329-R331 PolarHBondContact O-N 3.14Å
330E49.5Very low64.4Low116 Ų116121.3 Ų121.354%0.54258%0.581SS.*  trans-93.383.2167.3-75.8-175.4160.400108.2N326 R328 R337N326-E330 PolarHBondContact ND2-OE1 3.06Å; N326-E330 VanDerWaalsContact ND2-OE1 3.11Å; R328-E330 PolarHBondContact O-N 3.3Å; E330-R337 IonicContact OE1-CZ 3.62Å; E330-R337 IonicContact OE1-NE 3.27Å; E330-R337 IonicContact OE1-NH2 3.95Å; E330-R337 PolarHBondContact OE1-NH2 2.88Å; E330-R337 VanDerWaalsContact OE1-NH2 3.14Å
331R41.2Very low64.4Low243 Ų243121.2 Ų121.292%0.91758%0.58SS**SBendtrans-132.5-14164-93.7-167.4179.4-159-1.2117.1E329E329-R331 PolarHBondContact O-N 3.14Å
332E39.2Very low64.4Low190 Ų190117.8 Ų117.889%0.88857%0.572SS**SBendtrans-134.793.9-179.7-65.1-174.3175.700109.7R334E332-R334 PolarHBondContact O-N 2.96Å
333G46.4Very low64.6Low76 Ų76121 Ų12178%0.78459%0.588SS**THydrogen-bonded Turntrans-59.4119.7-174.200000112.5
334R42Very low65.3Low212 Ų212118.7 Ų118.780%0.858%0.58SS**THydrogen-bonded Turntrans163-0.9137.1-90.2168.1-178.6-169.31.9114.1E332E332-R334 PolarHBondContact O-N 2.96Å
335E42.3Very low66.1Low191 Ų191119.3 Ų119.389%0.89358%0.582SS**SBendtrans-97.8137.1176.3-68.3-173.716500112.7
336G53.9Low67.4Low56 Ų56117.7 Ų117.758%0.57756%0.563SS**  trans-58.5136.7-165.100000113.6L338G336-L338 PolarHBondContact O-N 3.34Å
337R66.3Low68.7Low124 Ų124121.3 Ų121.347%0.46858%0.575SS.*  trans-58.383.5167.9-67.5170.8169.2167.2-3.7109.7E330 R339E330-R337 IonicContact OE1-CZ 3.62Å; E330-R337 IonicContact OE1-NE 3.27Å; E330-R337 IonicContact OE1-NH2 3.95Å; E330-R337 PolarHBondContact OE1-NH2 2.88Å; E330-R337 VanDerWaalsContact OE1-NH2 3.14Å; R337-R339 PolarHBondContact O-N 2.72Å
338L82.8Confident70.3Confident121 Ų121113.4 Ų113.463%0.63454%0.539SS*.EExtended strand (participates in β ladder)trans-65.3121170.7-62.2180000107.5G336 G348 P349G336-L338 PolarHBondContact O-N 3.34Å; L338-G348 WeakPolarHBondContact CA-O 3.25Å; L338-P349 HydrophobicContact CD2-CG 4.23Å
339R87.8Confident72.4Confident6 Ų6103.3 Ų103.32%0.02351%0.506CS..EExtended strand (participates in β ladder)trans-123.8146.5179.5-63.7-168.8-178.1-173.8-6.1110.3Y312 H322 R337 K347 G348Y312-R339 HydrophobicContact CD1-CB 4.45Å; Y312-R339 HydrophobicContact CE1-CB 3.65Å; H322-R339 PolarHBondContact O-NH1 3.25Å; R337-R339 PolarHBondContact O-N 2.72Å; R339-K347 WeakPolarHBondContact O-CA 3.26Å; R339-G348 PolarHBondContact N-O 3.06Å; R339-G348 PolarHBondContact O-N 3.44Å
340E91.6Very high74.5Confident76 Ų7694.7 Ų94.736%0.35547%0.466SS..EExtended strand (participates in β ladder)trans-82122.1174-172.1175.3109.100109.9Y312 P342 R345 K347Y312-E340 PolarHBondContact OH-O 2.71Å; E340-P342 WeakPolarHBondContact O-CD 3.2Å; E340-R345 HydrophobicContact CG-CB 4.36Å; E340-R345 WeakPolarHBondContact OE1-CD 3.1Å; E340-R345 IonicContact OE1-CZ 2.66Å; E340-R345 IonicContact OE1-NE 3.11Å; E340-R345 IonicContact OE1-NH1 3.53Å; E340-R345 PolarHBondContact OE1-NH1 3.44Å; E340-K347 HydrophobicContact CB-CG 4.09Å; E340-K347 HydrophobicContact CG-CG 4.26Å; E340-K347 WeakPolarHBondContact OE2-CE 3.33Å; E340-K347 IonicContact OE2-NZ 3.79Å
341C92.8Very high76.6Confident0 Ų090.4 Ų90.40%045%0.447CS..  trans-65.4122.2175.6178.10000110.4Y312 C315 M343 C344 R345 A346Y312-C341 HydrophobicContact CD1-CB 3.77Å; Y312-C341 HydrophobicContact CD2-CB 4.19Å; Y312-C341 VanDerWaalsContact CE1-CA 3.5Å; Y312-C341 HydrophobicContact CE1-CB 4.11Å; Y312-C341 HydrophobicContact CG-CB 3.8Å; C315-C341 VanDerWaalsContact SG-SG 3.66Å; C341-M343 PolarHBondContact O-N 3.39Å; C341-M343 VanDerWaalsContact O-N 3.14Å; C341-C344 PolarHBondContact O-N 3.17Å; C341-R345 VanDerWaalsContact O-CA 3.25Å; C341-R345 WeakPolarHBondContact O-CA 3.25Å; C341-R345 PolarHBondContact O-N 3.09Å; C341-A346 WeakPolarHBondContact CB-O 3.49Å; C341-A346 PolarHBondContact N-O 3.14Å
342P91.1Very high79.1Confident46 Ų4679.9 Ų79.930%0.29941%0.41SS..THydrogen-bonded Turntrans-61.7-24.5-179.8-25.234.5000114.1V288 Y312 E340V288-P342 HydrophobicContact CG2-CB 3.98Å; V288-P342 HydrophobicContact CG2-CG 4.28Å; Y312-P342 WeakPolarHBondContact OH-CD 3.21Å; E340-P342 WeakPolarHBondContact O-CD 3.2Å
343M91.4Very high81.7Confident90 Ų9070.9 Ų70.944%0.44337%0.368SS..THydrogen-bonded Turntrans-81.3-42.1-176.8-62.2-59.8-65.100113P287 C341P287-M343 HydrophobicContact CB-CG 4.42Å; P287-M343 HydrophobicContact CB-SD 3.67Å; P287-M343 HydrophobicContact CG-CG 4.4Å; P287-M343 HydrophobicContact CG-SD 4.26Å; C341-M343 PolarHBondContact O-N 3.39Å; C341-M343 VanDerWaalsContact O-N 3.14Å
344C94.4Very high84Confident56 Ų5669.9 Ų69.938%0.37834%0.341SS..THydrogen-bonded Turntrans-131.22.1-169.465.90000114.4C315 C341 A346C315-C344 PolarHBondContact SG-SG 3.05Å; C341-C344 PolarHBondContact O-N 3.17Å; C344-A346 PolarHBondContact O-N 3.24Å
345R92.9Very high86.4Confident168 Ų16860.7 Ų60.763%0.63431%0.307SS*.  trans63.15.5179.3-51.2-65.7-179.7168.1-0.4115.7E340 C341 K347E340-R345 HydrophobicContact CG-CB 4.36Å; E340-R345 WeakPolarHBondContact OE1-CD 3.1Å; E340-R345 IonicContact OE1-CZ 2.66Å; E340-R345 IonicContact OE1-NE 3.11Å; E340-R345 IonicContact OE1-NH1 3.53Å; E340-R345 PolarHBondContact OE1-NH1 3.44Å; C341-R345 VanDerWaalsContact O-CA 3.25Å; C341-R345 WeakPolarHBondContact O-CA 3.25Å; C341-R345 PolarHBondContact O-N 3.09Å; R345-K347 PolarHBondContact O-N 2.98Å
346A93.5Very high89Confident27 Ų2751.6 Ų51.622%0.22327%0.265CS..  trans-61.9132171.800000110.6Q314 C315 C341 C344Q314-A346 HydrophobicContact CB-CB 4.36Å; Q314-A346 HydrophobicContact CG-CB 4.11Å; C315-A346 HydrophobicContact CB-CB 4.02Å; C341-A346 WeakPolarHBondContact CB-O 3.49Å; C341-A346 PolarHBondContact N-O 3.14Å; C344-A346 PolarHBondContact O-N 3.24Å
347K91.4Very high90.8Very high141 Ų14150 Ų5061%0.61325%0.245SC*.EExtended strand (participates in β ladder)trans-97.9128177.1-66.2-177.1-178.7-1790110R339 E340 R345R339-K347 WeakPolarHBondContact O-CA 3.26Å; E340-K347 HydrophobicContact CB-CG 4.09Å; E340-K347 HydrophobicContact CG-CG 4.26Å; E340-K347 WeakPolarHBondContact OE2-CE 3.33Å; E340-K347 IonicContact OE2-NZ 3.79Å; R345-K347 PolarHBondContact O-N 2.98Å
348G89.8Confident92.2Very high2 Ų244.1 Ų44.12%0.02122%0.223CC..EExtended strand (participates in β ladder)trans-174.5178.918000000114L338 R339 Y350L338-G348 WeakPolarHBondContact CA-O 3.25Å; R339-G348 PolarHBondContact N-O 3.06Å; R339-G348 PolarHBondContact O-N 3.44Å; G348-Y350 PolarHBondContact O-N 2.88Å
349P91.5Very high92.7Very high38 Ų3838.8 Ų38.825%0.24720%0.196CC..EExtended strand (participates in β ladder)trans-58.1135.5177.5-23.434000111.9L313 L338 V351L313-P349 HydrophobicContact CB-CB 4.38Å; L313-P349 HydrophobicContact CD1-CB 4.12Å; L313-P349 PolarHBondContact N-O 3.01Å; L338-P349 HydrophobicContact CD2-CG 4.23Å; P349-V351 HydrophobicContact CB-CG1 4.43Å
350Y92.7Very high93.1Very high10 Ų1038.5 Ų38.54%0.03920%0.195CC..EExtended strand (participates in β ladder)trans-115.7111.8175.3-175.4-116.4000110.4W310 V311 Y312 H319 G320 H322 G348W310-Y350 HydrophobicContact CB-CD2 4.44Å; W310-Y350 HydrophobicContact CB-CE1 3.97Å; W310-Y350 HydrophobicContact CB-CE2 3.6Å; W310-Y350 VanDerWaalsContact CB-OH 3.26Å; W310-Y350 WeakPolarHBondContact CB-OH 3.25Å; W310-Y350 HydrophobicContact CD2-CD1 4.45Å; W310-Y350 AromaticContact CD2-CE1 4Å; W310-Y350 HydrophobicContact CD2-CE1 4Å; W310-Y350 AromaticContact CE3-CD1 3.55Å; W310-Y350 HydrophobicContact CE3-CD1 3.55Å; W310-Y350 AromaticContact CE3-CE1 3.53Å; W310-Y350 HydrophobicContact CE3-CE1 3.53Å; W310-Y350 HydrophobicContact CE3-CG 4.23Å; W310-Y350 HydrophobicContact CG-CE1 4.2Å; W310-Y350 HydrophobicContact CZ3-CD1 4.1Å; W310-Y350 HydrophobicContact CZ3-CE1 4.33Å; V311-Y350 WeakPolarHBondContact O-CA 3.44Å; V311-Y350 VanDerWaalsContact O-CD2 3.31Å; V311-Y350 WeakPolarHBondContact O-CD2 3.43Å; Y312-Y350 HydrophobicContact CD1-CD2 4Å; Y312-Y350 AromaticContact CD2-CD2 3.7Å; Y312-Y350 HydrophobicContact CD2-CD2 3.7Å; Y312-Y350 AromaticContact CD2-CE2 3.72Å; Y312-Y350 HydrophobicContact CD2-CE2 3.72Å; Y312-Y350 AromaticContact CE1-CD2 3.92Å; Y312-Y350 HydrophobicContact CE1-CD2 3.92Å; Y312-Y350 HydrophobicContact CE1-CG 4.34Å; Y312-Y350 AromaticContact CE2-CD2 3.59Å; Y312-Y350 HydrophobicContact CE2-CD2 3.59Å; Y312-Y350 AromaticContact CE2-CE2 3.4Å; Y312-Y350 HydrophobicContact CE2-CE2 3.4Å; Y312-Y350 VanDerWaalsContact CE2-CE2 3.4Å; Y312-Y350 AromaticContact CG-CD2 3.9Å; Y312-Y350 HydrophobicContact CG-CD2 3.9Å; Y312-Y350 HydrophobicContact CG-CE2 4.39Å; Y312-Y350 AromaticContact CZ-CD2 3.69Å; Y312-Y350 AromaticContact CZ-CE2 3.85Å; H319-Y350 HydrophobicContact CB-CE2 4.32Å; H319-Y350 WeakPolarHBondContact CB-OH 3.48Å; G320-Y350 PolarHBondContact O-OH 3.13Å; H322-Y350 AromaticContact CD2-CZ 3.83Å; H322-Y350 PolarHBondContact CD2-OH 2.94Å; H322-Y350 AromaticContact NE2-CE1 3.92Å; H322-Y350 AromaticContact NE2-CZ 3.71Å; G348-Y350 PolarHBondContact O-N 2.88Å
351V93Very high93.4Very high25 Ų2534.9 Ų34.915%0.15218%0.178CC..EExtended strand (participates in β ladder)trans-133.4152.8-167.5-55.70000112.1W310 V311 L313 P349W310-V351 CarbonylContact C-O 3.57Å; W310-V351 VanDerWaalsContact CA-O 3.23Å; W310-V351 WeakPolarHBondContact CA-O 3.46Å; V311-V351 HydrophobicContact CG1-CG2 3.8Å; V311-V351 PolarHBondContact N-O 2.88Å; V311-V351 PolarHBondContact O-N 2.97Å; V311-V351 VanDerWaalsContact O-N 3.13Å; L313-V351 HydrophobicContact CD1-CG1 4.16Å; L313-V351 HydrophobicContact CD1-CG2 3.64Å; L313-V351 HydrophobicContact CD2-CG2 4.2Å; L313-V351 HydrophobicContact CG-CG2 3.84Å; P349-V351 HydrophobicContact CB-CG1 4.43Å
352P94.1Very high93.6Very high23 Ų2335.3 Ų35.315%0.14918%0.18CC..EExtended strand (participates in β ladder)trans-68.7148171.827.5-31.8000111P304 W310 W354P304-P352 HydrophobicContact CB-CB 4.5Å; P304-P352 HydrophobicContact CG-CB 4.16Å; P304-P352 HydrophobicContact CG-CG 4.25Å; W310-P352 HydrophobicContact CD2-CB 4.04Å; W310-P352 HydrophobicContact CG-CB 4.45Å; W310-P352 HydrophobicContact CH2-CB 4.45Å; W310-P352 HydrophobicContact CH2-CG 4.24Å; W310-P352 HydrophobicContact CZ2-CB 3.94Å; W310-P352 HydrophobicContact CZ2-CG 4.15Å; P352-W354 HydrophobicContact CB-CZ2 3.99Å; P352-W354 HydrophobicContact CG-CZ2 3.81Å; P352-W354 PolarHBondContact O-NE1 3.44Å
353L94.8Very high93.8Very high0 Ų033.7 Ų33.70%017%0.169CC..  trans-93.7138.2175.2-67.8-176.2000112F295 Q308 P309 V311 V318 T371 G376 V378 L419F295-L353 HydrophobicContact CE1-CB 3.72Å; F295-L353 HydrophobicContact CZ-CB 4.1Å; F295-L353 HydrophobicContact CZ-CD1 4.12Å; Q308-L353 PolarHBondContact NE2-O 2.98Å; P309-L353 HydrophobicContact CB-CB 4.33Å; P309-L353 HydrophobicContact CB-CD1 3.98Å; P309-L353 HydrophobicContact CB-CG 4.47Å; P309-L353 WeakPolarHBondContact O-CB 3.48Å; P309-L353 PolarHBondContact O-N 3.36Å; V311-L353 HydrophobicContact CB-CD1 4.2Å; V311-L353 HydrophobicContact CB-CD2 3.79Å; V311-L353 HydrophobicContact CB-CG 4.05Å; V311-L353 HydrophobicContact CG1-CD2 3.36Å; V311-L353 HydrophobicContact CG1-CG 4.05Å; V318-L353 HydrophobicContact CG1-CD1 4.3Å; V318-L353 HydrophobicContact CG2-CD1 4.17Å; L353-T371 HydrophobicContact CD2-CG2 4.1Å; L353-G376 WeakPolarHBondContact CA-O 3.38Å; L353-V378 HydrophobicContact CB-CG2 3.84Å; L353-V378 HydrophobicContact CD1-CG2 4.26Å; L353-V378 HydrophobicContact CD2-CG2 3.8Å; L353-V378 HydrophobicContact CG-CG2 4.2Å; L353-L419 HydrophobicContact CD1-CD1 3.76Å; L353-L419 HydrophobicContact CD1-CD2 3.8Å; L353-L419 HydrophobicContact CD1-CG 4.44Å; L353-L419 HydrophobicContact CD2-CD2 4.12Å
354W93.2Very high93.9Very high55 Ų5530.5 Ų30.521%0.20815%0.154CC..EExtended strand (participates in β ladder)trans-131.5129.3-179.4-51.194.7000110.3K301 P304 Q308 P352 G376 H377 V378K301-W354 WeakPolarHBondContact O-CZ3 3.36Å; P304-W354 HydrophobicContact CB-CH2 4.47Å; P304-W354 HydrophobicContact CG-CH2 4.09Å; P304-W354 HydrophobicContact CG-CZ2 4.07Å; Q308-W354 VanDerWaalsContact NE2-CE3 3.35Å; Q308-W354 VanDerWaalsContact NE2-CZ3 3.34Å; P352-W354 HydrophobicContact CB-CZ2 3.99Å; P352-W354 HydrophobicContact CG-CZ2 3.81Å; P352-W354 PolarHBondContact O-NE1 3.44Å; W354-G376 PolarHBondContact N-O 3.33Å; W354-H377 CarbonylContact O-C 3.52Å; W354-H377 VanDerWaalsContact O-CA 3.25Å; W354-H377 WeakPolarHBondContact O-CA 3.2Å; W354-V378 PolarHBondContact O-N 2.99Å
355L94.3Very high94Very high19 Ų1930.3 Ų30.310%0.09916%0.157CC..EExtended strand (participates in β ladder)trans-69.2139.9175.5-70.9168.1000111.1N30 R276 F295 C357 P368 V378N30-L355 PolarHBondContact ND2-O 2.9Å; N30-L355 VanDerWaalsContact ND2-O 3.17Å; R276-L355 HydrophobicContact CB-CD1 3.65Å; R276-L355 HydrophobicContact CG-CD1 3.46Å; R276-L355 VanDerWaalsContact CG-CD1 3.46Å; F295-L355 HydrophobicContact CB-CD1 4.05Å; F295-L355 HydrophobicContact CD1-CD1 4.16Å; F295-L355 HydrophobicContact CD1-CD2 4.38Å; F295-L355 HydrophobicContact CD1-CG 3.81Å; F295-L355 HydrophobicContact CE1-CD2 4.34Å; F295-L355 HydrophobicContact CE1-CG 4.16Å; F295-L355 HydrophobicContact CG-CD1 4.11Å; F295-L355 HydrophobicContact CG-CG 4.23Å; L355-C357 PolarHBondContact O-N 3.44Å; L355-C357 PolarHBondContact O-SG 3.32Å; L355-C357 VanDerWaalsContact O-SG 3.39Å; L355-P368 HydrophobicContact CD2-CB 4.05Å; L355-P368 HydrophobicContact CD2-CG 3.87Å; L355-V378 HydrophobicContact CD2-CB 4.17Å; L355-V378 HydrophobicContact CD2-CG1 4.41Å
356G95Very high94.1Very high1 Ų124.2 Ų24.21%0.0114%0.142CC..  trans-69.2109.6166.100000109.9Y362 V378 F405G356-Y362 WeakPolarHBondContact O-CE2 3.48Å; G356-Y362 PolarHBondContact O-OH 3.05Å; G356-V378 PolarHBondContact N-O 3.23Å; G356-F405 VanDerWaalsContact CA-CE1 3.42Å
357C92.9Very high94.3Very high21 Ų2126.4 Ų26.414%0.14215%0.154CC..  trans-92.1-22.3-175.1-60.90000112.9N30 L269 M298 L355 A359N30-C357 PolarHBondContact OD1-N 2.82Å; L269-C357 WeakPolarHBondContact CD2-O 3.45Å; M298-C357 HydrophobicContact SD-CB 4.44Å; L355-C357 PolarHBondContact O-N 3.44Å; L355-C357 PolarHBondContact O-SG 3.32Å; L355-C357 VanDerWaalsContact O-SG 3.39Å; C357-A359 PolarHBondContact O-N 2.9Å
358E94.9Very high94.5Very high2 Ų220.1 Ų20.11%0.00913%0.128CC..  trans-78.496177.7-178.646.6-110.100111.1I25 N30 G31 R44 G360 F361 F405I25-E358 HydrophobicContact CG2-CG 3.73Å; N30-E358 PolarHBondContact OD1-N 2.92Å; G31-E358 WeakPolarHBondContact CA-OE2 3.34Å; R44-E358 VanDerWaalsContact CD-OE2 3.29Å; R44-E358 WeakPolarHBondContact CD-OE2 3.15Å; R44-E358 IonicContact CZ-OE1 3.46Å; R44-E358 IonicContact CZ-OE2 2.69Å; R44-E358 IonicContact NE-OE2 2.67Å; R44-E358 IonicContact NH1-OE1 3.17Å; R44-E358 PolarHBondContact NH1-OE1 2.68Å; R44-E358 IonicContact NH1-OE2 3.26Å; R44-E358 PolarHBondContact NH1-OE2 2.91Å; R44-E358 VanDerWaalsContact NH1-OE2 3.14Å; E358-G360 PolarHBondContact O-N 3.46Å; E358-G360 PolarHBondContact OE1-N 3.17Å; E358-F361 HydrophobicContact CB-CD2 3.58Å; E358-F361 HydrophobicContact CB-CE2 3.58Å; E358-F361 HydrophobicContact CB-CG 4.28Å; E358-F361 HydrophobicContact CB-CZ 4.29Å; E358-F361 HydrophobicContact CG-CD1 4.14Å; E358-F361 HydrophobicContact CG-CD2 3.64Å; E358-F361 HydrophobicContact CG-CE1 4.02Å; E358-F361 HydrophobicContact CG-CE2 3.48Å; E358-F361 VanDerWaalsContact CG-CE2 3.48Å; E358-F361 HydrophobicContact CG-CG 3.96Å; E358-F361 HydrophobicContact CG-CZ 3.69Å; E358-F361 PolarHBondContact O-N 2.92Å; E358-F361 VanDerWaalsContact O-N 3.17Å; E358-F405 HydrophobicContact CB-CD1 4.37Å; E358-F405 HydrophobicContact CB-CE1 4.38Å
359A94.4Very high94.9Very high8 Ų822.8 Ų22.87%0.06614%0.143CC..G310 helixtrans-51-37.4178.100000113.6T266 P267 L272 C357 F361 Y362T266-A359 HydrophobicContact CG2-CB 4.26Å; T266-A359 WeakPolarHBondContact CG2-O 3.34Å; P267-A359 WeakPolarHBondContact O-CB 3.24Å; L272-A359 HydrophobicContact CD1-CB 4.12Å; C357-A359 PolarHBondContact O-N 2.9Å; A359-F361 PolarHBondContact O-N 3.19Å; A359-Y362 PolarHBondContact O-N 3.29Å
360G95.9Very high95.2Very high1 Ų121.4 Ų21.41%0.0113%0.134CC..G310 helixtrans-58.5-18.8-178.200000115.1L256 R258 E358L256-G360 VanDerWaalsContact CD2-O 3.25Å; L256-G360 WeakPolarHBondContact CD2-O 3.47Å; R258-G360 PolarHBondContact NH1-O 3.21Å; E358-G360 PolarHBondContact O-N 3.46Å; E358-G360 PolarHBondContact OE1-N 3.17Å
361F96.9Very high95.4Very high0 Ų020.9 Ų20.90%013%0.132CC..G310 helixtrans-86.8-10.7178.6-57.9-27.2000114.3I25 L27 L256 E358 A359 W387 P404 F405I25-F361 HydrophobicContact CB-CE1 4.18Å; I25-F361 HydrophobicContact CG2-CD1 4.46Å; I25-F361 HydrophobicContact CG2-CE1 3.5Å; I25-F361 VanDerWaalsContact CG2-CE1 3.5Å; I25-F361 HydrophobicContact CG2-CZ 3.62Å; L27-F361 HydrophobicContact CD1-CE1 3.9Å; L27-F361 HydrophobicContact CD1-CZ 4.28Å; L27-F361 HydrophobicContact CG-CE1 4.22Å; L27-F361 HydrophobicContact CG-CZ 4.25Å; L256-F361 HydrophobicContact CB-CE1 4.35Å; L256-F361 HydrophobicContact CD2-CD1 3.59Å; L256-F361 HydrophobicContact CD2-CE1 3.99Å; E358-F361 HydrophobicContact CB-CD2 3.58Å; E358-F361 HydrophobicContact CB-CE2 3.58Å; E358-F361 HydrophobicContact CB-CG 4.28Å; E358-F361 HydrophobicContact CB-CZ 4.29Å; E358-F361 HydrophobicContact CG-CD1 4.14Å; E358-F361 HydrophobicContact CG-CD2 3.64Å; E358-F361 HydrophobicContact CG-CE1 4.02Å; E358-F361 HydrophobicContact CG-CE2 3.48Å; E358-F361 VanDerWaalsContact CG-CE2 3.48Å; E358-F361 HydrophobicContact CG-CG 3.96Å; E358-F361 HydrophobicContact CG-CZ 3.69Å; E358-F361 PolarHBondContact O-N 2.92Å; E358-F361 VanDerWaalsContact O-N 3.17Å; A359-F361 PolarHBondContact O-N 3.19Å; F361-W387 HydrophobicContact CB-CZ2 4.09Å; F361-W387 HydrophobicContact CD1-CZ2 4.02Å; F361-W387 HydrophobicContact CG-CZ2 4.26Å; F361-W387 PolarHBondContact O-NE1 3.3Å; F361-P404 HydrophobicContact CB-CB 4.32Å; F361-P404 HydrophobicContact CB-CG 4.4Å; F361-P404 HydrophobicContact CD2-CB 3.83Å; F361-P404 HydrophobicContact CD2-CG 4.33Å; F361-P404 HydrophobicContact CE2-CB 4.27Å; F361-P404 WeakPolarHBondContact CE2-O 3.42Å; F361-P404 HydrophobicContact CG-CB 4Å; F361-F405 HydrophobicContact CB-CE1 4.07Å; F361-F405 HydrophobicContact CB-CZ 4.28Å; F361-F405 AromaticContact CD2-CD1 3.6Å; F361-F405 HydrophobicContact CD2-CD1 3.6Å; F361-F405 AromaticContact CD2-CE1 3.63Å; F361-F405 HydrophobicContact CD2-CE1 3.63Å; F361-F405 HydrophobicContact CD2-CG 4.43Å; F361-F405 HydrophobicContact CD2-CZ 4.47Å; F361-F405 HydrophobicContact CE2-CD1 4.21Å; F361-F405 HydrophobicContact CG-CE1 4.35Å
362Y96.6Very high95.7Very high8 Ų819.7 Ų19.73%0.03112%0.124CC..  trans-81137.7-178.9-74.6-102.9000111.6P267 L272 G356 A359 C379 T383 F405P267-Y362 HydrophobicContact CG-CG 4.48Å; L272-Y362 HydrophobicContact CD1-CD2 4.48Å; L272-Y362 HydrophobicContact CD1-CE2 3.93Å; L272-Y362 HydrophobicContact CD2-CD1 4.5Å; L272-Y362 HydrophobicContact CD2-CD2 4.45Å; L272-Y362 HydrophobicContact CD2-CE1 4.07Å; L272-Y362 HydrophobicContact CD2-CE2 4Å; G356-Y362 WeakPolarHBondContact O-CE2 3.48Å; G356-Y362 PolarHBondContact O-OH 3.05Å; A359-Y362 PolarHBondContact O-N 3.29Å; Y362-C379 HydrophobicContact CE1-CB 3.83Å; Y362-T383 HydrophobicContact CD1-CG2 4.39Å; Y362-F405 HydrophobicContact CD2-CZ 4.49Å; Y362-F405 HydrophobicContact CE2-CE1 4.09Å; Y362-F405 AromaticContact CE2-CZ 3.85Å; Y362-F405 HydrophobicContact CE2-CZ 3.85Å
363V95.5Very high95.8Very high13 Ų1319.3 Ų19.38%0.07912%0.122CC..SBendtrans-100.5-6.9176-60.10000112.9F201 M202 Q203 K382 T383 F386F201-V363 HydrophobicContact CD1-CG1 4.15Å; F201-V363 HydrophobicContact CE1-CG1 3.81Å; F201-V363 HydrophobicContact CE2-CG1 4.36Å; F201-V363 HydrophobicContact CZ-CG1 3.94Å; M202-V363 CarbonylContact C-O 3.44Å; Q203-V363 PolarHBondContact N-O 2.91Å; Q203-V363 VanDerWaalsContact N-O 3.09Å; V363-K382 HydrophobicContact CG2-CB 3.99Å; V363-T383 PolarHBondContact N-OG1 3.37Å; V363-F386 HydrophobicContact CG1-CB 4.28Å; V363-F386 HydrophobicContact CG1-CD1 3.85Å; V363-F386 HydrophobicContact CG1-CE1 4.36Å; V363-F386 HydrophobicContact CG1-CG 3.99Å; V363-F386 HydrophobicContact CG2-CB 4.48Å
364D95Very high95.8Very high22 Ų2221.2 Ų21.212%0.11814%0.135CC..SBendtrans-149.1-177.8175.370.210.9000110.8P267 A366 S380 K382P267-D364 WeakPolarHBondContact CG-O 3.44Å; D364-A366 PolarHBondContact OD1-N 2.65Å; D364-A366 WeakPolarHBondContact OD2-CB 3.1Å; D364-S380 WeakPolarHBondContact OD1-CB 3.29Å; D364-S380 PolarHBondContact OD1-OG 3.21Å; D364-K382 HydrophobicContact CB-CD 4.46Å; D364-K382 WeakPolarHBondContact OD2-CB 3.34Å; D364-K382 WeakPolarHBondContact OD2-CD 3.23Å
365A95.1Very high95.8Very high53 Ų5319.8 Ų19.844%0.43813%0.133SC..  trans-11420.2177.300000113.1P267 H271P267-A365 HydrophobicContact CG-CB 3.92Å; H271-A365 PolarHBondContact NE2-O 3.42Å
366A96.1Very high95.9Very high39 Ų3918.9 Ų18.932%0.32213%0.128SC..  trans-74.9160.5-172.600000112.6D364D364-A366 PolarHBondContact OD1-N 2.65Å; D364-A366 WeakPolarHBondContact OD2-CB 3.1Å
367P96.3Very high95.9Very high73 Ų7319.7 Ų19.747%0.47413%0.131SC..  trans-57.5148.4177.2-26.135.5000113.3L275 T369L275-P367 HydrophobicContact CD2-CG 4.41Å; P367-T369 HydrophobicContact CB-CG2 4.31Å; P367-T369 PolarHBondContact O-N 3.11Å
368P96.5Very high96.2Very high10 Ų1018.7 Ų18.77%0.06513%0.125CC..  trans-83.684.9-174.935.9-36.1000110.7I279 L355 V378 C379I279-P368 HydrophobicContact CD1-CG 3.34Å; L355-P368 HydrophobicContact CD2-CB 4.05Å; L355-P368 HydrophobicContact CD2-CG 3.87Å; P368-V378 HydrophobicContact CB-CG1 3.88Å; P368-V378 WeakPolarHBondContact O-CG1 3.43Å; P368-C379 CarbonylContact C-O 3.54Å; P368-C379 VanDerWaalsContact CA-O 3.27Å; P368-C379 WeakPolarHBondContact CA-O 3.44Å
369T97.4Very high96.3Very high57 Ų5718.6 Ų18.635%0.3512%0.124SC..  trans-97.8-8-173.353.10000114.2P367 C379 L419P367-T369 HydrophobicContact CB-CG2 4.31Å; P367-T369 PolarHBondContact O-N 3.11Å; T369-C379 PolarHBondContact N-O 3Å; T369-L419 WeakPolarHBondContact O-CB 3.49Å; T369-L419 PolarHBondContact O-N 2.82Å
370H98.3Very high96.4Very high9 Ų918.2 Ų18.24%0.04212%0.121CC..EExtended strand (participates in β ladder)trans-129.9152.9-173.3-70.172.3000111.5V378 C379 E381 A384 Y416 I417 R418H370-V378 CarbonylContact O-C 3.41Å; H370-V378 VanDerWaalsContact O-CA 3.23Å; H370-V378 WeakPolarHBondContact O-CA 3.05Å; H370-V378 VanDerWaalsContact O-CG1 3.25Å; H370-V378 WeakPolarHBondContact O-CG1 3.22Å; H370-C379 PolarHBondContact N-O 3.07Å; H370-C379 PolarHBondContact O-N 3.14Å; H370-E381 VanDerWaalsContact CE1-CB 3.41Å; H370-E381 WeakPolarHBondContact CE1-CB 3.47Å; H370-E381 VanDerWaalsContact CE1-CG 3.42Å; H370-E381 WeakPolarHBondContact CE1-CG 3.43Å; H370-E381 IonicContact CE1-OE2 3.14Å; H370-E381 WeakPolarHBondContact ND1-CA 3.35Å; H370-E381 WeakPolarHBondContact ND1-CB 3.39Å; H370-A384 HydrophobicContact CB-CB 4.03Å; H370-Y416 HydrophobicContact CB-CD2 4.39Å; H370-Y416 AromaticContact CD2-CD2 3.75Å; H370-Y416 AromaticContact CD2-CE2 3.84Å; H370-I417 CarbonylContact C-O 3.53Å; H370-I417 WeakPolarHBondContact CA-O 3.47Å; H370-R418 VanDerWaalsContact CD2-CA 3.43Å; H370-R418 WeakPolarHBondContact CD2-CA 3.11Å; H370-R418 WeakPolarHBondContact NE2-CB 3.36Å
371T98.1Very high96.5Very high0 Ų023.1 Ų23.10%014%0.144CC..EExtended strand (participates in β ladder)trans-128.9143.9178.4-167.80000112.4V311 L313 L353 G376 H377 Y416 I417 L419V311-T371 HydrophobicContact CG1-CG2 4.31Å; L313-T371 HydrophobicContact CD2-CG2 3.79Å; L353-T371 HydrophobicContact CD2-CG2 4.1Å; T371-G376 WeakPolarHBondContact OG1-CA 3.42Å; T371-G376 PolarHBondContact OG1-O 3.17Å; T371-G376 VanDerWaalsContact OG1-O 3.12Å; T371-H377 CarbonylContact C-O 3.38Å; T371-H377 WeakPolarHBondContact CA-O 3.27Å; T371-H377 PolarHBondContact OG1-N 2.81Å; T371-H377 PolarHBondContact OG1-O 3.04Å; T371-H377 VanDerWaalsContact OG1-O 3.12Å; T371-Y416 CarbonylContact O-C 3.54Å; T371-Y416 WeakPolarHBondContact O-CA 3.46Å; T371-Y416 VanDerWaalsContact O-CB 3.25Å; T371-Y416 WeakPolarHBondContact O-CB 3.34Å; T371-I417 HydrophobicContact CG2-CG2 3.47Å; T371-I417 VanDerWaalsContact CG2-CG2 3.47Å; T371-I417 PolarHBondContact N-O 3.47Å; T371-I417 PolarHBondContact O-N 3.05Å; T371-L419 HydrophobicContact CG2-CD2 3.55Å; T371-L419 HydrophobicContact CG2-CG 4.38Å
372F98.2Very high96.5Very high0 Ų026.9 Ų26.90%016%0.16CC..EExtended strand (participates in β ladder)trans-75.1137.5174.1-72.1-67.8000111.8C375 G376 H377 C379 A384 W387 C403 P404 F405 L410F372-C375 PolarHBondContact O-N 3.03Å; F372-G376 PolarHBondContact O-N 3.09Å; F372-H377 HydrophobicContact CD2-CB 4.13Å; F372-H377 PolarHBondContact N-O 3.46Å; F372-C379 VanDerWaalsContact CE2-SG 3.54Å; F372-A384 HydrophobicContact CE1-CB 4.21Å; F372-A384 HydrophobicContact CZ-CB 4.25Å; F372-W387 HydrophobicContact CE1-CB 4.03Å; F372-W387 HydrophobicContact CZ-CB 3.76Å; F372-W387 HydrophobicContact CZ-CG 4.43Å; F372-C403 HydrophobicContact CB-CB 4.25Å; F372-C403 HydrophobicContact CD2-CB 4.31Å; F372-C403 HydrophobicContact CG-CB 4.22Å; F372-P404 HydrophobicContact CE2-CG 4.28Å; F372-P404 HydrophobicContact CZ-CG 4.41Å; F372-F405 HydrophobicContact CD2-CD2 4.3Å; F372-F405 HydrophobicContact CD2-CE2 4.47Å; F372-F405 HydrophobicContact CE2-CD2 4.04Å; F372-F405 AromaticContact CE2-CE2 3.88Å; F372-F405 HydrophobicContact CE2-CE2 3.88Å; F372-L410 HydrophobicContact CB-CD2 3.76Å; F372-L410 HydrophobicContact CD1-CD1 3.7Å; F372-L410 HydrophobicContact CD1-CD2 3.65Å; F372-L410 HydrophobicContact CD1-CG 4.35Å; F372-L410 HydrophobicContact CE1-CD1 3.97Å; F372-L410 HydrophobicContact CG-CD2 4Å
373S95.8Very high96.6Very high15 Ų1526.5 Ų26.511%0.10516%0.159CC..THydrogen-bonded Turntrans-102.3131.7174.3178.30000110L410 S411 G415S373-L410 VanDerWaalsContact O-CA 3.25Å; S373-L410 WeakPolarHBondContact O-CA 3.3Å; S373-L410 WeakPolarHBondContact O-CD2 3.41Å; S373-S411 PolarHBondContact O-N 3.01Å; S373-S411 PolarHBondContact OG-OG 3.22Å; S373-G415 PolarHBondContact N-O 3.21Å
374P94.3Very high96.7Very high40 Ų4025.9 Ų25.926%0.2616%0.155SC..THydrogen-bonded Turncis-96.44.89.536.5-35.4000114.9L313 Q408 Q409L313-P374 HydrophobicContact CD1-CB 4.34Å; L313-P374 WeakPolarHBondContact CD1-O 3.35Å; P374-Q408 HydrophobicContact CG-CG 4.02Å; P374-Q409 VanDerWaalsContact CD-O 3.3Å; P374-Q409 WeakPolarHBondContact CD-O 3.44Å
375C94.4Very high96.8Very high25 Ų2526.6 Ų26.617%0.16916%0.16CC..THydrogen-bonded Turntrans-85.6-13.2-162.1710000116.2F372 H377 C406 Q408F372-C375 PolarHBondContact O-N 3.03Å; C375-H377 VanDerWaalsContact C-N 3.31Å; C375-H377 PolarHBondContact O-N 2.97Å; C375-H377 PolarHBondContact SG-ND1 3.09Å; C375-H377 VanDerWaalsContact SG-ND1 3.43Å; C375-C406 VanDerWaalsContact SG-SG 3.61Å; C375-Q408 HydrophobicContact CB-CB 3.93Å; C375-Q408 HydrophobicContact CB-CG 4.07Å
376G95.2Very high96.9Very high0 Ų024.4 Ų24.40%014%0.141CC..  trans76.110.8178.400000115L353 W354 T371 F372 V378L353-G376 WeakPolarHBondContact CA-O 3.38Å; W354-G376 PolarHBondContact N-O 3.33Å; T371-G376 WeakPolarHBondContact OG1-CA 3.42Å; T371-G376 PolarHBondContact OG1-O 3.17Å; T371-G376 VanDerWaalsContact OG1-O 3.12Å; F372-G376 PolarHBondContact O-N 3.09Å; G376-V378 PolarHBondContact O-N 3.5Å
377H96.7Very high96.9Very high17 Ų1722.6 Ų22.68%0.07913%0.125CC..EExtended strand (participates in β ladder)trans-72126.4174.8-82.192.4000111.3W354 T371 F372 C375 F405W354-H377 CarbonylContact O-C 3.52Å; W354-H377 VanDerWaalsContact O-CA 3.25Å; W354-H377 WeakPolarHBondContact O-CA 3.2Å; T371-H377 CarbonylContact C-O 3.38Å; T371-H377 WeakPolarHBondContact CA-O 3.27Å; T371-H377 PolarHBondContact OG1-N 2.81Å; T371-H377 PolarHBondContact OG1-O 3.04Å; T371-H377 VanDerWaalsContact OG1-O 3.12Å; F372-H377 HydrophobicContact CD2-CB 4.13Å; F372-H377 PolarHBondContact N-O 3.46Å; C375-H377 VanDerWaalsContact C-N 3.31Å; C375-H377 PolarHBondContact O-N 2.97Å; C375-H377 PolarHBondContact SG-ND1 3.09Å; C375-H377 VanDerWaalsContact SG-ND1 3.43Å; H377-F405 HydrophobicContact CB-CB 4.38Å; H377-F405 HydrophobicContact CB-CD2 3.93Å
378V97.6Very high97Very high0 Ų020.2 Ų20.20%011%0.11CC..EExtended strand (participates in β ladder)trans-102.6133.2-173.2-167.40000110.7F295 L353 W354 L355 G356 P368 H370 G376 L419F295-V378 HydrophobicContact CE1-CG2 4.11Å; F295-V378 HydrophobicContact CZ-CG2 4.2Å; L353-V378 HydrophobicContact CB-CG2 3.84Å; L353-V378 HydrophobicContact CD1-CG2 4.26Å; L353-V378 HydrophobicContact CD2-CG2 3.8Å; L353-V378 HydrophobicContact CG-CG2 4.2Å; W354-V378 PolarHBondContact O-N 2.99Å; L355-V378 HydrophobicContact CD2-CB 4.17Å; L355-V378 HydrophobicContact CD2-CG1 4.41Å; G356-V378 PolarHBondContact N-O 3.23Å; P368-V378 HydrophobicContact CB-CG1 3.88Å; P368-V378 WeakPolarHBondContact O-CG1 3.43Å; H370-V378 CarbonylContact O-C 3.41Å; H370-V378 VanDerWaalsContact O-CA 3.23Å; H370-V378 WeakPolarHBondContact O-CA 3.05Å; H370-V378 VanDerWaalsContact O-CG1 3.25Å; H370-V378 WeakPolarHBondContact O-CG1 3.22Å; G376-V378 PolarHBondContact O-N 3.5Å; V378-L419 HydrophobicContact CG1-CD1 3.57Å; V378-L419 HydrophobicContact CG2-CD1 4.04Å
379C97.8Very high96.9Very high0 Ų024.2 Ų24.20%013%0.128CC..EExtended strand (participates in β ladder)trans-153.2-173.8174.762.50000110Y362 P368 T369 H370 F372 T383 F405Y362-C379 HydrophobicContact CE1-CB 3.83Å; P368-C379 CarbonylContact C-O 3.54Å; P368-C379 VanDerWaalsContact CA-O 3.27Å; P368-C379 WeakPolarHBondContact CA-O 3.44Å; T369-C379 PolarHBondContact N-O 3Å; H370-C379 PolarHBondContact N-O 3.07Å; H370-C379 PolarHBondContact O-N 3.14Å; F372-C379 VanDerWaalsContact CE2-SG 3.54Å; C379-T383 HydrophobicContact CB-CG2 4.07Å; C379-F405 HydrophobicContact CB-CE2 4.05Å; C379-F405 HydrophobicContact CB-CZ 4.29Å
380S97.6Very high96.9Very high0 Ų021.5 Ų21.50%011%0.112CC..  trans-69.3158.417562.90000112.1D364 K382 T383 A384D364-S380 WeakPolarHBondContact OD1-CB 3.29Å; D364-S380 PolarHBondContact OD1-OG 3.21Å; S380-K382 PolarHBondContact O-N 3.15Å; S380-T383 PolarHBondContact O-N 3.42Å; S380-T383 VanDerWaalsContact OG-CB 3.31Å; S380-T383 WeakPolarHBondContact OG-CB 3.13Å; S380-T383 PolarHBondContact OG-N 2.67Å; S380-T383 PolarHBondContact OG-OG1 3Å; S380-A384 PolarHBondContact O-N 2.87Å
381E97.6Very high96.8Very high104 Ų10423.3 Ų23.349%0.48612%0.124SC..Hα-helixtrans-54.4-48.1177.4-174173.8177.600113H370 T383 A384 T385H370-E381 VanDerWaalsContact CE1-CB 3.41Å; H370-E381 WeakPolarHBondContact CE1-CB 3.47Å; H370-E381 VanDerWaalsContact CE1-CG 3.42Å; H370-E381 WeakPolarHBondContact CE1-CG 3.43Å; H370-E381 IonicContact CE1-OE2 3.14Å; H370-E381 WeakPolarHBondContact ND1-CA 3.35Å; H370-E381 WeakPolarHBondContact ND1-CB 3.39Å; E381-T383 VanDerWaalsContact C-N 3.33Å; E381-T383 PolarHBondContact O-N 2.81Å; E381-A384 PolarHBondContact O-N 2.77Å; E381-T385 WeakPolarHBondContact O-CB 3.37Å; E381-T385 PolarHBondContact O-N 2.8Å; E381-T385 PolarHBondContact O-OG1 3.21Å
382K96.9Very high96.7Very high80 Ų8023.9 Ų23.935%0.34813%0.127SC..Hα-helixtrans-67.4-36.2-178.2-70.7161.7154.7176.90111.7Q203 V363 D364 S380 F386Q203-K382 HydrophobicContact CB-CD 3.63Å; Q203-K382 HydrophobicContact CB-CG 4.45Å; V363-K382 HydrophobicContact CG2-CB 3.99Å; D364-K382 HydrophobicContact CB-CD 4.46Å; D364-K382 WeakPolarHBondContact OD2-CB 3.34Å; D364-K382 WeakPolarHBondContact OD2-CD 3.23Å; S380-K382 PolarHBondContact O-N 3.15Å; K382-F386 VanDerWaalsContact O-CB 3.31Å; K382-F386 WeakPolarHBondContact O-CB 3.31Å; K382-F386 PolarHBondContact O-N 2.89Å
383T97.4Very high96.5Very high0 Ų024.8 Ų24.80%013%0.133CC..Hα-helixtrans-65.2-45.7173.3-59.30000110.8Y362 V363 C379 S380 E381 T385 F386 W387Y362-T383 HydrophobicContact CD1-CG2 4.39Å; V363-T383 PolarHBondContact N-OG1 3.37Å; C379-T383 HydrophobicContact CB-CG2 4.07Å; S380-T383 PolarHBondContact O-N 3.42Å; S380-T383 VanDerWaalsContact OG-CB 3.31Å; S380-T383 WeakPolarHBondContact OG-CB 3.13Å; S380-T383 PolarHBondContact OG-N 2.67Å; S380-T383 PolarHBondContact OG-OG1 3Å; E381-T383 VanDerWaalsContact C-N 3.33Å; E381-T383 PolarHBondContact O-N 2.81Å; T383-T385 PolarHBondContact O-N 3.03Å; T383-F386 PolarHBondContact O-N 3.43Å; T383-W387 PolarHBondContact O-N 3.02Å; T383-W387 VanDerWaalsContact O-N 3.14Å
384A97.9Very high96.1Very high0 Ų028.9 Ų28.90%015%0.15CC..Hα-helixtrans-61.4-43.9176.600000112.4H370 F372 S380 E381 S388 Y416H370-A384 HydrophobicContact CB-CB 4.03Å; F372-A384 HydrophobicContact CE1-CB 4.21Å; F372-A384 HydrophobicContact CZ-CB 4.25Å; S380-A384 PolarHBondContact O-N 2.87Å; E381-A384 PolarHBondContact O-N 2.77Å; A384-S388 WeakPolarHBondContact O-CB 3.46Å; A384-S388 PolarHBondContact O-N 2.96Å; A384-S388 PolarHBondContact O-OG 3.4Å; A384-Y416 HydrophobicContact CB-CD1 4.22Å; A384-Y416 HydrophobicContact CB-CD2 3.88Å; A384-Y416 HydrophobicContact CB-CE2 4.48Å; A384-Y416 HydrophobicContact CB-CG 3.75Å
385T97.1Very high95.7Very high36 Ų3629.6 Ų29.622%0.22117%0.165CC..Hα-helixtrans-63.3-45.2177.8-58.20000111.9E381 T383 S388 Q389 Y416E381-T385 WeakPolarHBondContact O-CB 3.37Å; E381-T385 PolarHBondContact O-N 2.8Å; E381-T385 PolarHBondContact O-OG1 3.21Å; T383-T385 PolarHBondContact O-N 3.03Å; T385-S388 WeakPolarHBondContact CA-OG 3.47Å; T385-S388 PolarHBondContact O-OG 3.23Å; T385-Q389 WeakPolarHBondContact O-CG 3.33Å; T385-Q389 PolarHBondContact O-N 3.3Å; T385-Y416 PolarHBondContact OG1-OH 3.42Å; T385-Y416 VanDerWaalsContact OG1-OH 3.08Å
386F96.9Very high95.2Very high8 Ų832 Ų324%0.03518%0.179CC..Hα-helixtrans-61-53.7179.1170.8-103.4000111.3P197 F201 V363 K382 T383 S388 Q389 I390P197-F386 HydrophobicContact CB-CE2 4.34Å; P197-F386 HydrophobicContact CB-CZ 4.45Å; F201-F386 HydrophobicContact CD2-CE1 4.18Å; F201-F386 AromaticContact CD2-CZ 3.93Å; F201-F386 HydrophobicContact CD2-CZ 3.93Å; F201-F386 HydrophobicContact CE2-CD1 4.36Å; F201-F386 AromaticContact CE2-CE1 3.41Å; F201-F386 HydrophobicContact CE2-CE1 3.41Å; F201-F386 VanDerWaalsContact CE2-CE1 3.41Å; F201-F386 AromaticContact CE2-CZ 3.61Å; F201-F386 HydrophobicContact CE2-CZ 3.61Å; F201-F386 HydrophobicContact CZ-CE1 4.02Å; V363-F386 HydrophobicContact CG1-CB 4.28Å; V363-F386 HydrophobicContact CG1-CD1 3.85Å; V363-F386 HydrophobicContact CG1-CE1 4.36Å; V363-F386 HydrophobicContact CG1-CG 3.99Å; V363-F386 HydrophobicContact CG2-CB 4.48Å; K382-F386 VanDerWaalsContact O-CB 3.31Å; K382-F386 WeakPolarHBondContact O-CB 3.31Å; K382-F386 PolarHBondContact O-N 2.89Å; T383-F386 PolarHBondContact O-N 3.43Å; F386-S388 VanDerWaalsContact C-N 3.35Å; F386-S388 PolarHBondContact O-N 3.44Å; F386-Q389 PolarHBondContact O-N 3.11Å; F386-Q389 VanDerWaalsContact O-N 3.15Å; F386-I390 HydrophobicContact CD1-CG1 4.47Å; F386-I390 HydrophobicContact CD2-CD1 4.28Å; F386-I390 HydrophobicContact CE1-CD1 4.28Å; F386-I390 HydrophobicContact CE1-CG1 4.06Å; F386-I390 HydrophobicContact CE2-CD1 3.75Å; F386-I390 HydrophobicContact CE2-CG1 4.4Å; F386-I390 HydrophobicContact CZ-CD1 3.75Å; F386-I390 HydrophobicContact CZ-CG1 4.04Å; F386-I390 WeakPolarHBondContact O-CG1 3.37Å; F386-I390 PolarHBondContact O-N 3.49Å
387W97.6Very high94.7Very high0 Ų037.9 Ų37.90%021%0.206CC..Hα-helixtrans-70.5-28-174.8-74.9107.6000114L27 F201 L247 L256 F361 F372 T383 Q389 I390 P404L27-W387 HydrophobicContact CD1-CH2 4.44Å; L27-W387 HydrophobicContact CD2-CH2 3.94Å; L27-W387 HydrophobicContact CD2-CZ3 3.68Å; L27-W387 HydrophobicContact CG-CH2 4.33Å; F201-W387 HydrophobicContact CE2-CZ2 4.39Å; F201-W387 HydrophobicContact CZ-CZ2 4.1Å; L247-W387 HydrophobicContact CD1-CZ3 4.31Å; L247-W387 HydrophobicContact CD2-CH2 3.91Å; L247-W387 HydrophobicContact CD2-CZ3 4.13Å; L256-W387 HydrophobicContact CD2-CZ2 4.42Å; F361-W387 HydrophobicContact CB-CZ2 4.09Å; F361-W387 HydrophobicContact CD1-CZ2 4.02Å; F361-W387 HydrophobicContact CG-CZ2 4.26Å; F361-W387 PolarHBondContact O-NE1 3.3Å; F372-W387 HydrophobicContact CE1-CB 4.03Å; F372-W387 HydrophobicContact CZ-CB 3.76Å; F372-W387 HydrophobicContact CZ-CG 4.43Å; T383-W387 PolarHBondContact O-N 3.02Å; T383-W387 VanDerWaalsContact O-N 3.14Å; W387-Q389 PolarHBondContact O-N 3.31Å; W387-I390 HydrophobicContact CE3-CB 4.41Å; W387-I390 HydrophobicContact CE3-CG1 4.11Å; W387-I390 PolarHBondContact O-N 3.43Å; W387-P404 HydrophobicContact CB-CG 4.22Å; W387-P404 HydrophobicContact CD2-CB 3.61Å; W387-P404 HydrophobicContact CD2-CG 3.69Å; W387-P404 HydrophobicContact CE3-CB 3.87Å; W387-P404 HydrophobicContact CE3-CG 4.37Å; W387-P404 HydrophobicContact CG-CB 4.09Å; W387-P404 HydrophobicContact CG-CG 3.59Å; W387-P404 HydrophobicContact CH2-CB 4.1Å; W387-P404 HydrophobicContact CZ2-CB 3.86Å; W387-P404 HydrophobicContact CZ2-CG 4.49Å; W387-P404 HydrophobicContact CZ3-CB 4.12Å
388S97.2Very high94.3Very high23 Ų2340 Ų4016%0.16122%0.22CC..Hα-helixtrans-68.6-18.617354.60000114A384 T385 F386 A401 Q414 Y416A384-S388 WeakPolarHBondContact O-CB 3.46Å; A384-S388 PolarHBondContact O-N 2.96Å; A384-S388 PolarHBondContact O-OG 3.4Å; T385-S388 WeakPolarHBondContact CA-OG 3.47Å; T385-S388 PolarHBondContact O-OG 3.23Å; F386-S388 VanDerWaalsContact C-N 3.35Å; F386-S388 PolarHBondContact O-N 3.44Å; S388-A401 WeakPolarHBondContact O-CB 3.44Å; S388-Q414 WeakPolarHBondContact CB-O 2.91Å; S388-Y416 WeakPolarHBondContact OG-CD1 3.44Å; S388-Y416 VanDerWaalsContact OG-CE1 3.25Å; S388-Y416 WeakPolarHBondContact OG-CE1 3.3Å
389Q95.9Very high94.2Very high94 Ų9444 Ų4444%0.43924%0.238SC..THydrogen-bonded Turntrans-95.5-7.3176.9-65.3175.421.100113.3P207 T385 F386 W387 P391P207-Q389 HydrophobicContact CG-CB 4.19Å; T385-Q389 WeakPolarHBondContact O-CG 3.33Å; T385-Q389 PolarHBondContact O-N 3.3Å; F386-Q389 PolarHBondContact O-N 3.11Å; F386-Q389 VanDerWaalsContact O-N 3.15Å; W387-Q389 PolarHBondContact O-N 3.31Å; Q389-P391 VanDerWaalsContact O-CD 3.24Å; Q389-P391 WeakPolarHBondContact O-CD 3.47Å
390I96.4Very high94Very high1 Ų145.4 Ų45.41%0.00525%0.245CC..  trans-81.7114.9-178.8-61.1-43.6000110M195 P207 L247 F386 W387 L392 A401M195-I390 HydrophobicContact CE-CD1 3.92Å; M195-I390 HydrophobicContact CE-CG2 4.17Å; M195-I390 HydrophobicContact SD-CG2 4.49Å; P207-I390 HydrophobicContact CB-CD1 3.77Å; L247-I390 HydrophobicContact CD1-CG2 3.49Å; L247-I390 VanDerWaalsContact CD1-CG2 3.49Å; F386-I390 HydrophobicContact CD1-CG1 4.47Å; F386-I390 HydrophobicContact CD2-CD1 4.28Å; F386-I390 HydrophobicContact CE1-CD1 4.28Å; F386-I390 HydrophobicContact CE1-CG1 4.06Å; F386-I390 HydrophobicContact CE2-CD1 3.75Å; F386-I390 HydrophobicContact CE2-CG1 4.4Å; F386-I390 HydrophobicContact CZ-CD1 3.75Å; F386-I390 HydrophobicContact CZ-CG1 4.04Å; F386-I390 WeakPolarHBondContact O-CG1 3.37Å; F386-I390 PolarHBondContact O-N 3.49Å; W387-I390 HydrophobicContact CE3-CB 4.41Å; W387-I390 HydrophobicContact CE3-CG1 4.11Å; W387-I390 PolarHBondContact O-N 3.43Å; I390-L392 HydrophobicContact CG2-CD2 3.7Å; I390-L392 HydrophobicContact CG2-CG 4.05Å; I390-L392 PolarHBondContact O-N 3Å; I390-L392 VanDerWaalsContact O-N 3.15Å; I390-A401 VanDerWaalsContact O-CA 3.27Å; I390-A401 WeakPolarHBondContact O-CA 3.42Å
391P95.4Very high94Very high46 Ų4646.5 Ų46.530%0.29925%0.253SS..  trans-81.295.6176.432.9-31.5000109.1W210 Q389 F399W210-P391 PolarHBondContact NE1-O 3.14Å; Q389-P391 VanDerWaalsContact O-CD 3.24Å; Q389-P391 WeakPolarHBondContact O-CD 3.47Å; P391-F399 HydrophobicContact CB-CB 3.83Å; P391-F399 HydrophobicContact CB-CD1 4.42Å; P391-F399 HydrophobicContact CB-CG 4.47Å; P391-F399 WeakPolarHBondContact O-CD1 3.42Å
392L96.3Very high93.9Very high13 Ų1341.6 Ų41.67%0.06823%0.231CC..EExtended strand (participates in β ladder)trans-77.9138.3178.5-64.2173.1000110.9L27 W210 L247 T254 I390 H394 F399 H400 A402L27-L392 HydrophobicContact CD2-CD1 4.25Å; L27-L392 HydrophobicContact CD2-CD2 4.28Å; W210-L392 HydrophobicContact CZ2-CD2 4.24Å; L247-L392 HydrophobicContact CD1-CD2 3.99Å; T254-L392 HydrophobicContact CG2-CD2 4.11Å; I390-L392 HydrophobicContact CG2-CD2 3.7Å; I390-L392 HydrophobicContact CG2-CG 4.05Å; I390-L392 PolarHBondContact O-N 3Å; I390-L392 VanDerWaalsContact O-N 3.15Å; L392-H394 PolarHBondContact O-N 3.37Å; L392-F399 VanDerWaalsContact O-CA 3.23Å; L392-F399 WeakPolarHBondContact O-CA 3.42Å; L392-H400 WeakPolarHBondContact CB-O 3.46Å; L392-H400 PolarHBondContact N-O 3.44Å; L392-H400 PolarHBondContact O-N 2.8Å; L392-A402 HydrophobicContact CD1-CB 3.75Å
393P94.2Very high94Very high19 Ų1937.9 Ų37.912%0.12322%0.215CC..EExtended strand (participates in β ladder)trans-60.2134.2177.6-20.931.1000112L193 W210 D249 F399L193-P393 HydrophobicContact CD1-CB 4.36Å; L193-P393 HydrophobicContact CD1-CG 4.07Å; W210-P393 HydrophobicContact CD2-CG 4.1Å; W210-P393 HydrophobicContact CE3-CG 4.42Å; W210-P393 HydrophobicContact CH2-CG 4.3Å; W210-P393 VanDerWaalsContact CZ2-CD 3.46Å; W210-P393 HydrophobicContact CZ2-CG 4.01Å; D249-P393 HydrophobicContact CB-CG 3.9Å; P393-F399 HydrophobicContact CB-CD1 4.33Å; P393-F399 HydrophobicContact CB-CE1 4.01Å; P393-F399 HydrophobicContact CG-CD1 4.25Å; P393-F399 HydrophobicContact CG-CE1 3.84Å
394H87.8Confident94Very high100 Ų10037.9 Ų37.946%0.46322%0.215SC..EExtended strand (participates in β ladder)trans-138.4136.1176-172.773.1000111.2L392 T396 T398 H400L392-H394 PolarHBondContact O-N 3.37Å; H394-T396 PolarHBondContact O-N 2.92Å; H394-T398 PolarHBondContact N-O 3.07Å; H394-T398 PolarHBondContact O-N 2.66Å; H394-T398 PolarHBondContact O-OG1 2.9Å; H394-H400 WeakPolarHBondContact CB-CD2 3.31Å; H394-H400 WeakPolarHBondContact CB-NE2 3.43Å; H394-H400 AromaticContact CD2-CD2 3.87Å; H394-H400 AromaticContact CD2-NE2 3.73Å; H394-H400 AromaticContact CE1-NE2 3.86Å; H394-H400 AromaticContact CG-CD2 3.47Å; H394-H400 VanDerWaalsContact CG-CD2 3.47Å; H394-H400 AromaticContact CG-NE2 3.08Å; H394-H400 AromaticContact ND1-NE2 3.19Å; H394-H400 PolarHBondContact ND1-NE2 2.82Å; H394-H400 VanDerWaalsContact ND1-NE2 3.19Å
395G85.3Confident93.9Very high55 Ų5538 Ų3857%0.56722%0.215SC*.THydrogen-bonded Turntrans53.5-134.8-175.100000112.2
396T83.8Confident93.8Very high76 Ų7636.7 Ų36.747%0.46621%0.207SC..THydrogen-bonded Turntrans-100.7-18.8-174.157.40000114.8R226 H394R226-T396 VanDerWaalsContact CB-O 3.28Å; R226-T396 WeakPolarHBondContact CB-O 3.46Å; R226-T396 PolarHBondContact N-O 2.96Å; H394-T396 PolarHBondContact O-N 2.92Å
397H84.3Confident93.7Very high124 Ų12437.3 Ų37.357%0.57421%0.214SC*.THydrogen-bonded Turntrans-155.91.4-172.759.9-79.4000113.8T225T225-H397 HydrophobicContact CG2-CB 4.32Å
398T90.1Very high93.6Very high60 Ų6040.4 Ų40.437%0.36823%0.229SC..EExtended strand (participates in β ladder)trans-103.2154.4-177.160.50000110.6H394H394-T398 PolarHBondContact N-O 3.07Å; H394-T398 PolarHBondContact O-N 2.66Å; H394-T398 PolarHBondContact O-OG1 2.9Å
399F94.2Very high93.5Very high85 Ų8544 Ų4437%0.37324%0.243SC..EExtended strand (participates in β ladder)trans-135.6137175.7-63.9-100.8000108.6W210 L222 P391 L392 P393W210-F399 AromaticContact CD1-CD1 3.98Å; W210-F399 AromaticContact CD1-CE1 3.67Å; W210-F399 HydrophobicContact CG-CE1 4.13Å; L222-F399 HydrophobicContact CD1-CE1 4.28Å; L222-F399 HydrophobicContact CD1-CE2 4.22Å; L222-F399 HydrophobicContact CD1-CZ 3.5Å; L222-F399 VanDerWaalsContact CD1-CZ 3.5Å; P391-F399 HydrophobicContact CB-CB 3.83Å; P391-F399 HydrophobicContact CB-CD1 4.42Å; P391-F399 HydrophobicContact CB-CG 4.47Å; P391-F399 WeakPolarHBondContact O-CD1 3.42Å; L392-F399 VanDerWaalsContact O-CA 3.23Å; L392-F399 WeakPolarHBondContact O-CA 3.42Å; P393-F399 HydrophobicContact CB-CD1 4.33Å; P393-F399 HydrophobicContact CB-CE1 4.01Å; P393-F399 HydrophobicContact CG-CD1 4.25Å; P393-F399 HydrophobicContact CG-CE1 3.84Å
400H94.2Very high93.5Very high30 Ų3040.4 Ų40.414%0.13923%0.227CC..EExtended strand (participates in β ladder)trans-143.1152.5175.759.172000110.8L392 H394 Q409L392-H400 WeakPolarHBondContact CB-O 3.46Å; L392-H400 PolarHBondContact N-O 3.44Å; L392-H400 PolarHBondContact O-N 2.8Å; H394-H400 WeakPolarHBondContact CB-CD2 3.31Å; H394-H400 WeakPolarHBondContact CB-NE2 3.43Å; H394-H400 AromaticContact CD2-CD2 3.87Å; H394-H400 AromaticContact CD2-NE2 3.73Å; H394-H400 AromaticContact CE1-NE2 3.86Å; H394-H400 AromaticContact CG-CD2 3.47Å; H394-H400 VanDerWaalsContact CG-CD2 3.47Å; H394-H400 AromaticContact CG-NE2 3.08Å; H394-H400 AromaticContact ND1-NE2 3.19Å; H394-H400 PolarHBondContact ND1-NE2 2.82Å; H394-H400 VanDerWaalsContact ND1-NE2 3.19Å; H400-Q409 HydrophobicContact CB-CG 3.96Å
401A96.6Very high93.2Very high22 Ų2243 Ų4318%0.18225%0.245CC..  trans-73.413916800000109.5S388 I390 L410S388-A401 WeakPolarHBondContact O-CB 3.44Å; I390-A401 VanDerWaalsContact O-CA 3.27Å; I390-A401 WeakPolarHBondContact O-CA 3.42Å; A401-L410 HydrophobicContact CB-CB 4.41Å; A401-L410 HydrophobicContact CB-CD1 4.01Å; A401-L410 HydrophobicContact CB-CG 4.45Å; A401-L410 PolarHBondContact O-N 2.75Å
402A96.9Very high92.8Very high2 Ų244.2 Ų44.22%0.01727%0.266CS..BIsolated β-bridgetrans-134.2152.817600000110.3L392 Q408L392-A402 HydrophobicContact CD1-CB 3.75Å; A402-Q408 CarbonylContact C-O 3.5Å; A402-Q408 VanDerWaalsContact CA-O 3.3Å; A402-Q408 WeakPolarHBondContact CA-O 3.26Å; A402-Q408 WeakPolarHBondContact CB-O 3.47Å
403C97.8Very high92.2Very high1 Ų153 Ų531%0.00731%0.307CS..  trans-61.4124.3172.1173.70000109.5F372 F405 C406 A407 Q408 L410F372-C403 HydrophobicContact CB-CB 4.25Å; F372-C403 HydrophobicContact CD2-CB 4.31Å; F372-C403 HydrophobicContact CG-CB 4.22Å; C403-F405 PolarHBondContact O-N 3.06Å; C403-F405 PolarHBondContact SG-N 3.05Å; C403-C406 PolarHBondContact O-N 2.88Å; C403-A407 VanDerWaalsContact O-CA 3.22Å; C403-A407 WeakPolarHBondContact O-CA 3.45Å; C403-A407 PolarHBondContact O-N 2.98Å; C403-Q408 PolarHBondContact N-O 2.86Å; C403-L410 HydrophobicContact CB-CD2 3.91Å
404P97.6Very high92.1Very high1 Ų157.7 Ų57.71%0.00633%0.327CS..THydrogen-bonded Turntrans-66.2-22.6-178.830.6-39.2000112.3G28 F361 F372 W387G28-P404 PolarHBondContact N-O 2.84Å; F361-P404 HydrophobicContact CB-CB 4.32Å; F361-P404 HydrophobicContact CB-CG 4.4Å; F361-P404 HydrophobicContact CD2-CB 3.83Å; F361-P404 HydrophobicContact CD2-CG 4.33Å; F361-P404 HydrophobicContact CE2-CB 4.27Å; F361-P404 WeakPolarHBondContact CE2-O 3.42Å; F361-P404 HydrophobicContact CG-CB 4Å; F372-P404 HydrophobicContact CE2-CG 4.28Å; F372-P404 HydrophobicContact CZ-CG 4.41Å; W387-P404 HydrophobicContact CB-CG 4.22Å; W387-P404 HydrophobicContact CD2-CB 3.61Å; W387-P404 HydrophobicContact CD2-CG 3.69Å; W387-P404 HydrophobicContact CE3-CB 3.87Å; W387-P404 HydrophobicContact CE3-CG 4.37Å; W387-P404 HydrophobicContact CG-CB 4.09Å; W387-P404 HydrophobicContact CG-CG 3.59Å; W387-P404 HydrophobicContact CH2-CB 4.1Å; W387-P404 HydrophobicContact CZ2-CB 3.86Å; W387-P404 HydrophobicContact CZ2-CG 4.49Å; W387-P404 HydrophobicContact CZ3-CB 4.12Å
405F96.5Very high92.5Very high1 Ų153.2 Ų53.20%0.00431%0.307CS..THydrogen-bonded Turntrans-81.2-32.5-176.9-56.4-69.5000113.2G28 Y29 N30 G356 E358 F361 Y362 F372 H377 C379 C403G28-F405 CarbonylContact C-O 3.57Å; G28-F405 WeakPolarHBondContact CA-O 3.2Å; Y29-F405 CarbonylContact C-O 3.1Å; Y29-F405 PolarHBondContact N-O 3.27Å; Y29-F405 VanDerWaalsContact N-O 3.09Å; N30-F405 HydrophobicContact CB-CB 4.06Å; N30-F405 WeakPolarHBondContact CB-O 3.47Å; N30-F405 PolarHBondContact N-O 3.06Å; N30-F405 WeakPolarHBondContact OD1-CD1 3.44Å; G356-F405 VanDerWaalsContact CA-CE1 3.42Å; E358-F405 HydrophobicContact CB-CD1 4.37Å; E358-F405 HydrophobicContact CB-CE1 4.38Å; F361-F405 HydrophobicContact CB-CE1 4.07Å; F361-F405 HydrophobicContact CB-CZ 4.28Å; F361-F405 AromaticContact CD2-CD1 3.6Å; F361-F405 HydrophobicContact CD2-CD1 3.6Å; F361-F405 AromaticContact CD2-CE1 3.63Å; F361-F405 HydrophobicContact CD2-CE1 3.63Å; F361-F405 HydrophobicContact CD2-CG 4.43Å; F361-F405 HydrophobicContact CD2-CZ 4.47Å; F361-F405 HydrophobicContact CE2-CD1 4.21Å; F361-F405 HydrophobicContact CG-CE1 4.35Å; Y362-F405 HydrophobicContact CD2-CZ 4.49Å; Y362-F405 HydrophobicContact CE2-CE1 4.09Å; Y362-F405 AromaticContact CE2-CZ 3.85Å; Y362-F405 HydrophobicContact CE2-CZ 3.85Å; F372-F405 HydrophobicContact CD2-CD2 4.3Å; F372-F405 HydrophobicContact CD2-CE2 4.47Å; F372-F405 HydrophobicContact CE2-CD2 4.04Å; F372-F405 AromaticContact CE2-CE2 3.88Å; F372-F405 HydrophobicContact CE2-CE2 3.88Å; H377-F405 HydrophobicContact CB-CB 4.38Å; H377-F405 HydrophobicContact CB-CD2 3.93Å; C379-F405 HydrophobicContact CB-CE2 4.05Å; C379-F405 HydrophobicContact CB-CZ 4.29Å; C403-F405 PolarHBondContact O-N 3.06Å; C403-F405 PolarHBondContact SG-N 3.05Å
406C94.9Very high93.1Very high9 Ų952.3 Ų52.36%0.06129%0.287CS..THydrogen-bonded Turntrans-133.12.7-177.468.30000115.7G28 G124 C375 C403 Q408G28-C406 WeakPolarHBondContact O-CA 3.43Å; G124-C406 PolarHBondContact N-O 3.01Å; C375-C406 VanDerWaalsContact SG-SG 3.61Å; C403-C406 PolarHBondContact O-N 2.88Å; C406-Q408 PolarHBondContact O-N 2.91Å; C406-Q408 WeakPolarHBondContact SG-CB 3.27Å
407A95.3Very high93.7Very high22 Ų2250.2 Ų50.218%0.18227%0.273CS..  trans56.912.9-177.400000114.9T121 A123 C403 Q409T121-A407 HydrophobicContact CG2-CB 3.5Å; T121-A407 VanDerWaalsContact CG2-CB 3.5Å; A123-A407 HydrophobicContact CB-CB 4.42Å; A123-A407 WeakPolarHBondContact CB-O 3.5Å; C403-A407 VanDerWaalsContact O-CA 3.22Å; C403-A407 WeakPolarHBondContact O-CA 3.45Å; C403-A407 PolarHBondContact O-N 2.98Å; A407-Q409 PolarHBondContact O-N 3.22Å
408Q94.9Very high94.4Very high65 Ų6552.6 Ų52.630%0.30428%0.277SS..PPolyproline II helixtrans-64.4126.1170.7-175.465.139.600108.8P374 C375 A402 C403 C406 L410P374-Q408 HydrophobicContact CG-CG 4.02Å; C375-Q408 HydrophobicContact CB-CB 3.93Å; C375-Q408 HydrophobicContact CB-CG 4.07Å; A402-Q408 CarbonylContact C-O 3.5Å; A402-Q408 VanDerWaalsContact CA-O 3.3Å; A402-Q408 WeakPolarHBondContact CA-O 3.26Å; A402-Q408 WeakPolarHBondContact CB-O 3.47Å; C403-Q408 PolarHBondContact N-O 2.86Å; C406-Q408 PolarHBondContact O-N 2.91Å; C406-Q408 WeakPolarHBondContact SG-CB 3.27Å; Q408-L410 PolarHBondContact O-N 2.83Å
409Q95.1Very high94.7Very high98 Ų9850.3 Ų50.346%0.45826%0.262SS..BIsolated β-bridgetrans-56.1131.9173-179.3175.2400110P374 H400 A407P374-Q409 VanDerWaalsContact CD-O 3.3Å; P374-Q409 WeakPolarHBondContact CD-O 3.44Å; H400-Q409 HydrophobicContact CB-CG 3.96Å; A407-Q409 PolarHBondContact O-N 3.22Å
410L95.8Very high94.9Very high19 Ų1949.5 Ų49.510%0.09926%0.261CS..PPolyproline II helixtrans-77.6146.5179.2-58.5-178.2000110.8F372 S373 A401 C403 Q408F372-L410 HydrophobicContact CB-CD2 3.76Å; F372-L410 HydrophobicContact CD1-CD1 3.7Å; F372-L410 HydrophobicContact CD1-CD2 3.65Å; F372-L410 HydrophobicContact CD1-CG 4.35Å; F372-L410 HydrophobicContact CE1-CD1 3.97Å; F372-L410 HydrophobicContact CG-CD2 4Å; S373-L410 VanDerWaalsContact O-CA 3.25Å; S373-L410 WeakPolarHBondContact O-CA 3.3Å; S373-L410 WeakPolarHBondContact O-CD2 3.41Å; A401-L410 HydrophobicContact CB-CB 4.41Å; A401-L410 HydrophobicContact CB-CD1 4.01Å; A401-L410 HydrophobicContact CB-CG 4.45Å; A401-L410 PolarHBondContact O-N 2.75Å; C403-L410 HydrophobicContact CB-CD2 3.91Å; Q408-L410 PolarHBondContact O-N 2.83Å
411S90.4Very high94.8Very high56 Ų5650.8 Ų50.839%0.39227%0.266SS..  trans-131.3159.6-179.166.60000112.4S373 G415S373-S411 PolarHBondContact O-N 3.01Å; S373-S411 PolarHBondContact OG-OG 3.22Å; S411-G415 WeakPolarHBondContact O-CA 3.34Å
412G86.3Confident94.2Very high71 Ų7152.8 Ų52.873%0.73227%0.272SS*.SBendtrans87.8176.5-173.900000112.5Q414G412-Q414 PolarHBondContact O-N 2.77Å
413E85.1Confident92.8Very high198 Ų19855 Ų5593%0.92530%0.295SS*.SBendtrans-62.4-41.6-174.6-172.7177.8-176.700112.5
414Q91.9Very high90.9Very high117 Ų11759 Ų5955%0.54732%0.321SS..SBendtrans-102.5-19.8-178.5-63.8-176.6-4.800113.7S388 G412 Y416S388-Q414 WeakPolarHBondContact CB-O 2.91Å; G412-Q414 PolarHBondContact O-N 2.77Å; Q414-Y416 HydrophobicContact CB-CD1 4.21Å; Q414-Y416 HydrophobicContact CB-CE1 4.01Å; Q414-Y416 WeakPolarHBondContact O-CD1 3.27Å; Q414-Y416 WeakPolarHBondContact O-CE1 3.08Å; Q414-Y416 PolarHBondContact O-N 3.41Å
415G95.6Very high88.4Confident5 Ų566.6 Ų66.65%0.05236%0.36CS..SBendtrans75.1-3.2-173.900000115.3S373 S411S373-G415 PolarHBondContact N-O 3.21Å; S411-G415 WeakPolarHBondContact O-CA 3.34Å
416Y97.8Very high85.7Confident37 Ų3778 Ų7815%0.14542%0.421CS..EExtended strand (participates in β ladder)trans-148.5168176.266.4-88.1000110.6H370 T371 A384 T385 S388 Q414H370-Y416 HydrophobicContact CB-CD2 4.39Å; H370-Y416 AromaticContact CD2-CD2 3.75Å; H370-Y416 AromaticContact CD2-CE2 3.84Å; T371-Y416 CarbonylContact O-C 3.54Å; T371-Y416 WeakPolarHBondContact O-CA 3.46Å; T371-Y416 VanDerWaalsContact O-CB 3.25Å; T371-Y416 WeakPolarHBondContact O-CB 3.34Å; A384-Y416 HydrophobicContact CB-CD1 4.22Å; A384-Y416 HydrophobicContact CB-CD2 3.88Å; A384-Y416 HydrophobicContact CB-CE2 4.48Å; A384-Y416 HydrophobicContact CB-CG 3.75Å; T385-Y416 PolarHBondContact OG1-OH 3.42Å; T385-Y416 VanDerWaalsContact OG1-OH 3.08Å; S388-Y416 WeakPolarHBondContact OG-CD1 3.44Å; S388-Y416 VanDerWaalsContact OG-CE1 3.25Å; S388-Y416 WeakPolarHBondContact OG-CE1 3.3Å; Q414-Y416 HydrophobicContact CB-CD1 4.21Å; Q414-Y416 HydrophobicContact CB-CE1 4.01Å; Q414-Y416 WeakPolarHBondContact O-CD1 3.27Å; Q414-Y416 WeakPolarHBondContact O-CE1 3.08Å; Q414-Y416 PolarHBondContact O-N 3.41Å
417I97.3Very high85.2Confident32 Ų3281.4 Ų81.416%0.16444%0.439CS..EExtended strand (participates in β ladder)trans-144.2146.2178.8-170.3161.3000111.6L313 H370 T371L313-I417 HydrophobicContact CD2-CG2 3.87Å; L313-I417 WeakPolarHBondContact O-CD1 3.48Å; H370-I417 CarbonylContact C-O 3.53Å; H370-I417 WeakPolarHBondContact CA-O 3.47Å; T371-I417 HydrophobicContact CG2-CG2 3.47Å; T371-I417 VanDerWaalsContact CG2-CG2 3.47Å; T371-I417 PolarHBondContact N-O 3.47Å; T371-I417 PolarHBondContact O-N 3.05Å
418R97.9Very high84.7Confident173 Ų17384.5 Ų84.565%0.65345%0.453SS*.EExtended strand (participates in β ladder)trans-69.8135.2172.6-175174.2172.9-178.6-0.9110.6G316 H370G316-R418 VanDerWaalsContact CA-O 3.25Å; G316-R418 WeakPolarHBondContact CA-O 3.27Å; H370-R418 VanDerWaalsContact CD2-CA 3.43Å; H370-R418 WeakPolarHBondContact CD2-CA 3.11Å; H370-R418 WeakPolarHBondContact NE2-CB 3.36Å
419L97.8Very high84.2Confident12 Ų1285.6 Ų85.66%0.06346%0.461CS..  trans-82.1135.9174.7-62.3-178.9000111.2V311 V318 L353 T369 T371 V378 F421V311-L419 HydrophobicContact CB-CD2 4.25Å; V311-L419 HydrophobicContact CG2-CD2 3.72Å; V318-L419 HydrophobicContact CG2-CB 4.09Å; V318-L419 HydrophobicContact CG2-CD2 3.99Å; L353-L419 HydrophobicContact CD1-CD1 3.76Å; L353-L419 HydrophobicContact CD1-CD2 3.8Å; L353-L419 HydrophobicContact CD1-CG 4.44Å; L353-L419 HydrophobicContact CD2-CD2 4.12Å; T369-L419 WeakPolarHBondContact O-CB 3.49Å; T369-L419 PolarHBondContact O-N 2.82Å; T371-L419 HydrophobicContact CG2-CD2 3.55Å; T371-L419 HydrophobicContact CG2-CG 4.38Å; V378-L419 HydrophobicContact CG1-CD1 3.57Å; V378-L419 HydrophobicContact CG2-CD1 4.04Å; L419-F421 HydrophobicContact CB-CD2 4.21Å; L419-F421 HydrophobicContact CB-CE2 3.76Å; L419-F421 HydrophobicContact CD1-CE2 3.86Å; L419-F421 HydrophobicContact CD1-CZ 4.11Å; L419-F421 HydrophobicContact CG-CE2 4.47Å
420I96.6Very high83.5Confident68 Ų6884.9 Ų84.935%0.34946%0.461SS..BIsolated β-bridgetrans-119.496177.3-53175.4000107.5C315 G316 V318C315-I420 WeakPolarHBondContact O-CD1 3.39Å; G316-I420 PolarHBondContact O-N 3.28Å; V318-I420 PolarHBondContact N-O 2.92Å
421F93.1Very high82.7Confident58 Ų5889 Ų8925%0.25448%0.484SS..PPolyproline II helixtrans-83.4146.7171.3-68.7-89.8000110P284 F295 P309 V318 L419P284-F421 HydrophobicContact CB-CB 4.32Å; P284-F421 HydrophobicContact CB-CD1 3.58Å; P284-F421 HydrophobicContact CB-CE1 4.29Å; P284-F421 HydrophobicContact CB-CG 4.3Å; P284-F421 HydrophobicContact CG-CD1 4.19Å; P284-F421 HydrophobicContact CG-CE1 4.45Å; F295-F421 HydrophobicContact CE2-CE1 4.28Å; F295-F421 AromaticContact CE2-CZ 3.79Å; F295-F421 HydrophobicContact CE2-CZ 3.79Å; F295-F421 HydrophobicContact CZ-CZ 4.13Å; P309-F421 HydrophobicContact CB-CE1 4.36Å; P309-F421 HydrophobicContact CG-CE1 4.42Å; V318-F421 HydrophobicContact CB-CD1 3.95Å; V318-F421 HydrophobicContact CB-CE1 4.1Å; V318-F421 HydrophobicContact CB-CG 4.37Å; V318-F421 HydrophobicContact CG1-CD1 3.78Å; V318-F421 HydrophobicContact CG1-CE1 3.56Å; V318-F421 HydrophobicContact CG1-CZ 4.23Å; V318-F421 HydrophobicContact CG2-CD1 4.2Å; V318-F421 HydrophobicContact CG2-CD2 4.36Å; V318-F421 HydrophobicContact CG2-CE1 4.12Å; V318-F421 HydrophobicContact CG2-CE2 4.24Å; V318-F421 HydrophobicContact CG2-CG 4.34Å; V318-F421 HydrophobicContact CG2-CZ 4.11Å; L419-F421 HydrophobicContact CB-CD2 4.21Å; L419-F421 HydrophobicContact CB-CE2 3.76Å; L419-F421 HydrophobicContact CD1-CE2 3.86Å; L419-F421 HydrophobicContact CD1-CZ 4.11Å; L419-F421 HydrophobicContact CG-CE2 4.47Å
422Q83.9Confident82.2Confident64 Ų6491.2 Ų91.230%0.29949%0.49SS..BIsolated β-bridgetrans-84.3132.2164.8-60.2-59.9-36.900109.2Q285 P287Q285-Q422 PolarHBondContact N-O 2.97Å; P287-Q422 HydrophobicContact CB-CG 4.03Å; P287-Q422 HydrophobicContact CG-CG 3.59Å
423G68Low81.9Confident48 Ų4892.6 Ų92.650%0.49547%0.473SS..PPolyproline II helixtrans-72.5169.3171.800000111.9L425G423-L425 PolarHBondContact O-N 3.24Å
424P56.6Low81.7Confident85 Ų8584.5 Ų84.555%0.55244%0.438SS*.SBendtrans-52.2134.7159.3-16.329.5000108.5D426P424-D426 PolarHBondContact O-N 3.16Å
425L46.3Very low80.9Confident160 Ų16081.8 Ų81.884%0.83843%0.429SS*.PPolyproline II helixtrans-46.3122.7178.6-64.2156.1000109.8G423G423-L425 PolarHBondContact O-N 3.24Å
426D39.6Very low79.5Confident240 Ų24088.8 Ų88.8100%1.28346%0.463SS*.  trans-61.80155.1-76.5-30.8000109.4P424P424-D426 PolarHBondContact O-N 3.16Å

Retrieved 426 of 426 residues in 175.2 ms (Link to these results)

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