A0A087XXP6_POEFO Loading...

PLD phosphodiesterase domain-containing protein

AlphaFold DB , UniProt , Accession A0A087XXP6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 433 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
1M33.7Very low38.9Very low242 Ų242110.8 Ų110.8100%1.19258%0.58SS**  0103.20-94.3176.5179.800107.7
2A29.1Very low39.2Very low95 Ų95108 Ų10879%0.78560%0.598SS**  trans-80.1113.7168.200000107.1I4A2-I4 PolarHBondContact O-N 3.49Å; A2-I4 VanDerWaalsContact O-N 3.1Å
3L29.9Very low40.1Very low137 Ų137104.2 Ų104.272%0.71757%0.573SS**  trans-72.597168.8-77.6160.1000106.8F5L3-F5 VanDerWaalsContact C-N 3.34Å; L3-F5 HydrophobicContact CB-CD2 4.11Å; L3-F5 HydrophobicContact CB-CE2 3.6Å; L3-F5 HydrophobicContact CB-CZ 3.96Å; L3-F5 HydrophobicContact CD1-CE2 4.34Å; L3-F5 HydrophobicContact CD1-CZ 4.06Å; L3-F5 WeakPolarHBondContact O-CD2 2.9Å; L3-F5 PolarHBondContact O-N 2.95Å; L3-F5 VanDerWaalsContact O-N 3.07Å
4I34.7Very low40.6Very low158 Ų158107.9 Ų107.981%0.8159%0.592SS**  trans-74.295.9168.5-57.4175.5000105.7A2 S6A2-I4 PolarHBondContact O-N 3.49Å; A2-I4 VanDerWaalsContact O-N 3.1Å; I4-S6 PolarHBondContact O-N 3.4Å
5F36.6Very low41.4Very low142 Ų142110.4 Ų110.462%0.62360%0.598SS**  trans-71.2106.5170.8-68.2-83.2000107.7L3 A7L3-F5 VanDerWaalsContact C-N 3.34Å; L3-F5 HydrophobicContact CB-CD2 4.11Å; L3-F5 HydrophobicContact CB-CE2 3.6Å; L3-F5 HydrophobicContact CB-CZ 3.96Å; L3-F5 HydrophobicContact CD1-CE2 4.34Å; L3-F5 HydrophobicContact CD1-CZ 4.06Å; L3-F5 WeakPolarHBondContact O-CD2 2.9Å; L3-F5 PolarHBondContact O-N 2.95Å; L3-F5 VanDerWaalsContact O-N 3.07Å; F5-A7 PolarHBondContact O-N 3.3Å
6S39.7Very low42.1Very low46 Ų46108.1 Ų108.132%0.32258%0.582SS.*  trans-71.577.3171.5169.30000109.2I4I4-S6 PolarHBondContact O-N 3.4Å
7A47.1Very low42.8Very low48 Ų48106.1 Ų106.140%0.39757%0.574SS.*  trans-78.8144.4162.300000109F5 D9F5-A7 PolarHBondContact O-N 3.3Å; A7-D9 PolarHBondContact O-N 3.47Å; A7-D9 VanDerWaalsContact O-N 3.14Å
8V49.5Very low43.4Very low10 Ų10105.5 Ų105.56%0.06157%0.567CS.*  trans-75.698.1163.2169.90000106.2I10 P204 W207V8-I10 HydrophobicContact CG1-CG1 4.32Å; V8-P204 HydrophobicContact CB-CG 4.49Å; V8-P204 HydrophobicContact CG2-CG 3.46Å; V8-P204 VanDerWaalsContact CG2-CG 3.46Å; V8-W207 HydrophobicContact CB-CZ3 4.49Å; V8-W207 HydrophobicContact CG2-CZ3 4.27Å
9D42.2Very low43.7Very low97 Ų97109.7 Ų109.752%0.51958%0.583SS.*  trans-79.9114.1168.6-87.6-28.3000108.7A7 W11A7-D9 PolarHBondContact O-N 3.47Å; A7-D9 VanDerWaalsContact O-N 3.14Å; D9-W11 VanDerWaalsContact O-CD1 3.27Å; D9-W11 PolarHBondContact O-N 3.08Å
10I48.9Very low44.2Very low26 Ų26111 Ų11113%0.13359%0.585CS.*  trans-84.8102.3166.9-59.4159.4000105.6V8 R210 L211V8-I10 HydrophobicContact CG1-CG1 4.32Å; I10-R210 PolarHBondContact O-NH1 3.06Å; I10-L211 HydrophobicContact CD1-CD1 4.18Å; I10-L211 HydrophobicContact CD1-CD2 3.41Å; I10-L211 VanDerWaalsContact CD1-CD2 3.41Å; I10-L211 HydrophobicContact CD1-CG 3.83Å
11W36.7Very low44.9Very low218 Ų218107.3 Ų107.383%0.82657%0.568SS**  trans-80.8131.3179.7-66.981.5000109.9D9D9-W11 VanDerWaalsContact O-CD1 3.27Å; D9-W11 PolarHBondContact O-N 3.08Å
12G42.2Very low46.3Very low77 Ų7799.2 Ų99.279%0.79454%0.536SS*.SBendtrans105.914.1160.100000119.4
13E51.1Low48.2Very low58 Ų5897.8 Ų97.827%0.27152%0.52SS..  trans-122.7127.6179.6-60.7-177.117400111.8R151 H188E13-R151 IonicContact OE1-CZ 3.39Å; E13-R151 IonicContact OE1-NH1 3.36Å; E13-R151 IonicContact OE1-NH2 3.39Å; E13-R151 PolarHBondContact OE1-NH2 3.4Å; E13-R151 IonicContact OE2-CZ 2.75Å; E13-R151 IonicContact OE2-NH1 3.22Å; E13-R151 PolarHBondContact OE2-NH1 2.76Å; E13-R151 IonicContact OE2-NH2 2.76Å; E13-R151 PolarHBondContact OE2-NH2 3.36Å; E13-H188 IonicContact OE1-CE1 3.1Å; E13-H188 IonicContact OE2-CE1 2.99Å; E13-H188 IonicContact OE2-NE2 3.18Å; E13-H188 PolarHBondContact OE2-NE2 2.82Å
14D47Very low50.8Low156 Ų15695.5 Ų95.583%0.83451%0.509SS*.  trans-61.4137.3178.3-69.2-38.4000110.6E16D14-E16 PolarHBondContact O-N 3.04Å
15E52.2Low53.4Low146 Ų14688.1 Ų88.168%0.68247%0.471SS*.  trans-71.188178.5-74.3-175.7173.700110.3T17 R210E15-T17 PolarHBondContact O-N 2.91Å; E15-R210 IonicContact OE1-NE 3.06Å
16E53.6Low56Low73 Ų7383.5 Ų83.534%0.34146%0.456SS..  trans-69.3117.5172.5-62.9-165138.600110.4D14 K181 L185D14-E16 PolarHBondContact O-N 3.04Å; E16-K181 WeakPolarHBondContact OE1-CE 3.47Å; E16-K181 IonicContact OE1-NZ 3.94Å; E16-K181 PolarHBondContact OE1-NZ 2.8Å; E16-K181 WeakPolarHBondContact OE2-CE 3.48Å; E16-K181 IonicContact OE2-NZ 3.01Å; E16-K181 PolarHBondContact OE2-NZ 2.91Å; E16-K181 VanDerWaalsContact OE2-NZ 3.14Å; E16-L185 HydrophobicContact CB-CD1 4.18Å; E16-L185 WeakPolarHBondContact OE2-CD1 3.12Å; E16-L185 WeakPolarHBondContact OE2-CD2 3.46Å
17T54.3Low58.5Low74 Ų7481.5 Ų81.545%0.45444%0.442SS..  trans-86.4155.9-175.555.60000113.6E15 E19 E20E15-T17 PolarHBondContact O-N 2.91Å; T17-E19 PolarHBondContact O-N 3.4Å; T17-E20 PolarHBondContact O-N 2.72Å
18E52.4Low60.7Low96 Ų9681.3 Ų81.345%0.44944%0.435SS..G310 helixtrans-53.7-26.3176.9-166177.1171.900113E20 F214 K219E18-E20 PolarHBondContact O-N 3.14Å; E18-F214 HydrophobicContact CB-CD1 4.26Å; E18-F214 HydrophobicContact CB-CE1 4.43Å; E18-K219 IonicContact OE1-NZ 2.91Å; E18-K219 PolarHBondContact OE1-NZ 3.49Å; E18-K219 IonicContact OE2-NZ 3.01Å; E18-K219 PolarHBondContact OE2-NZ 3.44Å
19E49.4Very low62.8Low186 Ų18680.9 Ų80.987%0.86943%0.433SS*.G310 helixtrans-73.6-18.5-173.8-67-174.8164.200115.2T17 C21T17-E19 PolarHBondContact O-N 3.4Å; E19-C21 VanDerWaalsContact C-N 3.34Å
20E53.9Low65.3Low135 Ų13576.3 Ų76.363%0.63141%0.408SS*.G310 helixtrans-90.65.5-178.2-68.8-168.3161.600114.3T17 E18T17-E20 PolarHBondContact O-N 2.72Å; E18-E20 PolarHBondContact O-N 3.14Å
21C59.1Low67.4Low33 Ų3375.3 Ų75.322%0.22340%0.403CS..  trans-95.6116.8-164.9-73.10000114.1E19 S23 P182E19-C21 VanDerWaalsContact C-N 3.34Å; C21-S23 PolarHBondContact O-N 3.24Å; C21-P182 HydrophobicContact CB-CG 3.32Å; C21-P182 VanDerWaalsContact SG-CG 3.58Å
22S62.8Low69.9Low73 Ų7365.7 Ų65.751%0.5137%0.368SS..  trans-54.7125.9160.91580000110.3N24S22-N24 VanDerWaalsContact C-N 3.34Å; S22-N24 PolarHBondContact OG-N 2.89Å
23S68.7Low72.1Confident65 Ų6563.8 Ų63.846%0.45534%0.339SS..  trans-88.12.2179.664.40000113.9C21 L224C21-S23 PolarHBondContact O-N 3.24Å; S23-L224 WeakPolarHBondContact O-CA 3.35Å; S23-L224 WeakPolarHBondContact O-CB 3.35Å; S23-L224 PolarHBondContact O-N 3.25Å
24N84.3Confident73.6Confident89 Ų8961 Ų6148%0.47633%0.326SS..EExtended strand (participates in β ladder)trans-96.6103.6-178.6-166.120.1000110.5S22 L224S22-N24 VanDerWaalsContact C-N 3.34Å; S22-N24 PolarHBondContact OG-N 2.89Å; N24-L224 WeakPolarHBondContact CA-O 3.46Å
25C89.3Confident74.8Confident3 Ų356.7 Ų56.72%0.0231%0.312CS..EExtended strand (participates in β ladder)trans-111152-178.1-55.60000110.3C180 L224 V225 N226C25-C180 HydrophobicContact CB-CB 3.54Å; C25-C180 WeakPolarHBondContact CB-SG 3.43Å; C25-C180 WeakPolarHBondContact SG-CA 3.46Å; C25-C180 WeakPolarHBondContact SG-CB 3.2Å; C25-C180 CovalentContact SG-SG 2.05Å; C25-C180 PolarHBondContact SG-SG 2.94Å; C25-L224 PolarHBondContact N-O 3.5Å; C25-V225 HydrophobicContact CB-CG2 4.13Å; C25-V225 VanDerWaalsContact O-CA 3.31Å; C25-V225 WeakPolarHBondContact O-CA 3.49Å; C25-N226 PolarHBondContact O-N 3.42Å
26S91.3Very high75.7Confident44 Ų4452.1 Ų52.131%0.30829%0.292SS..EExtended strand (participates in β ladder)trans-113131.4167.3-176.20000110.2V177 Y178 N226S26-V177 CarbonylContact O-C 3.59Å; S26-V177 WeakPolarHBondContact O-CA 3.36Å; S26-Y178 PolarHBondContact N-O 2.84Å; S26-Y178 PolarHBondContact O-N 2.82Å; S26-N226 VanDerWaalsContact CA-OD1 3.28Å; S26-N226 WeakPolarHBondContact CA-OD1 3.32Å; S26-N226 PolarHBondContact OG-OD1 3.36Å
27I92.4Very high76.8Confident4 Ų449.1 Ų49.12%0.02128%0.279CS..EExtended strand (participates in β ladder)trans-118.6130.5177-61.6-171.3000108.7V175 V177 V225 N226 I387 V400I27-V175 HydrophobicContact CG2-CB 4.06Å; I27-V175 HydrophobicContact CG2-CG1 4.09Å; I27-V177 HydrophobicContact CB-CG2 4.48Å; I27-V177 HydrophobicContact CD1-CG1 4.44Å; I27-V177 HydrophobicContact CD1-CG2 4.01Å; I27-V177 HydrophobicContact CG1-CB 4.29Å; I27-V177 HydrophobicContact CG1-CG1 3.91Å; I27-V177 HydrophobicContact CG1-CG2 3.76Å; I27-V177 HydrophobicContact CG2-CG2 4.29Å; I27-V225 HydrophobicContact CB-CG1 3.71Å; I27-V225 HydrophobicContact CD1-CB 4.4Å; I27-V225 HydrophobicContact CD1-CG1 3.67Å; I27-V225 HydrophobicContact CD1-CG2 3.81Å; I27-V225 HydrophobicContact CG1-CB 4.49Å; I27-V225 HydrophobicContact CG1-CG1 3.48Å; I27-V225 VanDerWaalsContact CG1-CG1 3.48Å; I27-V225 HydrophobicContact CG1-CG2 4.17Å; I27-N226 PolarHBondContact N-OD1 3.45Å; I27-N226 PolarHBondContact O-ND2 3.32Å; I27-I387 HydrophobicContact CD1-CD1 3.98Å; I27-V400 HydrophobicContact CB-CG2 4.17Å; I27-V400 HydrophobicContact CG2-CG2 3.89Å
28V93.4Very high78Confident44 Ų4454.4 Ų54.427%0.26729%0.29SS..EExtended strand (participates in β ladder)trans-124.2125.1177.4-177.80000108.5L47 V175 V176 Y178V28-L47 HydrophobicContact CG1-CB 4.04Å; V28-L47 HydrophobicContact CG1-CD2 4.03Å; V28-V175 WeakPolarHBondContact O-CA 3.47Å; V28-V176 PolarHBondContact N-O 3.14Å; V28-V176 PolarHBondContact O-N 3.12Å; V28-Y178 HydrophobicContact CB-CE2 4.49Å; V28-Y178 HydrophobicContact CG2-CD2 4.41Å; V28-Y178 HydrophobicContact CG2-CE2 4.02Å
29L94.3Very high79.3Confident2 Ų251 Ų511%0.0127%0.274CS..EExtended strand (participates in β ladder)trans-71132.4171.5-167.569.1000109H46 L173 G174 V175 Q403 L404 V407L29-H46 HydrophobicContact CB-CB 4.29Å; L29-H46 HydrophobicContact CD2-CB 4.49Å; L29-H46 HydrophobicContact CG-CB 4.45Å; L29-H46 WeakPolarHBondContact O-CB 3.46Å; L29-L173 HydrophobicContact CD1-CD1 3.86Å; L29-L173 HydrophobicContact CD1-CG 4.25Å; L29-L173 HydrophobicContact CD2-CD1 4.04Å; L29-L173 HydrophobicContact CG-CD1 3.96Å; L29-G174 VanDerWaalsContact CD1-O 3.3Å; L29-G174 WeakPolarHBondContact CD1-O 3.36Å; L29-V175 HydrophobicContact CD1-CG1 3.8Å; L29-Q403 HydrophobicContact CD2-CB 4.41Å; L29-L404 HydrophobicContact CD1-CD1 4.33Å; L29-L404 HydrophobicContact CD1-CD2 3.61Å; L29-L404 HydrophobicContact CD1-CG 3.95Å; L29-L404 HydrophobicContact CD2-CD2 3.93Å; L29-L404 HydrophobicContact CD2-CG 4.14Å; L29-L404 HydrophobicContact CG-CD2 4.47Å; L29-V407 HydrophobicContact CD2-CG2 3.76Å
30V94.3Very high80.5Confident0 Ų045.9 Ų45.90%026%0.259CS..EExtended strand (participates in β ladder)trans-120.7137.6175.7-67.50000109.5L47 L49 Y155 G174 V176V30-L47 VanDerWaalsContact CA-O 3.27Å; V30-L47 WeakPolarHBondContact CA-O 3.4Å; V30-L47 HydrophobicContact CG1-CB 4.17Å; V30-L47 HydrophobicContact CG1-CD2 4.1Å; V30-L47 HydrophobicContact CG1-CG 4.44Å; V30-L49 HydrophobicContact CB-CD1 4.37Å; V30-L49 HydrophobicContact CG2-CD1 3.83Å; V30-Y155 HydrophobicContact CG2-CD2 3.99Å; V30-Y155 HydrophobicContact CG2-CE2 3.74Å; V30-G174 WeakPolarHBondContact CG2-O 3.36Å; V30-G174 PolarHBondContact N-O 3.01Å; V30-G174 PolarHBondContact O-N 2.77Å; V30-G174 VanDerWaalsContact O-O 3.04Å; V30-V176 HydrophobicContact CB-CG2 4.42Å; V30-V176 HydrophobicContact CG1-CB 4.36Å; V30-V176 HydrophobicContact CG1-CG2 3.62Å; V30-V176 HydrophobicContact CG2-CG2 3.9Å
31E92.8Very high81.1Confident6 Ų647 Ų473%0.02827%0.269CS..EExtended strand (participates in β ladder)trans-139.8152.1176.368.2-179140.100111.3I33 H46 L47 P48 L49 K171 E172 L173 R410E31-I33 HydrophobicContact CG-CD1 4.22Å; E31-I33 HydrophobicContact CG-CG1 4.03Å; E31-H46 HydrophobicContact CG-CB 4.18Å; E31-H46 IonicContact OE1-CG 3.77Å; E31-H46 PolarHBondContact OE1-N 2.97Å; E31-H46 VanDerWaalsContact OE1-N 3.13Å; E31-H46 IonicContact OE1-ND1 2.68Å; E31-H46 PolarHBondContact OE1-ND1 3.42Å; E31-L47 PolarHBondContact N-O 3.33Å; E31-P48 WeakPolarHBondContact O-CA 3.42Å; E31-L49 PolarHBondContact O-N 3.44Å; E31-K171 IonicContact OE2-NZ 2.73Å; E31-K171 PolarHBondContact OE2-NZ 2.81Å; E31-E172 VanDerWaalsContact CA-O 3.28Å; E31-E172 WeakPolarHBondContact CA-O 3.14Å; E31-E172 WeakPolarHBondContact CB-O 3.29Å; E31-L173 HydrophobicContact CB-CD1 3.88Å; E31-R410 VanDerWaalsContact CD-NH1 3.31Å; E31-R410 IonicContact OE1-CZ 2.97Å; E31-R410 IonicContact OE1-NH1 3.69Å; E31-R410 PolarHBondContact OE1-NH1 3.48Å; E31-R410 IonicContact OE1-NH2 3.56Å; E31-R410 IonicContact OE2-CZ 3.34Å; E31-R410 IonicContact OE2-NH1 3.14Å; E31-R410 PolarHBondContact OE2-NH1 3.47Å; E31-R410 IonicContact OE2-NH2 3.95Å; E31-R410 PolarHBondContact OE2-NH2 2.85Å
32N90.3Very high81.5Confident15 Ų1553.2 Ų53.28%0.0830%0.3CS..EExtended strand (participates in β ladder)trans-107.9124.4163.9-176.951.9000108.1L49 S165 L166 T167 M170 K171 E172N32-L49 HydrophobicContact CB-CB 4.1Å; N32-L49 HydrophobicContact CB-CD2 4.25Å; N32-S165 WeakPolarHBondContact CB-O 3.48Å; N32-S165 PolarHBondContact ND2-O 3.45Å; N32-S165 VanDerWaalsContact ND2-O 3.11Å; N32-L166 PolarHBondContact OD1-O 2.72Å; N32-T167 PolarHBondContact ND2-N 2.71Å; N32-T167 VanDerWaalsContact ND2-N 3.19Å; N32-T167 PolarHBondContact ND2-O 2.94Å; N32-M170 PolarHBondContact ND2-O 2.88Å; N32-K171 WeakPolarHBondContact O-CA 3.3Å; N32-E172 HydrophobicContact CB-CB 4.15Å; N32-E172 PolarHBondContact N-O 2.73Å; N32-E172 PolarHBondContact O-N 3.18Å; N32-E172 VanDerWaalsContact O-N 3.16Å
33I86.8Confident82.1Confident37 Ų3750.8 Ų50.819%0.1928%0.283CS..  trans-114.5120.8175.2-60.9178.2000107.2E31 A35 M37 F39 F45 R410E31-I33 HydrophobicContact CG-CD1 4.22Å; E31-I33 HydrophobicContact CG-CG1 4.03Å; I33-A35 PolarHBondContact O-N 3.44Å; I33-M37 HydrophobicContact CG2-CB 3.85Å; I33-M37 HydrophobicContact CG2-SD 4.5Å; I33-F39 HydrophobicContact CD1-CE2 4.42Å; I33-F39 HydrophobicContact CG2-CD2 4.23Å; I33-F39 HydrophobicContact CG2-CE2 3.71Å; I33-F45 HydrophobicContact CD1-CD1 3.45Å; I33-F45 VanDerWaalsContact CD1-CD1 3.45Å; I33-F45 HydrophobicContact CD1-CE1 3.58Å; I33-R410 VanDerWaalsContact CD1-NH1 3.33Å
34P82.9Confident82.4Confident0 Ų049 Ų490%027%0.273CS..  trans-53.4134.8173.8-32.538.9000112.9D36 M37 T168 K171P34-D36 WeakPolarHBondContact CB-OD1 3.35Å; P34-D36 PolarHBondContact O-N 3.35Å; P34-D36 VanDerWaalsContact O-N 3.12Å; P34-M37 HydrophobicContact CB-CE 4.24Å; P34-M37 HydrophobicContact CB-CG 4.11Å; P34-M37 HydrophobicContact CB-SD 4.33Å; P34-M37 HydrophobicContact CG-CE 3.84Å; P34-M37 HydrophobicContact CG-SD 4.11Å; P34-M37 WeakPolarHBondContact O-CA 3.48Å; P34-M37 VanDerWaalsContact O-CB 3.28Å; P34-M37 WeakPolarHBondContact O-CB 3.5Å; P34-M37 PolarHBondContact O-N 3.05Å; P34-T168 WeakPolarHBondContact CB-O 3.43Å; P34-K171 HydrophobicContact CG-CB 4.3Å
35A73.2Confident82.1Confident66 Ų6649.9 Ų49.955%0.54527%0.272SS..THydrogen-bonded Turntrans-64.6-18.6-17500000114I33 M37 T168I33-A35 PolarHBondContact O-N 3.44Å; A35-M37 VanDerWaalsContact C-N 3.26Å; A35-T168 HydrophobicContact CB-CG2 3.48Å; A35-T168 VanDerWaalsContact CB-CG2 3.48Å
36D70.8Confident82Confident49 Ų4951.7 Ų51.726%0.26228%0.28SS..THydrogen-bonded Turntrans-82.1-4.3172.461.7-38.5000113.1P34 W38 R346 Y416P34-D36 WeakPolarHBondContact CB-OD1 3.35Å; P34-D36 PolarHBondContact O-N 3.35Å; P34-D36 VanDerWaalsContact O-N 3.12Å; D36-W38 PolarHBondContact O-NE1 2.84Å; D36-R346 IonicContact OD1-CZ 3.95Å; D36-R346 IonicContact OD1-NE 3.98Å; D36-R346 IonicContact OD1-NH2 3.09Å; D36-R346 PolarHBondContact OD1-NH2 2.85Å; D36-R346 VanDerWaalsContact OD1-NH2 3.09Å; D36-R346 IonicContact OD2-CZ 3.39Å; D36-R346 IonicContact OD2-NE 2.74Å; D36-R346 PolarHBondContact OD2-NE 2.93Å; D36-R346 IonicContact OD2-NH2 3.11Å; D36-R346 PolarHBondContact OD2-NH2 2.9Å; D36-R346 VanDerWaalsContact OD2-NH2 3.11Å; D36-Y416 PolarHBondContact O-OH 3.32Å; D36-Y416 VanDerWaalsContact O-OH 3.11Å
37M76.7Confident81.9Confident11 Ų1152.4 Ų52.45%0.05428%0.281CS..  trans-88.3114.4170.8-69.6-175.2-170.500111.6I33 P34 A35 F39 K171 F342 V344 Y416I33-M37 HydrophobicContact CG2-CB 3.85Å; I33-M37 HydrophobicContact CG2-SD 4.5Å; P34-M37 HydrophobicContact CB-CE 4.24Å; P34-M37 HydrophobicContact CB-CG 4.11Å; P34-M37 HydrophobicContact CB-SD 4.33Å; P34-M37 HydrophobicContact CG-CE 3.84Å; P34-M37 HydrophobicContact CG-SD 4.11Å; P34-M37 WeakPolarHBondContact O-CA 3.48Å; P34-M37 VanDerWaalsContact O-CB 3.28Å; P34-M37 WeakPolarHBondContact O-CB 3.5Å; P34-M37 PolarHBondContact O-N 3.05Å; A35-M37 VanDerWaalsContact C-N 3.26Å; M37-F39 HydrophobicContact CB-CD2 4.43Å; M37-F39 HydrophobicContact CB-CE2 3.8Å; M37-F39 HydrophobicContact CB-CZ 4.4Å; M37-F39 HydrophobicContact SD-CE2 4.35Å; M37-F39 HydrophobicContact SD-CZ 4.31Å; M37-K171 HydrophobicContact CE-CB 4.4Å; M37-K171 HydrophobicContact SD-CD 4.22Å; M37-F342 HydrophobicContact CE-CE1 3.66Å; M37-F342 HydrophobicContact CE-CZ 4.06Å; M37-F342 HydrophobicContact SD-CE1 4.31Å; M37-F342 HydrophobicContact SD-CZ 4.09Å; M37-V344 HydrophobicContact CE-CB 4.27Å; M37-V344 HydrophobicContact CE-CG1 3.97Å; M37-V344 HydrophobicContact CE-CG2 3.26Å; M37-Y416 WeakPolarHBondContact CA-OH 3.47Å; M37-Y416 HydrophobicContact CB-CE2 4.18Å; M37-Y416 HydrophobicContact CG-CE1 4.47Å; M37-Y416 HydrophobicContact CG-CE2 4.13Å
38W79Confident81.8Confident184 Ų18455.4 Ų55.470%0.69730%0.3SS*.  trans-104.6117.1177.7-54.689.1000108.7D36 Y416D36-W38 PolarHBondContact O-NE1 2.84Å; W38-Y416 PolarHBondContact N-OH 3.43Å; W38-Y416 VanDerWaalsContact N-OH 3.14Å
39F79.9Confident81.8Confident26 Ų2653.4 Ų53.411%0.11429%0.288CS..  trans-110.6160.5168.9-59.1-83.8000108.7I33 M37 S43 F45 R410 Y416I33-F39 HydrophobicContact CD1-CE2 4.42Å; I33-F39 HydrophobicContact CG2-CD2 4.23Å; I33-F39 HydrophobicContact CG2-CE2 3.71Å; M37-F39 HydrophobicContact CB-CD2 4.43Å; M37-F39 HydrophobicContact CB-CE2 3.8Å; M37-F39 HydrophobicContact CB-CZ 4.4Å; M37-F39 HydrophobicContact SD-CE2 4.35Å; M37-F39 HydrophobicContact SD-CZ 4.31Å; F39-S43 WeakPolarHBondContact CB-OG 3.25Å; F39-F45 HydrophobicContact CB-CZ 3.86Å; F39-F45 HydrophobicContact CD2-CE1 4.21Å; F39-F45 HydrophobicContact CD2-CZ 4.31Å; F39-R410 HydrophobicContact CB-CG 4.45Å; F39-R410 HydrophobicContact CD1-CG 3.55Å; F39-R410 HydrophobicContact CE1-CG 3.92Å; F39-R410 HydrophobicContact CG-CG 4.08Å; F39-Y416 HydrophobicContact CE1-CD2 4.46Å
40S75.1Confident81.6Confident77 Ų7754.1 Ų54.154%0.53829%0.293SS..  trans-64.2151.2174.853.50000110.7D42 S43S40-D42 PolarHBondContact O-N 2.94Å; S40-D42 VanDerWaalsContact O-N 3.14Å; S40-S43 PolarHBondContact N-OG 3.34Å; S40-S43 WeakPolarHBondContact O-CB 3.41Å; S40-S43 PolarHBondContact O-N 3.24Å; S40-S43 PolarHBondContact O-OG 3.37Å; S40-S43 PolarHBondContact OG-OG 3.06Å; S40-S43 VanDerWaalsContact OG-OG 3.04Å
41D65.6Low81.5Confident159 Ų15957.4 Ų57.485%0.8531%0.313SS*.THydrogen-bonded Turntrans-59-28.5-178.8-62.8-31.1000113.1S43D41-S43 PolarHBondContact O-N 2.88Å
42D68.6Low81.5Confident163 Ų16357.1 Ų57.187%0.87231%0.312SS*.THydrogen-bonded Turntrans-75.43.7174.6-60.4-40.2000114.2S40S40-D42 PolarHBondContact O-N 2.94Å; S40-D42 VanDerWaalsContact O-N 3.14Å
43S74.3Confident81.7Confident22 Ų2256.4 Ų56.415%0.15431%0.308CS..SBendtrans-75.1148.7-178.8-62.70000111.7F39 S40 D41 F45F39-S43 WeakPolarHBondContact CB-OG 3.25Å; S40-S43 PolarHBondContact N-OG 3.34Å; S40-S43 WeakPolarHBondContact O-CB 3.41Å; S40-S43 PolarHBondContact O-N 3.24Å; S40-S43 PolarHBondContact O-OG 3.37Å; S40-S43 PolarHBondContact OG-OG 3.06Å; S40-S43 VanDerWaalsContact OG-OG 3.04Å; D41-S43 PolarHBondContact O-N 2.88Å; S43-F45 WeakPolarHBondContact O-CD2 3.46Å; S43-F45 PolarHBondContact O-N 3.21Å
44A74.9Confident82.1Confident29 Ų2956.5 Ų56.524%0.2431%0.309CS..  trans-66.6117.5173.200000109.6A406 R410A44-A406 HydrophobicContact CB-CB 3.83Å; A44-R410 WeakPolarHBondContact O-CD 3.42Å; A44-R410 PolarHBondContact O-NH1 3.26Å
45F79.1Confident82.7Confident106 Ų10658.1 Ų58.147%0.46532%0.32SS..  trans-120136.1172.6-71.5-82.2000109.1I33 F39 S43I33-F45 HydrophobicContact CD1-CD1 3.45Å; I33-F45 VanDerWaalsContact CD1-CD1 3.45Å; I33-F45 HydrophobicContact CD1-CE1 3.58Å; F39-F45 HydrophobicContact CB-CZ 3.86Å; F39-F45 HydrophobicContact CD2-CE1 4.21Å; F39-F45 HydrophobicContact CD2-CZ 4.31Å; S43-F45 WeakPolarHBondContact O-CD2 3.46Å; S43-F45 PolarHBondContact O-N 3.21Å
46H86.3Confident83.8Confident41 Ų4155 Ų5519%0.1929%0.294CS..  trans-114.7179.6-178.8-5779.6000111.7L29 E31 V407L29-H46 HydrophobicContact CB-CB 4.29Å; L29-H46 HydrophobicContact CD2-CB 4.49Å; L29-H46 HydrophobicContact CG-CB 4.45Å; L29-H46 WeakPolarHBondContact O-CB 3.46Å; E31-H46 HydrophobicContact CG-CB 4.18Å; E31-H46 IonicContact OE1-CG 3.77Å; E31-H46 PolarHBondContact OE1-N 2.97Å; E31-H46 VanDerWaalsContact OE1-N 3.13Å; E31-H46 IonicContact OE1-ND1 2.68Å; E31-H46 PolarHBondContact OE1-ND1 3.42Å; H46-V407 WeakPolarHBondContact CE1-CG2 3.41Å
47L89.8Confident85Confident60 Ų6052.8 Ų52.831%0.31428%0.282SS..EExtended strand (participates in β ladder)trans-59131.8-177.3-173.572.1000109.9V28 V30 E31 L49 T51V28-L47 HydrophobicContact CG1-CB 4.04Å; V28-L47 HydrophobicContact CG1-CD2 4.03Å; V30-L47 VanDerWaalsContact CA-O 3.27Å; V30-L47 WeakPolarHBondContact CA-O 3.4Å; V30-L47 HydrophobicContact CG1-CB 4.17Å; V30-L47 HydrophobicContact CG1-CD2 4.1Å; V30-L47 HydrophobicContact CG1-CG 4.44Å; E31-L47 PolarHBondContact N-O 3.33Å; L47-L49 PolarHBondContact O-N 2.91Å; L47-T51 HydrophobicContact CD1-CG2 3.85Å; L47-T51 HydrophobicContact CG-CG2 4.32Å
48P90.9Very high85.8Confident66 Ų6657 Ų5743%0.42931%0.306SS..EExtended strand (participates in β ladder)trans-57.7134.6176.1-25.734.8000111.1E31 S50 T51 G52E31-P48 WeakPolarHBondContact O-CA 3.42Å; P48-S50 VanDerWaalsContact C-N 3.27Å; P48-S50 PolarHBondContact O-N 3.37Å; P48-T51 WeakPolarHBondContact O-CA 3.48Å; P48-T51 WeakPolarHBondContact O-CB 3.14Å; P48-T51 PolarHBondContact O-N 3.38Å; P48-G52 PolarHBondContact O-N 3.34Å
49L91.8Very high86.6Confident2 Ų252.2 Ų52.21%0.0129%0.29CS..Hα-helixtrans-50.4-46.3-179.8176.765.5000112.8V30 E31 N32 L47 T51 G52 L53 Y155 A159 L166 E172V30-L49 HydrophobicContact CB-CD1 4.37Å; V30-L49 HydrophobicContact CG2-CD1 3.83Å; E31-L49 PolarHBondContact O-N 3.44Å; N32-L49 HydrophobicContact CB-CB 4.1Å; N32-L49 HydrophobicContact CB-CD2 4.25Å; L47-L49 PolarHBondContact O-N 2.91Å; L49-T51 VanDerWaalsContact C-N 3.28Å; L49-T51 PolarHBondContact O-N 2.88Å; L49-G52 PolarHBondContact O-N 2.8Å; L49-G52 VanDerWaalsContact O-N 3.14Å; L49-L53 HydrophobicContact CD1-CD1 4.27Å; L49-L53 HydrophobicContact CD1-CG 4.18Å; L49-L53 HydrophobicContact CG-CD1 4.22Å; L49-L53 HydrophobicContact CG-CG 4.48Å; L49-L53 WeakPolarHBondContact O-CG 3.48Å; L49-L53 PolarHBondContact O-N 2.77Å; L49-Y155 HydrophobicContact CD1-CD2 4.4Å; L49-Y155 HydrophobicContact CD1-CE2 3.6Å; L49-A159 HydrophobicContact CD1-CB 4.35Å; L49-A159 HydrophobicContact CD2-CB 3.21Å; L49-A159 HydrophobicContact CG-CB 4.38Å; L49-L166 HydrophobicContact CD2-CD2 3.71Å; L49-L166 HydrophobicContact CG-CD2 3.98Å; L49-E172 HydrophobicContact CD2-CB 4.33Å
50S90.8Very high87.3Confident18 Ų1851.5 Ų51.513%0.12629%0.288CS..Hα-helixtrans-60.7-37177.854.60000112.3P48 N54 Q88P48-S50 VanDerWaalsContact C-N 3.27Å; P48-S50 PolarHBondContact O-N 3.37Å; S50-N54 WeakPolarHBondContact O-CB 3.48Å; S50-N54 PolarHBondContact O-N 3.33Å; S50-N54 PolarHBondContact O-ND2 3.22Å; S50-Q88 VanDerWaalsContact CB-OE1 3.25Å; S50-Q88 PolarHBondContact OG-OE1 3.02Å
51T92.3Very high88.3Confident68 Ų6857.6 Ų57.642%0.41730%0.299SS..Hα-helixtrans-68.9-40.6175.3-560000111.2L47 P48 L49 N54 S55L47-T51 HydrophobicContact CD1-CG2 3.85Å; L47-T51 HydrophobicContact CG-CG2 4.32Å; P48-T51 WeakPolarHBondContact O-CA 3.48Å; P48-T51 WeakPolarHBondContact O-CB 3.14Å; P48-T51 PolarHBondContact O-N 3.38Å; L49-T51 VanDerWaalsContact C-N 3.28Å; L49-T51 PolarHBondContact O-N 2.88Å; T51-N54 PolarHBondContact O-N 3.25Å; T51-S55 WeakPolarHBondContact O-CB 3.49Å; T51-S55 PolarHBondContact O-N 3.04Å
52G93.3Very high89.6Confident0 Ų054.5 Ų54.50%029%0.286CS..Hα-helixtrans-60.5-47.2175.600000113.3P48 L49 S55 L56P48-G52 PolarHBondContact O-N 3.34Å; L49-G52 PolarHBondContact O-N 2.8Å; L49-G52 VanDerWaalsContact O-N 3.14Å; G52-S55 WeakPolarHBondContact O-CB 3.34Å; G52-S55 PolarHBondContact O-N 3.02Å; G52-L56 PolarHBondContact O-N 3.02Å
53L94.8Very high90.9Very high0 Ų047.4 Ų47.40%025%0.248CC..Hα-helixtrans-65.9-41.1177.2-64.2178.1000111.9L49 S55 L56 L57 L92 W147 Y155 M161 L166L49-L53 HydrophobicContact CD1-CD1 4.27Å; L49-L53 HydrophobicContact CD1-CG 4.18Å; L49-L53 HydrophobicContact CG-CD1 4.22Å; L49-L53 HydrophobicContact CG-CG 4.48Å; L49-L53 WeakPolarHBondContact O-CG 3.48Å; L49-L53 PolarHBondContact O-N 2.77Å; L53-S55 VanDerWaalsContact C-N 3.32Å; L53-S55 PolarHBondContact O-N 3.06Å; L53-L56 WeakPolarHBondContact O-CB 3.46Å; L53-L56 PolarHBondContact O-N 2.85Å; L53-L57 PolarHBondContact O-N 2.99Å; L53-L92 HydrophobicContact CB-CD1 4.41Å; L53-L92 HydrophobicContact CD1-CD2 4.1Å; L53-W147 HydrophobicContact CB-CH2 4.4Å; L53-W147 HydrophobicContact CD1-CZ2 4.26Å; L53-W147 HydrophobicContact CD2-CD2 4.12Å; L53-W147 HydrophobicContact CD2-CE3 4.45Å; L53-W147 HydrophobicContact CD2-CZ2 4.21Å; L53-Y155 HydrophobicContact CD2-CD1 3.9Å; L53-Y155 HydrophobicContact CD2-CD2 4.22Å; L53-Y155 HydrophobicContact CD2-CE1 4.41Å; L53-Y155 HydrophobicContact CD2-CG 3.8Å; L53-M161 HydrophobicContact CD1-CE 4.48Å; L53-L166 HydrophobicContact CD1-CD2 3.85Å
54N94.7Very high92Very high40 Ų4046.3 Ų46.321%0.21424%0.24CC..Hα-helixtrans-63.4-38.2175.5-81.8-63.9000112.4S50 T51 L56 L57 D58 R95S50-N54 WeakPolarHBondContact O-CB 3.48Å; S50-N54 PolarHBondContact O-N 3.33Å; S50-N54 PolarHBondContact O-ND2 3.22Å; T51-N54 PolarHBondContact O-N 3.25Å; N54-L56 VanDerWaalsContact C-N 3.29Å; N54-L56 PolarHBondContact O-N 2.73Å; N54-L57 WeakPolarHBondContact O-CB 3.33Å; N54-L57 PolarHBondContact O-N 3.04Å; N54-L57 VanDerWaalsContact O-N 3.14Å; N54-D58 PolarHBondContact O-N 3.38Å; N54-R95 WeakPolarHBondContact OD1-CD 2.96Å
55S95.1Very high93.1Very high33 Ų3345 Ų4523%0.23123%0.229CC..Hα-helixtrans-62.7-33.7175.4173.50000112.6T51 G52 L53 D58 K59 Y178T51-S55 WeakPolarHBondContact O-CB 3.49Å; T51-S55 PolarHBondContact O-N 3.04Å; G52-S55 WeakPolarHBondContact O-CB 3.34Å; G52-S55 PolarHBondContact O-N 3.02Å; L53-S55 VanDerWaalsContact C-N 3.32Å; L53-S55 PolarHBondContact O-N 3.06Å; S55-D58 PolarHBondContact O-N 3.37Å; S55-K59 PolarHBondContact O-N 2.94Å; S55-Y178 WeakPolarHBondContact CB-OH 3.2Å; S55-Y178 PolarHBondContact OG-OH 2.87Å
56L95.6Very high93.9Very high0 Ų040 Ų400%021%0.207CC..Hα-helixtrans-64.4-46170.9-75.1175.1000111.5G52 L53 N54 D58 K59 A60 V149 H153 V176 Y178G52-L56 PolarHBondContact O-N 3.02Å; L53-L56 WeakPolarHBondContact O-CB 3.46Å; L53-L56 PolarHBondContact O-N 2.85Å; N54-L56 VanDerWaalsContact C-N 3.29Å; N54-L56 PolarHBondContact O-N 2.73Å; L56-D58 VanDerWaalsContact C-N 3.26Å; L56-D58 PolarHBondContact O-N 3.45Å; L56-K59 PolarHBondContact O-N 3.26Å; L56-K59 VanDerWaalsContact O-N 3.08Å; L56-A60 PolarHBondContact O-N 2.93Å; L56-A60 VanDerWaalsContact O-N 3.13Å; L56-V149 HydrophobicContact CB-CG2 4.15Å; L56-H153 HydrophobicContact CD2-CB 3.53Å; L56-V176 HydrophobicContact CD1-CG1 3.95Å; L56-V176 HydrophobicContact CD1-CG2 4.48Å; L56-V176 HydrophobicContact CD2-CG1 3.68Å; L56-V176 HydrophobicContact CG-CG1 3.71Å; L56-Y178 HydrophobicContact CD2-CD1 4.29Å; L56-Y178 HydrophobicContact CD2-CE1 3.93Å
57L95.6Very high94.4Very high3 Ų338 Ų382%0.01620%0.198CC..Hα-helixtrans-64.7-29.1176.9-65.2178.3000113.2L53 N54 K59 V64 L92 R95 L96 L99 W147L53-L57 PolarHBondContact O-N 2.99Å; N54-L57 WeakPolarHBondContact O-CB 3.33Å; N54-L57 PolarHBondContact O-N 3.04Å; N54-L57 VanDerWaalsContact O-N 3.14Å; L57-K59 VanDerWaalsContact C-N 3.27Å; L57-V64 HydrophobicContact CD2-CG1 4.29Å; L57-V64 HydrophobicContact CD2-CG2 4.26Å; L57-L92 HydrophobicContact CD1-CD1 3.75Å; L57-R95 HydrophobicContact CD1-CB 3.83Å; L57-L96 HydrophobicContact CD1-CD2 4.28Å; L57-L96 HydrophobicContact CD2-CD2 3.99Å; L57-L99 HydrophobicContact CD2-CD1 4.23Å; L57-L99 HydrophobicContact CD2-CD2 4.35Å; L57-W147 HydrophobicContact CD1-CH2 4.44Å; L57-W147 HydrophobicContact CD1-CZ3 4.28Å; L57-W147 HydrophobicContact CD2-CH2 4.5Å; L57-W147 HydrophobicContact CD2-CZ3 3.72Å; L57-W147 HydrophobicContact CG-CZ3 3.89Å
58D95.2Very high94.6Very high101 Ų10135.1 Ų35.154%0.5418%0.183SC..Hα-helixtrans-70.9-24.7174.4-70.8-31.8000112.8N54 S55 L56 R95N54-D58 PolarHBondContact O-N 3.38Å; S55-D58 PolarHBondContact O-N 3.37Å; L56-D58 VanDerWaalsContact C-N 3.26Å; L56-D58 PolarHBondContact O-N 3.45Å; D58-R95 IonicContact OD1-CZ 3.97Å; D58-R95 IonicContact OD1-NH1 2.71Å; D58-R95 PolarHBondContact OD1-NH1 3.42Å; D58-R95 IonicContact OD1-NH2 2.88Å; D58-R95 PolarHBondContact OD1-NH2 3.24Å; D58-R95 IonicContact OD2-NH1 3.65Å
59K94.8Very high94.6Very high83 Ų8333 Ų3336%0.36117%0.169SC..Hα-helixtrans-90.2-20.4177.4-74179.1177.5-74.20113.8S55 L56 L57 Y178S55-K59 PolarHBondContact O-N 2.94Å; L56-K59 PolarHBondContact O-N 3.26Å; L56-K59 VanDerWaalsContact O-N 3.08Å; L57-K59 VanDerWaalsContact C-N 3.27Å; K59-Y178 HydrophobicContact CD-CD1 3.54Å; K59-Y178 HydrophobicContact CD-CE1 3.77Å
60A95.6Very high94.5Very high10 Ų1035.3 Ų35.38%0.08318%0.183CC..  trans-58.8135.6-178.100000112.6L56 V64 I104 V149 D150L56-A60 PolarHBondContact O-N 2.93Å; L56-A60 VanDerWaalsContact O-N 3.13Å; A60-V64 HydrophobicContact CB-CG2 3.66Å; A60-I104 HydrophobicContact CB-CD1 4.05Å; A60-I104 HydrophobicContact CB-CG2 4.38Å; A60-I104 WeakPolarHBondContact O-CD1 3.46Å; A60-V149 HydrophobicContact CB-CG1 3.51Å; A60-D150 WeakPolarHBondContact CA-OD2 2.93Å
61R94.6Very high94.4Very high206 Ų20634.6 Ų34.678%0.77718%0.178SC*.SBendtrans-131.7-30.1-179.3-65.1-174.1178.4-162.6-2.3114.2D150R61-D150 PolarHBondContact N-OD1 2.73Å; R61-D150 VanDerWaalsContact N-OD1 3.1Å; R61-D150 PolarHBondContact N-OD2 3.39Å
62V93.9Very high94.2Very high93 Ų9333.7 Ų33.756%0.56417%0.17SC*.SBendtrans-124.2-58.3-171.4-1780000109.8Q105 D150V62-Q105 PolarHBondContact O-N 3.21Å; V62-D150 WeakPolarHBondContact CA-OD1 3.42Å; V62-D150 PolarHBondContact N-OD1 3.33Å
63D94.9Very high93.9Very high14 Ų1433.7 Ų33.78%0.07517%0.17CC..EExtended strand (participates in β ladder)trans-145.8147.6-171.963.7-92.6000113Q105 D150D63-Q105 CarbonylContact C-O 3.52Å; D63-Q105 WeakPolarHBondContact CA-O 3.44Å; D63-D150 PolarHBondContact N-OD1 3.49Å; D63-D150 PolarHBondContact O-N 2.9Å
64V97.4Very high93.3Very high0 Ų034.9 Ų34.90%018%0.178CC..EExtended strand (participates in β ladder)trans-129.4116.5172.3177.80000107.8L57 A60 I66 L99 I104 Q105 L106 K107 W147 V149L57-V64 HydrophobicContact CD2-CG1 4.29Å; L57-V64 HydrophobicContact CD2-CG2 4.26Å; A60-V64 HydrophobicContact CB-CG2 3.66Å; V64-I66 HydrophobicContact CG1-CD1 4Å; V64-I66 HydrophobicContact CG1-CG1 3.89Å; V64-L99 HydrophobicContact CB-CD1 4.17Å; V64-L99 HydrophobicContact CG2-CD1 4.02Å; V64-I104 HydrophobicContact CG2-CG2 3.96Å; V64-Q105 PolarHBondContact N-O 3.48Å; V64-L106 HydrophobicContact CB-CD1 4.15Å; V64-L106 HydrophobicContact CG1-CD1 4.01Å; V64-L106 WeakPolarHBondContact O-CA 3.45Å; V64-K107 PolarHBondContact O-N 3.12Å; V64-W147 HydrophobicContact CG1-CE3 4.35Å; V64-V149 HydrophobicContact CG1-CG2 4.3Å; V64-V149 HydrophobicContact CG2-CG1 4.33Å; V64-V149 HydrophobicContact CG2-CG2 4.27Å
65E97.7Very high92.3Very high1 Ų133.3 Ų33.31%0.00517%0.17CC..EExtended strand (participates in β ladder)trans-109.3122.2-179.8-61.6175.4167.800109.2K107 W147 V148 R151 H188 F191E65-K107 CarbonylContact C-O 3.54Å; E65-K107 VanDerWaalsContact CA-O 3.3Å; E65-K107 WeakPolarHBondContact CA-O 3.39Å; E65-K107 HydrophobicContact CG-CB 4.3Å; E65-K107 HydrophobicContact CG-CD 4.42Å; E65-W147 CarbonylContact O-C 3.56Å; E65-W147 VanDerWaalsContact O-CA 3.27Å; E65-W147 WeakPolarHBondContact O-CA 3.11Å; E65-V148 HydrophobicContact CB-CB 4.21Å; E65-V148 PolarHBondContact N-O 2.89Å; E65-V148 PolarHBondContact O-N 2.84Å; E65-R151 IonicContact OE1-NH2 2.71Å; E65-H188 IonicContact OE1-CE1 2.86Å; E65-H188 PolarHBondContact OE1-CE1 3.43Å; E65-H188 IonicContact OE1-ND1 3.07Å; E65-H188 PolarHBondContact OE1-ND1 2.92Å; E65-H188 IonicContact OE2-CE1 3.15Å; E65-H188 IonicContact OE2-CG 3.27Å; E65-H188 IonicContact OE2-ND1 3.8Å; E65-H188 PolarHBondContact OE2-ND1 3.42Å; E65-F191 HydrophobicContact CB-CD1 4.14Å; E65-F191 HydrophobicContact CB-CD2 3.92Å; E65-F191 HydrophobicContact CB-CE1 4.05Å; E65-F191 HydrophobicContact CB-CE2 3.82Å; E65-F191 HydrophobicContact CB-CG 4.09Å; E65-F191 HydrophobicContact CB-CZ 3.89Å; E65-F191 HydrophobicContact CG-CD1 4.08Å; E65-F191 HydrophobicContact CG-CE1 3.81Å; E65-F191 HydrophobicContact CG-CE2 4.46Å; E65-F191 HydrophobicContact CG-CZ 4.03Å; E65-F191 WeakPolarHBondContact OE2-CD1 3.47Å
66I97Very high90.7Very high0 Ų038.5 Ų38.50%019%0.189CC..EExtended strand (participates in β ladder)trans-123.7128.7-175.6-56.8178.1000110.2V64 W71 L96 L106 K107 I108 S109 W147 M161V64-I66 HydrophobicContact CG1-CD1 4Å; V64-I66 HydrophobicContact CG1-CG1 3.89Å; I66-W71 HydrophobicContact CB-CH2 4.25Å; I66-W71 HydrophobicContact CB-CZ2 4.06Å; I66-W71 HydrophobicContact CD1-CH2 4.06Å; I66-W71 HydrophobicContact CG2-CH2 3.86Å; I66-W71 HydrophobicContact CG2-CZ2 3.53Å; I66-L96 HydrophobicContact CD1-CD1 4.46Å; I66-L96 HydrophobicContact CD1-CD2 3.81Å; I66-L106 HydrophobicContact CD1-CD1 3.91Å; I66-L106 HydrophobicContact CG1-CD1 4.36Å; I66-K107 PolarHBondContact N-O 3.29Å; I66-I108 HydrophobicContact CB-CG1 4.46Å; I66-I108 CarbonylContact O-C 3.47Å; I66-I108 WeakPolarHBondContact O-CA 3.2Å; I66-S109 PolarHBondContact O-N 3.31Å; I66-W147 HydrophobicContact CD1-CD2 3.95Å; I66-W147 HydrophobicContact CD1-CE3 4.09Å; I66-W147 HydrophobicContact CD1-CH2 3.91Å; I66-W147 HydrophobicContact CD1-CZ2 3.79Å; I66-W147 HydrophobicContact CD1-CZ3 4.07Å; I66-W147 HydrophobicContact CG1-CD2 3.85Å; I66-W147 HydrophobicContact CG1-CE3 4.23Å; I66-W147 HydrophobicContact CG1-CG 4.06Å; I66-W147 HydrophobicContact CG2-CG 4.41Å; I66-M161 HydrophobicContact CG2-CG 4.12Å; I66-M161 HydrophobicContact CG2-SD 4.35Å
67V96.4Very high89Confident0 Ų044.2 Ų44.20%022%0.22CC..EExtended strand (participates in β ladder)trans-111.4126.1166.7-170.10000108.9S109 L142 S145 F146 F191 Y194V67-S109 WeakPolarHBondContact CA-O 3.42Å; V67-L142 HydrophobicContact CG1-CD1 4.2Å; V67-L142 HydrophobicContact CG1-CD2 3.9Å; V67-L142 HydrophobicContact CG1-CG 4.31Å; V67-S145 WeakPolarHBondContact O-CA 3.47Å; V67-F146 HydrophobicContact CB-CD1 4.08Å; V67-F146 HydrophobicContact CB-CD2 4.44Å; V67-F146 HydrophobicContact CB-CE1 3.89Å; V67-F146 HydrophobicContact CB-CE2 4.26Å; V67-F146 HydrophobicContact CB-CG 4.36Å; V67-F146 HydrophobicContact CB-CZ 4Å; V67-F146 HydrophobicContact CG1-CE1 4.26Å; V67-F146 HydrophobicContact CG2-CD1 4.28Å; V67-F146 HydrophobicContact CG2-CD2 4.12Å; V67-F146 HydrophobicContact CG2-CE1 3.72Å; V67-F146 HydrophobicContact CG2-CE2 3.52Å; V67-F146 HydrophobicContact CG2-CG 4.47Å; V67-F146 HydrophobicContact CG2-CZ 3.3Å; V67-F146 PolarHBondContact N-O 2.79Å; V67-F146 PolarHBondContact O-N 2.94Å; V67-F146 VanDerWaalsContact O-N 3.12Å; V67-F191 HydrophobicContact CG2-CD2 3.56Å; V67-F191 HydrophobicContact CG2-CE2 4.28Å; V67-Y194 HydrophobicContact CG1-CD2 3.88Å; V67-Y194 HydrophobicContact CG1-CE2 3.99Å; V67-Y194 HydrophobicContact CG2-CD2 4.11Å
68S94.3Very high86.8Confident0 Ų052.7 Ų52.70%025%0.253CS..EExtended strand (participates in β ladder)trans-150142.1176-179.30000111.3V70 S109 M161S68-V70 VanDerWaalsContact C-N 3.35Å; S68-V70 PolarHBondContact OG-O 2.03Å; S68-S109 PolarHBondContact N-O 2.94Å; S68-M161 PolarHBondContact OG-N 3.39Å
69P90.6Very high84.8Confident21 Ų2155.4 Ų55.414%0.13626%0.262CS..SBendtrans-74.8-25.3178.332.6-38.4000113.4L142 S144 S160P69-L142 WeakPolarHBondContact CB-O 3.25Å; P69-S144 WeakPolarHBondContact CD-O 3.26Å; P69-S160 WeakPolarHBondContact CD-OG 3.43Å; P69-S160 WeakPolarHBondContact CG-OG 3.32Å
70V89.4Confident82.9Confident51 Ų5152 Ų5231%0.30925%0.249SC..  trans-136.1142.8-175.1176.50000108.7S68 L72 M161S68-V70 VanDerWaalsContact C-N 3.35Å; S68-V70 PolarHBondContact OG-O 2.03Å; V70-L72 HydrophobicContact CG1-CB 4.38Å; V70-M161 WeakPolarHBondContact O-CB 3.43Å
71W89.9Confident80.9Confident3 Ų354.4 Ų54.41%0.01126%0.26CS..EExtended strand (participates in β ladder)trans-129.496.7174.4-78.985.7000111.2I66 L73 L96 I108 T110 D112 S115 L118 L121 M161I66-W71 HydrophobicContact CB-CH2 4.25Å; I66-W71 HydrophobicContact CB-CZ2 4.06Å; I66-W71 HydrophobicContact CD1-CH2 4.06Å; I66-W71 HydrophobicContact CG2-CH2 3.86Å; I66-W71 HydrophobicContact CG2-CZ2 3.53Å; W71-L73 HydrophobicContact CZ3-CD1 4.38Å; W71-L96 HydrophobicContact CZ3-CD1 4.2Å; W71-I108 HydrophobicContact CH2-CD1 3.54Å; W71-I108 HydrophobicContact CH2-CG1 3.86Å; W71-I108 HydrophobicContact CH2-CG2 4.2Å; W71-I108 HydrophobicContact CZ2-CB 4.19Å; W71-I108 HydrophobicContact CZ2-CD1 3.86Å; W71-I108 HydrophobicContact CZ2-CG1 3.82Å; W71-I108 HydrophobicContact CZ2-CG2 3.34Å; W71-I108 HydrophobicContact CZ3-CD1 4.08Å; W71-T110 VanDerWaalsContact CD1-OG1 3.27Å; W71-D112 PolarHBondContact N-OD2 3.49Å; W71-S115 PolarHBondContact O-OG 2.95Å; W71-L118 HydrophobicContact CB-CD1 3.94Å; W71-L118 HydrophobicContact CB-CD2 4.22Å; W71-L118 HydrophobicContact CB-CG 3.86Å; W71-L118 HydrophobicContact CD2-CD2 3.53Å; W71-L118 HydrophobicContact CD2-CG 4.19Å; W71-L118 HydrophobicContact CE3-CD2 3.82Å; W71-L118 HydrophobicContact CG-CD1 3.84Å; W71-L118 HydrophobicContact CG-CD2 3.72Å; W71-L118 HydrophobicContact CG-CG 3.85Å; W71-L118 HydrophobicContact CZ2-CD2 4.43Å; W71-L118 HydrophobicContact CZ3-CD2 4.37Å; W71-L121 HydrophobicContact CZ3-CD1 4.31Å; W71-M161 WeakPolarHBondContact CA-O 3.41Å; W71-M161 HydrophobicContact CD2-CB 3.8Å; W71-M161 HydrophobicContact CD2-CG 4.04Å; W71-M161 HydrophobicContact CE3-CB 3.82Å; W71-M161 HydrophobicContact CE3-CG 4.07Å; W71-M161 HydrophobicContact CG-CB 4.28Å; W71-M161 HydrophobicContact CH2-CB 4.49Å; W71-M161 HydrophobicContact CH2-CG 3.83Å; W71-M161 HydrophobicContact CH2-SD 4.5Å; W71-M161 HydrophobicContact CZ2-CB 4.46Å; W71-M161 HydrophobicContact CZ2-CG 3.78Å; W71-M161 HydrophobicContact CZ3-CB 4.18Å; W71-M161 HydrophobicContact CZ3-CG 3.97Å
72L87.6Confident79Confident48 Ų4851.9 Ų51.925%0.25126%0.255SS..EExtended strand (participates in β ladder)trans-14975.3178.4-172.765.3000109.6V70 E117 M161 D162 W163V70-L72 HydrophobicContact CG1-CB 4.38Å; L72-E117 WeakPolarHBondContact CA-OE2 3.41Å; L72-M161 CarbonylContact C-O 3.53Å; L72-M161 PolarHBondContact N-O 2.72Å; L72-D162 CarbonylContact O-C 3.54Å; L72-D162 WeakPolarHBondContact O-CA 3.33Å; L72-W163 VanDerWaalsContact O-CD1 3.24Å; L72-W163 PolarHBondContact O-N 3.23Å
73L86.6Confident77.5Confident0 Ų051.9 Ų51.90%025%0.246CC..SBendtrans-89-28.2-179.4-71.6176.1000112.8W71 G89 R90 L92 L93 L96 E117 M161 L166W71-L73 HydrophobicContact CZ3-CD1 4.38Å; L73-G89 CarbonylContact O-C 3.19Å; L73-G89 VanDerWaalsContact O-CA 3.28Å; L73-G89 WeakPolarHBondContact O-CA 3.33Å; L73-R90 PolarHBondContact O-N 3.31Å; L73-L92 HydrophobicContact CD1-CD2 4.48Å; L73-L92 HydrophobicContact CD2-CD2 4.22Å; L73-L93 HydrophobicContact CB-CB 4.04Å; L73-L93 HydrophobicContact CD1-CB 4.1Å; L73-L93 HydrophobicContact CD1-CD1 4.37Å; L73-L96 HydrophobicContact CD1-CD1 4.05Å; L73-E117 PolarHBondContact N-OE2 3.49Å; L73-M161 HydrophobicContact CD2-CB 4.37Å; L73-M161 HydrophobicContact CG-CB 4.39Å; L73-L166 HydrophobicContact CD2-CD1 3.92Å
74S82.9Confident75.8Confident25 Ų2555.8 Ų55.818%0.17527%0.274CS..SBendtrans-117.7110.8172.2-170.50000109.2R90 E117S74-R90 WeakPolarHBondContact OG-CG 3.28Å; S74-E117 VanDerWaalsContact CA-OE1 3.23Å; S74-E117 WeakPolarHBondContact CA-OE1 3.29Å; S74-E117 WeakPolarHBondContact CB-OE1 3.48Å; S74-E117 PolarHBondContact N-OE1 3.13Å
75P72.6Confident74Confident7 Ų756 Ų565%0.04528%0.275CS..  trans-73.7143.5176.334.8-36.5000110.4S80 A86 W163P75-S80 WeakPolarHBondContact CB-OG 3.4Å; P75-S80 WeakPolarHBondContact CG-OG 3.33Å; P75-A86 HydrophobicContact CG-CB 3.8Å; P75-W163 HydrophobicContact CG-CG 4.46Å
76F61.4Low72.8Confident143 Ų14355.9 Ų55.963%0.62728%0.275SS*.  trans-87.1-17.1-177-69.4-82.9000113.3A116 E117F76-A116 HydrophobicContact CE2-CB 4.38Å; F76-A116 HydrophobicContact CZ-CB 3.94Å; F76-E117 HydrophobicContact CE2-CG 4.28Å; F76-E117 HydrophobicContact CZ-CG 4.2Å
77D60.2Low72.1Confident119 Ų11959.6 Ų59.664%0.63630%0.297SS*.SBendtrans-79.6141.8-173.1-60.2-40.3000112.9E79 S80 N81D77-E79 VanDerWaalsContact C-N 3.26Å; D77-E79 PolarHBondContact O-N 2.88Å; D77-S80 PolarHBondContact O-N 3.2Å; D77-S80 VanDerWaalsContact O-N 3.11Å; D77-S80 PolarHBondContact O-OG 2.85Å; D77-N81 PolarHBondContact O-N 3.13Å
78Y49Very low71.5Confident181 Ų18163.4 Ų63.471%0.7132%0.315SS*.THydrogen-bonded Turntrans-59.8-33.6-176.5-164.9-97.2000113.1F82Y78-F82 HydrophobicContact CD1-CE2 4.05Å; Y78-F82 AromaticContact CE1-CE2 3.71Å; Y78-F82 HydrophobicContact CE1-CE2 3.71Å; Y78-F82 HydrophobicContact CE1-CZ 4.3Å; Y78-F82 VanDerWaalsContact O-CD2 3.29Å; Y78-F82 WeakPolarHBondContact O-CD2 3.12Å
79E53.8Low71.2Confident159 Ų15963.4 Ų63.474%0.74332%0.315SS*.THydrogen-bonded Turntrans-73.7-32.6178-66.5-16516000113D77 Y83D77-E79 VanDerWaalsContact C-N 3.26Å; D77-E79 PolarHBondContact O-N 2.88Å; E79-Y83 WeakPolarHBondContact O-CE2 3.08Å
80S55.7Low71.1Confident11 Ų1167 Ų678%0.07733%0.326CS..G310 helixtrans-80-21-177.9560000113P75 D77 F82 Y83 A86P75-S80 WeakPolarHBondContact CB-OG 3.4Å; P75-S80 WeakPolarHBondContact CG-OG 3.33Å; D77-S80 PolarHBondContact O-N 3.2Å; D77-S80 VanDerWaalsContact O-N 3.11Å; D77-S80 PolarHBondContact O-OG 2.85Å; S80-F82 PolarHBondContact O-N 2.88Å; S80-Y83 PolarHBondContact O-N 2.87Å; S80-A86 WeakPolarHBondContact O-CB 3.22Å
81N52.7Low71.1Confident61 Ų6166.9 Ų66.933%0.32633%0.331SS..G310 helixtrans-61.7-25.6174.4-95.1-34.1000114.5D77D77-N81 PolarHBondContact O-N 3.13Å
82F54.8Low71.2Confident152 Ų15266.9 Ų66.967%0.66733%0.331SS*.G310 helixtrans-89-10.5-178.5-71.8-79.8000114.1Y78 S80 S84Y78-F82 HydrophobicContact CD1-CE2 4.05Å; Y78-F82 AromaticContact CE1-CE2 3.71Å; Y78-F82 HydrophobicContact CE1-CE2 3.71Å; Y78-F82 HydrophobicContact CE1-CZ 4.3Å; Y78-F82 VanDerWaalsContact O-CD2 3.29Å; Y78-F82 WeakPolarHBondContact O-CD2 3.12Å; S80-F82 PolarHBondContact O-N 2.88Å; F82-S84 PolarHBondContact O-N 3.49Å
83Y61.9Low71.4Confident94 Ų9465.2 Ų65.237%0.36932%0.322SS..  trans-71.4124.7173.7-62.4-72.9000109.3E79 S80 A85 A86 W163 L350E79-Y83 WeakPolarHBondContact O-CE2 3.08Å; S80-Y83 PolarHBondContact O-N 2.87Å; Y83-A85 PolarHBondContact O-N 2.97Å; Y83-A86 PolarHBondContact O-N 2.82Å; Y83-W163 HydrophobicContact CD2-CH2 4.32Å; Y83-L350 HydrophobicContact CE2-CD1 4.3Å
84S59.9Low71.7Confident96 Ų9668.7 Ų68.767%0.67135%0.347SS*.Hα-helixtrans-51.5-26166.757.10000111.8F82 V87F82-S84 PolarHBondContact O-N 3.49Å; S84-V87 VanDerWaalsContact O-CB 3.25Å; S84-V87 WeakPolarHBondContact O-CB 3.3Å; S84-V87 PolarHBondContact O-N 3.01Å
85A59.4Low72.2Confident3 Ų371.2 Ų71.23%0.02535%0.352CS..Hα-helixtrans-49.3-55167.300000113.5Y83 V87 Q88 W163 T167Y83-A85 PolarHBondContact O-N 2.97Å; A85-V87 PolarHBondContact O-N 3.19Å; A85-Q88 PolarHBondContact O-N 2.98Å; A85-W163 HydrophobicContact CB-CE3 3.98Å; A85-W163 HydrophobicContact CB-CZ3 3.87Å; A85-T167 HydrophobicContact CB-CG2 3.45Å; A85-T167 VanDerWaalsContact CB-CG2 3.45Å; A85-T167 WeakPolarHBondContact O-CG2 3.24Å
86A72.8Confident73.2Confident0 Ų071 Ų710%035%0.351CS..Hα-helixtrans-64-14.8-177.600000113P75 S80 Y83 R90P75-A86 HydrophobicContact CG-CB 3.8Å; S80-A86 WeakPolarHBondContact O-CB 3.22Å; Y83-A86 PolarHBondContact O-N 2.82Å; A86-R90 WeakPolarHBondContact O-CB 3.35Å; A86-R90 VanDerWaalsContact O-CG 3.29Å; A86-R90 WeakPolarHBondContact O-CG 3.36Å; A86-R90 PolarHBondContact O-N 3.35Å; A86-R90 PolarHBondContact O-NE 2.98Å
87V81.6Confident74.7Confident77 Ų7766.5 Ų66.547%0.46733%0.332SS..Hα-helixtrans-67.6-39.2173.8-176.90000111.2S84 A85 A91S84-V87 VanDerWaalsContact O-CB 3.25Å; S84-V87 WeakPolarHBondContact O-CB 3.3Å; S84-V87 PolarHBondContact O-N 3.01Å; A85-V87 PolarHBondContact O-N 3.19Å; V87-A91 WeakPolarHBondContact O-CB 3.48Å; V87-A91 PolarHBondContact O-N 2.88Å
88Q84.8Confident76.3Confident80 Ų8061.9 Ų61.937%0.37431%0.312SS..Hα-helixtrans-68.1-42.6179.7-62.9-166.325.200111.7S50 A85 A91 L92 L166 T167S50-Q88 VanDerWaalsContact CB-OE1 3.25Å; S50-Q88 PolarHBondContact OG-OE1 3.02Å; A85-Q88 PolarHBondContact O-N 2.98Å; Q88-A91 PolarHBondContact O-N 3.04Å; Q88-L92 PolarHBondContact O-N 3.19Å; Q88-L166 PolarHBondContact OE1-O 2.77Å; Q88-L166 VanDerWaalsContact OE1-O 3.12Å; Q88-T167 HydrophobicContact CB-CG2 4.43Å
89G87.6Confident78.4Confident0 Ų053.3 Ų53.30%028%0.278CS..Hα-helixtrans-61.4-49.2174.800000112.1L73 A91 L92 L93L73-G89 CarbonylContact O-C 3.19Å; L73-G89 VanDerWaalsContact O-CA 3.28Å; L73-G89 WeakPolarHBondContact O-CA 3.33Å; G89-A91 VanDerWaalsContact C-N 3.35Å; G89-A91 PolarHBondContact O-N 3.48Å; G89-L92 PolarHBondContact O-N 3.01Å; G89-L93 PolarHBondContact O-N 2.81Å
90R87.7Confident80.2Confident96 Ų9650.4 Ų50.436%0.36226%0.263SS..Hα-helixtrans-61.6-39.2175.5-75.1-175.7-65.7174.8-5.9113.3L73 S74 A86 L93 S94L73-R90 PolarHBondContact O-N 3.31Å; S74-R90 WeakPolarHBondContact OG-CG 3.28Å; A86-R90 WeakPolarHBondContact O-CB 3.35Å; A86-R90 VanDerWaalsContact O-CG 3.29Å; A86-R90 WeakPolarHBondContact O-CG 3.36Å; A86-R90 PolarHBondContact O-N 3.35Å; A86-R90 PolarHBondContact O-NE 2.98Å; R90-L93 PolarHBondContact O-N 2.9Å; R90-S94 WeakPolarHBondContact O-CB 3.49Å; R90-S94 PolarHBondContact O-N 2.83Å
91A89.7Confident81.9Confident50 Ų5056.9 Ų56.941%0.41330%0.297SS..Hα-helixtrans-62.6-44.7175.700000110.8V87 Q88 G89 S94 R95V87-A91 WeakPolarHBondContact O-CB 3.48Å; V87-A91 PolarHBondContact O-N 2.88Å; Q88-A91 PolarHBondContact O-N 3.04Å; G89-A91 VanDerWaalsContact C-N 3.35Å; G89-A91 PolarHBondContact O-N 3.48Å; A91-S94 PolarHBondContact O-N 2.89Å; A91-R95 WeakPolarHBondContact O-CG 3.36Å; A91-R95 PolarHBondContact O-N 3.44Å
92L91.6Very high83.7Confident2 Ų259.6 Ų59.61%0.0131%0.306CS..Hα-helixtrans-61.9-45.7175.6-17363.9000111.5L53 L57 L73 Q88 G89 S94 R95 L96 W147 L166L53-L92 HydrophobicContact CB-CD1 4.41Å; L53-L92 HydrophobicContact CD1-CD2 4.1Å; L57-L92 HydrophobicContact CD1-CD1 3.75Å; L73-L92 HydrophobicContact CD1-CD2 4.48Å; L73-L92 HydrophobicContact CD2-CD2 4.22Å; Q88-L92 PolarHBondContact O-N 3.19Å; G89-L92 PolarHBondContact O-N 3.01Å; L92-S94 VanDerWaalsContact C-N 3.34Å; L92-S94 PolarHBondContact O-N 2.05Å; L92-R95 WeakPolarHBondContact O-CB 3.35Å; L92-R95 PolarHBondContact O-N 3.06Å; L92-R95 VanDerWaalsContact O-N 3.12Å; L92-L96 WeakPolarHBondContact O-CG 3.31Å; L92-L96 PolarHBondContact O-N 3.03Å; L92-W147 HydrophobicContact CD1-CH2 4.06Å; L92-W147 HydrophobicContact CD2-CH2 4.31Å; L92-W147 HydrophobicContact CD2-CZ2 4.3Å; L92-W147 HydrophobicContact CG-CH2 4.47Å; L92-L166 HydrophobicContact CD2-CD1 3.76Å
93L91.8Very high85.5Confident14 Ų1455.5 Ų55.57%0.07331%0.307CS..Hα-helixtrans-58.2-45.3175.8-179.962000111.7L73 G89 R90 R95 L96 Q97 L121L73-L93 HydrophobicContact CB-CB 4.04Å; L73-L93 HydrophobicContact CD1-CB 4.1Å; L73-L93 HydrophobicContact CD1-CD1 4.37Å; G89-L93 PolarHBondContact O-N 2.81Å; R90-L93 PolarHBondContact O-N 2.9Å; L93-R95 VanDerWaalsContact C-N 3.27Å; L93-R95 PolarHBondContact O-N 3.25Å; L93-L96 WeakPolarHBondContact O-CB 3.07Å; L93-L96 PolarHBondContact O-N 2.99Å; L93-L96 VanDerWaalsContact O-N 3.15Å; L93-Q97 VanDerWaalsContact O-CG 3.3Å; L93-Q97 WeakPolarHBondContact O-CG 3.44Å; L93-Q97 PolarHBondContact O-N 2.93Å; L93-L121 HydrophobicContact CD1-CD1 4.08Å; L93-L121 HydrophobicContact CD1-CD2 4.21Å; L93-L121 HydrophobicContact CD1-CG 4.33Å
94S92.6Very high87.1Confident73 Ų7351.6 Ų51.651%0.5129%0.292SS..Hα-helixtrans-61.1-36.1176.5178.70000112.2R90 A91 L92 Q97 G98R90-S94 WeakPolarHBondContact O-CB 3.49Å; R90-S94 PolarHBondContact O-N 2.83Å; A91-S94 PolarHBondContact O-N 2.89Å; L92-S94 VanDerWaalsContact C-N 3.34Å; L92-S94 PolarHBondContact O-N 2.05Å; S94-Q97 PolarHBondContact O-N 2.82Å; S94-G98 PolarHBondContact O-N 2.93Å
95R94Very high88.8Confident77 Ų7750.6 Ų50.629%0.29128%0.277SS..Hα-helixtrans-68.6-39174.3-64.7-146.575.8-171.62.1112.9N54 L57 D58 A91 L92 L93 G98 L99N54-R95 WeakPolarHBondContact OD1-CD 2.96Å; L57-R95 HydrophobicContact CD1-CB 3.83Å; D58-R95 IonicContact OD1-CZ 3.97Å; D58-R95 IonicContact OD1-NH1 2.71Å; D58-R95 PolarHBondContact OD1-NH1 3.42Å; D58-R95 IonicContact OD1-NH2 2.88Å; D58-R95 PolarHBondContact OD1-NH2 3.24Å; D58-R95 IonicContact OD2-NH1 3.65Å; A91-R95 WeakPolarHBondContact O-CG 3.36Å; A91-R95 PolarHBondContact O-N 3.44Å; L92-R95 WeakPolarHBondContact O-CB 3.35Å; L92-R95 PolarHBondContact O-N 3.06Å; L92-R95 VanDerWaalsContact O-N 3.12Å; L93-R95 VanDerWaalsContact C-N 3.27Å; L93-R95 PolarHBondContact O-N 3.25Å; R95-G98 PolarHBondContact O-N 3.28Å; R95-L99 PolarHBondContact O-N 3.29Å
96L93.9Very high90.6Very high2 Ų250.7 Ų50.71%0.0128%0.277CS..Hα-helixtrans-63.3-43.5174.6-67.7171.7000111L57 I66 W71 L73 L92 L93 G98 L99 L106 W147L57-L96 HydrophobicContact CD1-CD2 4.28Å; L57-L96 HydrophobicContact CD2-CD2 3.99Å; I66-L96 HydrophobicContact CD1-CD1 4.46Å; I66-L96 HydrophobicContact CD1-CD2 3.81Å; W71-L96 HydrophobicContact CZ3-CD1 4.2Å; L73-L96 HydrophobicContact CD1-CD1 4.05Å; L92-L96 WeakPolarHBondContact O-CG 3.31Å; L92-L96 PolarHBondContact O-N 3.03Å; L93-L96 WeakPolarHBondContact O-CB 3.07Å; L93-L96 PolarHBondContact O-N 2.99Å; L93-L96 VanDerWaalsContact O-N 3.15Å; L96-G98 VanDerWaalsContact C-N 3.27Å; L96-G98 PolarHBondContact O-N 3.31Å; L96-L99 HydrophobicContact CD2-CD1 4.06Å; L96-L99 VanDerWaalsContact O-CB 3.31Å; L96-L99 WeakPolarHBondContact O-CB 3.38Å; L96-L99 WeakPolarHBondContact O-CG 3.25Å; L96-L99 PolarHBondContact O-N 2.98Å; L96-L99 VanDerWaalsContact O-N 3.14Å; L96-L106 HydrophobicContact CB-CD2 4.21Å; L96-L106 HydrophobicContact CD2-CD1 4.23Å; L96-L106 HydrophobicContact CD2-CD2 4.48Å; L96-W147 HydrophobicContact CD2-CH2 4.14Å; L96-W147 HydrophobicContact CD2-CZ3 4.43Å
97Q93.2Very high91.7Very high50 Ų5051.9 Ų51.923%0.23428%0.282CS..Hα-helixtrans-59.9-36.2174.9-73.3173.1-18.600112.9L93 S94 L99 L121 H125L93-Q97 VanDerWaalsContact O-CG 3.3Å; L93-Q97 WeakPolarHBondContact O-CG 3.44Å; L93-Q97 PolarHBondContact O-N 2.93Å; S94-Q97 PolarHBondContact O-N 2.82Å; Q97-L99 VanDerWaalsContact C-N 3.28Å; Q97-L99 PolarHBondContact O-N 3.37Å; Q97-L121 HydrophobicContact CG-CD2 3.66Å; Q97-H125 PolarHBondContact O-ND1 2.96Å; Q97-H125 VanDerWaalsContact O-ND1 3.15Å
98G93.1Very high92.4Very high21 Ų2148.2 Ų48.222%0.21626%0.26CS..THydrogen-bonded Turntrans-78.1-1.4177.700000115.2S94 R95 L96 K100 D101S94-G98 PolarHBondContact O-N 2.93Å; R95-G98 PolarHBondContact O-N 3.28Å; L96-G98 VanDerWaalsContact C-N 3.27Å; L96-G98 PolarHBondContact O-N 3.31Å; G98-K100 VanDerWaalsContact C-N 3.29Å; G98-D101 PolarHBondContact O-N 3.37Å
99L93.7Very high92.8Very high1 Ų144.4 Ų44.41%0.00524%0.242CC..THydrogen-bonded Turntrans-65.9-35175-69.9178000111.9L57 V64 R95 L96 Q97 D101 K102 G103 I104 L106L57-L99 HydrophobicContact CD2-CD1 4.23Å; L57-L99 HydrophobicContact CD2-CD2 4.35Å; V64-L99 HydrophobicContact CB-CD1 4.17Å; V64-L99 HydrophobicContact CG2-CD1 4.02Å; R95-L99 PolarHBondContact O-N 3.29Å; L96-L99 HydrophobicContact CD2-CD1 4.06Å; L96-L99 VanDerWaalsContact O-CB 3.31Å; L96-L99 WeakPolarHBondContact O-CB 3.38Å; L96-L99 WeakPolarHBondContact O-CG 3.25Å; L96-L99 PolarHBondContact O-N 2.98Å; L96-L99 VanDerWaalsContact O-N 3.14Å; Q97-L99 VanDerWaalsContact C-N 3.28Å; Q97-L99 PolarHBondContact O-N 3.37Å; L99-D101 VanDerWaalsContact C-N 3.32Å; L99-D101 PolarHBondContact O-N 2.96Å; L99-K102 CarbonylContact O-C 3.18Å; L99-K102 WeakPolarHBondContact O-CA 3.4Å; L99-K102 WeakPolarHBondContact O-CB 3.36Å; L99-K102 PolarHBondContact O-N 3.41Å; L99-G103 PolarHBondContact O-N 3.46Å; L99-I104 HydrophobicContact CB-CB 4.19Å; L99-I104 HydrophobicContact CD2-CB 4.21Å; L99-I104 HydrophobicContact CD2-CD1 3.89Å; L99-I104 HydrophobicContact CD2-CG2 4.16Å; L99-I104 PolarHBondContact O-N 2.84Å; L99-L106 HydrophobicContact CD1-CB 4.26Å; L99-L106 HydrophobicContact CD1-CD1 4.17Å; L99-L106 HydrophobicContact CD1-CD2 4.5Å
100K91.3Very high93Very high99 Ų9944.4 Ų44.443%0.4324%0.242SC..G310 helixtrans-55.7-45.9175-178-179.6-177.1177.70112.3G98 K102 G103 N124 D126G98-K100 VanDerWaalsContact C-N 3.29Å; K100-K102 PolarHBondContact O-N 3.2Å; K100-K102 VanDerWaalsContact O-N 3.17Å; K100-G103 PolarHBondContact O-N 3.31Å; K100-N124 PolarHBondContact NZ-O 3.27Å; K100-D126 HydrophobicContact CD-CB 4.13Å; K100-D126 HydrophobicContact CG-CB 4.33Å
101D91.8Very high92.9Very high147 Ų14741 Ų4179%0.78624%0.236SC*.G310 helixtrans-65.3-20.9-179.6-61.8-29.5000112.3G98 L99G98-D101 PolarHBondContact O-N 3.37Å; L99-D101 VanDerWaalsContact C-N 3.32Å; L99-D101 PolarHBondContact O-N 2.96Å
102K91.6Very high92.4Very high118 Ų11840.5 Ų40.551%0.51323%0.227SC..G310 helixtrans-91.6-3.5174.5-62.7-179.7175.5-173.30113.4L99 K100 I104L99-K102 CarbonylContact O-C 3.18Å; L99-K102 WeakPolarHBondContact O-CA 3.4Å; L99-K102 WeakPolarHBondContact O-CB 3.36Å; L99-K102 PolarHBondContact O-N 3.41Å; K100-K102 PolarHBondContact O-N 3.2Å; K100-K102 VanDerWaalsContact O-N 3.17Å; K102-I104 VanDerWaalsContact C-N 3.29Å; K102-I104 HydrophobicContact CB-CD1 3.79Å; K102-I104 HydrophobicContact CB-CG1 3.96Å; K102-I104 HydrophobicContact CD-CD1 3.94Å; K102-I104 PolarHBondContact O-N 3.49Å
103G92.4Very high91.5Very high66 Ų6643.6 Ų43.668%0.6824%0.24SC*.THydrogen-bonded Turntrans68.924.1-174.600000114L99 K100L99-G103 PolarHBondContact O-N 3.46Å; K100-G103 PolarHBondContact O-N 3.31Å
104I95.7Very high90.8Very high12 Ų1249.6 Ų49.66%0.06227%0.272CS..PPolyproline II helixtrans-95.1127.9178.9-60.8168.6000108.6A60 V64 L99 K102A60-I104 HydrophobicContact CB-CD1 4.05Å; A60-I104 HydrophobicContact CB-CG2 4.38Å; A60-I104 WeakPolarHBondContact O-CD1 3.46Å; V64-I104 HydrophobicContact CG2-CG2 3.96Å; L99-I104 HydrophobicContact CB-CB 4.19Å; L99-I104 HydrophobicContact CD2-CB 4.21Å; L99-I104 HydrophobicContact CD2-CD1 3.89Å; L99-I104 HydrophobicContact CD2-CG2 4.16Å; L99-I104 PolarHBondContact O-N 2.84Å; K102-I104 VanDerWaalsContact C-N 3.29Å; K102-I104 HydrophobicContact CB-CD1 3.79Å; K102-I104 HydrophobicContact CB-CG1 3.96Å; K102-I104 HydrophobicContact CD-CD1 3.94Å; K102-I104 PolarHBondContact O-N 3.49Å
105Q95.5Very high90.3Very high75 Ų7546.7 Ų46.735%0.3525%0.252SS..EExtended strand (participates in β ladder)trans-78124.9-179.6-167.2177.729.800110.7V62 D63 V64 K107 E128V62-Q105 PolarHBondContact O-N 3.21Å; D63-Q105 CarbonylContact C-O 3.52Å; D63-Q105 WeakPolarHBondContact CA-O 3.44Å; V64-Q105 PolarHBondContact N-O 3.48Å; Q105-K107 HydrophobicContact CG-CG 4.22Å; Q105-E128 PolarHBondContact NE2-OE1 3.26Å
106L96.4Very high89.9Confident5 Ų545.2 Ų45.23%0.02626%0.256CS..EExtended strand (participates in β ladder)trans-101.5118.9175.2177.361000109.6V64 I66 L96 L99 I108 A127 E128V64-L106 HydrophobicContact CB-CD1 4.15Å; V64-L106 HydrophobicContact CG1-CD1 4.01Å; V64-L106 WeakPolarHBondContact O-CA 3.45Å; I66-L106 HydrophobicContact CD1-CD1 3.91Å; I66-L106 HydrophobicContact CG1-CD1 4.36Å; L96-L106 HydrophobicContact CB-CD2 4.21Å; L96-L106 HydrophobicContact CD2-CD1 4.23Å; L96-L106 HydrophobicContact CD2-CD2 4.48Å; L99-L106 HydrophobicContact CD1-CB 4.26Å; L99-L106 HydrophobicContact CD1-CD1 4.17Å; L99-L106 HydrophobicContact CD1-CD2 4.5Å; L106-I108 HydrophobicContact CD1-CD1 4.45Å; L106-I108 HydrophobicContact CD1-CG1 4.21Å; L106-I108 HydrophobicContact CD2-CD1 4.05Å; L106-I108 HydrophobicContact CG-CD1 4.1Å; L106-I108 HydrophobicContact CG-CG1 4.16Å; L106-A127 HydrophobicContact CB-CB 4.12Å; L106-A127 HydrophobicContact CD2-CB 3.84Å; L106-A127 HydrophobicContact CG-CB 4.02Å; L106-A127 CarbonylContact O-C 3.54Å; L106-A127 WeakPolarHBondContact O-CA 3.26Å; L106-E128 PolarHBondContact O-N 3.06Å
107K96.2Very high89.5Confident25 Ų2545.5 Ų45.511%0.10926%0.258CS..EExtended strand (participates in β ladder)trans-117.6129.3177.1-58.6-177.1-177.1167.60110.2V64 E65 I66 Q105 E128 F191 W195V64-K107 PolarHBondContact O-N 3.12Å; E65-K107 CarbonylContact C-O 3.54Å; E65-K107 VanDerWaalsContact CA-O 3.3Å; E65-K107 WeakPolarHBondContact CA-O 3.39Å; E65-K107 HydrophobicContact CG-CB 4.3Å; E65-K107 HydrophobicContact CG-CD 4.42Å; I66-K107 PolarHBondContact N-O 3.29Å; Q105-K107 HydrophobicContact CG-CG 4.22Å; K107-E128 CarbonylContact C-O 3.59Å; K107-E128 WeakPolarHBondContact CA-O 3.42Å; K107-E128 HydrophobicContact CG-CB 4.44Å; K107-F191 HydrophobicContact CB-CE1 4.27Å; K107-F191 HydrophobicContact CB-CZ 3.67Å; K107-F191 HydrophobicContact CD-CE1 4.39Å; K107-W195 HydrophobicContact CB-CH2 3.65Å; K107-W195 HydrophobicContact CB-CZ2 4.41Å; K107-W195 HydrophobicContact CB-CZ3 3.76Å; K107-W195 HydrophobicContact CD-CH2 4.28Å; K107-W195 HydrophobicContact CD-CZ2 4.24Å; K107-W195 HydrophobicContact CG-CH2 4Å; K107-W195 HydrophobicContact CG-CZ2 4.37Å
108I95.5Very high89.3Confident0 Ų043.4 Ų43.40%025%0.248CC..EExtended strand (participates in β ladder)trans-126.1125.7-173.8-65.2168.5000110.1I66 W71 L106 L118 L121 E128 V129 H130 W195I66-I108 HydrophobicContact CB-CG1 4.46Å; I66-I108 CarbonylContact O-C 3.47Å; I66-I108 WeakPolarHBondContact O-CA 3.2Å; W71-I108 HydrophobicContact CH2-CD1 3.54Å; W71-I108 HydrophobicContact CH2-CG1 3.86Å; W71-I108 HydrophobicContact CH2-CG2 4.2Å; W71-I108 HydrophobicContact CZ2-CB 4.19Å; W71-I108 HydrophobicContact CZ2-CD1 3.86Å; W71-I108 HydrophobicContact CZ2-CG1 3.82Å; W71-I108 HydrophobicContact CZ2-CG2 3.34Å; W71-I108 HydrophobicContact CZ3-CD1 4.08Å; L106-I108 HydrophobicContact CD1-CD1 4.45Å; L106-I108 HydrophobicContact CD1-CG1 4.21Å; L106-I108 HydrophobicContact CD2-CD1 4.05Å; L106-I108 HydrophobicContact CG-CD1 4.1Å; L106-I108 HydrophobicContact CG-CG1 4.16Å; I108-L118 HydrophobicContact CD1-CD2 3.96Å; I108-L118 HydrophobicContact CG2-CD2 3.95Å; I108-L121 HydrophobicContact CD1-CD1 4.1Å; I108-E128 PolarHBondContact N-O 3.38Å; I108-V129 HydrophobicContact CB-CG2 4.31Å; I108-V129 HydrophobicContact CD1-CG2 4.28Å; I108-V129 HydrophobicContact CG2-CG1 4.37Å; I108-H130 PolarHBondContact O-N 2.88Å; I108-W195 WeakPolarHBondContact O-CZ3 2.91Å
109S94.4Very high89.1Confident0 Ų047.5 Ų47.50%026%0.26CS..EExtended strand (participates in β ladder)trans-107.2126.8165.2-69.30000110.3I66 V67 S68 H130I66-S109 PolarHBondContact O-N 3.31Å; V67-S109 WeakPolarHBondContact CA-O 3.42Å; S68-S109 PolarHBondContact N-O 2.94Å; S109-H130 WeakPolarHBondContact CA-O 3.18Å
110T92Very high88.8Confident0 Ų050 Ų500%028%0.275CS..EExtended strand (participates in β ladder)trans-140.7149.3-172.3-177.10000112.5W71 D112 L118 V129 H130 E131 V132W71-T110 VanDerWaalsContact CD1-OG1 3.27Å; T110-D112 WeakPolarHBondContact OG1-CB 3.32Å; T110-D112 PolarHBondContact OG1-N 3.39Å; T110-L118 HydrophobicContact CG2-CD1 3.63Å; T110-V129 HydrophobicContact CG2-CG1 4.07Å; T110-H130 PolarHBondContact N-O 2.87Å; T110-E131 HydrophobicContact CG2-CG 4.19Å; T110-E131 WeakPolarHBondContact O-CA 3.47Å; T110-V132 PolarHBondContact O-N 2.77Å
111G84.6Confident88.8Confident23 Ų2345.4 Ų45.424%0.23726%0.255CS..SBendtrans-96.20.3168.100000113.2F113G111-F113 VanDerWaalsContact O-CD2 3.29Å; G111-F113 WeakPolarHBondContact O-CD2 3.35Å; G111-F113 VanDerWaalsContact O-CE2 3.23Å; G111-F113 WeakPolarHBondContact O-CE2 3.29Å
112D79.4Confident88.7Confident40 Ų4040.2 Ų40.221%0.21423%0.233CC..  trans-99.1113.6-179.9-173.1-2.8000110.3W71 T110 D114W71-D112 PolarHBondContact N-OD2 3.49Å; T110-D112 WeakPolarHBondContact OG1-CB 3.32Å; T110-D112 PolarHBondContact OG1-N 3.39Å; D112-D114 PolarHBondContact OD1-N 2.93Å
113F73.1Confident88.6Confident68 Ų6840.8 Ų40.830%0.29824%0.242SC..SBendtrans-94-12.9-173.3-64.7-92.4000113.3G111 E131 N133G111-F113 VanDerWaalsContact O-CD2 3.29Å; G111-F113 WeakPolarHBondContact O-CD2 3.35Å; G111-F113 VanDerWaalsContact O-CE2 3.23Å; G111-F113 WeakPolarHBondContact O-CE2 3.29Å; F113-E131 HydrophobicContact CD1-CB 3.77Å; F113-E131 HydrophobicContact CD1-CG 4.17Å; F113-E131 VanDerWaalsContact CD1-OE2 3.23Å; F113-E131 WeakPolarHBondContact CD1-OE2 3.31Å; F113-E131 HydrophobicContact CE1-CB 3.45Å; F113-E131 VanDerWaalsContact CE1-CB 3.45Å; F113-E131 HydrophobicContact CE1-CG 4.34Å; F113-E131 HydrophobicContact CZ-CB 4.18Å; F113-N133 HydrophobicContact CE1-CB 4.26Å; F113-N133 HydrophobicContact CZ-CB 3.77Å
114D76.8Confident88.4Confident140 Ų14042.2 Ų42.275%0.74923%0.234SC*.  trans-117.411.9-166.9-75.4-38.3000113.7D112 A116D112-D114 PolarHBondContact OD1-N 2.93Å; D114-A116 PolarHBondContact O-N 2.9Å
115S82.6Confident88Confident11 Ų1143.9 Ų43.98%0.07724%0.241CC..  trans-74.9116.1178.4-175.60000112.5W71 E117 L118 K119W71-S115 PolarHBondContact O-OG 2.95Å; S115-E117 PolarHBondContact O-N 2.99Å; S115-E117 PolarHBondContact OG-N 3.16Å; S115-L118 PolarHBondContact O-N 3.34Å; S115-K119 PolarHBondContact O-N 3.35Å
116A84.6Confident87.6Confident46 Ų4646 Ų4638%0.3826%0.255SS..Hα-helixtrans-63.3-27172.800000112.6F76 D114 T120F76-A116 HydrophobicContact CE2-CB 4.38Å; F76-A116 HydrophobicContact CZ-CB 3.94Å; D114-A116 PolarHBondContact O-N 2.9Å; A116-T120 PolarHBondContact O-N 3.17Å; A116-T120 PolarHBondContact O-OG1 3.11Å
117E86.7Confident87.4Confident9 Ų946.1 Ų46.14%0.04226%0.256CS..Hα-helixtrans-69.9-42.8178.2-55.9-171.413300111.3L72 L73 S74 F76 S115 K119 T120 L121L72-E117 WeakPolarHBondContact CA-OE2 3.41Å; L73-E117 PolarHBondContact N-OE2 3.49Å; S74-E117 VanDerWaalsContact CA-OE1 3.23Å; S74-E117 WeakPolarHBondContact CA-OE1 3.29Å; S74-E117 WeakPolarHBondContact CB-OE1 3.48Å; S74-E117 PolarHBondContact N-OE1 3.13Å; F76-E117 HydrophobicContact CE2-CG 4.28Å; F76-E117 HydrophobicContact CZ-CG 4.2Å; S115-E117 PolarHBondContact O-N 2.99Å; S115-E117 PolarHBondContact OG-N 3.16Å; E117-K119 VanDerWaalsContact C-N 3.33Å; E117-K119 PolarHBondContact O-N 2.79Å; E117-T120 WeakPolarHBondContact O-CB 3.49Å; E117-T120 PolarHBondContact O-N 3.35Å; E117-T120 VanDerWaalsContact O-N 3.17Å; E117-L121 WeakPolarHBondContact O-CG 3.34Å; E117-L121 PolarHBondContact O-N 3.31Å
118L88.5Confident87.3Confident6 Ų648.5 Ų48.53%0.03127%0.268CS..Hα-helixtrans-61.1-42.6175.4-73.4179.8000111.7W71 I108 T110 S115 T120 L121 A122 V129W71-L118 HydrophobicContact CB-CD1 3.94Å; W71-L118 HydrophobicContact CB-CD2 4.22Å; W71-L118 HydrophobicContact CB-CG 3.86Å; W71-L118 HydrophobicContact CD2-CD2 3.53Å; W71-L118 HydrophobicContact CD2-CG 4.19Å; W71-L118 HydrophobicContact CE3-CD2 3.82Å; W71-L118 HydrophobicContact CG-CD1 3.84Å; W71-L118 HydrophobicContact CG-CD2 3.72Å; W71-L118 HydrophobicContact CG-CG 3.85Å; W71-L118 HydrophobicContact CZ2-CD2 4.43Å; W71-L118 HydrophobicContact CZ3-CD2 4.37Å; I108-L118 HydrophobicContact CD1-CD2 3.96Å; I108-L118 HydrophobicContact CG2-CD2 3.95Å; T110-L118 HydrophobicContact CG2-CD1 3.63Å; S115-L118 PolarHBondContact O-N 3.34Å; L118-T120 VanDerWaalsContact C-N 3.32Å; L118-T120 PolarHBondContact O-N 2.95Å; L118-L121 PolarHBondContact O-N 2.84Å; L118-A122 WeakPolarHBondContact O-CB 3.43Å; L118-A122 PolarHBondContact O-N 3.34Å; L118-V129 HydrophobicContact CB-CG1 4.33Å; L118-V129 HydrophobicContact CD1-CG1 4.27Å; L118-V129 HydrophobicContact CD2-CG1 4.23Å; L118-V129 HydrophobicContact CD2-CG2 4.36Å
119K88Confident87.2Confident106 Ų10649.9 Ų49.946%0.46128%0.276SS..Hα-helixtrans-60.2-43.6174-66.2173.8-175.4169.20111.1S115 E117 L121 A122 D123S115-K119 PolarHBondContact O-N 3.35Å; E117-K119 VanDerWaalsContact C-N 3.33Å; E117-K119 PolarHBondContact O-N 2.79Å; K119-L121 PolarHBondContact O-N 2.88Å; K119-A122 PolarHBondContact O-N 3.5Å; K119-D123 WeakPolarHBondContact O-CB 3.27Å; K119-D123 VanDerWaalsContact O-CG 3.23Å; K119-D123 PolarHBondContact O-N 3.44Å
120T88.4Confident87.1Confident55 Ų5551.1 Ų51.134%0.33728%0.282SS..Hα-helixtrans-63.4-41.2176.7-55.90000112.1A116 E117 L118 N124A116-T120 PolarHBondContact O-N 3.17Å; A116-T120 PolarHBondContact O-OG1 3.11Å; E117-T120 WeakPolarHBondContact O-CB 3.49Å; E117-T120 PolarHBondContact O-N 3.35Å; E117-T120 VanDerWaalsContact O-N 3.17Å; L118-T120 VanDerWaalsContact C-N 3.32Å; L118-T120 PolarHBondContact O-N 2.95Å; T120-N124 WeakPolarHBondContact O-CB 3.45Å; T120-N124 PolarHBondContact O-N 2.95Å
121L90Very high87Confident1 Ų154.4 Ų54.41%0.00530%0.297CS..Hα-helixtrans-64.4-43176.4-74.2170.1000111.5W71 L93 Q97 I108 E117 L118 K119 H125 D126 A127W71-L121 HydrophobicContact CZ3-CD1 4.31Å; L93-L121 HydrophobicContact CD1-CD1 4.08Å; L93-L121 HydrophobicContact CD1-CD2 4.21Å; L93-L121 HydrophobicContact CD1-CG 4.33Å; Q97-L121 HydrophobicContact CG-CD2 3.66Å; I108-L121 HydrophobicContact CD1-CD1 4.1Å; E117-L121 WeakPolarHBondContact O-CG 3.34Å; E117-L121 PolarHBondContact O-N 3.31Å; L118-L121 PolarHBondContact O-N 2.84Å; K119-L121 PolarHBondContact O-N 2.88Å; L121-H125 HydrophobicContact CD2-CB 4.28Å; L121-H125 CarbonylContact O-C 3.33Å; L121-H125 VanDerWaalsContact O-CA 3.3Å; L121-H125 WeakPolarHBondContact O-CA 3.32Å; L121-H125 WeakPolarHBondContact O-CB 3.07Å; L121-H125 PolarHBondContact O-N 3.31Å; L121-D126 PolarHBondContact O-N 2.68Å; L121-A127 HydrophobicContact CB-CB 3.91Å; L121-A127 WeakPolarHBondContact O-CB 3.11Å; L121-A127 PolarHBondContact O-N 3.34Å
122A90.4Very high87.3Confident38 Ų3853.3 Ų53.331%0.31429%0.286SS..Hα-helixtrans-65.6-50.6177.300000112.2L118 K119 A127 V129L118-A122 WeakPolarHBondContact O-CB 3.43Å; L118-A122 PolarHBondContact O-N 3.34Å; K119-A122 PolarHBondContact O-N 3.5Å; A122-A127 WeakPolarHBondContact CA-O 3.45Å; A122-V129 HydrophobicContact CB-CG2 4.04Å
123D89.3Confident87.7Confident131 Ų13154.5 Ų54.570%0.70129%0.292SS*.Hα-helixtrans-74-38.2-172.3-66.2-23.7000112.7K119K119-D123 WeakPolarHBondContact O-CB 3.27Å; K119-D123 VanDerWaalsContact O-CG 3.23Å; K119-D123 PolarHBondContact O-N 3.44Å
124N87.8Confident88.5Confident96 Ų9651.5 Ų51.551%0.51328%0.279SS..Hα-helixtrans-108.2-25.5-170.3-60.8-31.5000113.6K100 T120K100-N124 PolarHBondContact NZ-O 3.27Å; T120-N124 WeakPolarHBondContact O-CB 3.45Å; T120-N124 PolarHBondContact O-N 2.95Å
125H88.1Confident89Confident47 Ų4748.7 Ų48.722%0.21827%0.267CS..Hα-helixtrans-117.114-169.5-61.2-81000114.6Q97 L121 A127Q97-H125 PolarHBondContact O-ND1 2.96Å; Q97-H125 VanDerWaalsContact O-ND1 3.15Å; L121-H125 HydrophobicContact CD2-CB 4.28Å; L121-H125 CarbonylContact O-C 3.33Å; L121-H125 VanDerWaalsContact O-CA 3.3Å; L121-H125 WeakPolarHBondContact O-CA 3.32Å; L121-H125 WeakPolarHBondContact O-CB 3.07Å; L121-H125 PolarHBondContact O-N 3.31Å; H125-A127 PolarHBondContact O-N 3.49Å
126D87.9Confident89.2Confident120 Ų12050.4 Ų50.464%0.64228%0.282SS*.  trans56.530.7175.3-156.834.5000112.9K100 L121K100-D126 HydrophobicContact CD-CB 4.13Å; K100-D126 HydrophobicContact CG-CB 4.33Å; L121-D126 PolarHBondContact O-N 2.68Å
127A92.3Very high89.3Confident6 Ų649.2 Ų49.25%0.0527%0.269CS..  trans-85.7130.5175.500000110L106 L121 A122 H125 V129L106-A127 HydrophobicContact CB-CB 4.12Å; L106-A127 HydrophobicContact CD2-CB 3.84Å; L106-A127 HydrophobicContact CG-CB 4.02Å; L106-A127 CarbonylContact O-C 3.54Å; L106-A127 WeakPolarHBondContact O-CA 3.26Å; L121-A127 HydrophobicContact CB-CB 3.91Å; L121-A127 WeakPolarHBondContact O-CB 3.11Å; L121-A127 PolarHBondContact O-N 3.34Å; A122-A127 WeakPolarHBondContact CA-O 3.45Å; H125-A127 PolarHBondContact O-N 3.49Å; A127-V129 PolarHBondContact O-N 3.29Å
128E93.6Very high89.3Confident76 Ų7649.5 Ų49.536%0.35527%0.271SS..EExtended strand (participates in β ladder)trans-85.6111.6174.3-67.3176.1-163.300109.1Q105 L106 K107 I108 W195Q105-E128 PolarHBondContact NE2-OE1 3.26Å; L106-E128 PolarHBondContact O-N 3.06Å; K107-E128 CarbonylContact C-O 3.59Å; K107-E128 WeakPolarHBondContact CA-O 3.42Å; K107-E128 HydrophobicContact CG-CB 4.44Å; I108-E128 PolarHBondContact N-O 3.38Å; E128-W195 HydrophobicContact CB-CH2 3.55Å; E128-W195 HydrophobicContact CB-CZ2 3.93Å; E128-W195 WeakPolarHBondContact O-CH2 3.39Å; E128-W195 WeakPolarHBondContact OE2-CZ2 3.33Å
129V92.5Very high89.2Confident29 Ų2955.1 Ų55.118%0.17630%0.296CS..EExtended strand (participates in β ladder)trans-108.3118.3-178.5-175.60000110I108 T110 L118 A122 A127I108-V129 HydrophobicContact CB-CG2 4.31Å; I108-V129 HydrophobicContact CD1-CG2 4.28Å; I108-V129 HydrophobicContact CG2-CG1 4.37Å; T110-V129 HydrophobicContact CG2-CG1 4.07Å; L118-V129 HydrophobicContact CB-CG1 4.33Å; L118-V129 HydrophobicContact CD1-CG1 4.27Å; L118-V129 HydrophobicContact CD2-CG1 4.23Å; L118-V129 HydrophobicContact CD2-CG2 4.36Å; A122-V129 HydrophobicContact CB-CG2 4.04Å; A127-V129 PolarHBondContact O-N 3.29Å
130H92.3Very high89.1Confident26 Ų2650.2 Ų50.212%0.1228%0.275CS..EExtended strand (participates in β ladder)trans-111.9114.8178.9-78.8-143.1000110.2I108 S109 T110 W195 Q198I108-H130 PolarHBondContact O-N 2.88Å; S109-H130 WeakPolarHBondContact CA-O 3.18Å; T110-H130 PolarHBondContact N-O 2.87Å; H130-W195 HydrophobicContact CB-CD2 4.21Å; H130-W195 HydrophobicContact CB-CE3 3.68Å; H130-W195 HydrophobicContact CB-CH2 4.26Å; H130-W195 HydrophobicContact CB-CZ3 3.7Å; H130-W195 AromaticContact CD2-CE2 3.8Å; H130-W195 AromaticContact CD2-CH2 3.3Å; H130-W195 WeakPolarHBondContact CD2-CH2 3.41Å; H130-W195 AromaticContact CD2-CZ2 3.37Å; H130-W195 WeakPolarHBondContact CD2-CZ2 3.45Å; H130-W195 AromaticContact CD2-CZ3 3.69Å; H130-W195 AromaticContact CE1-CD1 3.84Å; H130-W195 AromaticContact CE1-CD2 3.68Å; H130-W195 AromaticContact CE1-CE2 3.13Å; H130-W195 AromaticContact CE1-CZ2 3.38Å; H130-W195 WeakPolarHBondContact CE1-CZ2 3.37Å; H130-W195 AromaticContact CE1-NE1 3.23Å; H130-W195 PolarHBondContact CE1-NE1 3.35Å; H130-W195 AromaticContact CG-CD2 3.66Å; H130-W195 AromaticContact CG-CE2 3.72Å; H130-W195 AromaticContact CG-CE3 3.56Å; H130-W195 AromaticContact CG-CH2 3.63Å; H130-W195 AromaticContact CG-CZ2 3.74Å; H130-W195 AromaticContact CG-CZ3 3.53Å; H130-W195 AromaticContact ND1-CD1 3.84Å; H130-W195 AromaticContact ND1-CD2 3.3Å; H130-W195 VanDerWaalsContact ND1-CD2 3.3Å; H130-W195 AromaticContact ND1-CE2 3.29Å; H130-W195 VanDerWaalsContact ND1-CE2 3.29Å; H130-W195 AromaticContact ND1-CE3 3.71Å; H130-W195 AromaticContact ND1-CG 3.7Å; H130-W195 AromaticContact ND1-CZ2 3.73Å; H130-W195 AromaticContact ND1-NE1 3.6Å; H130-W195 PolarHBondContact ND1-O 3.04Å; H130-W195 AromaticContact NE2-CE2 3.48Å; H130-W195 AromaticContact NE2-CH2 3.65Å; H130-W195 AromaticContact NE2-CZ2 3.17Å; H130-W195 WeakPolarHBondContact NE2-CZ2 3.46Å; H130-W195 AromaticContact NE2-NE1 3.92Å; H130-Q198 HydrophobicContact CB-CB 4.3Å; H130-Q198 HydrophobicContact CB-CG 4.09Å; H130-Q198 PolarHBondContact CD2-NE2 3.39Å; H130-Q198 VanDerWaalsContact CD2-NE2 3.28Å; H130-Q198 PolarHBondContact CE1-OE1 3.23Å; H130-Q198 VanDerWaalsContact CG-CD 3.43Å; H130-Q198 VanDerWaalsContact ND1-CD 3.28Å; H130-Q198 PolarHBondContact ND1-OE1 3.43Å; H130-Q198 VanDerWaalsContact ND1-OE1 3.15Å; H130-Q198 PolarHBondContact NE2-NE2 3.46Å; H130-Q198 PolarHBondContact NE2-OE1 3.14Å
131E90.3Very high89.3Confident69 Ų6953.4 Ų53.432%0.32228%0.284SS..EExtended strand (participates in β ladder)trans-90.2127.2178.8-56.9174.2161.300110.6T110 F113T110-E131 HydrophobicContact CG2-CG 4.19Å; T110-E131 WeakPolarHBondContact O-CA 3.47Å; F113-E131 HydrophobicContact CD1-CB 3.77Å; F113-E131 HydrophobicContact CD1-CG 4.17Å; F113-E131 VanDerWaalsContact CD1-OE2 3.23Å; F113-E131 WeakPolarHBondContact CD1-OE2 3.31Å; F113-E131 HydrophobicContact CE1-CB 3.45Å; F113-E131 VanDerWaalsContact CE1-CB 3.45Å; F113-E131 HydrophobicContact CE1-CG 4.34Å; F113-E131 HydrophobicContact CZ-CB 4.18Å
132V90.1Very high89.4Confident0 Ų053.6 Ų53.60%029%0.285CS..  trans-108.7105.8-176.7-174.10000109.8T110 M134 L137 Y194 L197T110-V132 PolarHBondContact O-N 2.77Å; V132-M134 VanDerWaalsContact C-N 3.29Å; V132-M134 HydrophobicContact CG1-CG 4.13Å; V132-M134 HydrophobicContact CG1-SD 3.77Å; V132-M134 PolarHBondContact O-N 2.93Å; V132-L137 HydrophobicContact CG1-CD1 4.14Å; V132-Y194 WeakPolarHBondContact CG2-O 3.45Å; V132-L197 HydrophobicContact CG1-CB 4.22Å
133N89.1Confident89.5Confident65 Ų6555.7 Ų55.735%0.34829%0.287SS..  trans-79.478.1-178.4-165.8-23.3000111.9F113 T135 A136 L137F113-N133 HydrophobicContact CE1-CB 4.26Å; F113-N133 HydrophobicContact CZ-CB 3.77Å; N133-T135 PolarHBondContact O-N 2.85Å; N133-T135 WeakPolarHBondContact OD1-CB 3.32Å; N133-T135 PolarHBondContact OD1-N 3.38Å; N133-A136 HydrophobicContact CB-CB 4.19Å; N133-A136 PolarHBondContact O-N 2.96Å; N133-A136 VanDerWaalsContact O-N 3.14Å; N133-A136 PolarHBondContact OD1-N 2.96Å; N133-L137 WeakPolarHBondContact O-CG 3.4Å; N133-L137 PolarHBondContact O-N 3.45Å; N133-L137 VanDerWaalsContact O-N 3.09Å
134M88.5Confident89.8Confident4 Ų449.4 Ų49.42%0.0225%0.254CS..Hα-helixtrans-61.5-29.8177.3-69.1-56.5-56.200113V132 A136 L137 T138 K139 G140 L142 F241 A381V132-M134 VanDerWaalsContact C-N 3.29Å; V132-M134 HydrophobicContact CG1-CG 4.13Å; V132-M134 HydrophobicContact CG1-SD 3.77Å; V132-M134 PolarHBondContact O-N 2.93Å; M134-A136 VanDerWaalsContact C-N 3.31Å; M134-A136 PolarHBondContact O-N 3.48Å; M134-L137 PolarHBondContact O-N 3.16Å; M134-L137 HydrophobicContact SD-CD1 4.25Å; M134-T138 HydrophobicContact CE-CG2 3.87Å; M134-T138 VanDerWaalsContact CE-OG1 3.26Å; M134-T138 WeakPolarHBondContact CE-OG1 3.06Å; M134-T138 PolarHBondContact O-N 2.98Å; M134-T138 PolarHBondContact O-OG1 2.84Å; M134-K139 PolarHBondContact O-N 3.44Å; M134-G140 CarbonylContact C-O 3.49Å; M134-G140 VanDerWaalsContact CB-O 3.24Å; M134-G140 WeakPolarHBondContact CB-O 3.13Å; M134-G140 PolarHBondContact O-N 3.3Å; M134-L142 HydrophobicContact CG-CB 4Å; M134-F241 HydrophobicContact CE-CD2 4.43Å; M134-F241 HydrophobicContact CE-CE2 3.37Å; M134-F241 HydrophobicContact CE-CZ 3.58Å; M134-F241 HydrophobicContact SD-CE2 3.47Å; M134-F241 WeakPolarHBondContact SD-CE2 3.33Å; M134-F241 HydrophobicContact SD-CZ 3.56Å; M134-F241 VanDerWaalsContact SD-CZ 3.56Å; M134-A381 HydrophobicContact CE-CB 3.64Å; M134-A381 HydrophobicContact SD-CB 4.05Å
135T87.6Confident90.1Very high82 Ų8244.9 Ų44.950%0.50323%0.23SC..Hα-helixtrans-63-40.1175.2-51.90000111.3N133 K139 G140N133-T135 PolarHBondContact O-N 2.85Å; N133-T135 WeakPolarHBondContact OD1-CB 3.32Å; N133-T135 PolarHBondContact OD1-N 3.38Å; T135-K139 VanDerWaalsContact O-CA 3.24Å; T135-K139 WeakPolarHBondContact O-CA 3.5Å; T135-K139 PolarHBondContact O-N 2.97Å; T135-G140 PolarHBondContact N-O 2.83Å
136A86.9Confident90.6Very high46 Ų4642.7 Ų42.738%0.3822%0.219SC..Hα-helixtrans-72.6-38.3175.400000112.4N133 M134N133-A136 HydrophobicContact CB-CB 4.19Å; N133-A136 PolarHBondContact O-N 2.96Å; N133-A136 VanDerWaalsContact O-N 3.14Å; N133-A136 PolarHBondContact OD1-N 2.96Å; M134-A136 VanDerWaalsContact C-N 3.31Å; M134-A136 PolarHBondContact O-N 3.48Å
137L87.4Confident91Very high21 Ų2137 Ų3711%0.1119%0.189CC..Hα-helixtrans-78.9-49.2-173.7-65.9171.2000113.5V132 N133 M134 L197 K200 I203 F241V132-L137 HydrophobicContact CG1-CD1 4.14Å; N133-L137 WeakPolarHBondContact O-CG 3.4Å; N133-L137 PolarHBondContact O-N 3.45Å; N133-L137 VanDerWaalsContact O-N 3.09Å; M134-L137 PolarHBondContact O-N 3.16Å; M134-L137 HydrophobicContact SD-CD1 4.25Å; L137-L197 HydrophobicContact CD1-CB 4.26Å; L137-L197 HydrophobicContact CD1-CD1 4.08Å; L137-L197 HydrophobicContact CD1-CD2 4.25Å; L137-L197 HydrophobicContact CD1-CG 4.45Å; L137-L197 HydrophobicContact CD2-CD2 4.5Å; L137-K200 HydrophobicContact CD2-CB 4.43Å; L137-I203 HydrophobicContact CB-CD1 4.36Å; L137-I203 HydrophobicContact CB-CG1 4.2Å; L137-I203 HydrophobicContact CD2-CG1 3.96Å; L137-F241 HydrophobicContact CD1-CZ 4.24Å
138T86.7Confident91.3Very high15 Ų1536.7 Ų36.79%0.09219%0.186CC..THydrogen-bonded Turntrans-129.4-2.7-172.664.10000113.2M134 G140 I203 P238 V240 F241 Y379M134-T138 HydrophobicContact CE-CG2 3.87Å; M134-T138 VanDerWaalsContact CE-OG1 3.26Å; M134-T138 WeakPolarHBondContact CE-OG1 3.06Å; M134-T138 PolarHBondContact O-N 2.98Å; M134-T138 PolarHBondContact O-OG1 2.84Å; T138-G140 PolarHBondContact O-N 3.32Å; T138-G140 PolarHBondContact OG1-N 2.9Å; T138-I203 HydrophobicContact CG2-CD1 3.85Å; T138-P238 HydrophobicContact CG2-CG 4.06Å; T138-V240 HydrophobicContact CG2-CG2 3.74Å; T138-F241 HydrophobicContact CG2-CE1 4.43Å; T138-F241 HydrophobicContact CG2-CZ 4.31Å; T138-Y379 WeakPolarHBondContact CB-O 2.95Å; T138-Y379 WeakPolarHBondContact O-CD1 3.48Å; T138-Y379 PolarHBondContact OG1-O 3.43Å
139K85.7Confident91.4Very high125 Ų12533 Ų3354%0.54317%0.17SC..SBendtrans62.219.5-169.9-49.2176.4-179.6178.20113.5M134 T135 F279M134-K139 PolarHBondContact O-N 3.44Å; T135-K139 VanDerWaalsContact O-CA 3.24Å; T135-K139 WeakPolarHBondContact O-CA 3.5Å; T135-K139 PolarHBondContact O-N 2.97Å; K139-F279 HydrophobicContact CB-CE2 3.94Å; K139-F279 HydrophobicContact CB-CZ 4.31Å; K139-F279 HydrophobicContact CD-CD2 4.21Å; K139-F279 HydrophobicContact CD-CE2 4.24Å; K139-F279 HydrophobicContact CD-CG 4.36Å; K139-F279 HydrophobicContact CD-CZ 4.42Å
140G87Confident91.5Very high2 Ų233.2 Ų33.22%0.02117%0.169CC..SBendtrans-116.1-158.2175.200000112M134 T135 T138 N380M134-G140 CarbonylContact C-O 3.49Å; M134-G140 VanDerWaalsContact CB-O 3.24Å; M134-G140 WeakPolarHBondContact CB-O 3.13Å; M134-G140 PolarHBondContact O-N 3.3Å; T135-G140 PolarHBondContact N-O 2.83Å; T138-G140 PolarHBondContact O-N 3.32Å; T138-G140 PolarHBondContact OG1-N 2.9Å; G140-N380 WeakPolarHBondContact CA-OD1 2.98Å
141F91.2Very high91.6Very high123 Ų12334 Ų3454%0.53917%0.171SC..  trans-128.6155.7-177.5-59.1-83.6000111.4K143 N380 A381F141-K143 PolarHBondContact O-N 3.14Å; F141-N380 PolarHBondContact N-OD1 3.48Å; F141-N380 CarbonylContact O-C 3.58Å; F141-N380 VanDerWaalsContact O-CA 3.22Å; F141-N380 WeakPolarHBondContact O-CA 3.45Å; F141-N380 WeakPolarHBondContact O-CB 2.9Å; F141-A381 PolarHBondContact O-N 3.44Å
142L92.9Very high91.7Very high5 Ų534.9 Ų34.93%0.02617%0.174CC..BIsolated β-bridgetrans-73.7123.2164.8-175.362.7000107.2V67 P69 M134 Y194 A381V67-L142 HydrophobicContact CG1-CD1 4.2Å; V67-L142 HydrophobicContact CG1-CD2 3.9Å; V67-L142 HydrophobicContact CG1-CG 4.31Å; P69-L142 WeakPolarHBondContact CB-O 3.25Å; M134-L142 HydrophobicContact CG-CB 4Å; L142-Y194 HydrophobicContact CD1-CD2 4.16Å; L142-Y194 HydrophobicContact CD1-CE1 4.42Å; L142-Y194 HydrophobicContact CD1-CE2 3.89Å; L142-A381 HydrophobicContact CD1-CB 3.71Å
143K93.3Very high91.9Very high81 Ų8135.2 Ų35.235%0.35218%0.176SC..  trans-120.4-14.7177.8-68-63.6-173.2-178.50112.3F141 S145 N369 L370 N380 A381F141-K143 PolarHBondContact O-N 3.14Å; K143-S145 PolarHBondContact O-N 3.06Å; K143-N369 WeakPolarHBondContact O-CB 3.38Å; K143-L370 HydrophobicContact CB-CD2 3.73Å; K143-L370 HydrophobicContact CG-CD2 4.23Å; K143-N380 HydrophobicContact CG-CB 3.88Å; K143-A381 CarbonylContact C-O 3.55Å; K143-A381 WeakPolarHBondContact CA-O 3.41Å; K143-A381 PolarHBondContact N-O 2.75Å
144S94Very high92.3Very high0 Ų032.1 Ų32.10%016%0.159CC..  trans-52132.1174.5-61.30000111.9P69 Y194 N369 A381 G382 A383P69-S144 WeakPolarHBondContact CD-O 3.26Å; S144-Y194 PolarHBondContact OG-OH 3.39Å; S144-N369 WeakPolarHBondContact CA-OD1 3.24Å; S144-A381 PolarHBondContact N-O 2.87Å; S144-A381 PolarHBondContact OG-O 3.01Å; S144-G382 WeakPolarHBondContact OG-CA 3.31Å; S144-G382 PolarHBondContact OG-N 3.32Å; S144-A383 PolarHBondContact OG-N 2.57Å
145S95.4Very high92.7Very high1 Ų132 Ų321%0.00716%0.158CC..  trans-135.8109.4170.6-164.90000111.1V67 K143 G157 A159 N369V67-S145 WeakPolarHBondContact O-CA 3.47Å; K143-S145 PolarHBondContact O-N 3.06Å; S145-G157 PolarHBondContact O-N 2.93Å; S145-A159 PolarHBondContact OG-O 3.43Å; S145-N369 PolarHBondContact N-ND2 3.41Å; S145-N369 PolarHBondContact N-OD1 3.01Å
146F97.4Very high93.2Very high0 Ų028 Ų280%013%0.134CC..EExtended strand (participates in β ladder)trans-161.1158.6-179.167.5-102.1000111.3V67 V148 Y155 I156 L187 I190 F191 Y194 A383V67-F146 HydrophobicContact CB-CD1 4.08Å; V67-F146 HydrophobicContact CB-CD2 4.44Å; V67-F146 HydrophobicContact CB-CE1 3.89Å; V67-F146 HydrophobicContact CB-CE2 4.26Å; V67-F146 HydrophobicContact CB-CG 4.36Å; V67-F146 HydrophobicContact CB-CZ 4Å; V67-F146 HydrophobicContact CG1-CE1 4.26Å; V67-F146 HydrophobicContact CG2-CD1 4.28Å; V67-F146 HydrophobicContact CG2-CD2 4.12Å; V67-F146 HydrophobicContact CG2-CE1 3.72Å; V67-F146 HydrophobicContact CG2-CE2 3.52Å; V67-F146 HydrophobicContact CG2-CG 4.47Å; V67-F146 HydrophobicContact CG2-CZ 3.3Å; V67-F146 PolarHBondContact N-O 2.79Å; V67-F146 PolarHBondContact O-N 2.94Å; V67-F146 VanDerWaalsContact O-N 3.12Å; F146-V148 HydrophobicContact CD2-CG2 4.12Å; F146-V148 HydrophobicContact CE2-CG2 4.15Å; F146-Y155 CarbonylContact C-O 3.57Å; F146-Y155 WeakPolarHBondContact CA-O 3.3Å; F146-Y155 WeakPolarHBondContact CB-O 3.48Å; F146-I156 HydrophobicContact CB-CB 4.16Å; F146-I156 HydrophobicContact CB-CG1 4.19Å; F146-L187 HydrophobicContact CB-CD1 4.41Å; F146-L187 HydrophobicContact CB-CD2 4.02Å; F146-L187 HydrophobicContact CD1-CD1 3.96Å; F146-L187 HydrophobicContact CD2-CD1 3.79Å; F146-L187 HydrophobicContact CD2-CD2 3.69Å; F146-L187 HydrophobicContact CD2-CG 3.52Å; F146-L187 HydrophobicContact CE1-CD1 4.04Å; F146-L187 HydrophobicContact CE2-CD1 3.88Å; F146-L187 HydrophobicContact CE2-CD2 4.35Å; F146-L187 HydrophobicContact CE2-CG 3.68Å; F146-L187 HydrophobicContact CG-CD1 3.82Å; F146-L187 HydrophobicContact CG-CD2 4.01Å; F146-L187 HydrophobicContact CG-CG 4.02Å; F146-L187 HydrophobicContact CZ-CD1 4Å; F146-L187 HydrophobicContact CZ-CG 4.28Å; F146-I190 HydrophobicContact CE1-CG2 3.99Å; F146-I190 HydrophobicContact CZ-CB 4.21Å; F146-I190 HydrophobicContact CZ-CG2 3.97Å; F146-F191 HydrophobicContact CE2-CB 4.03Å; F146-F191 HydrophobicContact CZ-CB 4.19Å; F146-Y194 HydrophobicContact CE1-CE2 4Å; F146-Y194 HydrophobicContact CZ-CE2 4.33Å; F146-A383 HydrophobicContact CD1-CB 4.24Å; F146-A383 HydrophobicContact CE1-CB 4.33Å
147W97.4Very high93.5Very high0 Ų025.9 Ų25.90%012%0.116CC..EExtended strand (participates in β ladder)trans-125.1142.4176.9-65.828.9000108.8L53 L57 V64 E65 I66 L92 L96 F154 Y155 M161L53-W147 HydrophobicContact CB-CH2 4.4Å; L53-W147 HydrophobicContact CD1-CZ2 4.26Å; L53-W147 HydrophobicContact CD2-CD2 4.12Å; L53-W147 HydrophobicContact CD2-CE3 4.45Å; L53-W147 HydrophobicContact CD2-CZ2 4.21Å; L57-W147 HydrophobicContact CD1-CH2 4.44Å; L57-W147 HydrophobicContact CD1-CZ3 4.28Å; L57-W147 HydrophobicContact CD2-CH2 4.5Å; L57-W147 HydrophobicContact CD2-CZ3 3.72Å; L57-W147 HydrophobicContact CG-CZ3 3.89Å; V64-W147 HydrophobicContact CG1-CE3 4.35Å; E65-W147 CarbonylContact O-C 3.56Å; E65-W147 VanDerWaalsContact O-CA 3.27Å; E65-W147 WeakPolarHBondContact O-CA 3.11Å; I66-W147 HydrophobicContact CD1-CD2 3.95Å; I66-W147 HydrophobicContact CD1-CE3 4.09Å; I66-W147 HydrophobicContact CD1-CH2 3.91Å; I66-W147 HydrophobicContact CD1-CZ2 3.79Å; I66-W147 HydrophobicContact CD1-CZ3 4.07Å; I66-W147 HydrophobicContact CG1-CD2 3.85Å; I66-W147 HydrophobicContact CG1-CE3 4.23Å; I66-W147 HydrophobicContact CG1-CG 4.06Å; I66-W147 HydrophobicContact CG2-CG 4.41Å; L92-W147 HydrophobicContact CD1-CH2 4.06Å; L92-W147 HydrophobicContact CD2-CH2 4.31Å; L92-W147 HydrophobicContact CD2-CZ2 4.3Å; L92-W147 HydrophobicContact CG-CH2 4.47Å; L96-W147 HydrophobicContact CD2-CH2 4.14Å; L96-W147 HydrophobicContact CD2-CZ3 4.43Å; W147-F154 CarbonylContact O-C 3.51Å; W147-F154 WeakPolarHBondContact O-CA 3.26Å; W147-F154 WeakPolarHBondContact O-CB 3.33Å; W147-Y155 AromaticContact CD1-CD1 3.93Å; W147-Y155 HydrophobicContact CG-CD1 4.38Å; W147-Y155 PolarHBondContact N-O 3.42Å; W147-Y155 PolarHBondContact O-N 2.84Å; W147-M161 HydrophobicContact CZ2-CE 3.64Å; W147-M161 HydrophobicContact CZ2-SD 3.39Å; W147-M161 WeakPolarHBondContact CZ2-SD 3.39Å
148V97.7Very high93.8Very high0 Ų025 Ų250%011%0.112CC..EExtended strand (participates in β ladder)trans-122132.2167.7-1760000107.8E65 F146 F154 A184 L187 H188E65-V148 HydrophobicContact CB-CB 4.21Å; E65-V148 PolarHBondContact N-O 2.89Å; E65-V148 PolarHBondContact O-N 2.84Å; F146-V148 HydrophobicContact CD2-CG2 4.12Å; F146-V148 HydrophobicContact CE2-CG2 4.15Å; V148-F154 HydrophobicContact CG2-CB 4.44Å; V148-A184 HydrophobicContact CG1-CB 4.45Å; V148-L187 HydrophobicContact CG2-CB 4Å; V148-L187 HydrophobicContact CG2-CD2 3.95Å; V148-L187 HydrophobicContact CG2-CG 3.84Å; V148-H188 HydrophobicContact CG1-CB 4.3Å
149V97Very high94Very high0 Ų024.4 Ų24.40%011%0.108CC..EExtended strand (participates in β ladder)trans-126.4122.5-177.91780000109.1L56 A60 V64 R151 K152 H153L56-V149 HydrophobicContact CB-CG2 4.15Å; A60-V149 HydrophobicContact CB-CG1 3.51Å; V64-V149 HydrophobicContact CG1-CG2 4.3Å; V64-V149 HydrophobicContact CG2-CG1 4.33Å; V64-V149 HydrophobicContact CG2-CG2 4.27Å; V149-R151 PolarHBondContact O-N 2.93Å; V149-K152 PolarHBondContact O-N 2.83Å; V149-H153 HydrophobicContact CB-CB 4.34Å; V149-H153 PolarHBondContact N-O 2.92Å; V149-H153 PolarHBondContact O-N 3.42Å
150D94.3Very high94.2Very high32 Ų3219 Ų1917%0.1719%0.086CC..THydrogen-bonded Turntrans47.828.5-176.9-55-31.3000113.1A60 R61 V62 D63 K152A60-D150 WeakPolarHBondContact CA-OD2 2.93Å; R61-D150 PolarHBondContact N-OD1 2.73Å; R61-D150 VanDerWaalsContact N-OD1 3.1Å; R61-D150 PolarHBondContact N-OD2 3.39Å; V62-D150 WeakPolarHBondContact CA-OD1 3.42Å; V62-D150 PolarHBondContact N-OD1 3.33Å; D63-D150 PolarHBondContact N-OD1 3.49Å; D63-D150 PolarHBondContact O-N 2.9Å; D150-K152 WeakPolarHBondContact O-CB 3.26Å; D150-K152 PolarHBondContact O-N 2.99Å
151R93.6Very high94.4Very high43 Ų4319 Ų1916%0.1629%0.086CC..THydrogen-bonded Turntrans48.828.4-173.7-57171.2-167.1-144.6-14.4114.3E13 E65 V149 A184 L185 H188E13-R151 IonicContact OE1-CZ 3.39Å; E13-R151 IonicContact OE1-NH1 3.36Å; E13-R151 IonicContact OE1-NH2 3.39Å; E13-R151 PolarHBondContact OE1-NH2 3.4Å; E13-R151 IonicContact OE2-CZ 2.75Å; E13-R151 IonicContact OE2-NH1 3.22Å; E13-R151 PolarHBondContact OE2-NH1 2.76Å; E13-R151 IonicContact OE2-NH2 2.76Å; E13-R151 PolarHBondContact OE2-NH2 3.36Å; E65-R151 IonicContact OE1-NH2 2.71Å; V149-R151 PolarHBondContact O-N 2.93Å; R151-A184 VanDerWaalsContact C-CB 3.43Å; R151-A184 VanDerWaalsContact O-CB 3.31Å; R151-A184 WeakPolarHBondContact O-CB 3.5Å; R151-L185 HydrophobicContact CB-CD2 3.79Å; R151-L185 HydrophobicContact CB-CG 4.49Å; R151-L185 HydrophobicContact CG-CD2 4.28Å; R151-H188 VanDerWaalsContact CZ-CE1 3.43Å; R151-H188 PolarHBondContact NH1-NE2 3.22Å; R151-H188 PolarHBondContact NH2-CE1 3.47Å
152K92.7Very high94.3Very high87 Ų8713.5 Ų13.538%0.3786%0.062SC..THydrogen-bonded Turntrans-132.7-33.7-171.8-174.3179.8180-152.10112.8V149 D150 D179 C180V149-K152 PolarHBondContact O-N 2.83Å; D150-K152 WeakPolarHBondContact O-CB 3.26Å; D150-K152 PolarHBondContact O-N 2.99Å; K152-D179 WeakPolarHBondContact CE-OD1 3.45Å; K152-D179 IonicContact NZ-OD1 3.5Å; K152-D179 PolarHBondContact NZ-OD1 2.55Å; K152-D179 PolarHBondContact O-N 2.89Å; K152-C180 CarbonylContact O-C 3.38Å; K152-C180 PolarHBondContact O-N 2.96Å
153H95.3Very high93.9Very high8 Ų813.9 Ų13.94%0.0376%0.063CC..EExtended strand (participates in β ladder)trans-120.2149.9177-48.5-84.2000108.7L56 V149 V177 Y178 D179L56-H153 HydrophobicContact CD2-CB 3.53Å; V149-H153 HydrophobicContact CB-CB 4.34Å; V149-H153 PolarHBondContact N-O 2.92Å; V149-H153 PolarHBondContact O-N 3.42Å; H153-V177 CarbonylContact C-O 3.57Å; H153-V177 VanDerWaalsContact CA-O 3.26Å; H153-V177 WeakPolarHBondContact CA-O 3.42Å; H153-Y178 HydrophobicContact CB-CD1 4.39Å; H153-Y178 VanDerWaalsContact ND1-CA 3.26Å; H153-Y178 WeakPolarHBondContact ND1-CA 3.27Å; H153-Y178 WeakPolarHBondContact ND1-CB 3.49Å; H153-Y178 AromaticContact ND1-CD1 3.53Å; H153-Y178 AromaticContact ND1-CG 3.98Å; H153-D179 PolarHBondContact CE1-N 3.06Å; H153-D179 VanDerWaalsContact CE1-N 3.29Å; H153-D179 IonicContact CE1-OD1 3.41Å; H153-D179 PolarHBondContact CE1-OD1 2.86Å; H153-D179 IonicContact CE1-OD2 3.98Å; H153-D179 PolarHBondContact ND1-N 2.91Å; H153-D179 IonicContact NE2-OD1 3.61Å
154F97Very high93.5Very high0 Ų013.9 Ų13.90%06%0.061CC..EExtended strand (participates in β ladder)trans-152.8159.3177.673.7-93.7000112.6W147 V148 I156 V176 V177 L183 A184 L187W147-F154 CarbonylContact O-C 3.51Å; W147-F154 WeakPolarHBondContact O-CA 3.26Å; W147-F154 WeakPolarHBondContact O-CB 3.33Å; V148-F154 HydrophobicContact CG2-CB 4.44Å; F154-I156 HydrophobicContact CD2-CB 4.44Å; F154-I156 HydrophobicContact CD2-CG2 4.25Å; F154-I156 HydrophobicContact CE2-CB 4.4Å; F154-I156 HydrophobicContact CE2-CG2 3.76Å; F154-V176 WeakPolarHBondContact O-CA 3.2Å; F154-V177 HydrophobicContact CD1-CB 3.76Å; F154-V177 HydrophobicContact CD1-CG1 4.18Å; F154-V177 HydrophobicContact CD1-CG2 4.39Å; F154-V177 HydrophobicContact CD2-CB 4.42Å; F154-V177 HydrophobicContact CD2-CG2 4.34Å; F154-V177 HydrophobicContact CE1-CB 3.38Å; F154-V177 HydrophobicContact CE1-CG1 3.55Å; F154-V177 HydrophobicContact CE1-CG2 3.72Å; F154-V177 HydrophobicContact CE2-CB 4.09Å; F154-V177 HydrophobicContact CE2-CG2 3.66Å; F154-V177 HydrophobicContact CG-CB 4.27Å; F154-V177 HydrophobicContact CZ-CB 3.56Å; F154-V177 HydrophobicContact CZ-CG1 4.01Å; F154-V177 HydrophobicContact CZ-CG2 3.29Å; F154-V177 PolarHBondContact N-O 3.36Å; F154-V177 PolarHBondContact O-N 3.24Å; F154-L183 HydrophobicContact CE1-CB 3.83Å; F154-L183 HydrophobicContact CE1-CD2 3.64Å; F154-L183 HydrophobicContact CE1-CG 3.56Å; F154-L183 HydrophobicContact CZ-CB 4.36Å; F154-L183 HydrophobicContact CZ-CD2 3.42Å; F154-L183 VanDerWaalsContact CZ-CD2 3.42Å; F154-L183 HydrophobicContact CZ-CG 3.58Å; F154-A184 HydrophobicContact CD1-CB 3.97Å; F154-L187 HydrophobicContact CB-CD2 3.86Å; F154-L187 HydrophobicContact CD2-CD2 3.46Å; F154-L187 VanDerWaalsContact CD2-CD2 3.46Å; F154-L187 HydrophobicContact CE2-CD2 4.15Å; F154-L187 HydrophobicContact CG-CD2 3.81Å
155Y97.4Very high93.1Very high0 Ų013.9 Ų13.90%06%0.061CC..EExtended strand (participates in β ladder)trans-118.9138.7167.6160.9-99.9000108.8V30 L49 L53 F146 W147 A159 V175 V176V30-Y155 HydrophobicContact CG2-CD2 3.99Å; V30-Y155 HydrophobicContact CG2-CE2 3.74Å; L49-Y155 HydrophobicContact CD1-CD2 4.4Å; L49-Y155 HydrophobicContact CD1-CE2 3.6Å; L53-Y155 HydrophobicContact CD2-CD1 3.9Å; L53-Y155 HydrophobicContact CD2-CD2 4.22Å; L53-Y155 HydrophobicContact CD2-CE1 4.41Å; L53-Y155 HydrophobicContact CD2-CG 3.8Å; F146-Y155 CarbonylContact C-O 3.57Å; F146-Y155 WeakPolarHBondContact CA-O 3.3Å; F146-Y155 WeakPolarHBondContact CB-O 3.48Å; W147-Y155 AromaticContact CD1-CD1 3.93Å; W147-Y155 HydrophobicContact CG-CD1 4.38Å; W147-Y155 PolarHBondContact N-O 3.42Å; W147-Y155 PolarHBondContact O-N 2.84Å; Y155-A159 VanDerWaalsContact OH-CB 3.24Å; Y155-A159 WeakPolarHBondContact OH-CB 3.19Å; Y155-A159 PolarHBondContact OH-N 3.19Å; Y155-V175 WeakPolarHBondContact CA-O 3.26Å; Y155-V175 WeakPolarHBondContact CD2-O 3.44Å; Y155-V176 HydrophobicContact CD2-CG2 3.99Å
156I96.9Very high92.5Very high0 Ų014 Ų140%06%0.061CC..EExtended strand (participates in β ladder)trans-140.9133.3168.2-172.8168.8000109.2F146 F154 G174 V175 L187 A383 L385F146-I156 HydrophobicContact CB-CB 4.16Å; F146-I156 HydrophobicContact CB-CG1 4.19Å; F154-I156 HydrophobicContact CD2-CB 4.44Å; F154-I156 HydrophobicContact CD2-CG2 4.25Å; F154-I156 HydrophobicContact CE2-CB 4.4Å; F154-I156 HydrophobicContact CE2-CG2 3.76Å; I156-G174 CarbonylContact O-C 3.41Å; I156-G174 VanDerWaalsContact O-CA 3.26Å; I156-G174 WeakPolarHBondContact O-CA 3.5Å; I156-V175 HydrophobicContact CG2-CG2 3.65Å; I156-V175 PolarHBondContact N-O 3.47Å; I156-V175 VanDerWaalsContact N-O 3.07Å; I156-V175 PolarHBondContact O-N 2.91Å; I156-L187 HydrophobicContact CD1-CD1 4.43Å; I156-A383 HydrophobicContact CD1-CB 4.1Å; I156-L385 HydrophobicContact CD1-CB 4.3Å; I156-L385 HydrophobicContact CG2-CB 4.04Å; I156-L385 HydrophobicContact CG2-CD2 3.85Å
157G94.1Very high91.4Very high0 Ų014.2 Ų14.20%06%0.063CC..EExtended strand (participates in β ladder)trans175.6-173.4-176.200000113.2S145 L173 N369S145-G157 PolarHBondContact O-N 2.93Å; G157-L173 WeakPolarHBondContact CA-O 3.38Å; G157-N369 PolarHBondContact O-ND2 3.43Å
158S92.1Very high89.8Confident4 Ų416.5 Ų16.53%0.0288%0.077CC..SBendtrans-78.5-20.7-175.559.20000114.3S160 E172 L173 H355S158-S160 PolarHBondContact O-N 3.45Å; S158-E172 WeakPolarHBondContact CB-OE2 3.39Å; S158-E172 PolarHBondContact OG-OE2 2.81Å; S158-L173 PolarHBondContact N-O 2.75Å; S158-L173 PolarHBondContact OG-N 3.13Å; S158-L173 VanDerWaalsContact OG-N 3.08Å; S158-L173 PolarHBondContact OG-O 2.66Å; S158-H355 WeakPolarHBondContact CB-O 3.32Å; S158-H355 PolarHBondContact O-CE1 3.18Å; S158-H355 PolarHBondContact O-ND1 2.91Å
159A91.3Very high88.7Confident1 Ų117 Ų171%0.0088%0.08CC..  trans-76.2123.2-17300000113.2L49 S145 Y155 E172L49-A159 HydrophobicContact CD1-CB 4.35Å; L49-A159 HydrophobicContact CD2-CB 3.21Å; L49-A159 HydrophobicContact CG-CB 4.38Å; S145-A159 PolarHBondContact OG-O 3.43Å; Y155-A159 VanDerWaalsContact OH-CB 3.24Å; Y155-A159 WeakPolarHBondContact OH-CB 3.19Å; Y155-A159 PolarHBondContact OH-N 3.19Å; A159-E172 HydrophobicContact CB-CB 3.83Å; A159-E172 HydrophobicContact CB-CG 3.83Å; A159-E172 PolarHBondContact N-OE2 3.04Å
160S91.1Very high88.1Confident12 Ų1218.3 Ų18.38%0.0849%0.087CC..  trans-86.3173.9173.5-55.40000111.6P69 S158 D162P69-S160 WeakPolarHBondContact CD-OG 3.43Å; P69-S160 WeakPolarHBondContact CG-OG 3.32Å; S158-S160 PolarHBondContact O-N 3.45Å; S160-D162 PolarHBondContact O-N 2.85Å
161M90.9Very high87.9Confident2 Ų216.8 Ų16.81%0.018%0.078CC..EExtended strand (participates in β ladder)trans-74.954.9171.9-61-60.5102.100111.7L53 I66 S68 V70 W71 L72 L73 W147L53-M161 HydrophobicContact CD1-CE 4.48Å; I66-M161 HydrophobicContact CG2-CG 4.12Å; I66-M161 HydrophobicContact CG2-SD 4.35Å; S68-M161 PolarHBondContact OG-N 3.39Å; V70-M161 WeakPolarHBondContact O-CB 3.43Å; W71-M161 WeakPolarHBondContact CA-O 3.41Å; W71-M161 HydrophobicContact CD2-CB 3.8Å; W71-M161 HydrophobicContact CD2-CG 4.04Å; W71-M161 HydrophobicContact CE3-CB 3.82Å; W71-M161 HydrophobicContact CE3-CG 4.07Å; W71-M161 HydrophobicContact CG-CB 4.28Å; W71-M161 HydrophobicContact CH2-CB 4.49Å; W71-M161 HydrophobicContact CH2-CG 3.83Å; W71-M161 HydrophobicContact CH2-SD 4.5Å; W71-M161 HydrophobicContact CZ2-CB 4.46Å; W71-M161 HydrophobicContact CZ2-CG 3.78Å; W71-M161 HydrophobicContact CZ3-CB 4.18Å; W71-M161 HydrophobicContact CZ3-CG 3.97Å; L72-M161 CarbonylContact C-O 3.53Å; L72-M161 PolarHBondContact N-O 2.72Å; L73-M161 HydrophobicContact CD2-CB 4.37Å; L73-M161 HydrophobicContact CG-CB 4.39Å; W147-M161 HydrophobicContact CZ2-CE 3.64Å; W147-M161 HydrophobicContact CZ2-SD 3.39Å; W147-M161 WeakPolarHBondContact CZ2-SD 3.39Å
162D88.1Confident87.8Confident7 Ų714.8 Ų14.84%0.0377%0.071CC..EExtended strand (participates in β ladder)trans-120.5131.5178.9-170.1-32.3000108.4L72 S160 R164 S165 L166L72-D162 CarbonylContact O-C 3.54Å; L72-D162 WeakPolarHBondContact O-CA 3.33Å; S160-D162 PolarHBondContact O-N 2.85Å; D162-R164 PolarHBondContact O-N 3.07Å; D162-R164 VanDerWaalsContact O-N 3.1Å; D162-R164 VanDerWaalsContact OD1-CB 3.3Å; D162-R164 WeakPolarHBondContact OD1-CB 2.8Å; D162-R164 WeakPolarHBondContact OD1-CG 3.39Å; D162-R164 IonicContact OD1-CZ 3.91Å; D162-R164 PolarHBondContact OD1-N 3.17Å; D162-R164 IonicContact OD1-NE 3.05Å; D162-R164 PolarHBondContact OD1-NE 3.01Å; D162-R164 IonicContact OD1-NH2 3.9Å; D162-R164 IonicContact OD2-CZ 3.15Å; D162-R164 IonicContact OD2-NE 2.88Å; D162-R164 PolarHBondContact OD2-NE 3.39Å; D162-R164 IonicContact OD2-NH2 2.65Å; D162-R164 PolarHBondContact OD2-NH2 3.43Å; D162-S165 WeakPolarHBondContact O-CB 3.38Å; D162-S165 PolarHBondContact O-N 3.21Å; D162-L166 PolarHBondContact O-N 3.01Å
163W85.1Confident87.8Confident14 Ų1410.8 Ų10.85%0.0535%0.054CC..THydrogen-bonded Turntrans-55.3-29.217571.1-93.1000111.5L72 P75 Y83 A85 S165 L166 T167 V169L72-W163 VanDerWaalsContact O-CD1 3.24Å; L72-W163 PolarHBondContact O-N 3.23Å; P75-W163 HydrophobicContact CG-CG 4.46Å; Y83-W163 HydrophobicContact CD2-CH2 4.32Å; A85-W163 HydrophobicContact CB-CE3 3.98Å; A85-W163 HydrophobicContact CB-CZ3 3.87Å; W163-S165 VanDerWaalsContact C-N 3.33Å; W163-S165 PolarHBondContact O-N 2.88Å; W163-L166 PolarHBondContact O-N 3.1Å; W163-T167 HydrophobicContact CE3-CG2 4.46Å; W163-T167 VanDerWaalsContact O-CB 3.26Å; W163-T167 WeakPolarHBondContact O-CB 3.37Å; W163-T167 WeakPolarHBondContact O-CG2 3.31Å; W163-T167 PolarHBondContact O-N 3.15Å; W163-T167 PolarHBondContact O-OG1 3.45Å; W163-V169 HydrophobicContact CH2-CG2 4.41Å; W163-V169 HydrophobicContact CZ3-CG2 4.2Å
164R84.6Confident87.8Confident80 Ų8010.4 Ų10.430%0.3025%0.052SC..THydrogen-bonded Turntrans-66.1-32.3177-65.1173.5-72.3-168.5-1.6113.2D162 L166 T167 V169 M170D162-R164 PolarHBondContact O-N 3.07Å; D162-R164 VanDerWaalsContact O-N 3.1Å; D162-R164 VanDerWaalsContact OD1-CB 3.3Å; D162-R164 WeakPolarHBondContact OD1-CB 2.8Å; D162-R164 WeakPolarHBondContact OD1-CG 3.39Å; D162-R164 IonicContact OD1-CZ 3.91Å; D162-R164 PolarHBondContact OD1-N 3.17Å; D162-R164 IonicContact OD1-NE 3.05Å; D162-R164 PolarHBondContact OD1-NE 3.01Å; D162-R164 IonicContact OD1-NH2 3.9Å; D162-R164 IonicContact OD2-CZ 3.15Å; D162-R164 IonicContact OD2-NE 2.88Å; D162-R164 PolarHBondContact OD2-NE 3.39Å; D162-R164 IonicContact OD2-NH2 2.65Å; D162-R164 PolarHBondContact OD2-NH2 3.43Å; R164-L166 VanDerWaalsContact C-N 3.33Å; R164-T167 PolarHBondContact O-OG1 3.08Å; R164-V169 HydrophobicContact CB-CB 4.04Å; R164-V169 HydrophobicContact CB-CG1 4.33Å; R164-V169 HydrophobicContact CG-CB 4.31Å; R164-V169 HydrophobicContact CG-CG1 4.46Å; R164-V169 HydrophobicContact CG-CG2 4.39Å; R164-M170 HydrophobicContact CB-CE 4.02Å; R164-M170 HydrophobicContact CB-CG 4.23Å; R164-M170 HydrophobicContact CB-SD 4.07Å; R164-M170 PolarHBondContact O-N 3.21Å; R164-M170 VanDerWaalsContact O-N 3.11Å
165S85.2Confident87.7Confident1 Ų110.4 Ų10.41%0.0075%0.052CC..THydrogen-bonded Turntrans-73.8-23.6176.1-68.80000113.1N32 D162 W163 E172N32-S165 WeakPolarHBondContact CB-O 3.48Å; N32-S165 PolarHBondContact ND2-O 3.45Å; N32-S165 VanDerWaalsContact ND2-O 3.11Å; D162-S165 WeakPolarHBondContact O-CB 3.38Å; D162-S165 PolarHBondContact O-N 3.21Å; W163-S165 VanDerWaalsContact C-N 3.33Å; W163-S165 PolarHBondContact O-N 2.88Å; S165-E172 WeakPolarHBondContact CB-OE1 3.43Å; S165-E172 WeakPolarHBondContact O-CG 3.28Å; S165-E172 PolarHBondContact OG-OE1 3.35Å
166L82.8Confident87.7Confident2 Ų210.4 Ų10.41%0.015%0.052CC..THydrogen-bonded Turntrans-91.90.2179.3-60.1177.2000113.3N32 L49 L53 L73 Q88 L92 D162 W163 R164N32-L166 PolarHBondContact OD1-O 2.72Å; L49-L166 HydrophobicContact CD2-CD2 3.71Å; L49-L166 HydrophobicContact CG-CD2 3.98Å; L53-L166 HydrophobicContact CD1-CD2 3.85Å; L73-L166 HydrophobicContact CD2-CD1 3.92Å; Q88-L166 PolarHBondContact OE1-O 2.77Å; Q88-L166 VanDerWaalsContact OE1-O 3.12Å; L92-L166 HydrophobicContact CD2-CD1 3.76Å; D162-L166 PolarHBondContact O-N 3.01Å; W163-L166 PolarHBondContact O-N 3.1Å; R164-L166 VanDerWaalsContact C-N 3.33Å
167T74.6Confident87.6Confident6 Ų610.4 Ų10.44%0.0375%0.052CC..THydrogen-bonded Turntrans-143.2-167-159.666.90000114N32 A85 Q88 W163 R164 V169N32-T167 PolarHBondContact ND2-N 2.71Å; N32-T167 VanDerWaalsContact ND2-N 3.19Å; N32-T167 PolarHBondContact ND2-O 2.94Å; A85-T167 HydrophobicContact CB-CG2 3.45Å; A85-T167 VanDerWaalsContact CB-CG2 3.45Å; A85-T167 WeakPolarHBondContact O-CG2 3.24Å; Q88-T167 HydrophobicContact CB-CG2 4.43Å; W163-T167 HydrophobicContact CE3-CG2 4.46Å; W163-T167 VanDerWaalsContact O-CB 3.26Å; W163-T167 WeakPolarHBondContact O-CB 3.37Å; W163-T167 WeakPolarHBondContact O-CG2 3.31Å; W163-T167 PolarHBondContact O-N 3.15Å; W163-T167 PolarHBondContact O-OG1 3.45Å; R164-T167 PolarHBondContact O-OG1 3.08Å; T167-V169 PolarHBondContact O-N 3.47Å
168T64.6Low87.6Confident47 Ų4711.3 Ų11.329%0.2886%0.055SC..THydrogen-bonded Turntrans-65.29.1-173.660.30000114.5P34 A35 R346P34-T168 WeakPolarHBondContact CB-O 3.43Å; A35-T168 HydrophobicContact CB-CG2 3.48Å; A35-T168 VanDerWaalsContact CB-CG2 3.48Å; T168-R346 PolarHBondContact O-NH1 3.12Å; T168-R346 PolarHBondContact O-NH2 3.44Å
169V74.1Confident87.6Confident10 Ų1013.9 Ų13.96%0.0617%0.069CC..SBendtrans-102.6-49.9-176.7-175.10000113W163 R164 T167 G352 M353W163-V169 HydrophobicContact CH2-CG2 4.41Å; W163-V169 HydrophobicContact CZ3-CG2 4.2Å; R164-V169 HydrophobicContact CB-CB 4.04Å; R164-V169 HydrophobicContact CB-CG1 4.33Å; R164-V169 HydrophobicContact CG-CB 4.31Å; R164-V169 HydrophobicContact CG-CG1 4.46Å; R164-V169 HydrophobicContact CG-CG2 4.39Å; T167-V169 PolarHBondContact O-N 3.47Å; V169-G352 VanDerWaalsContact O-CA 3.25Å; V169-G352 WeakPolarHBondContact O-CA 3.39Å; V169-M353 PolarHBondContact O-N 3.28Å
170M84.6Confident87.6Confident29 Ų2913.9 Ų13.914%0.1437%0.068CC..EExtended strand (participates in β ladder)trans-113.2130.3-173.5-60.9179.5174.900111.2N32 R164 E172 M353N32-M170 PolarHBondContact ND2-O 2.88Å; R164-M170 HydrophobicContact CB-CE 4.02Å; R164-M170 HydrophobicContact CB-CG 4.23Å; R164-M170 HydrophobicContact CB-SD 4.07Å; R164-M170 PolarHBondContact O-N 3.21Å; R164-M170 VanDerWaalsContact O-N 3.11Å; M170-E172 HydrophobicContact CB-CG 4.16Å; M170-E172 PolarHBondContact O-N 3.04Å; M170-M353 WeakPolarHBondContact CA-O 3.38Å
171K88.9Confident87.6Confident0 Ų015.8 Ų15.80%08%0.075CC..EExtended strand (participates in β ladder)trans-79.8119.5166.8176.8169.1-179.251.10108.6E31 N32 P34 M37 M353 H355 N356 R410 D411E31-K171 IonicContact OE2-NZ 2.73Å; E31-K171 PolarHBondContact OE2-NZ 2.81Å; N32-K171 WeakPolarHBondContact O-CA 3.3Å; P34-K171 HydrophobicContact CG-CB 4.3Å; M37-K171 HydrophobicContact CE-CB 4.4Å; M37-K171 HydrophobicContact SD-CD 4.22Å; K171-M353 PolarHBondContact N-O 3.14Å; K171-H355 WeakPolarHBondContact O-CA 3.03Å; K171-H355 PolarHBondContact O-N 3.2Å; K171-N356 PolarHBondContact O-OD1 3.04Å; K171-R410 VanDerWaalsContact CE-NH2 3.33Å; K171-D411 WeakPolarHBondContact CE-OD1 3.39Å; K171-D411 WeakPolarHBondContact CE-OD2 3.46Å; K171-D411 IonicContact NZ-OD2 3.69Å
172E91.6Very high87.5Confident1 Ų116.1 Ų16.11%0.0058%0.078CC..EExtended strand (participates in β ladder)trans-126.7156.9-175.6-60.3-76.9-168.700110.9E31 N32 L49 S158 A159 S165 M170 H355 N356E31-E172 VanDerWaalsContact CA-O 3.28Å; E31-E172 WeakPolarHBondContact CA-O 3.14Å; E31-E172 WeakPolarHBondContact CB-O 3.29Å; N32-E172 HydrophobicContact CB-CB 4.15Å; N32-E172 PolarHBondContact N-O 2.73Å; N32-E172 PolarHBondContact O-N 3.18Å; N32-E172 VanDerWaalsContact O-N 3.16Å; L49-E172 HydrophobicContact CD2-CB 4.33Å; S158-E172 WeakPolarHBondContact CB-OE2 3.39Å; S158-E172 PolarHBondContact OG-OE2 2.81Å; A159-E172 HydrophobicContact CB-CB 3.83Å; A159-E172 HydrophobicContact CB-CG 3.83Å; A159-E172 PolarHBondContact N-OE2 3.04Å; S165-E172 WeakPolarHBondContact CB-OE1 3.43Å; S165-E172 WeakPolarHBondContact O-CG 3.28Å; S165-E172 PolarHBondContact OG-OE1 3.35Å; M170-E172 HydrophobicContact CB-CG 4.16Å; M170-E172 PolarHBondContact O-N 3.04Å; E172-H355 IonicContact OE1-CE1 3.91Å; E172-H355 IonicContact OE1-CG 3.51Å; E172-H355 IonicContact OE1-ND1 3.07Å; E172-H355 PolarHBondContact OE1-ND1 2.87Å; E172-H355 WeakPolarHBondContact OE2-CB 3.21Å; E172-H355 IonicContact OE2-CG 3.64Å; E172-H355 IonicContact OE2-ND1 3.66Å; E172-H355 PolarHBondContact OE2-ND1 3.03Å; E172-N356 WeakPolarHBondContact CA-OD1 3.22Å
173L94.2Very high87.7Confident3 Ų315.9 Ų15.92%0.0168%0.076CC..EExtended strand (participates in β ladder)trans-146.2140.5-179-172.575.6000110.2L29 E31 G157 S158 N356 F358 L404 V407L29-L173 HydrophobicContact CD1-CD1 3.86Å; L29-L173 HydrophobicContact CD1-CG 4.25Å; L29-L173 HydrophobicContact CD2-CD1 4.04Å; L29-L173 HydrophobicContact CG-CD1 3.96Å; E31-L173 HydrophobicContact CB-CD1 3.88Å; G157-L173 WeakPolarHBondContact CA-O 3.38Å; S158-L173 PolarHBondContact N-O 2.75Å; S158-L173 PolarHBondContact OG-N 3.13Å; S158-L173 VanDerWaalsContact OG-N 3.08Å; S158-L173 PolarHBondContact OG-O 2.66Å; L173-N356 HydrophobicContact CB-CB 4.39Å; L173-N356 VanDerWaalsContact CB-OD1 3.31Å; L173-N356 WeakPolarHBondContact CB-OD1 3.19Å; L173-N356 PolarHBondContact N-OD1 2.88Å; L173-N356 VanDerWaalsContact N-OD1 3.11Å; L173-F358 HydrophobicContact CD2-CB 4.48Å; L173-F358 HydrophobicContact CD2-CD1 3.28Å; L173-F358 HydrophobicContact CD2-CE1 3.46Å; L173-F358 VanDerWaalsContact CD2-CE1 3.46Å; L173-F358 HydrophobicContact CD2-CG 3.88Å; L173-F358 HydrophobicContact CD2-CZ 4.19Å; L173-L404 HydrophobicContact CD1-CD2 4.34Å; L173-L404 HydrophobicContact CD2-CD2 3.5Å; L173-L404 VanDerWaalsContact CD2-CD2 3.5Å; L173-L404 HydrophobicContact CG-CD2 4.23Å; L173-V407 HydrophobicContact CD1-CG1 4.3Å
174G94.8Very high88.1Confident0 Ų015.2 Ų15.20%07%0.074CC..EExtended strand (participates in β ladder)trans-163.2-174.7172.100000111.2L29 V30 I156L29-G174 VanDerWaalsContact CD1-O 3.3Å; L29-G174 WeakPolarHBondContact CD1-O 3.36Å; V30-G174 WeakPolarHBondContact CG2-O 3.36Å; V30-G174 PolarHBondContact N-O 3.01Å; V30-G174 PolarHBondContact O-N 2.77Å; V30-G174 VanDerWaalsContact O-O 3.04Å; I156-G174 CarbonylContact O-C 3.41Å; I156-G174 VanDerWaalsContact O-CA 3.26Å; I156-G174 WeakPolarHBondContact O-CA 3.5Å
175V95.6Very high88.4Confident0 Ų011.9 Ų11.90%06%0.062CC..EExtended strand (participates in β ladder)trans-124.6141.1173.8-69.60000109.9I27 V28 L29 Y155 I156 V177 I367 L385I27-V175 HydrophobicContact CG2-CB 4.06Å; I27-V175 HydrophobicContact CG2-CG1 4.09Å; V28-V175 WeakPolarHBondContact O-CA 3.47Å; L29-V175 HydrophobicContact CD1-CG1 3.8Å; Y155-V175 WeakPolarHBondContact CA-O 3.26Å; Y155-V175 WeakPolarHBondContact CD2-O 3.44Å; I156-V175 HydrophobicContact CG2-CG2 3.65Å; I156-V175 PolarHBondContact N-O 3.47Å; I156-V175 VanDerWaalsContact N-O 3.07Å; I156-V175 PolarHBondContact O-N 2.91Å; V175-V177 HydrophobicContact CG2-CG2 4.32Å; V175-I367 HydrophobicContact CB-CD1 4.4Å; V175-I367 HydrophobicContact CG1-CD1 3.52Å; V175-I367 HydrophobicContact CG2-CD1 4.05Å; V175-L385 HydrophobicContact CG2-CD2 3.56Å
176V96.2Very high88.8Confident0 Ų011.8 Ų11.80%06%0.061CC..EExtended strand (participates in β ladder)trans-105.9127.1165.9-1780000107.8V28 V30 L56 F154 Y155 Y178V28-V176 PolarHBondContact N-O 3.14Å; V28-V176 PolarHBondContact O-N 3.12Å; V30-V176 HydrophobicContact CB-CG2 4.42Å; V30-V176 HydrophobicContact CG1-CB 4.36Å; V30-V176 HydrophobicContact CG1-CG2 3.62Å; V30-V176 HydrophobicContact CG2-CG2 3.9Å; L56-V176 HydrophobicContact CD1-CG1 3.95Å; L56-V176 HydrophobicContact CD1-CG2 4.48Å; L56-V176 HydrophobicContact CD2-CG1 3.68Å; L56-V176 HydrophobicContact CG-CG1 3.71Å; F154-V176 WeakPolarHBondContact O-CA 3.2Å; Y155-V176 HydrophobicContact CD2-CG2 3.99Å; V176-Y178 HydrophobicContact CB-CE2 4.26Å; V176-Y178 HydrophobicContact CG1-CD1 4.36Å; V176-Y178 HydrophobicContact CG1-CD2 4.3Å; V176-Y178 HydrophobicContact CG1-CE1 3.72Å; V176-Y178 HydrophobicContact CG1-CE2 3.64Å; V176-Y178 WeakPolarHBondContact CG1-OH 3.37Å
177V94.9Very high89.3Confident0 Ų011.7 Ų11.70%06%0.061CC..EExtended strand (participates in β ladder)trans-115.5129.4-178.5-176.80000109S26 I27 H153 F154 V175 C180S26-V177 CarbonylContact O-C 3.59Å; S26-V177 WeakPolarHBondContact O-CA 3.36Å; I27-V177 HydrophobicContact CB-CG2 4.48Å; I27-V177 HydrophobicContact CD1-CG1 4.44Å; I27-V177 HydrophobicContact CD1-CG2 4.01Å; I27-V177 HydrophobicContact CG1-CB 4.29Å; I27-V177 HydrophobicContact CG1-CG1 3.91Å; I27-V177 HydrophobicContact CG1-CG2 3.76Å; I27-V177 HydrophobicContact CG2-CG2 4.29Å; H153-V177 CarbonylContact C-O 3.57Å; H153-V177 VanDerWaalsContact CA-O 3.26Å; H153-V177 WeakPolarHBondContact CA-O 3.42Å; F154-V177 HydrophobicContact CD1-CB 3.76Å; F154-V177 HydrophobicContact CD1-CG1 4.18Å; F154-V177 HydrophobicContact CD1-CG2 4.39Å; F154-V177 HydrophobicContact CD2-CB 4.42Å; F154-V177 HydrophobicContact CD2-CG2 4.34Å; F154-V177 HydrophobicContact CE1-CB 3.38Å; F154-V177 HydrophobicContact CE1-CG1 3.55Å; F154-V177 HydrophobicContact CE1-CG2 3.72Å; F154-V177 HydrophobicContact CE2-CB 4.09Å; F154-V177 HydrophobicContact CE2-CG2 3.66Å; F154-V177 HydrophobicContact CG-CB 4.27Å; F154-V177 HydrophobicContact CZ-CB 3.56Å; F154-V177 HydrophobicContact CZ-CG1 4.01Å; F154-V177 HydrophobicContact CZ-CG2 3.29Å; F154-V177 PolarHBondContact N-O 3.36Å; F154-V177 PolarHBondContact O-N 3.24Å; V175-V177 HydrophobicContact CG2-CG2 4.32Å; V177-C180 HydrophobicContact CG1-CB 3.41Å; V177-C180 VanDerWaalsContact CG1-CB 3.41Å
178Y93.9Very high90.3Very high19 Ų1911.9 Ų11.98%0.0756%0.061CC..EExtended strand (participates in β ladder)trans-115.1147-179.7-55.5-80.9000112.2S26 V28 S55 L56 K59 H153 V176 C180S26-Y178 PolarHBondContact N-O 2.84Å; S26-Y178 PolarHBondContact O-N 2.82Å; V28-Y178 HydrophobicContact CB-CE2 4.49Å; V28-Y178 HydrophobicContact CG2-CD2 4.41Å; V28-Y178 HydrophobicContact CG2-CE2 4.02Å; S55-Y178 WeakPolarHBondContact CB-OH 3.2Å; S55-Y178 PolarHBondContact OG-OH 2.87Å; L56-Y178 HydrophobicContact CD2-CD1 4.29Å; L56-Y178 HydrophobicContact CD2-CE1 3.93Å; K59-Y178 HydrophobicContact CD-CD1 3.54Å; K59-Y178 HydrophobicContact CD-CE1 3.77Å; H153-Y178 HydrophobicContact CB-CD1 4.39Å; H153-Y178 VanDerWaalsContact ND1-CA 3.26Å; H153-Y178 WeakPolarHBondContact ND1-CA 3.27Å; H153-Y178 WeakPolarHBondContact ND1-CB 3.49Å; H153-Y178 AromaticContact ND1-CD1 3.53Å; H153-Y178 AromaticContact ND1-CG 3.98Å; V176-Y178 HydrophobicContact CB-CE2 4.26Å; V176-Y178 HydrophobicContact CG1-CD1 4.36Å; V176-Y178 HydrophobicContact CG1-CD2 4.3Å; V176-Y178 HydrophobicContact CG1-CE1 3.72Å; V176-Y178 HydrophobicContact CG1-CE2 3.64Å; V176-Y178 WeakPolarHBondContact CG1-OH 3.37Å; Y178-C180 PolarHBondContact O-N 2.82Å
179D92.2Very high91.7Very high58 Ų5811.1 Ų11.131%0.315%0.054SC..SBendtrans58.232.4172.3-60.9-66.7000113.2K152 H153K152-D179 WeakPolarHBondContact CE-OD1 3.45Å; K152-D179 IonicContact NZ-OD1 3.5Å; K152-D179 PolarHBondContact NZ-OD1 2.55Å; K152-D179 PolarHBondContact O-N 2.89Å; H153-D179 PolarHBondContact CE1-N 3.06Å; H153-D179 VanDerWaalsContact CE1-N 3.29Å; H153-D179 IonicContact CE1-OD1 3.41Å; H153-D179 PolarHBondContact CE1-OD1 2.86Å; H153-D179 IonicContact CE1-OD2 3.98Å; H153-D179 PolarHBondContact ND1-N 2.91Å; H153-D179 IonicContact NE2-OD1 3.61Å
180C91.2Very high92.7Very high0 Ų010.9 Ų10.90%05%0.052CC..  trans-119.170.4-172.9-150.10000111.6C25 K152 V177 Y178 L183 A184C25-C180 HydrophobicContact CB-CB 3.54Å; C25-C180 WeakPolarHBondContact CB-SG 3.43Å; C25-C180 WeakPolarHBondContact SG-CA 3.46Å; C25-C180 WeakPolarHBondContact SG-CB 3.2Å; C25-C180 CovalentContact SG-SG 2.05Å; C25-C180 PolarHBondContact SG-SG 2.94Å; K152-C180 CarbonylContact O-C 3.38Å; K152-C180 PolarHBondContact O-N 2.96Å; V177-C180 HydrophobicContact CG1-CB 3.41Å; V177-C180 VanDerWaalsContact CG1-CB 3.41Å; Y178-C180 PolarHBondContact O-N 2.82Å; C180-L183 PolarHBondContact O-N 3.01Å; C180-A184 WeakPolarHBondContact O-CB 3.45Å; C180-A184 PolarHBondContact O-N 2.98Å
181K90.8Very high93.2Very high53 Ų539.6 Ų9.623%0.235%0.046CC..Hα-helixtrans-54.9-47.8-175.7-168.2177.1-177.9-178.20113.7E16 L183 A184 L185E16-K181 WeakPolarHBondContact OE1-CE 3.47Å; E16-K181 IonicContact OE1-NZ 3.94Å; E16-K181 PolarHBondContact OE1-NZ 2.8Å; E16-K181 WeakPolarHBondContact OE2-CE 3.48Å; E16-K181 IonicContact OE2-NZ 3.01Å; E16-K181 PolarHBondContact OE2-NZ 2.91Å; E16-K181 VanDerWaalsContact OE2-NZ 3.14Å; K181-L183 VanDerWaalsContact C-N 3.31Å; K181-L183 PolarHBondContact O-N 2.85Å; K181-A184 PolarHBondContact O-N 2.99Å; K181-L185 HydrophobicContact CG-CD1 3.84Å; K181-L185 HydrophobicContact CG-CG 4.18Å; K181-L185 WeakPolarHBondContact O-CB 3.26Å; K181-L185 VanDerWaalsContact O-CG 3.28Å; K181-L185 WeakPolarHBondContact O-CG 3.32Å; K181-L185 PolarHBondContact O-N 3.27Å
182P89.8Confident93.4Very high9 Ų99.9 Ų9.96%0.0585%0.048CC..Hα-helixtrans-55-44.6179.5-2732.1000114.5C21 D186 F215 L223C21-P182 HydrophobicContact CB-CG 3.32Å; C21-P182 VanDerWaalsContact SG-CG 3.58Å; P182-D186 PolarHBondContact O-N 3.07Å; P182-F215 HydrophobicContact CB-CE2 3.53Å; P182-F215 HydrophobicContact CB-CZ 3.57Å; P182-F215 HydrophobicContact CG-CZ 4.43Å; P182-L223 HydrophobicContact CG-CD2 4.48Å
183L91.6Very high93.4Very high1 Ų110.2 Ų10.21%0.0055%0.05CC..Hα-helixtrans-81.2-36.8-172.4-167.462.4000110.6F154 C180 K181 D186 L187 F215 T232 I234 L385F154-L183 HydrophobicContact CE1-CB 3.83Å; F154-L183 HydrophobicContact CE1-CD2 3.64Å; F154-L183 HydrophobicContact CE1-CG 3.56Å; F154-L183 HydrophobicContact CZ-CB 4.36Å; F154-L183 HydrophobicContact CZ-CD2 3.42Å; F154-L183 VanDerWaalsContact CZ-CD2 3.42Å; F154-L183 HydrophobicContact CZ-CG 3.58Å; C180-L183 PolarHBondContact O-N 3.01Å; K181-L183 VanDerWaalsContact C-N 3.31Å; K181-L183 PolarHBondContact O-N 2.85Å; L183-D186 PolarHBondContact O-N 2.9Å; L183-L187 PolarHBondContact O-N 3.41Å; L183-F215 HydrophobicContact CD1-CD2 4.37Å; L183-T232 HydrophobicContact CD2-CG2 4.21Å; L183-I234 HydrophobicContact CD1-CD1 3.62Å; L183-I234 HydrophobicContact CD1-CG1 3.64Å; L183-I234 HydrophobicContact CG-CD1 4.07Å; L183-I234 HydrophobicContact CG-CG1 4.45Å; L183-I234 WeakPolarHBondContact O-CD1 3.39Å; L183-L385 HydrophobicContact CD1-CD1 4.3Å; L183-L385 HydrophobicContact CD2-CD1 4.09Å
184A93.6Very high93.4Very high0 Ų010.1 Ų10.10%05%0.049CC..Hα-helixtrans-63.4-41171.500000111.8V148 R151 F154 C180 K181 L187 H188V148-A184 HydrophobicContact CG1-CB 4.45Å; R151-A184 VanDerWaalsContact C-CB 3.43Å; R151-A184 VanDerWaalsContact O-CB 3.31Å; R151-A184 WeakPolarHBondContact O-CB 3.5Å; F154-A184 HydrophobicContact CD1-CB 3.97Å; C180-A184 WeakPolarHBondContact O-CB 3.45Å; C180-A184 PolarHBondContact O-N 2.98Å; K181-A184 PolarHBondContact O-N 2.99Å; A184-L187 PolarHBondContact O-N 3.18Å; A184-H188 WeakPolarHBondContact O-CB 3.22Å; A184-H188 PolarHBondContact O-N 2.91Å
185L92.2Very high93.2Very high10 Ų1012.3 Ų12.35%0.0526%0.057CC..Hα-helixtrans-65.7-38.2173.9-73.3171.5000112.4E16 R151 K181 L187 H188 K189 F214E16-L185 HydrophobicContact CB-CD1 4.18Å; E16-L185 WeakPolarHBondContact OE2-CD1 3.12Å; E16-L185 WeakPolarHBondContact OE2-CD2 3.46Å; R151-L185 HydrophobicContact CB-CD2 3.79Å; R151-L185 HydrophobicContact CB-CG 4.49Å; R151-L185 HydrophobicContact CG-CD2 4.28Å; K181-L185 HydrophobicContact CG-CD1 3.84Å; K181-L185 HydrophobicContact CG-CG 4.18Å; K181-L185 WeakPolarHBondContact O-CB 3.26Å; K181-L185 VanDerWaalsContact O-CG 3.28Å; K181-L185 WeakPolarHBondContact O-CG 3.32Å; K181-L185 PolarHBondContact O-N 3.27Å; L185-L187 VanDerWaalsContact C-N 3.3Å; L185-L187 PolarHBondContact O-N 3.48Å; L185-H188 WeakPolarHBondContact O-CB 3.05Å; L185-H188 PolarHBondContact O-N 2.97Å; L185-K189 WeakPolarHBondContact O-CG 3.43Å; L185-K189 PolarHBondContact O-N 2.83Å; L185-F214 HydrophobicContact CB-CD2 4.41Å; L185-F214 HydrophobicContact CB-CE2 3.78Å; L185-F214 HydrophobicContact CD1-CE2 4.21Å
186D92.3Very high92.9Very high0 Ų013.2 Ų13.20%07%0.067CC..Hα-helixtrans-65.4-36.8176.2-17038.1000112P182 L183 K189 P213 F214 I234 R246P182-D186 PolarHBondContact O-N 3.07Å; L183-D186 PolarHBondContact O-N 2.9Å; D186-K189 WeakPolarHBondContact O-CB 3.35Å; D186-K189 PolarHBondContact O-N 2.88Å; D186-P213 WeakPolarHBondContact OD1-CA 3.47Å; D186-P213 WeakPolarHBondContact OD1-CB 3.4Å; D186-F214 HydrophobicContact CB-CD2 4.42Å; D186-I234 HydrophobicContact CB-CD1 4.2Å; D186-R246 PolarHBondContact O-NH2 2.83Å; D186-R246 IonicContact OD1-CZ 2.78Å; D186-R246 IonicContact OD1-NH1 3.68Å; D186-R246 PolarHBondContact OD1-NH1 3.34Å; D186-R246 IonicContact OD1-NH2 2.71Å; D186-R246 PolarHBondContact OD1-NH2 3.05Å; D186-R246 IonicContact OD2-NH1 3.25Å; D186-R246 PolarHBondContact OD2-NH1 2.99Å
187L94.5Very high92.5Very high0 Ų013.2 Ų13.20%07%0.067CC..Hα-helixtrans-70.9-38.6173.2-16556.4000112.4F146 V148 F154 I156 L183 A184 L185 K189 I190 F191 I234F146-L187 HydrophobicContact CB-CD1 4.41Å; F146-L187 HydrophobicContact CB-CD2 4.02Å; F146-L187 HydrophobicContact CD1-CD1 3.96Å; F146-L187 HydrophobicContact CD2-CD1 3.79Å; F146-L187 HydrophobicContact CD2-CD2 3.69Å; F146-L187 HydrophobicContact CD2-CG 3.52Å; F146-L187 HydrophobicContact CE1-CD1 4.04Å; F146-L187 HydrophobicContact CE2-CD1 3.88Å; F146-L187 HydrophobicContact CE2-CD2 4.35Å; F146-L187 HydrophobicContact CE2-CG 3.68Å; F146-L187 HydrophobicContact CG-CD1 3.82Å; F146-L187 HydrophobicContact CG-CD2 4.01Å; F146-L187 HydrophobicContact CG-CG 4.02Å; F146-L187 HydrophobicContact CZ-CD1 4Å; F146-L187 HydrophobicContact CZ-CG 4.28Å; V148-L187 HydrophobicContact CG2-CB 4Å; V148-L187 HydrophobicContact CG2-CD2 3.95Å; V148-L187 HydrophobicContact CG2-CG 3.84Å; F154-L187 HydrophobicContact CB-CD2 3.86Å; F154-L187 HydrophobicContact CD2-CD2 3.46Å; F154-L187 VanDerWaalsContact CD2-CD2 3.46Å; F154-L187 HydrophobicContact CE2-CD2 4.15Å; F154-L187 HydrophobicContact CG-CD2 3.81Å; I156-L187 HydrophobicContact CD1-CD1 4.43Å; L183-L187 PolarHBondContact O-N 3.41Å; A184-L187 PolarHBondContact O-N 3.18Å; L185-L187 VanDerWaalsContact C-N 3.3Å; L185-L187 PolarHBondContact O-N 3.48Å; L187-K189 PolarHBondContact O-N 3.13Å; L187-I190 HydrophobicContact CD1-CD1 4.32Å; L187-I190 WeakPolarHBondContact O-CA 3.4Å; L187-I190 WeakPolarHBondContact O-CB 3.45Å; L187-I190 PolarHBondContact O-N 3.44Å; L187-F191 PolarHBondContact O-N 3.06Å; L187-I234 HydrophobicContact CB-CD1 3.67Å; L187-I234 HydrophobicContact CD1-CD1 4.12Å; L187-I234 HydrophobicContact CD1-CG2 4.23Å; L187-I234 HydrophobicContact CG-CD1 4.36Å
188H94.9Very high92Very high10 Ų1015.9 Ų15.95%0.0468%0.079CC..Hα-helixtrans-57.2-37.7171.9168.771.3000111.4E13 E65 V148 R151 A184 L185 I190 F191 S192E13-H188 IonicContact OE1-CE1 3.1Å; E13-H188 IonicContact OE2-CE1 2.99Å; E13-H188 IonicContact OE2-NE2 3.18Å; E13-H188 PolarHBondContact OE2-NE2 2.82Å; E65-H188 IonicContact OE1-CE1 2.86Å; E65-H188 PolarHBondContact OE1-CE1 3.43Å; E65-H188 IonicContact OE1-ND1 3.07Å; E65-H188 PolarHBondContact OE1-ND1 2.92Å; E65-H188 IonicContact OE2-CE1 3.15Å; E65-H188 IonicContact OE2-CG 3.27Å; E65-H188 IonicContact OE2-ND1 3.8Å; E65-H188 PolarHBondContact OE2-ND1 3.42Å; V148-H188 HydrophobicContact CG1-CB 4.3Å; R151-H188 VanDerWaalsContact CZ-CE1 3.43Å; R151-H188 PolarHBondContact NH1-NE2 3.22Å; R151-H188 PolarHBondContact NH2-CE1 3.47Å; A184-H188 WeakPolarHBondContact O-CB 3.22Å; A184-H188 PolarHBondContact O-N 2.91Å; L185-H188 WeakPolarHBondContact O-CB 3.05Å; L185-H188 PolarHBondContact O-N 2.97Å; H188-I190 VanDerWaalsContact C-N 3.28Å; H188-I190 PolarHBondContact O-N 3.03Å; H188-F191 CarbonylContact O-C 3.56Å; H188-F191 WeakPolarHBondContact O-CA 3.44Å; H188-F191 VanDerWaalsContact O-CB 3.3Å; H188-F191 WeakPolarHBondContact O-CB 3.16Å; H188-F191 PolarHBondContact O-N 3.03Å; H188-S192 PolarHBondContact CE1-OG 3.25Å; H188-S192 PolarHBondContact NE2-OG 2.71Å; H188-S192 PolarHBondContact O-N 3.48Å; H188-S192 PolarHBondContact O-OG 3.18Å
189K93.5Very high91.4Very high30 Ų3022.4 Ų22.413%0.1311%0.11CC..Hα-helixtrans-61.4-35.7174.1-70.3169.9180177.60112.4L185 D186 L187 L193 R210 L211 F212L185-K189 WeakPolarHBondContact O-CG 3.43Å; L185-K189 PolarHBondContact O-N 2.83Å; D186-K189 WeakPolarHBondContact O-CB 3.35Å; D186-K189 PolarHBondContact O-N 2.88Å; L187-K189 PolarHBondContact O-N 3.13Å; K189-L193 PolarHBondContact O-N 2.78Å; K189-R210 VanDerWaalsContact CE-O 3.26Å; K189-R210 WeakPolarHBondContact CE-O 3.07Å; K189-L211 HydrophobicContact CB-CD2 4.44Å; K189-L211 VanDerWaalsContact O-CD2 3.26Å; K189-L211 WeakPolarHBondContact O-CD2 3.35Å; K189-F212 WeakPolarHBondContact CD-O 3.1Å; K189-F212 WeakPolarHBondContact CE-O 3.07Å; K189-F212 PolarHBondContact NZ-O 2.88Å
190I94.5Very high91Very high5 Ų523.2 Ų23.23%0.02611%0.111CC..Hα-helixtrans-67.2-42.5172.4-60.4-178.3000110.3F146 L187 H188 L193 Y194 I234 A383F146-I190 HydrophobicContact CE1-CG2 3.99Å; F146-I190 HydrophobicContact CZ-CB 4.21Å; F146-I190 HydrophobicContact CZ-CG2 3.97Å; L187-I190 HydrophobicContact CD1-CD1 4.32Å; L187-I190 WeakPolarHBondContact O-CA 3.4Å; L187-I190 WeakPolarHBondContact O-CB 3.45Å; L187-I190 PolarHBondContact O-N 3.44Å; H188-I190 VanDerWaalsContact C-N 3.28Å; H188-I190 PolarHBondContact O-N 3.03Å; I190-L193 WeakPolarHBondContact O-CB 3.43Å; I190-L193 PolarHBondContact O-N 3.06Å; I190-Y194 HydrophobicContact CG2-CD2 4.3Å; I190-Y194 HydrophobicContact CG2-CE1 4.3Å; I190-Y194 HydrophobicContact CG2-CE2 3.6Å; I190-Y194 PolarHBondContact O-N 3.01Å; I190-Y194 VanDerWaalsContact O-N 3.16Å; I190-I234 HydrophobicContact CD1-CG2 3.42Å; I190-I234 VanDerWaalsContact CD1-CG2 3.42Å; I190-A383 HydrophobicContact CD1-CB 4.26Å
191F95.2Very high90.5Very high3 Ų328 Ų281%0.01314%0.14CC..Hα-helixtrans-56.7-51.3173.6175.4-94.2000111.5E65 V67 K107 F146 L187 H188 L193 Y194 W195E65-F191 HydrophobicContact CB-CD1 4.14Å; E65-F191 HydrophobicContact CB-CD2 3.92Å; E65-F191 HydrophobicContact CB-CE1 4.05Å; E65-F191 HydrophobicContact CB-CE2 3.82Å; E65-F191 HydrophobicContact CB-CG 4.09Å; E65-F191 HydrophobicContact CB-CZ 3.89Å; E65-F191 HydrophobicContact CG-CD1 4.08Å; E65-F191 HydrophobicContact CG-CE1 3.81Å; E65-F191 HydrophobicContact CG-CE2 4.46Å; E65-F191 HydrophobicContact CG-CZ 4.03Å; E65-F191 WeakPolarHBondContact OE2-CD1 3.47Å; V67-F191 HydrophobicContact CG2-CD2 3.56Å; V67-F191 HydrophobicContact CG2-CE2 4.28Å; K107-F191 HydrophobicContact CB-CE1 4.27Å; K107-F191 HydrophobicContact CB-CZ 3.67Å; K107-F191 HydrophobicContact CD-CE1 4.39Å; F146-F191 HydrophobicContact CE2-CB 4.03Å; F146-F191 HydrophobicContact CZ-CB 4.19Å; L187-F191 PolarHBondContact O-N 3.06Å; H188-F191 CarbonylContact O-C 3.56Å; H188-F191 WeakPolarHBondContact O-CA 3.44Å; H188-F191 VanDerWaalsContact O-CB 3.3Å; H188-F191 WeakPolarHBondContact O-CB 3.16Å; H188-F191 PolarHBondContact O-N 3.03Å; F191-L193 PolarHBondContact O-N 3.03Å; F191-Y194 CarbonylContact O-C 3.55Å; F191-Y194 WeakPolarHBondContact O-CA 3.35Å; F191-Y194 WeakPolarHBondContact O-CB 3.43Å; F191-Y194 PolarHBondContact O-N 3.34Å; F191-W195 HydrophobicContact CE1-CB 4.3Å; F191-W195 AromaticContact CE1-CD2 3.97Å; F191-W195 HydrophobicContact CE1-CD2 3.97Å; F191-W195 AromaticContact CE1-CE3 3.66Å; F191-W195 HydrophobicContact CE1-CE3 3.66Å; F191-W195 HydrophobicContact CE1-CG 4.29Å; F191-W195 HydrophobicContact CE1-CZ3 4.27Å; F191-W195 HydrophobicContact CE2-CE3 4.08Å; F191-W195 HydrophobicContact CE2-CZ3 4.39Å; F191-W195 HydrophobicContact CZ-CD2 4.03Å; F191-W195 AromaticContact CZ-CE3 3.24Å; F191-W195 HydrophobicContact CZ-CE3 3.24Å; F191-W195 AromaticContact CZ-CZ3 3.55Å; F191-W195 HydrophobicContact CZ-CZ3 3.55Å; F191-W195 WeakPolarHBondContact O-CB 3.44Å; F191-W195 PolarHBondContact O-N 3.14Å
192S93.6Very high90.1Very high6 Ų631 Ų314%0.04215%0.154CC..Hα-helixtrans-63.8-28.5-179-61.50000113H188 G196H188-S192 PolarHBondContact CE1-OG 3.25Å; H188-S192 PolarHBondContact NE2-OG 2.71Å; H188-S192 PolarHBondContact O-N 3.48Å; H188-S192 PolarHBondContact O-OG 3.18Å; S192-G196 PolarHBondContact O-N 3.23Å
193L92.6Very high89.7Confident7 Ų732.3 Ų32.34%0.03716%0.16CC..Hα-helixtrans-63.8-49.1169.4-175.8153.7000111K189 I190 F191 W195 L197 W207 L211 F241 T243K189-L193 PolarHBondContact O-N 2.78Å; I190-L193 WeakPolarHBondContact O-CB 3.43Å; I190-L193 PolarHBondContact O-N 3.06Å; F191-L193 PolarHBondContact O-N 3.03Å; L193-W195 VanDerWaalsContact C-N 3.34Å; L193-L197 HydrophobicContact CD2-CD1 3.83Å; L193-L197 WeakPolarHBondContact O-CG 3.45Å; L193-L197 PolarHBondContact O-N 3.33Å; L193-W207 HydrophobicContact CD1-CD2 4.15Å; L193-W207 HydrophobicContact CD1-CE3 4.19Å; L193-W207 HydrophobicContact CD1-CH2 4.11Å; L193-W207 HydrophobicContact CD1-CZ2 4.08Å; L193-W207 HydrophobicContact CD1-CZ3 4.18Å; L193-W207 HydrophobicContact CD2-CH2 3.98Å; L193-W207 HydrophobicContact CD2-CZ2 4.38Å; L193-W207 HydrophobicContact CD2-CZ3 4.44Å; L193-W207 HydrophobicContact CG-CE3 4.22Å; L193-W207 HydrophobicContact CG-CH2 3.78Å; L193-W207 HydrophobicContact CG-CZ2 4.24Å; L193-W207 HydrophobicContact CG-CZ3 3.78Å; L193-L211 HydrophobicContact CB-CD1 4.37Å; L193-L211 HydrophobicContact CB-CD2 4.34Å; L193-F241 HydrophobicContact CD1-CB 4.44Å; L193-F241 WeakPolarHBondContact CD1-O 3.04Å; L193-F241 HydrophobicContact CD2-CB 4.15Å; L193-F241 HydrophobicContact CD2-CD1 4.31Å; L193-F241 HydrophobicContact CD2-CD2 4.15Å; L193-F241 HydrophobicContact CD2-CG 3.99Å; L193-T243 HydrophobicContact CD1-CG2 4.07Å
194Y92.8Very high89.3Confident2 Ų232.8 Ų32.81%0.00816%0.163CC..Hα-helixtrans-63.9-41.4176.1-60.5-25.6000111.6V67 V132 L142 S144 F146 I190 F191 G196 L197 F241 A381V67-Y194 HydrophobicContact CG1-CD2 3.88Å; V67-Y194 HydrophobicContact CG1-CE2 3.99Å; V67-Y194 HydrophobicContact CG2-CD2 4.11Å; V132-Y194 WeakPolarHBondContact CG2-O 3.45Å; L142-Y194 HydrophobicContact CD1-CD2 4.16Å; L142-Y194 HydrophobicContact CD1-CE1 4.42Å; L142-Y194 HydrophobicContact CD1-CE2 3.89Å; S144-Y194 PolarHBondContact OG-OH 3.39Å; F146-Y194 HydrophobicContact CE1-CE2 4Å; F146-Y194 HydrophobicContact CZ-CE2 4.33Å; I190-Y194 HydrophobicContact CG2-CD2 4.3Å; I190-Y194 HydrophobicContact CG2-CE1 4.3Å; I190-Y194 HydrophobicContact CG2-CE2 3.6Å; I190-Y194 PolarHBondContact O-N 3.01Å; I190-Y194 VanDerWaalsContact O-N 3.16Å; F191-Y194 CarbonylContact O-C 3.55Å; F191-Y194 WeakPolarHBondContact O-CA 3.35Å; F191-Y194 WeakPolarHBondContact O-CB 3.43Å; F191-Y194 PolarHBondContact O-N 3.34Å; Y194-G196 PolarHBondContact O-N 2.99Å; Y194-L197 WeakPolarHBondContact O-CB 3.47Å; Y194-L197 PolarHBondContact O-N 2.78Å; Y194-L197 VanDerWaalsContact O-N 3.12Å; Y194-F241 HydrophobicContact CD1-CE2 4.46Å; Y194-F241 AromaticContact CE1-CD2 3.91Å; Y194-F241 HydrophobicContact CE1-CD2 3.91Å; Y194-F241 HydrophobicContact CE1-CE2 4.15Å; Y194-A381 HydrophobicContact CE1-CB 4.05Å
195W91.4Very high88.6Confident45 Ų4538.2 Ų38.217%0.1720%0.197CC..Hα-helixtrans-57.1-46.7178.1-165.4-100.8000112.6K107 I108 E128 H130 F191 L193 L197 Q198K107-W195 HydrophobicContact CB-CH2 3.65Å; K107-W195 HydrophobicContact CB-CZ2 4.41Å; K107-W195 HydrophobicContact CB-CZ3 3.76Å; K107-W195 HydrophobicContact CD-CH2 4.28Å; K107-W195 HydrophobicContact CD-CZ2 4.24Å; K107-W195 HydrophobicContact CG-CH2 4Å; K107-W195 HydrophobicContact CG-CZ2 4.37Å; I108-W195 WeakPolarHBondContact O-CZ3 2.91Å; E128-W195 HydrophobicContact CB-CH2 3.55Å; E128-W195 HydrophobicContact CB-CZ2 3.93Å; E128-W195 WeakPolarHBondContact O-CH2 3.39Å; E128-W195 WeakPolarHBondContact OE2-CZ2 3.33Å; H130-W195 HydrophobicContact CB-CD2 4.21Å; H130-W195 HydrophobicContact CB-CE3 3.68Å; H130-W195 HydrophobicContact CB-CH2 4.26Å; H130-W195 HydrophobicContact CB-CZ3 3.7Å; H130-W195 AromaticContact CD2-CE2 3.8Å; H130-W195 AromaticContact CD2-CH2 3.3Å; H130-W195 WeakPolarHBondContact CD2-CH2 3.41Å; H130-W195 AromaticContact CD2-CZ2 3.37Å; H130-W195 WeakPolarHBondContact CD2-CZ2 3.45Å; H130-W195 AromaticContact CD2-CZ3 3.69Å; H130-W195 AromaticContact CE1-CD1 3.84Å; H130-W195 AromaticContact CE1-CD2 3.68Å; H130-W195 AromaticContact CE1-CE2 3.13Å; H130-W195 AromaticContact CE1-CZ2 3.38Å; H130-W195 WeakPolarHBondContact CE1-CZ2 3.37Å; H130-W195 AromaticContact CE1-NE1 3.23Å; H130-W195 PolarHBondContact CE1-NE1 3.35Å; H130-W195 AromaticContact CG-CD2 3.66Å; H130-W195 AromaticContact CG-CE2 3.72Å; H130-W195 AromaticContact CG-CE3 3.56Å; H130-W195 AromaticContact CG-CH2 3.63Å; H130-W195 AromaticContact CG-CZ2 3.74Å; H130-W195 AromaticContact CG-CZ3 3.53Å; H130-W195 AromaticContact ND1-CD1 3.84Å; H130-W195 AromaticContact ND1-CD2 3.3Å; H130-W195 VanDerWaalsContact ND1-CD2 3.3Å; H130-W195 AromaticContact ND1-CE2 3.29Å; H130-W195 VanDerWaalsContact ND1-CE2 3.29Å; H130-W195 AromaticContact ND1-CE3 3.71Å; H130-W195 AromaticContact ND1-CG 3.7Å; H130-W195 AromaticContact ND1-CZ2 3.73Å; H130-W195 AromaticContact ND1-NE1 3.6Å; H130-W195 PolarHBondContact ND1-O 3.04Å; H130-W195 AromaticContact NE2-CE2 3.48Å; H130-W195 AromaticContact NE2-CH2 3.65Å; H130-W195 AromaticContact NE2-CZ2 3.17Å; H130-W195 WeakPolarHBondContact NE2-CZ2 3.46Å; H130-W195 AromaticContact NE2-NE1 3.92Å; F191-W195 HydrophobicContact CE1-CB 4.3Å; F191-W195 AromaticContact CE1-CD2 3.97Å; F191-W195 HydrophobicContact CE1-CD2 3.97Å; F191-W195 AromaticContact CE1-CE3 3.66Å; F191-W195 HydrophobicContact CE1-CE3 3.66Å; F191-W195 HydrophobicContact CE1-CG 4.29Å; F191-W195 HydrophobicContact CE1-CZ3 4.27Å; F191-W195 HydrophobicContact CE2-CE3 4.08Å; F191-W195 HydrophobicContact CE2-CZ3 4.39Å; F191-W195 HydrophobicContact CZ-CD2 4.03Å; F191-W195 AromaticContact CZ-CE3 3.24Å; F191-W195 HydrophobicContact CZ-CE3 3.24Å; F191-W195 AromaticContact CZ-CZ3 3.55Å; F191-W195 HydrophobicContact CZ-CZ3 3.55Å; F191-W195 WeakPolarHBondContact O-CB 3.44Å; F191-W195 PolarHBondContact O-N 3.14Å; L193-W195 VanDerWaalsContact C-N 3.34Å; W195-L197 PolarHBondContact O-N 3.13Å; W195-Q198 WeakPolarHBondContact O-CB 3.48Å; W195-Q198 PolarHBondContact O-N 3.4Å
196G88.6Confident87.9Confident20 Ų2044.2 Ų44.221%0.20622%0.222CC..THydrogen-bonded Turntrans-72.8-8.7179.900000114.8S192 Y194 Q198S192-G196 PolarHBondContact O-N 3.23Å; Y194-G196 PolarHBondContact O-N 2.99Å; G196-Q198 VanDerWaalsContact C-N 3.34Å
197L88.1Confident87.5Confident0 Ų045.6 Ų45.60%023%0.227CC..THydrogen-bonded Turntrans-88.60.2174.3-72.3171.3000113.4V132 L137 L193 Y194 W195 H199 K200 W207 F241V132-L197 HydrophobicContact CG1-CB 4.22Å; L137-L197 HydrophobicContact CD1-CB 4.26Å; L137-L197 HydrophobicContact CD1-CD1 4.08Å; L137-L197 HydrophobicContact CD1-CD2 4.25Å; L137-L197 HydrophobicContact CD1-CG 4.45Å; L137-L197 HydrophobicContact CD2-CD2 4.5Å; L193-L197 HydrophobicContact CD2-CD1 3.83Å; L193-L197 WeakPolarHBondContact O-CG 3.45Å; L193-L197 PolarHBondContact O-N 3.33Å; Y194-L197 WeakPolarHBondContact O-CB 3.47Å; Y194-L197 PolarHBondContact O-N 2.78Å; Y194-L197 VanDerWaalsContact O-N 3.12Å; W195-L197 PolarHBondContact O-N 3.13Å; L197-H199 PolarHBondContact O-N 3.49Å; L197-K200 HydrophobicContact CD2-CB 4.25Å; L197-K200 HydrophobicContact CD2-CG 4.44Å; L197-K200 WeakPolarHBondContact O-CB 3.45Å; L197-K200 PolarHBondContact O-N 2.88Å; L197-W207 HydrophobicContact CD1-CH2 4.18Å; L197-W207 HydrophobicContact CD2-CH2 3.99Å; L197-W207 HydrophobicContact CG-CH2 4.2Å; L197-F241 HydrophobicContact CD1-CD1 4.45Å; L197-F241 HydrophobicContact CD1-CE1 3.72Å; L197-F241 HydrophobicContact CD1-CE2 4.19Å; L197-F241 HydrophobicContact CD1-CZ 3.58Å
198Q85.2Confident87.1Confident55 Ų5546.6 Ų46.626%0.25723%0.234SC..THydrogen-bonded Turntrans-53.5129.8174.8-165.2-163.223.900110.7H130 W195 G196 K200H130-Q198 HydrophobicContact CB-CB 4.3Å; H130-Q198 HydrophobicContact CB-CG 4.09Å; H130-Q198 PolarHBondContact CD2-NE2 3.39Å; H130-Q198 VanDerWaalsContact CD2-NE2 3.28Å; H130-Q198 PolarHBondContact CE1-OE1 3.23Å; H130-Q198 VanDerWaalsContact CG-CD 3.43Å; H130-Q198 VanDerWaalsContact ND1-CD 3.28Å; H130-Q198 PolarHBondContact ND1-OE1 3.43Å; H130-Q198 VanDerWaalsContact ND1-OE1 3.15Å; H130-Q198 PolarHBondContact NE2-NE2 3.46Å; H130-Q198 PolarHBondContact NE2-OE1 3.14Å; W195-Q198 WeakPolarHBondContact O-CB 3.48Å; W195-Q198 PolarHBondContact O-N 3.4Å; G196-Q198 VanDerWaalsContact C-N 3.34Å; Q198-K200 PolarHBondContact O-N 3.46Å
199H80.9Confident86.6Confident156 Ų15654.1 Ų54.172%0.72227%0.267SS*.THydrogen-bonded Turntrans59.87.2-176.8-49.9-57.7000116.2L197L197-H199 PolarHBondContact O-N 3.49Å
200K83.8Confident86.1Confident75 Ų7557.8 Ų57.833%0.32628%0.28SS..  trans-81.5138.2174.6-60.4-64.2-175.8176.70110.1L137 L197 Q198L137-K200 HydrophobicContact CD2-CB 4.43Å; L197-K200 HydrophobicContact CD2-CB 4.25Å; L197-K200 HydrophobicContact CD2-CG 4.44Å; L197-K200 WeakPolarHBondContact O-CB 3.45Å; L197-K200 PolarHBondContact O-N 2.88Å; Q198-K200 PolarHBondContact O-N 3.46Å
201T80.9Confident85.7Confident101 Ų10157.6 Ų57.662%0.6228%0.279SS*.SBendtrans-107.6-5.1174.154.50000112.5
202F81.5Confident85.4Confident115 Ų11559.7 Ų59.750%0.50429%0.289SS..SBendtrans-139.5153.6176.565.5-89.3000110.3
203I82.9Confident85Confident37 Ų3760.4 Ų60.419%0.1929%0.293CS..  trans-89.6132.7-179.7-55173.7000108.6L137 T138 W207 V240 F241L137-I203 HydrophobicContact CB-CD1 4.36Å; L137-I203 HydrophobicContact CB-CG1 4.2Å; L137-I203 HydrophobicContact CD2-CG1 3.96Å; T138-I203 HydrophobicContact CG2-CD1 3.85Å; I203-W207 HydrophobicContact CG2-CH2 4.21Å; I203-W207 HydrophobicContact CG2-CZ2 3.61Å; I203-V240 HydrophobicContact CD1-CB 3.68Å; I203-V240 HydrophobicContact CD1-CG1 4.38Å; I203-V240 HydrophobicContact CD1-CG2 3.4Å; I203-F241 HydrophobicContact CD1-CD1 4.15Å; I203-F241 HydrophobicContact CD1-CE1 3.55Å; I203-F241 HydrophobicContact CD1-CZ 4.48Å; I203-F241 HydrophobicContact CG1-CE1 3.95Å; I203-F241 HydrophobicContact CG2-CD1 4.45Å; I203-F241 HydrophobicContact CG2-CE1 4.37Å
204P82.1Confident84.7Confident11 Ų1161.8 Ų61.87%0.07130%0.298CS..  trans-53.7147.8172-24.432.7000112.3V8 F206 W207V8-P204 HydrophobicContact CB-CG 4.49Å; V8-P204 HydrophobicContact CG2-CG 3.46Å; V8-P204 VanDerWaalsContact CG2-CG 3.46Å; P204-F206 VanDerWaalsContact C-N 3.29Å; P204-F206 WeakPolarHBondContact CB-O 3.39Å; P204-F206 PolarHBondContact O-N 3.04Å; P204-W207 HydrophobicContact CG-CH2 4.37Å; P204-W207 HydrophobicContact CG-CZ3 4.18Å
205T78.4Confident84.5Confident115 Ų11562.2 Ų62.271%0.70630%0.301SS*.SBendtrans-71.6-26.617447.30000112.7
206F79.3Confident84.4Confident135 Ų13560.6 Ų60.659%0.59230%0.296SS*.SBendtrans-136.5142.3178.7-56.4-77.9000110.5P204P204-F206 VanDerWaalsContact C-N 3.29Å; P204-F206 WeakPolarHBondContact CB-O 3.39Å; P204-F206 PolarHBondContact O-N 3.04Å
207W83.3Confident84.5Confident29 Ų2962.9 Ų62.911%0.1130%0.3CS..  trans-95145.8173.1-62.9108.3000110.4V8 L193 L197 I203 P204 L211 V240 F241 T243V8-W207 HydrophobicContact CB-CZ3 4.49Å; V8-W207 HydrophobicContact CG2-CZ3 4.27Å; L193-W207 HydrophobicContact CD1-CD2 4.15Å; L193-W207 HydrophobicContact CD1-CE3 4.19Å; L193-W207 HydrophobicContact CD1-CH2 4.11Å; L193-W207 HydrophobicContact CD1-CZ2 4.08Å; L193-W207 HydrophobicContact CD1-CZ3 4.18Å; L193-W207 HydrophobicContact CD2-CH2 3.98Å; L193-W207 HydrophobicContact CD2-CZ2 4.38Å; L193-W207 HydrophobicContact CD2-CZ3 4.44Å; L193-W207 HydrophobicContact CG-CE3 4.22Å; L193-W207 HydrophobicContact CG-CH2 3.78Å; L193-W207 HydrophobicContact CG-CZ2 4.24Å; L193-W207 HydrophobicContact CG-CZ3 3.78Å; L197-W207 HydrophobicContact CD1-CH2 4.18Å; L197-W207 HydrophobicContact CD2-CH2 3.99Å; L197-W207 HydrophobicContact CG-CH2 4.2Å; I203-W207 HydrophobicContact CG2-CH2 4.21Å; I203-W207 HydrophobicContact CG2-CZ2 3.61Å; P204-W207 HydrophobicContact CG-CH2 4.37Å; P204-W207 HydrophobicContact CG-CZ3 4.18Å; W207-L211 HydrophobicContact CB-CD1 4.32Å; W207-L211 HydrophobicContact CD2-CD1 4.44Å; W207-L211 HydrophobicContact CE3-CD1 3.72Å; W207-L211 HydrophobicContact CZ3-CD1 4.44Å; W207-V240 PolarHBondContact NE1-O 2.95Å; W207-F241 HydrophobicContact CZ2-CD1 4.07Å; W207-T243 HydrophobicContact CB-CG2 3.78Å; W207-T243 HydrophobicContact CG-CG2 3.85Å
208S85.6Confident84.5Confident21 Ų2169.2 Ų69.215%0.14733%0.33CS..  trans-59.9145.7174.4179.70000110.7R210 L211S208-R210 PolarHBondContact O-N 3.19Å; S208-R210 VanDerWaalsContact O-N 3.12Å; S208-R210 PolarHBondContact OG-N 2.56Å; S208-L211 WeakPolarHBondContact O-CB 3.07Å; S208-L211 PolarHBondContact O-N 2.84Å
209K84.2Confident84.7Confident168 Ų16871.9 Ų71.973%0.7334%0.34SS*.G310 helixtrans-58.2-24.9175.8-66.5-175.2179178.20112.6L211 F212K209-L211 PolarHBondContact O-N 3.05Å; K209-F212 HydrophobicContact CB-CD2 4.29Å; K209-F212 HydrophobicContact CB-CE2 4.16Å; K209-F212 HydrophobicContact CB-CZ 4.42Å; K209-F212 HydrophobicContact CG-CD2 4.38Å; K209-F212 HydrophobicContact CG-CE2 3.78Å; K209-F212 HydrophobicContact CG-CZ 3.98Å; K209-F212 WeakPolarHBondContact O-CB 3.44Å; K209-F212 WeakPolarHBondContact O-CG 3.26Å; K209-F212 PolarHBondContact O-N 3.24Å; K209-F212 VanDerWaalsContact O-N 3.07Å
210R84.4Confident85Confident107 Ų10766.3 Ų66.340%0.40432%0.318SS..G310 helixtrans-60.4-25.2175.9-65.5-176.6177172.8-4113.2I10 E15 K189 S208I10-R210 PolarHBondContact O-NH1 3.06Å; E15-R210 IonicContact OE1-NE 3.06Å; K189-R210 VanDerWaalsContact CE-O 3.26Å; K189-R210 WeakPolarHBondContact CE-O 3.07Å; S208-R210 PolarHBondContact O-N 3.19Å; S208-R210 VanDerWaalsContact O-N 3.12Å; S208-R210 PolarHBondContact OG-N 2.56Å
211L85.4Confident85.2Confident2 Ų262.8 Ų62.81%0.0130%0.303CS..G310 helixtrans-87.4-5.3179.2-65.6175.1000113.5I10 K189 L193 W207 S208 K209 T243I10-L211 HydrophobicContact CD1-CD1 4.18Å; I10-L211 HydrophobicContact CD1-CD2 3.41Å; I10-L211 VanDerWaalsContact CD1-CD2 3.41Å; I10-L211 HydrophobicContact CD1-CG 3.83Å; K189-L211 HydrophobicContact CB-CD2 4.44Å; K189-L211 VanDerWaalsContact O-CD2 3.26Å; K189-L211 WeakPolarHBondContact O-CD2 3.35Å; L193-L211 HydrophobicContact CB-CD1 4.37Å; L193-L211 HydrophobicContact CB-CD2 4.34Å; W207-L211 HydrophobicContact CB-CD1 4.32Å; W207-L211 HydrophobicContact CD2-CD1 4.44Å; W207-L211 HydrophobicContact CE3-CD1 3.72Å; W207-L211 HydrophobicContact CZ3-CD1 4.44Å; S208-L211 WeakPolarHBondContact O-CB 3.07Å; S208-L211 PolarHBondContact O-N 2.84Å; K209-L211 PolarHBondContact O-N 3.05Å; L211-T243 HydrophobicContact CB-CG2 3.8Å; L211-T243 PolarHBondContact O-OG1 3.22Å
212F88.1Confident85.5Confident47 Ų4760.7 Ų60.721%0.20629%0.293CS..  trans-69.4137.8-178-66.71.7000110.4K189 K209 K244K189-F212 WeakPolarHBondContact CD-O 3.1Å; K189-F212 WeakPolarHBondContact CE-O 3.07Å; K189-F212 PolarHBondContact NZ-O 2.88Å; K209-F212 HydrophobicContact CB-CD2 4.29Å; K209-F212 HydrophobicContact CB-CE2 4.16Å; K209-F212 HydrophobicContact CB-CZ 4.42Å; K209-F212 HydrophobicContact CG-CD2 4.38Å; K209-F212 HydrophobicContact CG-CE2 3.78Å; K209-F212 HydrophobicContact CG-CZ 3.98Å; K209-F212 WeakPolarHBondContact O-CB 3.44Å; K209-F212 WeakPolarHBondContact O-CG 3.26Å; K209-F212 PolarHBondContact O-N 3.24Å; K209-F212 VanDerWaalsContact O-N 3.07Å; F212-K244 HydrophobicContact CD1-CB 4.19Å; F212-K244 HydrophobicContact CD2-CB 4.39Å; F212-K244 HydrophobicContact CE1-CB 3.72Å; F212-K244 HydrophobicContact CE2-CB 3.93Å; F212-K244 HydrophobicContact CE2-CD 4.01Å; F212-K244 HydrophobicContact CE2-CG 4.49Å; F212-K244 HydrophobicContact CZ-CB 3.58Å; F212-K244 HydrophobicContact CZ-CD 4.17Å; F212-K244 HydrophobicContact CZ-CG 4.47Å
213P86.5Confident85.7Confident20 Ų2055.7 Ų55.713%0.1327%0.271CS..  trans-71.4159.2-174.434.7-39.8000111.8D186 F215 K244 D245 R246D186-P213 WeakPolarHBondContact OD1-CA 3.47Å; D186-P213 WeakPolarHBondContact OD1-CB 3.4Å; P213-F215 WeakPolarHBondContact CB-O 3.31Å; P213-K244 WeakPolarHBondContact CD-O 3.37Å; P213-D245 HydrophobicContact CG-CB 4.47Å; P213-R246 HydrophobicContact CB-CB 4.46Å; P213-R246 HydrophobicContact CG-CB 3.85Å
214F84.8Confident85.8Confident36 Ų3657 Ų5716%0.15828%0.278CS..SBendtrans-82.1-34.7167.8-65.7-69.8000112.1E18 L185 D186E18-F214 HydrophobicContact CB-CD1 4.26Å; E18-F214 HydrophobicContact CB-CE1 4.43Å; L185-F214 HydrophobicContact CB-CD2 4.41Å; L185-F214 HydrophobicContact CB-CE2 3.78Å; L185-F214 HydrophobicContact CD1-CE2 4.21Å; D186-F214 HydrophobicContact CB-CD2 4.42Å
215F88.6Confident85.8Confident12 Ų1256.7 Ų56.75%0.05328%0.276CS..  trans-123.4143.1-175.6-51.9-46.2000110.9P182 L183 P213 K219 L223P182-F215 HydrophobicContact CB-CE2 3.53Å; P182-F215 HydrophobicContact CB-CZ 3.57Å; P182-F215 HydrophobicContact CG-CZ 4.43Å; L183-F215 HydrophobicContact CD1-CD2 4.37Å; P213-F215 WeakPolarHBondContact CB-O 3.31Å; F215-K219 WeakPolarHBondContact CA-O 3.26Å; F215-L223 HydrophobicContact CE2-CD1 4.39Å; F215-L223 HydrophobicContact CZ-CD2 4.41Å
216S90.3Very high86.1Confident10 Ų1054 Ų547%0.0726%0.258CS..  trans-139.9177.4174.8820000110.1E218 K219 P220 D245S216-E218 PolarHBondContact O-N 3.03Å; S216-E218 PolarHBondContact OG-N 3.21Å; S216-E218 VanDerWaalsContact OG-N 3.13Å; S216-E218 PolarHBondContact OG-OE2 3.33Å; S216-K219 PolarHBondContact N-O 3Å; S216-K219 CarbonylContact O-C 3.57Å; S216-K219 PolarHBondContact O-N 2.83Å; S216-K219 PolarHBondContact OG-N 2.86Å; S216-P220 WeakPolarHBondContact O-CA 3.37Å; S216-D245 WeakPolarHBondContact CB-O 3.39Å
217K89.4Confident86.1Confident68 Ų6854.7 Ų54.730%0.29626%0.262SS..SBendtrans-55.5-39.1169.6175.1-173.9169.11760112.4Y233 S247 E251 A255K217-Y233 HydrophobicContact CB-CE2 4.3Å; K217-S247 VanDerWaalsContact CB-OG 3.24Å; K217-S247 WeakPolarHBondContact CB-OG 3.46Å; K217-S247 PolarHBondContact N-OG 3.2Å; K217-E251 HydrophobicContact CD-CB 4.41Å; K217-A255 HydrophobicContact CD-CB 3.9Å; K217-A255 HydrophobicContact CG-CB 4.17Å
218E88.3Confident86.1Confident133 Ų13353.8 Ų53.862%0.62126%0.26SS*.SBendtrans-78.3-33.9-177.9-60.868.3-146.900112.1S216S216-E218 PolarHBondContact O-N 3.03Å; S216-E218 PolarHBondContact OG-N 3.21Å; S216-E218 VanDerWaalsContact OG-N 3.13Å; S216-E218 PolarHBondContact OG-OE2 3.33Å
219K89.4Confident86.1Confident111 Ų11158.2 Ų58.248%0.48328%0.277SS..SBendtrans-126.176.7174.8-170.8-167.3170.8-157.40109.3E18 F215 S216E18-K219 IonicContact OE1-NZ 2.91Å; E18-K219 PolarHBondContact OE1-NZ 3.49Å; E18-K219 IonicContact OE2-NZ 3.01Å; E18-K219 PolarHBondContact OE2-NZ 3.44Å; F215-K219 WeakPolarHBondContact CA-O 3.26Å; S216-K219 PolarHBondContact N-O 3Å; S216-K219 CarbonylContact O-C 3.57Å; S216-K219 PolarHBondContact O-N 2.83Å; S216-K219 PolarHBondContact OG-N 2.86Å
220P88.6Confident86.4Confident39 Ų3950.5 Ų50.525%0.25324%0.244SC..  trans-69145.4178.928-34000110.7S216 S222 E231 Y233S216-P220 WeakPolarHBondContact O-CA 3.37Å; P220-S222 PolarHBondContact O-N 3.24Å; P220-E231 HydrophobicContact CB-CB 4.04Å; P220-E231 HydrophobicContact CB-CG 4.4Å; P220-E231 HydrophobicContact CG-CB 4.38Å; P220-E231 HydrophobicContact CG-CG 4.29Å; P220-Y233 HydrophobicContact CB-CD1 4.23Å
221G86.4Confident86.7Confident1 Ų148.4 Ų48.41%0.0124%0.238CC..EExtended strand (participates in β ladder)trans-74118.6177.700000111L223 E231 T232G221-L223 PolarHBondContact O-N 2.9Å; G221-E231 CarbonylContact O-C 3.45Å; G221-E231 WeakPolarHBondContact O-CA 3.38Å; G221-T232 WeakPolarHBondContact CA-O 3.21Å; G221-T232 PolarHBondContact N-O 3.41Å; G221-T232 PolarHBondContact O-N 3.42Å
222S87.8Confident87Confident58 Ų5848.3 Ų48.341%0.40624%0.238SC..EExtended strand (participates in β ladder)trans-87.9103.8175.8-159.20000109.9P220 K229 V230P220-S222 PolarHBondContact O-N 3.24Å; S222-K229 WeakPolarHBondContact OG-CE 3.43Å; S222-V230 WeakPolarHBondContact CA-O 3.48Å
223L86.2Confident87.3Confident9 Ų946.4 Ų46.45%0.04723%0.23CC..EExtended strand (participates in β ladder)trans-119.7152.4-174.8-58.4178.9000110.7P182 F215 G221 V225 V230 T232P182-L223 HydrophobicContact CG-CD2 4.48Å; F215-L223 HydrophobicContact CE2-CD1 4.39Å; F215-L223 HydrophobicContact CZ-CD2 4.41Å; G221-L223 PolarHBondContact O-N 2.9Å; L223-V225 HydrophobicContact CB-CG2 4.42Å; L223-V230 PolarHBondContact N-O 3.41Å; L223-V230 PolarHBondContact O-N 3.14Å; L223-T232 HydrophobicContact CB-CG2 4.48Å; L223-T232 HydrophobicContact CD1-CG2 3.51Å; L223-T232 HydrophobicContact CG-CG2 4.06Å
224L85.3Confident87.7Confident66 Ų6645.4 Ų45.435%0.34622%0.223SC..EExtended strand (participates in β ladder)trans-93103.7170.4-167.675.3000107.8S23 N24 C25 T228S23-L224 WeakPolarHBondContact O-CA 3.35Å; S23-L224 WeakPolarHBondContact O-CB 3.35Å; S23-L224 PolarHBondContact O-N 3.25Å; N24-L224 WeakPolarHBondContact CA-O 3.46Å; C25-L224 PolarHBondContact N-O 3.5Å; L224-T228 CarbonylContact C-O 3.48Å
225V82.6Confident88.2Confident3 Ų343.7 Ų43.72%0.01822%0.216CC..EExtended strand (participates in β ladder)trans-106121.9179.9169.50000109.6C25 I27 L223 Q227 T228 V230C25-V225 HydrophobicContact CB-CG2 4.13Å; C25-V225 VanDerWaalsContact O-CA 3.31Å; C25-V225 WeakPolarHBondContact O-CA 3.49Å; I27-V225 HydrophobicContact CB-CG1 3.71Å; I27-V225 HydrophobicContact CD1-CB 4.4Å; I27-V225 HydrophobicContact CD1-CG1 3.67Å; I27-V225 HydrophobicContact CD1-CG2 3.81Å; I27-V225 HydrophobicContact CG1-CB 4.49Å; I27-V225 HydrophobicContact CG1-CG1 3.48Å; I27-V225 VanDerWaalsContact CG1-CG1 3.48Å; I27-V225 HydrophobicContact CG1-CG2 4.17Å; L223-V225 HydrophobicContact CB-CG2 4.42Å; V225-Q227 PolarHBondContact O-N 2.92Å; V225-Q227 VanDerWaalsContact O-N 3.14Å; V225-T228 PolarHBondContact N-O 3.35Å; V225-T228 WeakPolarHBondContact O-CA 3.3Å; V225-T228 PolarHBondContact O-N 3.44Å; V225-T228 VanDerWaalsContact O-O 3.1Å; V225-T228 PolarHBondContact O-OG1 3.07Å; V225-V230 HydrophobicContact CB-CG2 3.75Å; V225-V230 HydrophobicContact CG2-CG2 3.41Å; V225-V230 VanDerWaalsContact CG2-CG2 3.41Å
226N83.1Confident88.5Confident60 Ų6043.3 Ų43.332%0.32122%0.215SC..THydrogen-bonded Turntrans48.241.9-178.6-62.5-21.5000112.1C25 S26 I27 T228C25-N226 PolarHBondContact O-N 3.42Å; S26-N226 VanDerWaalsContact CA-OD1 3.28Å; S26-N226 WeakPolarHBondContact CA-OD1 3.32Å; S26-N226 PolarHBondContact OG-OD1 3.36Å; I27-N226 PolarHBondContact N-OD1 3.45Å; I27-N226 PolarHBondContact O-ND2 3.32Å; N226-T228 PolarHBondContact O-N 3.08Å
227Q79.9Confident88.6Confident148 Ų14843 Ų4369%0.69221%0.212SC*.THydrogen-bonded Turntrans68.44.5-175.9-50.7173.6-16.800115.8V225V225-Q227 PolarHBondContact O-N 2.92Å; V225-Q227 VanDerWaalsContact O-N 3.14Å
228T82.8Confident88.7Confident11 Ų1139.8 Ų39.87%0.06720%0.199CC..EExtended strand (participates in β ladder)trans-106.7137.1175.260.60000111L224 V225 N226 V230 N397L224-T228 CarbonylContact C-O 3.48Å; V225-T228 PolarHBondContact N-O 3.35Å; V225-T228 WeakPolarHBondContact O-CA 3.3Å; V225-T228 PolarHBondContact O-N 3.44Å; V225-T228 VanDerWaalsContact O-O 3.1Å; V225-T228 PolarHBondContact O-OG1 3.07Å; N226-T228 PolarHBondContact O-N 3.08Å; T228-V230 PolarHBondContact O-N 2.92Å; T228-N397 HydrophobicContact CG2-CB 4.22Å
229K86.4Confident88.6Confident114 Ų11441 Ų4150%0.49620%0.204SC..EExtended strand (participates in β ladder)trans-79.3122.2177.9-170.4173.9-179177.10110S222 P390S222-K229 WeakPolarHBondContact OG-CE 3.43Å; K229-P390 HydrophobicContact CB-CG 4.5Å; K229-P390 HydrophobicContact CG-CG 4.2Å; K229-P390 WeakPolarHBondContact O-CD 3.35Å; K229-P390 WeakPolarHBondContact O-CG 3.42Å
230V89.3Confident88.5Confident5 Ų538.8 Ų38.83%0.0320%0.2CC..EExtended strand (participates in β ladder)trans-130.3156.8179-58.70000111.1S222 L223 V225 T228 I387S222-V230 WeakPolarHBondContact CA-O 3.48Å; L223-V230 PolarHBondContact N-O 3.41Å; L223-V230 PolarHBondContact O-N 3.14Å; V225-V230 HydrophobicContact CB-CG2 3.75Å; V225-V230 HydrophobicContact CG2-CG2 3.41Å; V225-V230 VanDerWaalsContact CG2-CG2 3.41Å; T228-V230 PolarHBondContact O-N 2.92Å; V230-I387 HydrophobicContact CB-CG2 4.1Å; V230-I387 HydrophobicContact CG1-CG2 4.29Å; V230-I387 HydrophobicContact CG2-CG2 4.28Å
231E91.3Very high88.4Confident63 Ų6337.1 Ų37.129%0.29419%0.188SC..EExtended strand (participates in β ladder)trans-103.3130.4170.1-77.4174.6174.700108.6P220 G221 I387 S388P220-E231 HydrophobicContact CB-CB 4.04Å; P220-E231 HydrophobicContact CB-CG 4.4Å; P220-E231 HydrophobicContact CG-CB 4.38Å; P220-E231 HydrophobicContact CG-CG 4.29Å; G221-E231 CarbonylContact O-C 3.45Å; G221-E231 WeakPolarHBondContact O-CA 3.38Å; E231-I387 CarbonylContact O-C 3.56Å; E231-I387 WeakPolarHBondContact O-CA 3.23Å; E231-S388 WeakPolarHBondContact CB-OG 3.33Å; E231-S388 PolarHBondContact N-O 3.05Å; E231-S388 PolarHBondContact O-N 2.65Å; E231-S388 PolarHBondContact O-OG 2.81Å
232T92.4Very high88.4Confident1 Ų138.6 Ų38.61%0.00620%0.196CC..EExtended strand (participates in β ladder)trans-145.1148.9-175.6179.70000112.6L183 G221 L223 L385 V386L183-T232 HydrophobicContact CD2-CG2 4.21Å; G221-T232 WeakPolarHBondContact CA-O 3.21Å; G221-T232 PolarHBondContact N-O 3.41Å; G221-T232 PolarHBondContact O-N 3.42Å; L223-T232 HydrophobicContact CB-CG2 4.48Å; L223-T232 HydrophobicContact CD1-CG2 3.51Å; L223-T232 HydrophobicContact CG-CG2 4.06Å; T232-L385 WeakPolarHBondContact OG1-CD1 3.26Å; T232-V386 WeakPolarHBondContact CA-O 3.24Å; T232-V386 WeakPolarHBondContact CB-O 3.29Å; T232-V386 PolarHBondContact OG1-O 3.03Å
233Y94.4Very high88.3Confident6 Ų636 Ų362%0.02418%0.177CC..EExtended strand (participates in β ladder)trans-158.7161.817362.7-88.2000110.8K217 P220 A252 V386K217-Y233 HydrophobicContact CB-CE2 4.3Å; P220-Y233 HydrophobicContact CB-CD1 4.23Å; Y233-A252 HydrophobicContact CE2-CB 3.91Å; Y233-V386 HydrophobicContact CD1-CB 4.11Å; Y233-V386 HydrophobicContact CD1-CG1 4.34Å; Y233-V386 HydrophobicContact CD2-CB 4.47Å; Y233-V386 HydrophobicContact CE1-CB 3.67Å; Y233-V386 HydrophobicContact CE1-CG1 3.61Å; Y233-V386 HydrophobicContact CE1-CG2 4.21Å; Y233-V386 HydrophobicContact CE2-CB 4.06Å; Y233-V386 HydrophobicContact CE2-CG2 3.87Å; Y233-V386 HydrophobicContact CG-CB 4.49Å; Y233-V386 PolarHBondContact N-O 3.14Å; Y233-V386 PolarHBondContact O-N 2.85Å
234I95.2Very high88.2Confident0 Ų042 Ų420%020%0.203CC..EExtended strand (participates in β ladder)trans-106.8132.6178.7-62.5168.2000109.6L183 D186 L187 I190 G384 L385L183-I234 HydrophobicContact CD1-CD1 3.62Å; L183-I234 HydrophobicContact CD1-CG1 3.64Å; L183-I234 HydrophobicContact CG-CD1 4.07Å; L183-I234 HydrophobicContact CG-CG1 4.45Å; L183-I234 WeakPolarHBondContact O-CD1 3.39Å; D186-I234 HydrophobicContact CB-CD1 4.2Å; L187-I234 HydrophobicContact CB-CD1 3.67Å; L187-I234 HydrophobicContact CD1-CD1 4.12Å; L187-I234 HydrophobicContact CD1-CG2 4.23Å; L187-I234 HydrophobicContact CG-CD1 4.36Å; I190-I234 HydrophobicContact CD1-CG2 3.42Å; I190-I234 VanDerWaalsContact CD1-CG2 3.42Å; I234-G384 CarbonylContact C-O 3.59Å; I234-G384 VanDerWaalsContact CA-O 3.26Å; I234-G384 WeakPolarHBondContact CA-O 3.42Å; I234-G384 WeakPolarHBondContact CG2-O 3.37Å; I234-L385 HydrophobicContact CG1-CD1 4.1Å
235S94.9Very high88.2Confident0 Ų043.6 Ų43.60%021%0.212CC..EExtended strand (participates in β ladder)trans-104.5159.7173.957.50000111.8S247 D249 A383 G384S235-S247 VanDerWaalsContact CA-O 3.27Å; S235-S247 WeakPolarHBondContact CA-O 3.17Å; S235-S247 WeakPolarHBondContact CB-O 3.28Å; S235-D249 WeakPolarHBondContact CB-OD1 3.48Å; S235-D249 PolarHBondContact OG-OD1 2.95Å; S235-A383 WeakPolarHBondContact O-CA 3.39Å; S235-G384 PolarHBondContact N-O 3.18Å; S235-G384 PolarHBondContact O-N 2.97Å; S235-G384 WeakPolarHBondContact OG-CA 3.4Å; S235-G384 PolarHBondContact OG-O 2.88Å
236S94.3Very high88.6Confident4 Ų444 Ų443%0.02821%0.213CC..EExtended strand (participates in β ladder)trans-143.1151.3177.965.40000112.5R246 S247 S248 D249 G382S236-R246 WeakPolarHBondContact OG-CD 3.26Å; S236-S247 PolarHBondContact N-O 3.13Å; S236-S248 WeakPolarHBondContact O-CA 3.06Å; S236-D249 PolarHBondContact O-N 2.94Å; S236-G382 WeakPolarHBondContact CA-O 3.4Å
237S92.6Very high89.1Confident3 Ų341.2 Ų41.22%0.02120%0.198CC..EExtended strand (participates in β ladder)trans-132.1161.5168.9-63.90000110D249 N380 A381 G382S237-D249 WeakPolarHBondContact CB-OD2 3.35Å; S237-D249 PolarHBondContact N-OD2 2.89Å; S237-D249 VanDerWaalsContact OG-CB 3.32Å; S237-D249 WeakPolarHBondContact OG-CB 2.99Å; S237-D249 VanDerWaalsContact OG-CG 3.27Å; S237-D249 PolarHBondContact OG-OD2 3.16Å; S237-N380 CarbonylContact C-O 3.48Å; S237-A381 VanDerWaalsContact O-CA 3.28Å; S237-A381 WeakPolarHBondContact O-CA 3.48Å; S237-G382 PolarHBondContact N-O 3.27Å; S237-G382 PolarHBondContact O-N 3.34Å
238P91.3Very high89.8Confident1 Ų135 Ų351%0.00617%0.171CC..SBendcis-82.7176.4-433.8-34000113T138 V240 F241 F377 N378 N380T138-P238 HydrophobicContact CG2-CG 4.06Å; P238-V240 HydrophobicContact CB-CG2 4.38Å; P238-V240 HydrophobicContact CG-CG2 3.69Å; P238-V240 PolarHBondContact O-N 2.92Å; P238-F241 HydrophobicContact CG-CD2 4.36Å; P238-F241 HydrophobicContact CG-CG 4.44Å; P238-F241 PolarHBondContact O-N 3.37Å; P238-F377 WeakPolarHBondContact CA-O 3.48Å; P238-F377 WeakPolarHBondContact CB-O 3.24Å; P238-N378 VanDerWaalsContact CB-O 3.25Å; P238-N378 WeakPolarHBondContact CB-O 3.24Å; P238-N380 VanDerWaalsContact CD-O 3.32Å; P238-N380 WeakPolarHBondContact CD-O 3.25Å
239H86.4Confident90.3Very high157 Ų15734.5 Ų34.573%0.72717%0.168SC*.G310 helixtrans-50.4-33.7-177.1-177.9-77.1000114.4F241 I242H239-F241 PolarHBondContact O-N 2.96Å; H239-I242 WeakPolarHBondContact O-CB 3.36Å; H239-I242 PolarHBondContact O-N 3.23Å
240V86.7Confident90.6Very high66 Ų6631 Ų3140%0.416%0.155SC..G310 helixtrans-68.5-19.8178.9-67.10000113.8T138 I203 W207 P238T138-V240 HydrophobicContact CG2-CG2 3.74Å; I203-V240 HydrophobicContact CD1-CB 3.68Å; I203-V240 HydrophobicContact CD1-CG1 4.38Å; I203-V240 HydrophobicContact CD1-CG2 3.4Å; W207-V240 PolarHBondContact NE1-O 2.95Å; P238-V240 HydrophobicContact CB-CG2 4.38Å; P238-V240 HydrophobicContact CG-CG2 3.69Å; P238-V240 PolarHBondContact O-N 2.92Å
241F87.8Confident90.8Very high3 Ų334.9 Ų34.91%0.01317%0.172CC..G310 helixtrans-97.92.1176.2-67.6-6.1000113M134 L137 T138 L193 Y194 L197 I203 W207 P238 H239 T243 A381M134-F241 HydrophobicContact CE-CD2 4.43Å; M134-F241 HydrophobicContact CE-CE2 3.37Å; M134-F241 HydrophobicContact CE-CZ 3.58Å; M134-F241 HydrophobicContact SD-CE2 3.47Å; M134-F241 WeakPolarHBondContact SD-CE2 3.33Å; M134-F241 HydrophobicContact SD-CZ 3.56Å; M134-F241 VanDerWaalsContact SD-CZ 3.56Å; L137-F241 HydrophobicContact CD1-CZ 4.24Å; T138-F241 HydrophobicContact CG2-CE1 4.43Å; T138-F241 HydrophobicContact CG2-CZ 4.31Å; L193-F241 HydrophobicContact CD1-CB 4.44Å; L193-F241 WeakPolarHBondContact CD1-O 3.04Å; L193-F241 HydrophobicContact CD2-CB 4.15Å; L193-F241 HydrophobicContact CD2-CD1 4.31Å; L193-F241 HydrophobicContact CD2-CD2 4.15Å; L193-F241 HydrophobicContact CD2-CG 3.99Å; Y194-F241 HydrophobicContact CD1-CE2 4.46Å; Y194-F241 AromaticContact CE1-CD2 3.91Å; Y194-F241 HydrophobicContact CE1-CD2 3.91Å; Y194-F241 HydrophobicContact CE1-CE2 4.15Å; L197-F241 HydrophobicContact CD1-CD1 4.45Å; L197-F241 HydrophobicContact CD1-CE1 3.72Å; L197-F241 HydrophobicContact CD1-CE2 4.19Å; L197-F241 HydrophobicContact CD1-CZ 3.58Å; I203-F241 HydrophobicContact CD1-CD1 4.15Å; I203-F241 HydrophobicContact CD1-CE1 3.55Å; I203-F241 HydrophobicContact CD1-CZ 4.48Å; I203-F241 HydrophobicContact CG1-CE1 3.95Å; I203-F241 HydrophobicContact CG2-CD1 4.45Å; I203-F241 HydrophobicContact CG2-CE1 4.37Å; W207-F241 HydrophobicContact CZ2-CD1 4.07Å; P238-F241 HydrophobicContact CG-CD2 4.36Å; P238-F241 HydrophobicContact CG-CG 4.44Å; P238-F241 PolarHBondContact O-N 3.37Å; H239-F241 PolarHBondContact O-N 2.96Å; F241-T243 PolarHBondContact O-N 3.04Å; F241-A381 HydrophobicContact CD2-CB 3.97Å; F241-A381 HydrophobicContact CE2-CB 3.78Å
242I86.8Confident91Very high32 Ų3231.9 Ų31.916%0.16416%0.158CC..  trans-81111.4178.2-59.4-176.1000108.2H239 R246H239-I242 WeakPolarHBondContact O-CB 3.36Å; H239-I242 PolarHBondContact O-N 3.23Å; I242-R246 HydrophobicContact CG2-CB 4.11Å; I242-R246 WeakPolarHBondContact CG2-O 3.27Å
243T85.6Confident91.1Very high4 Ų431.8 Ų31.83%0.02516%0.158CC..  trans-69.1162.8170.560.50000110.8L193 W207 L211 F241 D245 R246L193-T243 HydrophobicContact CD1-CG2 4.07Å; W207-T243 HydrophobicContact CB-CG2 3.78Å; W207-T243 HydrophobicContact CG-CG2 3.85Å; L211-T243 HydrophobicContact CB-CG2 3.8Å; L211-T243 PolarHBondContact O-OG1 3.22Å; F241-T243 PolarHBondContact O-N 3.04Å; T243-D245 PolarHBondContact O-N 2.68Å; T243-R246 PolarHBondContact O-N 3.1Å; T243-R246 VanDerWaalsContact O-N 3.11Å
244K83.6Confident91.2Very high136 Ų13632.6 Ų32.659%0.59116%0.164SC*.THydrogen-bonded Turntrans-51.2135.9172.2-166-176.3170.9-177.40109.9F212 P213 R246F212-K244 HydrophobicContact CD1-CB 4.19Å; F212-K244 HydrophobicContact CD2-CB 4.39Å; F212-K244 HydrophobicContact CE1-CB 3.72Å; F212-K244 HydrophobicContact CE2-CB 3.93Å; F212-K244 HydrophobicContact CE2-CD 4.01Å; F212-K244 HydrophobicContact CE2-CG 4.49Å; F212-K244 HydrophobicContact CZ-CB 3.58Å; F212-K244 HydrophobicContact CZ-CD 4.17Å; F212-K244 HydrophobicContact CZ-CG 4.47Å; P213-K244 WeakPolarHBondContact CD-O 3.37Å; K244-R246 PolarHBondContact O-N 3.28Å
245D85.7Confident91.1Very high99 Ų9932.7 Ų32.753%0.52917%0.165SC..THydrogen-bonded Turntrans68.20.2178.7-47.4-41000115.9P213 S216 T243P213-D245 HydrophobicContact CG-CB 4.47Å; S216-D245 WeakPolarHBondContact CB-O 3.39Å; T243-D245 PolarHBondContact O-N 2.68Å
246R91Very high91.2Very high12 Ų1232.7 Ų32.75%0.04517%0.165CC..PPolyproline II helixtrans-83.2137.5172.1-172.2173.2-66.5-843.1110.9D186 P213 S236 I242 T243 K244D186-R246 PolarHBondContact O-NH2 2.83Å; D186-R246 IonicContact OD1-CZ 2.78Å; D186-R246 IonicContact OD1-NH1 3.68Å; D186-R246 PolarHBondContact OD1-NH1 3.34Å; D186-R246 IonicContact OD1-NH2 2.71Å; D186-R246 PolarHBondContact OD1-NH2 3.05Å; D186-R246 IonicContact OD2-NH1 3.25Å; D186-R246 PolarHBondContact OD2-NH1 2.99Å; P213-R246 HydrophobicContact CB-CB 4.46Å; P213-R246 HydrophobicContact CG-CB 3.85Å; S236-R246 WeakPolarHBondContact OG-CD 3.26Å; I242-R246 HydrophobicContact CG2-CB 4.11Å; I242-R246 WeakPolarHBondContact CG2-O 3.27Å; T243-R246 PolarHBondContact O-N 3.1Å; T243-R246 VanDerWaalsContact O-N 3.11Å; K244-R246 PolarHBondContact O-N 3.28Å
247S93.5Very high91.2Very high1 Ų132.5 Ų32.51%0.00716%0.164CC..PPolyproline II helixtrans-81.4138.2177.1-55.50000111.3K217 S235 S236K217-S247 VanDerWaalsContact CB-OG 3.24Å; K217-S247 WeakPolarHBondContact CB-OG 3.46Å; K217-S247 PolarHBondContact N-OG 3.2Å; S235-S247 VanDerWaalsContact CA-O 3.27Å; S235-S247 WeakPolarHBondContact CA-O 3.17Å; S235-S247 WeakPolarHBondContact CB-O 3.28Å; S236-S247 PolarHBondContact N-O 3.13Å
248S94.1Very high91.3Very high17 Ų1737.1 Ų37.112%0.11919%0.185CC..BIsolated β-bridgetrans-69.5154.5170.262.60000111.5S236 L250 E251 A252S236-S248 WeakPolarHBondContact O-CA 3.06Å; S248-L250 PolarHBondContact O-N 3.2Å; S248-E251 WeakPolarHBondContact CB-OE2 3.37Å; S248-E251 PolarHBondContact N-OE2 3.22Å; S248-E251 PolarHBondContact O-N 3.01Å; S248-E251 VanDerWaalsContact O-N 3.16Å; S248-E251 VanDerWaalsContact OG-CB 3.26Å; S248-E251 WeakPolarHBondContact OG-CB 3.34Å; S248-E251 WeakPolarHBondContact OG-CG 3.49Å; S248-E251 PolarHBondContact OG-N 2.75Å; S248-E251 PolarHBondContact OG-OE2 2.91Å; S248-A252 WeakPolarHBondContact O-CB 3.45Å; S248-A252 PolarHBondContact O-N 2.79Å
249D93.4Very high91.3Very high0 Ų040.7 Ų40.70%020%0.202CC..Hα-helixtrans-59-32.3171.5-64.9-44.3000111.3S235 S236 S237 A252 I253 Y366 F377 G384S235-D249 WeakPolarHBondContact CB-OD1 3.48Å; S235-D249 PolarHBondContact OG-OD1 2.95Å; S236-D249 PolarHBondContact O-N 2.94Å; S237-D249 WeakPolarHBondContact CB-OD2 3.35Å; S237-D249 PolarHBondContact N-OD2 2.89Å; S237-D249 VanDerWaalsContact OG-CB 3.32Å; S237-D249 WeakPolarHBondContact OG-CB 2.99Å; S237-D249 VanDerWaalsContact OG-CG 3.27Å; S237-D249 PolarHBondContact OG-OD2 3.16Å; D249-A252 PolarHBondContact O-N 2.86Å; D249-I253 WeakPolarHBondContact O-CB 3.41Å; D249-I253 WeakPolarHBondContact O-CD1 3.33Å; D249-I253 WeakPolarHBondContact O-CG1 3.27Å; D249-I253 PolarHBondContact O-N 3.08Å; D249-Y366 PolarHBondContact OD1-OH 3.16Å; D249-F377 HydrophobicContact CB-CD1 3.98Å; D249-F377 HydrophobicContact CB-CE1 3.91Å; D249-G384 PolarHBondContact OD1-N 3.49Å
250L92.4Very high91.6Very high42 Ų4233.3 Ų33.322%0.2217%0.167CC..Hα-helixtrans-67.8-41.1176.1-69178.5000113.1S248 A252 S254 W286 I289 F377S248-L250 PolarHBondContact O-N 3.2Å; L250-A252 VanDerWaalsContact C-N 3.32Å; L250-S254 WeakPolarHBondContact O-CB 3.48Å; L250-S254 PolarHBondContact O-N 2.83Å; L250-W286 HydrophobicContact CD1-CZ2 4.09Å; L250-W286 HydrophobicContact CD2-CH2 3.83Å; L250-W286 HydrophobicContact CD2-CZ2 3.54Å; L250-W286 HydrophobicContact CG-CZ2 4.48Å; L250-I289 HydrophobicContact CD2-CD1 4.25Å; L250-I289 HydrophobicContact CD2-CG1 4.3Å; L250-F377 HydrophobicContact CD1-CB 3.87Å; L250-F377 HydrophobicContact CD1-CG 4.22Å; L250-F377 HydrophobicContact CD2-CB 4.13Å; L250-F377 HydrophobicContact CD2-CD1 3.7Å; L250-F377 HydrophobicContact CD2-CD2 3.68Å; L250-F377 HydrophobicContact CD2-CE1 3.95Å; L250-F377 HydrophobicContact CD2-CE2 3.94Å; L250-F377 HydrophobicContact CD2-CG 3.55Å; L250-F377 HydrophobicContact CD2-CZ 4.07Å; L250-F377 HydrophobicContact CG-CB 3.92Å; L250-F377 HydrophobicContact CG-CD1 3.84Å; L250-F377 HydrophobicContact CG-CD2 4.41Å; L250-F377 HydrophobicContact CG-CE1 4.48Å; L250-F377 HydrophobicContact CG-CG 3.8Å
251E93.9Very high91.8Very high85 Ų8537 Ų3740%0.39717%0.174SC..Hα-helixtrans-67.4-36.3173.9-75.9159.7159.200111.6K217 S248 A255K217-E251 HydrophobicContact CD-CB 4.41Å; S248-E251 WeakPolarHBondContact CB-OE2 3.37Å; S248-E251 PolarHBondContact N-OE2 3.22Å; S248-E251 PolarHBondContact O-N 3.01Å; S248-E251 VanDerWaalsContact O-N 3.16Å; S248-E251 VanDerWaalsContact OG-CB 3.26Å; S248-E251 WeakPolarHBondContact OG-CB 3.34Å; S248-E251 WeakPolarHBondContact OG-CG 3.49Å; S248-E251 PolarHBondContact OG-N 2.75Å; S248-E251 PolarHBondContact OG-OE2 2.91Å; E251-A255 VanDerWaalsContact O-CB 3.29Å; E251-A255 WeakPolarHBondContact O-CB 3.41Å; E251-A255 PolarHBondContact O-N 2.52Å
252A94.8Very high92Very high0 Ų043.1 Ų43.10%020%0.203CC..Hα-helixtrans-65.9-52.6176.400000111.6Y233 S248 D249 L250 S254 A255 V256 Y366 V386Y233-A252 HydrophobicContact CE2-CB 3.91Å; S248-A252 WeakPolarHBondContact O-CB 3.45Å; S248-A252 PolarHBondContact O-N 2.79Å; D249-A252 PolarHBondContact O-N 2.86Å; L250-A252 VanDerWaalsContact C-N 3.32Å; A252-S254 VanDerWaalsContact C-N 3.28Å; A252-S254 PolarHBondContact O-N 3.25Å; A252-A255 PolarHBondContact O-N 3.28Å; A252-V256 WeakPolarHBondContact O-CG2 3.44Å; A252-V256 PolarHBondContact O-N 3.22Å; A252-Y366 HydrophobicContact CB-CD2 4.42Å; A252-Y366 HydrophobicContact CB-CE2 4.32Å; A252-V386 HydrophobicContact CB-CG2 3.87Å
253I95.5Very high92.4Very high0 Ų042.7 Ų42.70%020%0.2CC..Hα-helixtrans-58.1-43.4174.6-68.9165.5000110.3D249 A255 V256 I257 I289 M359 Y366 W372 F377D249-I253 WeakPolarHBondContact O-CB 3.41Å; D249-I253 WeakPolarHBondContact O-CD1 3.33Å; D249-I253 WeakPolarHBondContact O-CG1 3.27Å; D249-I253 PolarHBondContact O-N 3.08Å; I253-A255 PolarHBondContact O-N 3.11Å; I253-V256 PolarHBondContact O-N 3.08Å; I253-I257 HydrophobicContact CG2-CD1 3.75Å; I253-I257 HydrophobicContact CG2-CG1 4.43Å; I253-I257 WeakPolarHBondContact O-CG1 3.4Å; I253-I257 PolarHBondContact O-N 2.8Å; I253-I289 HydrophobicContact CD1-CD1 4.16Å; I253-I289 HydrophobicContact CG2-CD1 4.12Å; I253-I289 HydrophobicContact CG2-CG1 4.23Å; I253-M359 HydrophobicContact CB-CE 4.4Å; I253-M359 HydrophobicContact CG2-CE 3.97Å; I253-Y366 HydrophobicContact CD1-CD1 4.45Å; I253-Y366 HydrophobicContact CD1-CE1 3.83Å; I253-Y366 HydrophobicContact CG1-CD1 3.9Å; I253-Y366 HydrophobicContact CG1-CD2 4.26Å; I253-Y366 HydrophobicContact CG1-CE1 3.7Å; I253-Y366 HydrophobicContact CG1-CE2 4.07Å; I253-Y366 HydrophobicContact CG1-CG 4.17Å; I253-W372 HydrophobicContact CG2-CH2 4.22Å; I253-W372 HydrophobicContact CG2-CZ2 4.14Å; I253-F377 HydrophobicContact CD1-CE1 3.73Å; I253-F377 HydrophobicContact CD1-CZ 3.72Å
254S95.3Very high92.9Very high22 Ų2242.5 Ų42.515%0.15420%0.198CC..Hα-helixtrans-61.2-44.7177.5-1800000112.3L250 A252 I257 Q258L250-S254 WeakPolarHBondContact O-CB 3.48Å; L250-S254 PolarHBondContact O-N 2.83Å; A252-S254 VanDerWaalsContact C-N 3.28Å; A252-S254 PolarHBondContact O-N 3.25Å; S254-I257 PolarHBondContact O-N 2.51Å; S254-Q258 WeakPolarHBondContact O-CB 3.28Å; S254-Q258 VanDerWaalsContact O-CG 3.22Å; S254-Q258 WeakPolarHBondContact O-CG 3.36Å; S254-Q258 PolarHBondContact O-N 2.8Å
255A94.6Very high93.5Very high2 Ų237 Ų372%0.01717%0.174CC..Hα-helixtrans-61.1-46.6177.300000111.5K217 E251 A252 I253 I257 Q258 Q259K217-A255 HydrophobicContact CD-CB 3.9Å; K217-A255 HydrophobicContact CG-CB 4.17Å; E251-A255 VanDerWaalsContact O-CB 3.29Å; E251-A255 WeakPolarHBondContact O-CB 3.41Å; E251-A255 PolarHBondContact O-N 2.52Å; A252-A255 PolarHBondContact O-N 3.28Å; I253-A255 PolarHBondContact O-N 3.11Å; A255-I257 PolarHBondContact O-N 2.97Å; A255-Q258 PolarHBondContact O-N 3.33Å; A255-Q259 WeakPolarHBondContact O-CB 3.41Å; A255-Q259 VanDerWaalsContact O-CG 3.26Å; A255-Q259 WeakPolarHBondContact O-CG 3.46Å; A255-Q259 PolarHBondContact O-N 3.18Å
256V95.3Very high94.1Very high0 Ų032.2 Ų32.20%015%0.149CC..Hα-helixtrans-63.4-42.8179.5174.10000111.3A252 I253 Q259 A260 M359 T361 A364 V386A252-V256 WeakPolarHBondContact O-CG2 3.44Å; A252-V256 PolarHBondContact O-N 3.22Å; I253-V256 PolarHBondContact O-N 3.08Å; V256-Q259 PolarHBondContact O-N 2.99Å; V256-A260 PolarHBondContact O-N 3.12Å; V256-M359 HydrophobicContact CB-CE 3.61Å; V256-M359 HydrophobicContact CG1-CE 3.43Å; V256-M359 VanDerWaalsContact CG1-CE 3.43Å; V256-M359 HydrophobicContact CG1-CG 4.49Å; V256-M359 HydrophobicContact CG1-SD 4.21Å; V256-T361 HydrophobicContact CG1-CG2 3.65Å; V256-A364 HydrophobicContact CG1-CB 4.06Å; V256-A364 HydrophobicContact CG2-CB 4.19Å; V256-V386 HydrophobicContact CG2-CG1 3.81Å; V256-V386 HydrophobicContact CG2-CG2 4.18Å
257I95.9Very high94.2Very high1 Ų131.7 Ų31.71%0.00515%0.147CC..Hα-helixtrans-62.6-44.8175.4-69.2169.5000110.8I253 S254 A255 Q259 A260 I264 I289 L292 L293 A296 R300 M359I253-I257 HydrophobicContact CG2-CD1 3.75Å; I253-I257 HydrophobicContact CG2-CG1 4.43Å; I253-I257 WeakPolarHBondContact O-CG1 3.4Å; I253-I257 PolarHBondContact O-N 2.8Å; S254-I257 PolarHBondContact O-N 2.51Å; A255-I257 PolarHBondContact O-N 2.97Å; I257-Q259 VanDerWaalsContact C-N 3.32Å; I257-Q259 PolarHBondContact O-N 2.8Å; I257-A260 WeakPolarHBondContact O-CB 3.24Å; I257-A260 PolarHBondContact O-N 2.71Å; I257-I264 HydrophobicContact CG2-CD1 3.96Å; I257-I289 HydrophobicContact CD1-CG2 4.47Å; I257-L292 HydrophobicContact CD1-CB 4.2Å; I257-L292 HydrophobicContact CD1-CD1 4.44Å; I257-L292 HydrophobicContact CG2-CB 4.07Å; I257-L293 HydrophobicContact CD1-CD2 4.05Å; I257-A296 HydrophobicContact CG2-CB 4.34Å; I257-R300 PolarHBondContact O-NH1 3.47Å; I257-R300 PolarHBondContact O-NH2 2.78Å; I257-M359 HydrophobicContact CD1-SD 4.27Å; I257-M359 HydrophobicContact CG1-CE 4Å; I257-M359 HydrophobicContact CG1-SD 3.59Å; I257-M359 VanDerWaalsContact CG1-SD 3.59Å
258Q93.9Very high94.2Very high100 Ų10031.6 Ų31.647%0.46715%0.146SC..Hα-helixtrans-66-33.2-178.7-75.7173.7-20.800112.8S254 A255 R300S254-Q258 WeakPolarHBondContact O-CB 3.28Å; S254-Q258 VanDerWaalsContact O-CG 3.22Å; S254-Q258 WeakPolarHBondContact O-CG 3.36Å; S254-Q258 PolarHBondContact O-N 2.8Å; A255-Q258 PolarHBondContact O-N 3.33Å; Q258-R300 PolarHBondContact O-NH1 2.73Å
259Q91.4Very high93.9Very high76 Ų7631 Ų3136%0.35514%0.142SC..Hα-helixtrans-75.7-24.5177.7-71175.530.200113.4A255 V256 I257 R261 R363A255-Q259 WeakPolarHBondContact O-CB 3.41Å; A255-Q259 VanDerWaalsContact O-CG 3.26Å; A255-Q259 WeakPolarHBondContact O-CG 3.46Å; A255-Q259 PolarHBondContact O-N 3.18Å; V256-Q259 PolarHBondContact O-N 2.99Å; I257-Q259 VanDerWaalsContact C-N 3.32Å; I257-Q259 PolarHBondContact O-N 2.8Å; Q259-R261 PolarHBondContact O-N 2.9Å; Q259-R363 WeakPolarHBondContact O-CD 3.36Å
260A93.1Very high93.4Very high1 Ų131.7 Ų31.71%0.00815%0.145CC..  trans-61.1132.2-179.300000112.1V256 I257 I264 R300 V302 T361 D362V256-A260 PolarHBondContact O-N 3.12Å; I257-A260 WeakPolarHBondContact O-CB 3.24Å; I257-A260 PolarHBondContact O-N 2.71Å; A260-I264 HydrophobicContact CB-CD1 4.01Å; A260-I264 HydrophobicContact CB-CG1 3.54Å; A260-R300 PolarHBondContact O-NH1 3.29Å; A260-V302 HydrophobicContact CB-CG1 4.49Å; A260-T361 HydrophobicContact CB-CG2 3.77Å; A260-D362 WeakPolarHBondContact CA-OD1 3.33Å
261R90.8Very high93Very high145 Ų14529.8 Ų29.855%0.54714%0.135SC..SBendtrans-111.1-33.5179.7-59.7-175.6178.3177.20.6112.9Q259 D362 E391Q259-R261 PolarHBondContact O-N 2.9Å; R261-D362 WeakPolarHBondContact CB-OD2 3.39Å; R261-D362 PolarHBondContact N-OD1 3.23Å; R261-D362 PolarHBondContact N-OD2 2.74Å; R261-E391 IonicContact NH2-OE1 3.34Å
262H91.6Very high92.4Very high130 Ų13027 Ų2760%0.60212%0.121SC*.SBendtrans-113.9-48.2-170.8-65.6-67.1000112.9H303 D362H262-H303 WeakPolarHBondContact O-CB 3.46Å; H262-H303 PolarHBondContact O-N 3.23Å; H262-D362 HydrophobicContact CB-CB 4.22Å; H262-D362 IonicContact CD2-OD2 2.75Å; H262-D362 PolarHBondContact N-OD1 3.44Å; H262-D362 VanDerWaalsContact N-OD1 3.08Å
263F94.7Very high90.9Very high23 Ų2327.1 Ų27.110%0.10112%0.121CC..EExtended strand (participates in β ladder)trans-147.1155.4-178.368.6-92.4000113Y265 H303 T361 D362 Q405F263-Y265 HydrophobicContact CB-CD1 4.3Å; F263-Y265 HydrophobicContact CB-CE1 3.71Å; F263-Y265 AromaticContact CD2-CD1 3.78Å; F263-Y265 HydrophobicContact CD2-CD1 3.78Å; F263-Y265 AromaticContact CD2-CD2 3.68Å; F263-Y265 HydrophobicContact CD2-CD2 3.68Å; F263-Y265 AromaticContact CD2-CE1 3.68Å; F263-Y265 HydrophobicContact CD2-CE1 3.68Å; F263-Y265 AromaticContact CD2-CE2 3.6Å; F263-Y265 HydrophobicContact CD2-CE2 3.6Å; F263-Y265 AromaticContact CD2-CG 3.76Å; F263-Y265 HydrophobicContact CD2-CG 3.76Å; F263-Y265 AromaticContact CD2-CZ 3.59Å; F263-Y265 AromaticContact CE2-CD2 3.79Å; F263-Y265 HydrophobicContact CE2-CD2 3.79Å; F263-Y265 AromaticContact CE2-CE2 3.81Å; F263-Y265 HydrophobicContact CE2-CE2 3.81Å; F263-Y265 HydrophobicContact CE2-CG 4.24Å; F263-Y265 HydrophobicContact CG-CD1 4.42Å; F263-Y265 AromaticContact CG-CE1 3.93Å; F263-Y265 HydrophobicContact CG-CE1 3.93Å; F263-Y265 HydrophobicContact CG-CE2 4.23Å; F263-Y265 AromaticContact CG-CZ 3.82Å; F263-H303 CarbonylContact C-O 3.44Å; F263-H303 WeakPolarHBondContact CA-O 3.09Å; F263-H303 HydrophobicContact CB-CB 4.24Å; F263-H303 WeakPolarHBondContact CB-O 3.41Å; F263-T361 VanDerWaalsContact CE2-C 3.43Å; F263-T361 VanDerWaalsContact CZ-C 3.41Å; F263-T361 WeakPolarHBondContact CZ-O 3.3Å; F263-T361 WeakPolarHBondContact O-CA 3.38Å; F263-D362 HydrophobicContact CD1-CB 4.13Å; F263-D362 HydrophobicContact CE1-CB 3.72Å; F263-D362 HydrophobicContact CZ-CB 4.25Å; F263-Q405 HydrophobicContact CE2-CG 4.14Å; F263-Q405 VanDerWaalsContact CZ-CD 3.49Å; F263-Q405 HydrophobicContact CZ-CG 4.03Å
264I96.6Very high89.3Confident0 Ų029.6 Ų29.60%013%0.134CC..EExtended strand (participates in β ladder)trans-132.3115.8170.3-61.6160.4000107.6I257 A260 I266 A296 V302 H303 I304 R305 M359 T361I257-I264 HydrophobicContact CG2-CD1 3.96Å; A260-I264 HydrophobicContact CB-CD1 4.01Å; A260-I264 HydrophobicContact CB-CG1 3.54Å; I264-I266 HydrophobicContact CG2-CD1 3.64Å; I264-I266 HydrophobicContact CG2-CG1 3.78Å; I264-A296 HydrophobicContact CD1-CB 3.94Å; I264-V302 HydrophobicContact CD1-CG1 3.75Å; I264-V302 HydrophobicContact CG1-CG1 3.73Å; I264-H303 PolarHBondContact N-O 2.97Å; I264-I304 HydrophobicContact CB-CG1 4.26Å; I264-I304 HydrophobicContact CD1-CD1 4.12Å; I264-I304 HydrophobicContact CD1-CG1 4.39Å; I264-I304 VanDerWaalsContact O-CA 3.29Å; I264-I304 WeakPolarHBondContact O-CA 3.21Å; I264-R305 PolarHBondContact O-N 3.06Å; I264-M359 HydrophobicContact CG2-CG 4.02Å; I264-M359 HydrophobicContact CG2-SD 3.75Å; I264-T361 HydrophobicContact CG1-CG2 4.08Å; I264-T361 HydrophobicContact CG2-CG2 4.5Å
265Y97.1Very high87.5Confident20 Ų2028.9 Ų28.98%0.07813%0.129CC..EExtended strand (participates in β ladder)trans-113128.9176.4-61.5-16.4000109.2F263 R305 M359 V360 Q405 F408 K409F263-Y265 HydrophobicContact CB-CD1 4.3Å; F263-Y265 HydrophobicContact CB-CE1 3.71Å; F263-Y265 AromaticContact CD2-CD1 3.78Å; F263-Y265 HydrophobicContact CD2-CD1 3.78Å; F263-Y265 AromaticContact CD2-CD2 3.68Å; F263-Y265 HydrophobicContact CD2-CD2 3.68Å; F263-Y265 AromaticContact CD2-CE1 3.68Å; F263-Y265 HydrophobicContact CD2-CE1 3.68Å; F263-Y265 AromaticContact CD2-CE2 3.6Å; F263-Y265 HydrophobicContact CD2-CE2 3.6Å; F263-Y265 AromaticContact CD2-CG 3.76Å; F263-Y265 HydrophobicContact CD2-CG 3.76Å; F263-Y265 AromaticContact CD2-CZ 3.59Å; F263-Y265 AromaticContact CE2-CD2 3.79Å; F263-Y265 HydrophobicContact CE2-CD2 3.79Å; F263-Y265 AromaticContact CE2-CE2 3.81Å; F263-Y265 HydrophobicContact CE2-CE2 3.81Å; F263-Y265 HydrophobicContact CE2-CG 4.24Å; F263-Y265 HydrophobicContact CG-CD1 4.42Å; F263-Y265 AromaticContact CG-CE1 3.93Å; F263-Y265 HydrophobicContact CG-CE1 3.93Å; F263-Y265 HydrophobicContact CG-CE2 4.23Å; F263-Y265 AromaticContact CG-CZ 3.82Å; Y265-R305 WeakPolarHBondContact CA-O 3.16Å; Y265-R305 HydrophobicContact CD1-CB 3.61Å; Y265-R305 HydrophobicContact CD1-CG 3.82Å; Y265-R305 HydrophobicContact CE1-CB 4.08Å; Y265-R305 HydrophobicContact CE1-CG 3.74Å; Y265-R305 HydrophobicContact CG-CB 4.39Å; Y265-M359 CarbonylContact O-C 3.55Å; Y265-M359 VanDerWaalsContact O-CA 3.29Å; Y265-M359 WeakPolarHBondContact O-CA 3.38Å; Y265-V360 HydrophobicContact CD2-CG1 4.18Å; Y265-V360 HydrophobicContact CG-CG1 4.41Å; Y265-V360 PolarHBondContact N-O 3.05Å; Y265-V360 PolarHBondContact O-N 2.98Å; Y265-Q405 HydrophobicContact CD2-CG 4.25Å; Y265-Q405 HydrophobicContact CE2-CG 4.08Å; Y265-F408 HydrophobicContact CD1-CD1 4.46Å; Y265-F408 HydrophobicContact CD1-CE1 4.08Å; Y265-F408 AromaticContact CD2-CD1 3.44Å; Y265-F408 HydrophobicContact CD2-CD1 3.44Å; Y265-F408 VanDerWaalsContact CD2-CD1 3.44Å; Y265-F408 AromaticContact CD2-CE1 3.89Å; Y265-F408 HydrophobicContact CD2-CE1 3.89Å; Y265-F408 HydrophobicContact CD2-CG 4.11Å; Y265-F408 HydrophobicContact CE2-CD1 4.24Å; Y265-F408 AromaticContact CG-CD1 3.58Å; Y265-F408 HydrophobicContact CG-CD1 3.58Å; Y265-F408 AromaticContact CG-CE1 3.58Å; Y265-F408 HydrophobicContact CG-CE1 3.58Å; Y265-F408 HydrophobicContact CG-CG 4.22Å; Y265-F408 HydrophobicContact CG-CZ 4.2Å; Y265-K409 HydrophobicContact CE2-CG 4.42Å
266I96.4Very high85.7Confident0 Ų031.9 Ų31.90%015%0.147CC..EExtended strand (participates in β ladder)trans-130.6126.6-171.4-62.2151.4000108.6I264 T268 L293 I304 R305 L306 L307 M359 W372 F408I264-I266 HydrophobicContact CG2-CD1 3.64Å; I264-I266 HydrophobicContact CG2-CG1 3.78Å; I266-T268 HydrophobicContact CG2-CG2 4.43Å; I266-L293 HydrophobicContact CD1-CD1 4.49Å; I266-L293 HydrophobicContact CD1-CD2 3.86Å; I266-I304 HydrophobicContact CD1-CG2 4.43Å; I266-R305 PolarHBondContact N-O 2.82Å; I266-L306 HydrophobicContact CB-CD2 3.96Å; I266-L306 HydrophobicContact CD1-CD2 3.6Å; I266-L306 HydrophobicContact CG1-CD2 4.4Å; I266-L306 HydrophobicContact CG2-CD2 4.21Å; I266-L307 PolarHBondContact O-N 3.12Å; I266-M359 HydrophobicContact CG1-CB 4.17Å; I266-M359 HydrophobicContact CG1-CG 3.88Å; I266-M359 HydrophobicContact CG1-SD 4.2Å; I266-W372 HydrophobicContact CB-CH2 4.22Å; I266-W372 HydrophobicContact CB-CZ3 4.37Å; I266-W372 HydrophobicContact CD1-CE3 4.32Å; I266-W372 HydrophobicContact CD1-CH2 3.44Å; I266-W372 VanDerWaalsContact CD1-CH2 3.44Å; I266-W372 HydrophobicContact CD1-CZ3 3.28Å; I266-W372 HydrophobicContact CG1-CH2 3.43Å; I266-W372 VanDerWaalsContact CG1-CH2 3.43Å; I266-W372 HydrophobicContact CG1-CZ2 4.18Å; I266-W372 HydrophobicContact CG1-CZ3 3.76Å; I266-W372 HydrophobicContact CG2-CD2 4.1Å; I266-W372 HydrophobicContact CG2-CE3 3.91Å; I266-W372 HydrophobicContact CG2-CH2 3.7Å; I266-W372 HydrophobicContact CG2-CZ2 3.84Å; I266-W372 HydrophobicContact CG2-CZ3 3.73Å; I266-F408 WeakPolarHBondContact O-CE2 3.39Å
267S94.9Very high83.8Confident0 Ų033.2 Ų33.20%015%0.154CC..EExtended strand (participates in β ladder)trans-112.4122.3167.9-173.20000108.7L307 N354 N356 R357 F358S267-L307 WeakPolarHBondContact CA-O 3.42Å; S267-N354 PolarHBondContact OG-ND2 3.38Å; S267-N356 CarbonylContact C-O 3.46Å; S267-N356 VanDerWaalsContact O-O 3.11Å; S267-R357 WeakPolarHBondContact O-CA 3.49Å; S267-F358 VanDerWaalsContact CB-CE1 3.41Å; S267-F358 PolarHBondContact N-O 3.41Å; S267-F358 PolarHBondContact O-N 3.02Å
268T92.1Very high81.7Confident0 Ų038.1 Ų38.10%019%0.188CC..EExtended strand (participates in β ladder)trans-147.1160.4179-174.60000109.9I266 D270 L307 I308 S309 D371I266-T268 HydrophobicContact CG2-CG2 4.43Å; T268-D270 WeakPolarHBondContact CG2-O 3.49Å; T268-D270 PolarHBondContact OG1-O 3.23Å; T268-L307 PolarHBondContact N-O 3.47Å; T268-I308 HydrophobicContact CG2-CG1 4.07Å; T268-I308 WeakPolarHBondContact O-CA 3.12Å; T268-S309 PolarHBondContact O-N 2.87Å; T268-S309 VanDerWaalsContact O-N 3.12Å; T268-D371 PolarHBondContact OG1-OD1 3.15Å
269I88.1Confident79.8Confident5 Ų539.9 Ų39.93%0.02619%0.194CC..SBendtrans-78.9-46.4175.2-51.9-167.8000110.4I308 W311 M353 H355 R357 D371I269-I308 WeakPolarHBondContact O-CG2 3.39Å; I269-W311 HydrophobicContact CG2-CZ2 4.44Å; I269-M353 HydrophobicContact CD1-SD 4.09Å; I269-M353 HydrophobicContact CG2-SD 4.08Å; I269-H355 HydrophobicContact CD1-CB 4.1Å; I269-H355 WeakPolarHBondContact CD1-CD2 3.23Å; I269-R357 VanDerWaalsContact CD1-CZ 3.4Å; I269-D371 VanDerWaalsContact CB-OD1 3.29Å; I269-D371 WeakPolarHBondContact CB-OD1 3.27Å; I269-D371 WeakPolarHBondContact CG1-OD1 3.21Å; I269-D371 PolarHBondContact N-OD1 3.06Å
270D83.4Confident78.1Confident13 Ų1338 Ų387%0.0719%0.192CC..  trans-132.8147.3-178.2-163.210.2000111.1T268 R272 T318 D371 W372 V373T268-D270 WeakPolarHBondContact CG2-O 3.49Å; T268-D270 PolarHBondContact OG1-O 3.23Å; D270-R272 IonicContact OD1-NE 2.73Å; D270-R272 IonicContact OD2-CZ 2.73Å; D270-R272 IonicContact OD2-NE 3.17Å; D270-R272 PolarHBondContact OD2-NE 2.86Å; D270-R272 IonicContact OD2-NH2 3.63Å; D270-R272 PolarHBondContact OD2-NH2 3.42Å; D270-T318 PolarHBondContact OD1-OG1 3.27Å; D270-D371 HydrophobicContact CB-CB 4.48Å; D270-W372 PolarHBondContact O-N 3.14Å; D270-V373 HydrophobicContact CB-CG2 3.95Å
271Y84.4Confident76.3Confident2 Ų244 Ų441%0.00823%0.234CC..EExtended strand (participates in β ladder)trans-136.1105.6178.5179-94.4000109.2I289 D290 L293 T318 F321 I322 L325 W372Y271-I289 HydrophobicContact CE2-CG2 4.44Å; Y271-D290 WeakPolarHBondContact OH-CA 3.29Å; Y271-D290 PolarHBondContact OH-OD1 2.76Å; Y271-L293 HydrophobicContact CE2-CD1 3.91Å; Y271-T318 WeakPolarHBondContact O-CG2 3.46Å; Y271-F321 HydrophobicContact CD1-CB 4.3Å; Y271-F321 HydrophobicContact CE1-CB 4.1Å; Y271-I322 HydrophobicContact CD1-CG1 4.26Å; Y271-L325 HydrophobicContact CE1-CD1 3.83Å; Y271-W372 HydrophobicContact CD2-CB 4Å; Y271-W372 HydrophobicContact CD2-CE3 4.18Å; Y271-W372 HydrophobicContact CE2-CE3 4.19Å
272R80.8Confident74.9Confident28 Ų2841.4 Ų41.411%0.10623%0.234CC..EExtended strand (participates in β ladder)trans-144.7123-179.8-70.6-173.9-74.3172.9-4.1112.6D270 M274 H315 T318 W372 V373D270-R272 IonicContact OD1-NE 2.73Å; D270-R272 IonicContact OD2-CZ 2.73Å; D270-R272 IonicContact OD2-NE 3.17Å; D270-R272 PolarHBondContact OD2-NE 2.86Å; D270-R272 IonicContact OD2-NH2 3.63Å; D270-R272 PolarHBondContact OD2-NH2 3.42Å; R272-M274 PolarHBondContact O-N 3.12Å; R272-H315 PolarHBondContact NH1-CD2 3.3Å; R272-T318 VanDerWaalsContact CG-OG1 3.24Å; R272-T318 WeakPolarHBondContact CG-OG1 3.42Å; R272-W372 PolarHBondContact N-O 3.3Å; R272-V373 HydrophobicContact CB-CG1 4.05Å; R272-V373 HydrophobicContact CB-CG2 4.06Å; R272-V373 WeakPolarHBondContact O-CA 3.44Å
273S63.3Low73.7Confident1 Ų139.4 Ų39.41%0.00723%0.233CC..SBendtrans-87.225.2176.7-48.10000112.7Y285 W286 D290S273-Y285 WeakPolarHBondContact O-CD2 3.34Å; S273-Y285 WeakPolarHBondContact O-CE2 3.23Å; S273-W286 CarbonylContact C-O 3.52Å; S273-W286 VanDerWaalsContact CA-O 3.26Å; S273-W286 WeakPolarHBondContact CA-O 3.48Å; S273-W286 VanDerWaalsContact CB-O 3.27Å; S273-W286 WeakPolarHBondContact CB-O 3.42Å; S273-W286 CarbonylContact O-C 3.53Å; S273-W286 PolarHBondContact O-N 2.71Å; S273-W286 VanDerWaalsContact O-O 3.07Å; S273-D290 WeakPolarHBondContact OG-CB 3.36Å; S273-D290 PolarHBondContact OG-OD1 3.16Å
274M61.4Low72.7Confident53 Ų5346.9 Ų46.926%0.26126%0.26SS..SBendtrans-131.4117.8176-153.9166.879.900109.1R272 V276 L317 F321R272-M274 PolarHBondContact O-N 3.12Å; M274-V276 PolarHBondContact O-N 3.34Å; M274-V276 VanDerWaalsContact O-N 3.13Å; M274-L317 HydrophobicContact CE-CD1 3.5Å; M274-L317 VanDerWaalsContact CE-CD1 3.5Å; M274-L317 HydrophobicContact SD-CD1 4.5Å; M274-F321 HydrophobicContact CB-CE2 4.12Å; M274-F321 HydrophobicContact CB-CZ 4.02Å
275P58.3Low71.7Confident7 Ų752.8 Ų52.85%0.04528%0.283CS..  trans-64.6110.4162.228.5-16.4000107.4D277 R284 W286P275-D277 PolarHBondContact O-N 3.35Å; P275-R284 WeakPolarHBondContact CD-O 3.27Å; P275-R284 HydrophobicContact CG-CB 4.02Å; P275-R284 WeakPolarHBondContact CG-O 3.3Å; P275-W286 HydrophobicContact CG-CB 4.15Å
276V55.6Low71.1Confident65 Ų6552.9 Ų52.939%0.39428%0.284SS..  trans-74.580.3154.7-176.20000105M274 S278M274-V276 PolarHBondContact O-N 3.34Å; M274-V276 VanDerWaalsContact O-N 3.13Å; V276-S278 VanDerWaalsContact C-N 3.33Å; V276-S278 PolarHBondContact O-N 3.25Å; V276-S278 VanDerWaalsContact O-N 3.07Å
277D55.5Low70.6Confident27 Ų2755.7 Ų55.714%0.14430%0.303CS..  trans-70.998.5166.8-108.5-23.9000106.4P275 F279 A280 Y379P275-D277 PolarHBondContact O-N 3.35Å; D277-F279 PolarHBondContact O-N 3.19Å; D277-A280 HydrophobicContact CB-CB 3.52Å; D277-A280 PolarHBondContact O-N 3.33Å; D277-Y379 VanDerWaalsContact CG-OH 3.29Å; D277-Y379 WeakPolarHBondContact OD1-CE2 3.3Å; D277-Y379 PolarHBondContact OD1-OH 3.2Å; D277-Y379 PolarHBondContact OD2-OH 3.48Å
278S52.3Low70.3Confident105 Ų10564.2 Ų64.273%0.73434%0.335SS*.THydrogen-bonded Turntrans-57.8-16.8172.1-51.40000112.1V276V276-S278 VanDerWaalsContact C-N 3.33Å; V276-S278 PolarHBondContact O-N 3.25Å; V276-S278 VanDerWaalsContact O-N 3.07Å
279F53.3Low70.3Confident136 Ų13664.3 Ų64.360%0.59634%0.336SS*.THydrogen-bonded Turntrans-109.2-12.1-174.1-56.3-72.3000114.8K139 D277K139-F279 HydrophobicContact CB-CE2 3.94Å; K139-F279 HydrophobicContact CB-CZ 4.31Å; K139-F279 HydrophobicContact CD-CD2 4.21Å; K139-F279 HydrophobicContact CD-CE2 4.24Å; K139-F279 HydrophobicContact CD-CG 4.36Å; K139-F279 HydrophobicContact CD-CZ 4.42Å; D277-F279 PolarHBondContact O-N 3.19Å
280A56Low70.4Confident37 Ų3764.2 Ų64.231%0.30634%0.335SS..SBendtrans-9713217500000109D277 V282D277-A280 HydrophobicContact CB-CB 3.52Å; D277-A280 PolarHBondContact O-N 3.33Å; A280-V282 PolarHBondContact O-N 2.85Å; A280-V282 VanDerWaalsContact O-N 3.08Å
281S55Low70.8Confident126 Ų12665.1 Ų65.188%0.88135%0.348SS*.SBendtrans-64.6-11.7178.4530000113.9
282V61.9Low71.3Confident91 Ų9166.2 Ų66.255%0.55235%0.353SS*.SBendtrans-132.2119.7-179.4-174.80000109.6A280 R284A280-V282 PolarHBondContact O-N 2.85Å; A280-V282 VanDerWaalsContact O-N 3.08Å; V282-R284 PolarHBondContact O-N 2.94Å
283P66.1Low71.9Confident89 Ų8964.9 Ų64.958%0.57835%0.349SS*.PPolyproline II helixtrans-57.6122170.2-19.130.1000109.5
284R73.4Confident73.3Confident180 Ų18067.4 Ų67.468%0.67936%0.358SS*.PPolyproline II helixtrans-89.5162173.5-69.1-176.9176.1173.9-0.6109.5P275 V282P275-R284 WeakPolarHBondContact CD-O 3.27Å; P275-R284 HydrophobicContact CG-CB 4.02Å; P275-R284 WeakPolarHBondContact CG-O 3.3Å; V282-R284 PolarHBondContact O-N 2.94Å
285Y77Confident74.8Confident124 Ų12468.9 Ų68.949%0.48636%0.364SS..PPolyproline II helixtrans-93.1137.4169.2-179.2-122.1000109.1S273 S287 D290 F321S273-Y285 WeakPolarHBondContact O-CD2 3.34Å; S273-Y285 WeakPolarHBondContact O-CE2 3.23Å; Y285-S287 VanDerWaalsContact CE1-CB 3.43Å; Y285-D290 PolarHBondContact OH-OD2 3.46Å; Y285-F321 AromaticContact CE2-CE1 3.75Å; Y285-F321 HydrophobicContact CE2-CE1 3.75Å; Y285-F321 HydrophobicContact CE2-CZ 4.29Å
286W83.5Confident76.4Confident22 Ų2268.6 Ų68.68%0.08336%0.362CS..  trans-115.298.5178.9-17486.5000109.8L250 S273 P275 R288 I289 G374 F377L250-W286 HydrophobicContact CD1-CZ2 4.09Å; L250-W286 HydrophobicContact CD2-CH2 3.83Å; L250-W286 HydrophobicContact CD2-CZ2 3.54Å; L250-W286 HydrophobicContact CG-CZ2 4.48Å; S273-W286 CarbonylContact C-O 3.52Å; S273-W286 VanDerWaalsContact CA-O 3.26Å; S273-W286 WeakPolarHBondContact CA-O 3.48Å; S273-W286 VanDerWaalsContact CB-O 3.27Å; S273-W286 WeakPolarHBondContact CB-O 3.42Å; S273-W286 CarbonylContact O-C 3.53Å; S273-W286 PolarHBondContact O-N 2.71Å; S273-W286 VanDerWaalsContact O-O 3.07Å; P275-W286 HydrophobicContact CG-CB 4.15Å; W286-R288 HydrophobicContact CD2-CB 4.43Å; W286-R288 HydrophobicContact CH2-CB 4.22Å; W286-R288 HydrophobicContact CZ2-CB 3.74Å; W286-R288 HydrophobicContact CZ2-CG 4.21Å; W286-I289 HydrophobicContact CH2-CB 4.09Å; W286-I289 HydrophobicContact CH2-CD1 3.59Å; W286-I289 HydrophobicContact CH2-CG1 3.56Å; W286-I289 HydrophobicContact CZ3-CB 4.01Å; W286-I289 HydrophobicContact CZ3-CD1 4.1Å; W286-I289 HydrophobicContact CZ3-CG1 4.02Å; W286-G374 VanDerWaalsContact CD2-CA 3.41Å; W286-F377 AromaticContact CH2-CD2 3.75Å; W286-F377 HydrophobicContact CH2-CD2 3.75Å; W286-F377 AromaticContact CH2-CE2 3.77Å; W286-F377 HydrophobicContact CH2-CE2 3.77Å; W286-F377 AromaticContact CZ2-CD2 3.79Å; W286-F377 HydrophobicContact CZ2-CD2 3.79Å; W286-F377 HydrophobicContact CZ2-CE2 4.27Å
287S86.2Confident78.1Confident59 Ų5965.5 Ų65.541%0.41334%0.344SS..  trans-98.82.1-169.5610000115.1Y285 D290 G291Y285-S287 VanDerWaalsContact CE1-CB 3.43Å; S287-D290 PolarHBondContact O-N 2.73Å; S287-G291 PolarHBondContact O-N 3.25Å
288R89.1Confident79.7Confident179 Ų17967.1 Ų67.168%0.67535%0.352SS*.Hα-helixtrans-58.1-59.1-165.9-67.4-70.2-170.6172.72.5112.6W286 L292W286-R288 HydrophobicContact CD2-CB 4.43Å; W286-R288 HydrophobicContact CH2-CB 4.22Å; W286-R288 HydrophobicContact CZ2-CB 3.74Å; W286-R288 HydrophobicContact CZ2-CG 4.21Å; R288-L292 WeakPolarHBondContact O-CD1 3.43Å; R288-L292 WeakPolarHBondContact O-CG 3.07Å
289I91.8Very high81.5Confident2 Ų268.1 Ų68.11%0.0135%0.348CS..Hα-helixtrans-74.2-40.4178.1-65.1177.5000110.9L250 I253 I257 Y271 W286 G291 L292 L293 W372 F377L250-I289 HydrophobicContact CD2-CD1 4.25Å; L250-I289 HydrophobicContact CD2-CG1 4.3Å; I253-I289 HydrophobicContact CD1-CD1 4.16Å; I253-I289 HydrophobicContact CG2-CD1 4.12Å; I253-I289 HydrophobicContact CG2-CG1 4.23Å; I257-I289 HydrophobicContact CD1-CG2 4.47Å; Y271-I289 HydrophobicContact CE2-CG2 4.44Å; W286-I289 HydrophobicContact CH2-CB 4.09Å; W286-I289 HydrophobicContact CH2-CD1 3.59Å; W286-I289 HydrophobicContact CH2-CG1 3.56Å; W286-I289 HydrophobicContact CZ3-CB 4.01Å; W286-I289 HydrophobicContact CZ3-CD1 4.1Å; W286-I289 HydrophobicContact CZ3-CG1 4.02Å; I289-G291 VanDerWaalsContact C-N 3.34Å; I289-G291 PolarHBondContact O-N 3.42Å; I289-L292 WeakPolarHBondContact O-CB 3.21Å; I289-L292 PolarHBondContact O-N 3Å; I289-L292 VanDerWaalsContact O-N 3.13Å; I289-L293 HydrophobicContact CG2-CD1 4.06Å; I289-L293 HydrophobicContact CG2-CG 4.19Å; I289-L293 WeakPolarHBondContact O-CG 3.24Å; I289-L293 PolarHBondContact O-N 2.79Å; I289-W372 HydrophobicContact CD1-CB 4.37Å; I289-W372 HydrophobicContact CD1-CD2 4.08Å; I289-W372 HydrophobicContact CD1-CE3 4.27Å; I289-W372 HydrophobicContact CD1-CG 4.14Å; I289-W372 HydrophobicContact CG2-CD2 4.38Å; I289-W372 HydrophobicContact CG2-CE3 3.54Å; I289-W372 HydrophobicContact CG2-CZ3 3.59Å; I289-F377 HydrophobicContact CD1-CE2 3.89Å; I289-F377 HydrophobicContact CD1-CZ 3.94Å
290D90.4Very high83.3Confident2 Ų265.3 Ų65.31%0.01133%0.333CS..Hα-helixtrans-57.2-44.9-178.9-163.680000112.5Y271 S273 Y285 S287 L292 L293 R294Y271-D290 WeakPolarHBondContact OH-CA 3.29Å; Y271-D290 PolarHBondContact OH-OD1 2.76Å; S273-D290 WeakPolarHBondContact OG-CB 3.36Å; S273-D290 PolarHBondContact OG-OD1 3.16Å; Y285-D290 PolarHBondContact OH-OD2 3.46Å; S287-D290 PolarHBondContact O-N 2.73Å; D290-L292 PolarHBondContact O-N 3.42Å; D290-L293 PolarHBondContact O-N 3Å; D290-R294 VanDerWaalsContact O-CG 3.31Å; D290-R294 WeakPolarHBondContact O-CG 3.42Å; D290-R294 PolarHBondContact O-N 3.26Å; D290-R294 IonicContact OD1-NH2 3.58Å; D290-R294 IonicContact OD2-CZ 3.03Å; D290-R294 IonicContact OD2-NE 3.97Å; D290-R294 PolarHBondContact OD2-NE 3.05Å; D290-R294 IonicContact OD2-NH2 3.69Å; D290-R294 PolarHBondContact OD2-NH2 3.3Å; D290-R294 VanDerWaalsContact OD2-NH2 3.1Å
291G91.9Very high84.9Confident32 Ų3266.7 Ų66.733%0.3333%0.332SS..Hα-helixtrans-62-42.2176.600000112.4S287 I289 R294 E295S287-G291 PolarHBondContact O-N 3.25Å; I289-G291 VanDerWaalsContact C-N 3.34Å; I289-G291 PolarHBondContact O-N 3.42Å; G291-R294 PolarHBondContact O-N 3.3Å; G291-E295 WeakPolarHBondContact O-CB 3.45Å; G291-E295 PolarHBondContact O-N 2.93Å
292L93.8Very high86.8Confident25 Ų2560.7 Ų60.713%0.13129%0.291CS..Hα-helixtrans-64.9-39.8177.7-67.8168.1000112.1I257 R288 I289 D290 E295 A296I257-L292 HydrophobicContact CD1-CB 4.2Å; I257-L292 HydrophobicContact CD1-CD1 4.44Å; I257-L292 HydrophobicContact CG2-CB 4.07Å; R288-L292 WeakPolarHBondContact O-CD1 3.43Å; R288-L292 WeakPolarHBondContact O-CG 3.07Å; I289-L292 WeakPolarHBondContact O-CB 3.21Å; I289-L292 PolarHBondContact O-N 3Å; I289-L292 VanDerWaalsContact O-N 3.13Å; D290-L292 PolarHBondContact O-N 3.42Å; L292-E295 PolarHBondContact O-N 2.72Å; L292-A296 WeakPolarHBondContact O-CB 3.48Å; L292-A296 PolarHBondContact O-N 2.96Å
293L93.6Very high88.3Confident1 Ų161.3 Ų61.31%0.00529%0.287CS..Hα-helixtrans-66.9-43.6175.4-64.5177.9000111.2I257 I266 Y271 I289 D290 E295 A296 L297 I304 L325 W372I257-L293 HydrophobicContact CD1-CD2 4.05Å; I266-L293 HydrophobicContact CD1-CD1 4.49Å; I266-L293 HydrophobicContact CD1-CD2 3.86Å; Y271-L293 HydrophobicContact CE2-CD1 3.91Å; I289-L293 HydrophobicContact CG2-CD1 4.06Å; I289-L293 HydrophobicContact CG2-CG 4.19Å; I289-L293 WeakPolarHBondContact O-CG 3.24Å; I289-L293 PolarHBondContact O-N 2.79Å; D290-L293 PolarHBondContact O-N 3Å; L293-E295 VanDerWaalsContact C-N 3.33Å; L293-E295 PolarHBondContact O-N 3.16Å; L293-A296 PolarHBondContact O-N 3.38Å; L293-L297 WeakPolarHBondContact O-CB 3.43Å; L293-L297 VanDerWaalsContact O-CG 3.27Å; L293-L297 WeakPolarHBondContact O-CG 3.32Å; L293-L297 PolarHBondContact O-N 2.95Å; L293-I304 HydrophobicContact CB-CD1 4.28Å; L293-I304 HydrophobicContact CD2-CD1 3.89Å; L293-L325 HydrophobicContact CD1-CD1 4.49Å; L293-W372 HydrophobicContact CD1-CZ3 4.31Å; L293-W372 HydrophobicContact CD2-CZ3 4.49Å
294R92.6Very high89.7Confident54 Ų5457.1 Ų57.120%0.20426%0.26CS..Hα-helixtrans-61.2-42.3175.3-70-178.1-166.8-96.5-3.6111.8D290 G291 L297 I298 S324 L325 L328D290-R294 VanDerWaalsContact O-CG 3.31Å; D290-R294 WeakPolarHBondContact O-CG 3.42Å; D290-R294 PolarHBondContact O-N 3.26Å; D290-R294 IonicContact OD1-NH2 3.58Å; D290-R294 IonicContact OD2-CZ 3.03Å; D290-R294 IonicContact OD2-NE 3.97Å; D290-R294 PolarHBondContact OD2-NE 3.05Å; D290-R294 IonicContact OD2-NH2 3.69Å; D290-R294 PolarHBondContact OD2-NH2 3.3Å; D290-R294 VanDerWaalsContact OD2-NH2 3.1Å; G291-R294 PolarHBondContact O-N 3.3Å; R294-L297 PolarHBondContact O-N 3.46Å; R294-I298 WeakPolarHBondContact O-CB 3.48Å; R294-I298 VanDerWaalsContact O-CG1 3.3Å; R294-I298 WeakPolarHBondContact O-CG1 3.26Å; R294-I298 PolarHBondContact O-N 3.27Å; R294-S324 PolarHBondContact NH1-O 2.84Å; R294-S324 PolarHBondContact NH1-OG 3.29Å; R294-S324 PolarHBondContact NH2-OG 2.72Å; R294-L325 HydrophobicContact CG-CD2 3.56Å; R294-L328 HydrophobicContact CB-CD1 4.35Å; R294-L328 HydrophobicContact CG-CD1 3.66Å
295E92.9Very high90.7Very high84 Ų8450.8 Ų50.839%0.39324%0.236SC..Hα-helixtrans-62.2-46.8176-166.8-168.4146.500111.4G291 L292 L293 L297 I298 L299 R300G291-E295 WeakPolarHBondContact O-CB 3.45Å; G291-E295 PolarHBondContact O-N 2.93Å; L292-E295 PolarHBondContact O-N 2.72Å; L293-E295 VanDerWaalsContact C-N 3.33Å; L293-E295 PolarHBondContact O-N 3.16Å; E295-L297 VanDerWaalsContact C-N 3.34Å; E295-L297 PolarHBondContact O-N 3.07Å; E295-I298 PolarHBondContact O-N 3.42Å; E295-L299 HydrophobicContact CG-CB 4.46Å; E295-L299 HydrophobicContact CG-CD1 3.68Å; E295-L299 HydrophobicContact CG-CG 4.2Å; E295-L299 WeakPolarHBondContact O-CB 3.31Å; E295-L299 PolarHBondContact O-N 3.45Å; E295-R300 PolarHBondContact O-N 2.66Å
296A93.3Very high91.5Very high0 Ų044.9 Ų44.90%021%0.213CC..Hα-helixtrans-59.5-43176.900000112.4I257 I264 L292 L293 R300 K301 V302 I304I257-A296 HydrophobicContact CG2-CB 4.34Å; I264-A296 HydrophobicContact CD1-CB 3.94Å; L292-A296 WeakPolarHBondContact O-CB 3.48Å; L292-A296 PolarHBondContact O-N 2.96Å; L293-A296 PolarHBondContact O-N 3.38Å; A296-R300 VanDerWaalsContact CB-NH2 3.26Å; A296-R300 CarbonylContact O-C 3.52Å; A296-R300 PolarHBondContact O-N 3.04Å; A296-K301 PolarHBondContact O-N 3.13Å; A296-V302 HydrophobicContact CB-CB 4.34Å; A296-V302 PolarHBondContact O-N 2.57Å; A296-I304 HydrophobicContact CB-CD1 4.19Å
297L91.2Very high92Very high1 Ų143.9 Ų43.91%0.00521%0.209CC..Hα-helixtrans-67.1-51.4177.8-73.5165.8000112.3L293 R294 E295 K301 I304 L337L293-L297 WeakPolarHBondContact O-CB 3.43Å; L293-L297 VanDerWaalsContact O-CG 3.27Å; L293-L297 WeakPolarHBondContact O-CG 3.32Å; L293-L297 PolarHBondContact O-N 2.95Å; R294-L297 PolarHBondContact O-N 3.46Å; E295-L297 VanDerWaalsContact C-N 3.34Å; E295-L297 PolarHBondContact O-N 3.07Å; L297-K301 WeakPolarHBondContact O-CA 3.41Å; L297-K301 WeakPolarHBondContact O-CD 3.44Å; L297-K301 PolarHBondContact O-N 3.14Å; L297-I304 HydrophobicContact CD1-CD1 4.15Å; L297-I304 HydrophobicContact CD2-CB 3.95Å; L297-I304 HydrophobicContact CD2-CD1 3.78Å; L297-I304 HydrophobicContact CD2-CG1 3.62Å; L297-I304 HydrophobicContact CG-CD1 3.55Å; L297-I304 HydrophobicContact CG-CG1 4.01Å; L297-L337 HydrophobicContact CD1-CB 4.33Å; L297-L337 HydrophobicContact CD1-CD1 4.17Å; L297-L337 HydrophobicContact CD1-CD2 4.31Å; L297-L337 HydrophobicContact CD2-CB 3.92Å; L297-L337 HydrophobicContact CD2-CD1 4.29Å
298I89.3Confident92.3Very high61 Ų6141.1 Ų41.131%0.31319%0.19SC..Hα-helixtrans-84.8-45.8-167.5-61.6170.9000111.1R294 E295 K301 L328R294-I298 WeakPolarHBondContact O-CB 3.48Å; R294-I298 VanDerWaalsContact O-CG1 3.3Å; R294-I298 WeakPolarHBondContact O-CG1 3.26Å; R294-I298 PolarHBondContact O-N 3.27Å; E295-I298 PolarHBondContact O-N 3.42Å; I298-K301 WeakPolarHBondContact O-CD 3.22Å; I298-K301 WeakPolarHBondContact O-CE 3.34Å; I298-K301 PolarHBondContact O-NZ 3.31Å; I298-L328 HydrophobicContact CD1-CD1 3.96Å; I298-L328 HydrophobicContact CD1-CD2 4.5Å
299L89.6Confident92.3Very high125 Ų12532.6 Ų32.665%0.65416%0.157SC*.THydrogen-bonded Turntrans-89.2-41.3-173.4-56.3-172.8000111.9E295E295-L299 HydrophobicContact CG-CB 4.46Å; E295-L299 HydrophobicContact CG-CD1 3.68Å; E295-L299 HydrophobicContact CG-CG 4.2Å; E295-L299 WeakPolarHBondContact O-CB 3.31Å; E295-L299 PolarHBondContact O-N 3.45Å
300R90.8Very high91.9Very high78 Ų7832.8 Ų32.829%0.29416%0.159SC..SBendtrans-99.6-8.5-174-61-171.8-66.3139.24.8114.5I257 Q258 A260 E295 A296 V302I257-R300 PolarHBondContact O-NH1 3.47Å; I257-R300 PolarHBondContact O-NH2 2.78Å; Q258-R300 PolarHBondContact O-NH1 2.73Å; A260-R300 PolarHBondContact O-NH1 3.29Å; E295-R300 PolarHBondContact O-N 2.66Å; A296-R300 VanDerWaalsContact CB-NH2 3.26Å; A296-R300 CarbonylContact O-C 3.52Å; A296-R300 PolarHBondContact O-N 3.04Å; R300-V302 HydrophobicContact CB-CG2 3.78Å; R300-V302 PolarHBondContact O-N 3.21Å
301K90.6Very high91.3Very high65 Ų6535.9 Ų35.928%0.28317%0.171SC..  trans56.431.7179.3-50.3-48.6-166.6-173.30113.5A296 L297 I298 H303 Q332A296-K301 PolarHBondContact O-N 3.13Å; L297-K301 WeakPolarHBondContact O-CA 3.41Å; L297-K301 WeakPolarHBondContact O-CD 3.44Å; L297-K301 PolarHBondContact O-N 3.14Å; I298-K301 WeakPolarHBondContact O-CD 3.22Å; I298-K301 WeakPolarHBondContact O-CE 3.34Å; I298-K301 PolarHBondContact O-NZ 3.31Å; K301-H303 PolarHBondContact O-ND1 2.89Å; K301-Q332 VanDerWaalsContact NZ-OE1 3.15Å
302V93.3Very high90.3Very high1 Ų139.7 Ų39.71%0.00618%0.18CC..  trans-74.5138.1178.51800000109.6A260 I264 A296 R300A260-V302 HydrophobicContact CB-CG1 4.49Å; I264-V302 HydrophobicContact CD1-CG1 3.75Å; I264-V302 HydrophobicContact CG1-CG1 3.73Å; A296-V302 HydrophobicContact CB-CB 4.34Å; A296-V302 PolarHBondContact O-N 2.57Å; R300-V302 HydrophobicContact CB-CG2 3.78Å; R300-V302 PolarHBondContact O-N 3.21Å
303H93.7Very high89.5Confident103 Ų10344.2 Ų44.248%0.47720%0.2SC..EExtended strand (participates in β ladder)trans-81.5119.5-177.6-66.133000110.6H262 F263 I264 K301 S336H262-H303 WeakPolarHBondContact O-CB 3.46Å; H262-H303 PolarHBondContact O-N 3.23Å; F263-H303 CarbonylContact C-O 3.44Å; F263-H303 WeakPolarHBondContact CA-O 3.09Å; F263-H303 HydrophobicContact CB-CB 4.24Å; F263-H303 WeakPolarHBondContact CB-O 3.41Å; I264-H303 PolarHBondContact N-O 2.97Å; K301-H303 PolarHBondContact O-ND1 2.89Å; H303-S336 WeakPolarHBondContact CA-OG 3.49Å; H303-S336 WeakPolarHBondContact CB-OG 3.4Å; H303-S336 PolarHBondContact CD2-OG 2.96Å; H303-S336 PolarHBondContact CE1-OG 3.1Å; H303-S336 PolarHBondContact ND1-OG 3.17Å; H303-S336 PolarHBondContact NE2-OG 3.46Å
304I95Very high88.7Confident1 Ų144.9 Ų44.91%0.00520%0.204CC..EExtended strand (participates in β ladder)trans-111.9131.1-175.2-52.9-165.6000111.1I264 I266 L293 A296 L297 L306 S336 L337 E338I264-I304 HydrophobicContact CB-CG1 4.26Å; I264-I304 HydrophobicContact CD1-CD1 4.12Å; I264-I304 HydrophobicContact CD1-CG1 4.39Å; I264-I304 VanDerWaalsContact O-CA 3.29Å; I264-I304 WeakPolarHBondContact O-CA 3.21Å; I266-I304 HydrophobicContact CD1-CG2 4.43Å; L293-I304 HydrophobicContact CB-CD1 4.28Å; L293-I304 HydrophobicContact CD2-CD1 3.89Å; A296-I304 HydrophobicContact CB-CD1 4.19Å; L297-I304 HydrophobicContact CD1-CD1 4.15Å; L297-I304 HydrophobicContact CD2-CB 3.95Å; L297-I304 HydrophobicContact CD2-CD1 3.78Å; L297-I304 HydrophobicContact CD2-CG1 3.62Å; L297-I304 HydrophobicContact CG-CD1 3.55Å; L297-I304 HydrophobicContact CG-CG1 4.01Å; I304-L306 HydrophobicContact CG2-CG 4.22Å; I304-S336 PolarHBondContact N-O 3.14Å; I304-L337 HydrophobicContact CB-CD1 3.59Å; I304-L337 HydrophobicContact CG2-CD1 3.6Å; I304-E338 PolarHBondContact O-N 2.73Å
305R95.4Very high88.1Confident48 Ų4845.4 Ų45.418%0.18121%0.209CC..EExtended strand (participates in β ladder)trans-122.7122.1170.8-63.5-174.1168.1156.5-2.3110.6I264 Y265 I266 E338 F408 W412I264-R305 PolarHBondContact O-N 3.06Å; Y265-R305 WeakPolarHBondContact CA-O 3.16Å; Y265-R305 HydrophobicContact CD1-CB 3.61Å; Y265-R305 HydrophobicContact CD1-CG 3.82Å; Y265-R305 HydrophobicContact CE1-CB 4.08Å; Y265-R305 HydrophobicContact CE1-CG 3.74Å; Y265-R305 HydrophobicContact CG-CB 4.39Å; I266-R305 PolarHBondContact N-O 2.82Å; R305-E338 WeakPolarHBondContact CA-O 3.37Å; R305-E338 HydrophobicContact CG-CB 4.32Å; R305-E338 IonicContact CZ-OE1 3.82Å; R305-E338 IonicContact NE-OE1 2.85Å; R305-E338 PolarHBondContact NE-OE1 2.71Å; R305-E338 IonicContact NE-OE2 3.02Å; R305-E338 IonicContact NH2-OE1 3.58Å; R305-E338 PolarHBondContact NH2-OE1 2.73Å; R305-F408 HydrophobicContact CB-CE1 3.75Å; R305-F408 HydrophobicContact CB-CZ 3.72Å; R305-W412 HydrophobicContact CB-CE3 4.23Å; R305-W412 HydrophobicContact CB-CH2 3.88Å; R305-W412 HydrophobicContact CB-CZ2 4.23Å; R305-W412 HydrophobicContact CB-CZ3 3.88Å; R305-W412 HydrophobicContact CG-CH2 4.17Å; R305-W412 HydrophobicContact CG-CZ2 4.05Å
306L94.4Very high87.6Confident0 Ų044.9 Ų44.90%021%0.213CC..EExtended strand (participates in β ladder)trans-108.6113.3178.5-66.8165.7000109.5I266 I304 I308 L325 L337 E338 A339 K340 W412I266-L306 HydrophobicContact CB-CD2 3.96Å; I266-L306 HydrophobicContact CD1-CD2 3.6Å; I266-L306 HydrophobicContact CG1-CD2 4.4Å; I266-L306 HydrophobicContact CG2-CD2 4.21Å; I304-L306 HydrophobicContact CG2-CG 4.22Å; L306-I308 HydrophobicContact CB-CD1 4.39Å; L306-L325 HydrophobicContact CD1-CD1 4.19Å; L306-L337 HydrophobicContact CD1-CD1 4.04Å; L306-L337 HydrophobicContact CG-CD1 4.47Å; L306-E338 PolarHBondContact N-O 2.85Å; L306-A339 HydrophobicContact CB-CB 4.08Å; L306-A339 CarbonylContact O-C 3.58Å; L306-A339 WeakPolarHBondContact O-CA 3.47Å; L306-K340 PolarHBondContact O-N 3.15Å; L306-W412 WeakPolarHBondContact O-CZ3 3.23Å
307L93.3Very high87Confident0 Ų047.2 Ų47.20%023%0.225CC..EExtended strand (participates in β ladder)trans-104.6111.5171.2-171.471.5000108.6I266 S267 T268 K340 F342 F408 D411 W412 A417I266-L307 PolarHBondContact O-N 3.12Å; S267-L307 WeakPolarHBondContact CA-O 3.42Å; T268-L307 PolarHBondContact N-O 3.47Å; L307-K340 WeakPolarHBondContact CA-O 3.12Å; L307-K340 HydrophobicContact CD1-CB 4.09Å; L307-F342 HydrophobicContact CD1-CB 4.14Å; L307-F342 HydrophobicContact CD1-CD2 4.23Å; L307-F342 HydrophobicContact CD2-CD2 4.04Å; L307-F342 HydrophobicContact CG-CB 4.24Å; L307-F342 HydrophobicContact CG-CD2 4.44Å; L307-F408 HydrophobicContact CB-CE2 3.71Å; L307-F408 HydrophobicContact CB-CZ 4.05Å; L307-D411 HydrophobicContact CD2-CB 3.83Å; L307-W412 HydrophobicContact CB-CE3 4.22Å; L307-W412 HydrophobicContact CB-CZ3 4.35Å; L307-W412 HydrophobicContact CD1-CE3 4.11Å; L307-W412 HydrophobicContact CD1-CZ3 4.47Å; L307-A417 HydrophobicContact CD1-CB 3.86Å
308I91.8Very high86.7Confident1 Ų147.1 Ų47.11%0.00523%0.225CC..EExtended strand (participates in β ladder)trans-117136.3-173.4-62.9167.3000109.6T268 I269 L306 T318 I322 K340 F341 F342T268-I308 HydrophobicContact CG2-CG1 4.07Å; T268-I308 WeakPolarHBondContact O-CA 3.12Å; I269-I308 WeakPolarHBondContact O-CG2 3.39Å; L306-I308 HydrophobicContact CB-CD1 4.39Å; I308-T318 HydrophobicContact CG2-CG2 4.26Å; I308-I322 HydrophobicContact CD1-CD1 3.27Å; I308-I322 HydrophobicContact CD1-CG1 3.76Å; I308-K340 PolarHBondContact N-O 3.12Å; I308-F341 HydrophobicContact CB-CD1 4.1Å; I308-F341 HydrophobicContact CB-CE1 3.93Å; I308-F341 HydrophobicContact CG2-CD1 4.1Å; I308-F341 HydrophobicContact CG2-CE1 3.67Å; I308-F341 CarbonylContact O-C 3.59Å; I308-F341 WeakPolarHBondContact O-CA 3.42Å; I308-F342 PolarHBondContact O-N 2.88Å
309S89.1Confident86.4Confident0 Ų045.1 Ų45.10%021%0.214CC..EExtended strand (participates in β ladder)trans-72140.3-179.8-55.10000112T268 N354T268-S309 PolarHBondContact O-N 2.87Å; T268-S309 VanDerWaalsContact O-N 3.12Å; S309-N354 VanDerWaalsContact CB-O 3.27Å; S309-N354 WeakPolarHBondContact CB-O 3.43Å; S309-N354 WeakPolarHBondContact OG-CB 3.12Å; S309-N354 PolarHBondContact OG-O 3.19Å
310C84.6Confident86.3Confident6 Ų643.7 Ų43.74%0.04121%0.207CC..  trans-110.9105.6178.7179.80000109F341 F342 K343 C428C310-F341 HydrophobicContact CB-CB 4.17Å; C310-F341 HydrophobicContact CB-CD1 4.25Å; C310-F342 WeakPolarHBondContact CB-O 3.49Å; C310-F342 PolarHBondContact N-O 3.14Å; C310-K343 HydrophobicContact CB-CB 4.11Å; C310-C428 VanDerWaalsContact CA-SG 3.51Å; C310-C428 HydrophobicContact CB-CB 4.16Å; C310-C428 WeakPolarHBondContact CB-SG 3.25Å; C310-C428 WeakPolarHBondContact SG-CA 3.4Å; C310-C428 WeakPolarHBondContact SG-CB 2.81Å; C310-C428 CovalentContact SG-SG 2.04Å; C310-C428 PolarHBondContact SG-SG 3.12Å
311W77.6Confident86.1Confident68 Ų6841.3 Ų41.326%0.25820%0.199SC..  trans-137.7172.2-178.471.2-58.4000111.7I269 E313 T314 M353 C428I269-W311 HydrophobicContact CG2-CZ2 4.44Å; W311-E313 VanDerWaalsContact C-N 3.3Å; W311-E313 HydrophobicContact CD2-CB 4.08Å; W311-E313 HydrophobicContact CE3-CB 3.99Å; W311-E313 VanDerWaalsContact CE3-CD 3.49Å; W311-E313 HydrophobicContact CE3-CG 4.28Å; W311-E313 HydrophobicContact CH2-CB 3.59Å; W311-E313 HydrophobicContact CH2-CG 4.03Å; W311-E313 HydrophobicContact CZ2-CB 3.67Å; W311-E313 HydrophobicContact CZ3-CB 3.76Å; W311-E313 HydrophobicContact CZ3-CG 3.86Å; W311-E313 WeakPolarHBondContact CZ3-OE2 3.08Å; W311-E313 PolarHBondContact O-N 3.41Å; W311-T314 PolarHBondContact N-OG1 2.93Å; W311-T314 VanDerWaalsContact O-CB 3.27Å; W311-T314 WeakPolarHBondContact O-CB 3.17Å; W311-T314 PolarHBondContact O-N 2.84Å; W311-T314 PolarHBondContact O-OG1 3.21Å; W311-M353 HydrophobicContact CB-CE 3.76Å; W311-M353 HydrophobicContact CB-CG 4.33Å; W311-M353 HydrophobicContact CB-SD 4.43Å; W311-M353 HydrophobicContact CD2-CE 3.42Å; W311-M353 VanDerWaalsContact CD2-CE 3.42Å; W311-M353 HydrophobicContact CD2-SD 4.11Å; W311-M353 HydrophobicContact CE3-CE 3.08Å; W311-M353 HydrophobicContact CE3-SD 4.25Å; W311-M353 HydrophobicContact CG-CE 3.74Å; W311-M353 HydrophobicContact CG-SD 4.2Å; W311-M353 HydrophobicContact CZ3-CE 3.78Å; W311-C428 VanDerWaalsContact O-CB 3.23Å; W311-C428 WeakPolarHBondContact O-CB 3.34Å
312E71.4Confident86Confident112 Ų11238.2 Ų38.252%0.52319%0.185SC..THydrogen-bonded Turntrans-61.8-35.4-168.1-60.2-173.2164.800113.3T314E312-T314 VanDerWaalsContact C-N 3.29Å; E312-T314 PolarHBondContact O-N 3.11Å
313E75.2Confident85.7Confident119 Ų11942 Ų4256%0.55620%0.199SC*.THydrogen-bonded Turntrans-88.89.1-179.5-61.587.615100113.1W311 H315W311-E313 VanDerWaalsContact C-N 3.3Å; W311-E313 HydrophobicContact CD2-CB 4.08Å; W311-E313 HydrophobicContact CE3-CB 3.99Å; W311-E313 VanDerWaalsContact CE3-CD 3.49Å; W311-E313 HydrophobicContact CE3-CG 4.28Å; W311-E313 HydrophobicContact CH2-CB 3.59Å; W311-E313 HydrophobicContact CH2-CG 4.03Å; W311-E313 HydrophobicContact CZ2-CB 3.67Å; W311-E313 HydrophobicContact CZ3-CB 3.76Å; W311-E313 HydrophobicContact CZ3-CG 3.86Å; W311-E313 WeakPolarHBondContact CZ3-OE2 3.08Å; W311-E313 PolarHBondContact O-N 3.41Å; E313-H315 PolarHBondContact O-N 3.5Å; E313-H315 VanDerWaalsContact O-N 3.08Å
314T77.8Confident85.4Confident15 Ų1539.1 Ų39.19%0.09219%0.191CC..  trans-61.1115.4174.5-52.10000109.7W311 E312 F319W311-T314 PolarHBondContact N-OG1 2.93Å; W311-T314 VanDerWaalsContact O-CB 3.27Å; W311-T314 WeakPolarHBondContact O-CB 3.17Å; W311-T314 PolarHBondContact O-N 2.84Å; W311-T314 PolarHBondContact O-OG1 3.21Å; E312-T314 VanDerWaalsContact C-N 3.29Å; E312-T314 PolarHBondContact O-N 3.11Å; T314-F319 HydrophobicContact CG2-CE2 4.27Å; T314-F319 HydrophobicContact CG2-CZ 4.16Å
315H80.6Confident85.1Confident66 Ų6639.1 Ų39.131%0.30619%0.191SC..  trans-72.7136.1-175.5-167.2-83.1000111.4R272 E313 L317 T318R272-H315 PolarHBondContact NH1-CD2 3.3Å; E313-H315 PolarHBondContact O-N 3.5Å; E313-H315 VanDerWaalsContact O-N 3.08Å; H315-L317 VanDerWaalsContact CE1-CD1 3.48Å; H315-L317 WeakPolarHBondContact CE1-CD1 3.35Å; H315-L317 VanDerWaalsContact CE1-CG 3.46Å; H315-L317 WeakPolarHBondContact CE1-CG 3.35Å; H315-L317 WeakPolarHBondContact ND1-CB 3.1Å; H315-L317 PolarHBondContact ND1-N 3.26Å; H315-L317 VanDerWaalsContact ND1-N 3.2Å; H315-L317 PolarHBondContact O-N 2.7Å; H315-T318 VanDerWaalsContact O-CB 3.26Å; H315-T318 WeakPolarHBondContact O-CB 3.28Å; H315-T318 PolarHBondContact O-N 2.82Å; H315-T318 PolarHBondContact O-OG1 3.19Å
316P81Confident84.8Confident72 Ų7239.6 Ų39.647%0.46819%0.194SC..Hα-helixtrans-57.3-30.1-177.5-28.335.2000115T318 F319P316-T318 PolarHBondContact O-N 3.47Å; P316-F319 WeakPolarHBondContact O-CD2 3.32Å; P316-F319 PolarHBondContact O-N 2.72Å
317L81.6Confident84.4Confident49 Ų4942.1 Ų42.126%0.25721%0.212SC..Hα-helixtrans-63.2-24.2176.7-67.9176.1000114M274 H315 F319 N320 F321M274-L317 HydrophobicContact CE-CD1 3.5Å; M274-L317 VanDerWaalsContact CE-CD1 3.5Å; M274-L317 HydrophobicContact SD-CD1 4.5Å; H315-L317 VanDerWaalsContact CE1-CD1 3.48Å; H315-L317 WeakPolarHBondContact CE1-CD1 3.35Å; H315-L317 VanDerWaalsContact CE1-CG 3.46Å; H315-L317 WeakPolarHBondContact CE1-CG 3.35Å; H315-L317 WeakPolarHBondContact ND1-CB 3.1Å; H315-L317 PolarHBondContact ND1-N 3.26Å; H315-L317 VanDerWaalsContact ND1-N 3.2Å; H315-L317 PolarHBondContact O-N 2.7Å; L317-F319 PolarHBondContact O-N 2.83Å; L317-N320 WeakPolarHBondContact O-CB 3.42Å; L317-N320 PolarHBondContact O-N 3.11Å; L317-F321 HydrophobicContact CB-CD2 4.35Å; L317-F321 HydrophobicContact CB-CE2 4.21Å; L317-F321 VanDerWaalsContact O-CD2 3.24Å; L317-F321 WeakPolarHBondContact O-CD2 3.45Å; L317-F321 PolarHBondContact O-N 2.83Å
318T84.4Confident84Confident0 Ų045 Ų450%023%0.227CC..Hα-helixtrans-55.6-42176-590000110D270 Y271 R272 I308 H315 P316 N320 F321 I322 F341D270-T318 PolarHBondContact OD1-OG1 3.27Å; Y271-T318 WeakPolarHBondContact O-CG2 3.46Å; R272-T318 VanDerWaalsContact CG-OG1 3.24Å; R272-T318 WeakPolarHBondContact CG-OG1 3.42Å; I308-T318 HydrophobicContact CG2-CG2 4.26Å; H315-T318 VanDerWaalsContact O-CB 3.26Å; H315-T318 WeakPolarHBondContact O-CB 3.28Å; H315-T318 PolarHBondContact O-N 2.82Å; H315-T318 PolarHBondContact O-OG1 3.19Å; P316-T318 PolarHBondContact O-N 3.47Å; T318-N320 PolarHBondContact O-N 2.91Å; T318-F321 PolarHBondContact O-N 3.11Å; T318-I322 HydrophobicContact CG2-CD1 3.93Å; T318-I322 VanDerWaalsContact O-CD1 3.23Å; T318-I322 WeakPolarHBondContact O-CD1 3.48Å; T318-I322 VanDerWaalsContact O-CG1 3.24Å; T318-I322 WeakPolarHBondContact O-CG1 3.41Å; T318-I322 PolarHBondContact O-N 3.45Å; T318-I322 VanDerWaalsContact O-N 3.14Å; T318-F341 HydrophobicContact CG2-CE1 4.45Å; T318-F341 HydrophobicContact CG2-CZ 4.47Å
319F84.3Confident83.6Confident18 Ų1845.7 Ų45.78%0.07923%0.232CC..Hα-helixtrans-63.3-40.7175.4-56.3-72.1000113T314 P316 L317 I322 W323 F341 I425 P426T314-F319 HydrophobicContact CG2-CE2 4.27Å; T314-F319 HydrophobicContact CG2-CZ 4.16Å; P316-F319 WeakPolarHBondContact O-CD2 3.32Å; P316-F319 PolarHBondContact O-N 2.72Å; L317-F319 PolarHBondContact O-N 2.83Å; F319-I322 PolarHBondContact O-N 2.77Å; F319-W323 VanDerWaalsContact O-CB 3.29Å; F319-W323 WeakPolarHBondContact O-CB 3.04Å; F319-W323 PolarHBondContact O-N 3.07Å; F319-F341 HydrophobicContact CD1-CD2 4.36Å; F319-F341 HydrophobicContact CD1-CE1 4.06Å; F319-F341 AromaticContact CD1-CE2 3.43Å; F319-F341 HydrophobicContact CD1-CE2 3.43Å; F319-F341 VanDerWaalsContact CD1-CE2 3.43Å; F319-F341 AromaticContact CD1-CZ 3.24Å; F319-F341 HydrophobicContact CD1-CZ 3.24Å; F319-F341 AromaticContact CE1-CD1 3.98Å; F319-F341 HydrophobicContact CE1-CD1 3.98Å; F319-F341 AromaticContact CE1-CD2 3.94Å; F319-F341 HydrophobicContact CE1-CD2 3.94Å; F319-F341 AromaticContact CE1-CE1 3.41Å; F319-F341 HydrophobicContact CE1-CE1 3.41Å; F319-F341 VanDerWaalsContact CE1-CE1 3.41Å; F319-F341 AromaticContact CE1-CE2 3.36Å; F319-F341 HydrophobicContact CE1-CE2 3.36Å; F319-F341 HydrophobicContact CE1-CG 4.21Å; F319-F341 AromaticContact CE1-CZ 3.06Å; F319-F341 HydrophobicContact CE1-CZ 3.06Å; F319-F341 HydrophobicContact CG-CZ 4.32Å; F319-F341 HydrophobicContact CZ-CE1 4.04Å; F319-F341 HydrophobicContact CZ-CZ 4.07Å; F319-I425 HydrophobicContact CD2-CG2 3.65Å; F319-I425 HydrophobicContact CE2-CG2 3.61Å; F319-I425 HydrophobicContact CG-CG2 4.32Å; F319-I425 HydrophobicContact CZ-CG2 4.26Å; F319-P426 VanDerWaalsContact CD1-CD 3.43Å; F319-P426 HydrophobicContact CD1-CG 3.9Å; F319-P426 HydrophobicContact CE1-CB 3.84Å; F319-P426 HydrophobicContact CE1-CG 3.39Å; F319-P426 HydrophobicContact CZ-CB 4.11Å; F319-P426 HydrophobicContact CZ-CG 4.11Å
320N85.8Confident83.1Confident96 Ų9650.8 Ų50.851%0.51326%0.257SS..Hα-helixtrans-65.7-41.2179.7-67.7-10.4000112L317 T318 W323 S324L317-N320 WeakPolarHBondContact O-CB 3.42Å; L317-N320 PolarHBondContact O-N 3.11Å; T318-N320 PolarHBondContact O-N 2.91Å; N320-W323 PolarHBondContact O-N 2.91Å; N320-S324 WeakPolarHBondContact O-CB 3.47Å; N320-S324 PolarHBondContact O-N 2.79Å
321F87.1Confident82.7Confident28 Ų2860 Ų6012%0.12330%0.299CS..Hα-helixtrans-66-43.9177.6-78.2-64.3000111.9Y271 M274 Y285 L317 T318 W323 S324 L325Y271-F321 HydrophobicContact CD1-CB 4.3Å; Y271-F321 HydrophobicContact CE1-CB 4.1Å; M274-F321 HydrophobicContact CB-CE2 4.12Å; M274-F321 HydrophobicContact CB-CZ 4.02Å; Y285-F321 AromaticContact CE2-CE1 3.75Å; Y285-F321 HydrophobicContact CE2-CE1 3.75Å; Y285-F321 HydrophobicContact CE2-CZ 4.29Å; L317-F321 HydrophobicContact CB-CD2 4.35Å; L317-F321 HydrophobicContact CB-CE2 4.21Å; L317-F321 VanDerWaalsContact O-CD2 3.24Å; L317-F321 WeakPolarHBondContact O-CD2 3.45Å; L317-F321 PolarHBondContact O-N 2.83Å; T318-F321 PolarHBondContact O-N 3.11Å; F321-W323 VanDerWaalsContact C-N 3.32Å; F321-W323 PolarHBondContact O-N 2.04Å; F321-S324 WeakPolarHBondContact O-CB 3.24Å; F321-S324 PolarHBondContact O-N 2.85Å; F321-L325 PolarHBondContact O-N 2.97Å
322I88.4Confident82.5Confident0 Ų060.3 Ų60.30%030%0.303CS..Hα-helixtrans-63.7-41.5175.7-61.6156.2000110.7Y271 I308 T318 F319 S324 L325 K326 A339 F341 I420Y271-I322 HydrophobicContact CD1-CG1 4.26Å; I308-I322 HydrophobicContact CD1-CD1 3.27Å; I308-I322 HydrophobicContact CD1-CG1 3.76Å; T318-I322 HydrophobicContact CG2-CD1 3.93Å; T318-I322 VanDerWaalsContact O-CD1 3.23Å; T318-I322 WeakPolarHBondContact O-CD1 3.48Å; T318-I322 VanDerWaalsContact O-CG1 3.24Å; T318-I322 WeakPolarHBondContact O-CG1 3.41Å; T318-I322 PolarHBondContact O-N 3.45Å; T318-I322 VanDerWaalsContact O-N 3.14Å; F319-I322 PolarHBondContact O-N 2.77Å; I322-S324 VanDerWaalsContact C-N 3.3Å; I322-S324 PolarHBondContact O-N 2.74Å; I322-L325 PolarHBondContact O-N 2.66Å; I322-K326 WeakPolarHBondContact O-CB 3.4Å; I322-K326 PolarHBondContact O-N 2.98Å; I322-A339 HydrophobicContact CG2-CB 3.31Å; I322-F341 HydrophobicContact CD1-CE1 4.29Å; I322-F341 HydrophobicContact CD1-CE2 3.84Å; I322-F341 HydrophobicContact CD1-CZ 3.33Å; I322-I420 HydrophobicContact CB-CD1 4.29Å; I322-I420 HydrophobicContact CG2-CD1 3.47Å; I322-I420 VanDerWaalsContact CG2-CD1 3.47Å
323W87.1Confident82.3Confident80 Ų8060 Ų6030%0.30332%0.32SS..Hα-helixtrans-61.5-41176.2-167.9-103.7000111.7F319 N320 F321 L325 K326 S327 M330 I420 T422F319-W323 VanDerWaalsContact O-CB 3.29Å; F319-W323 WeakPolarHBondContact O-CB 3.04Å; F319-W323 PolarHBondContact O-N 3.07Å; N320-W323 PolarHBondContact O-N 2.91Å; F321-W323 VanDerWaalsContact C-N 3.32Å; F321-W323 PolarHBondContact O-N 2.04Å; W323-L325 VanDerWaalsContact C-N 3.31Å; W323-L325 PolarHBondContact O-N 3.14Å; W323-K326 HydrophobicContact CE3-CD 4.37Å; W323-K326 HydrophobicContact CZ3-CD 4.09Å; W323-K326 PolarHBondContact O-N 2.77Å; W323-S327 WeakPolarHBondContact O-CB 3.39Å; W323-S327 PolarHBondContact O-N 3.06Å; W323-S327 PolarHBondContact O-OG 2.71Å; W323-M330 HydrophobicContact CH2-CE 3.49Å; W323-M330 VanDerWaalsContact CH2-CE 3.49Å; W323-M330 HydrophobicContact CZ2-CE 3.32Å; W323-M330 HydrophobicContact CZ3-CE 4.31Å; W323-I420 HydrophobicContact CE3-CG2 4.44Å; W323-T422 HydrophobicContact CH2-CG2 3.35Å; W323-T422 HydrophobicContact CZ2-CG2 4.02Å; W323-T422 HydrophobicContact CZ3-CG2 4.21Å
324S88.6Confident82.3Confident43 Ų4359.9 Ų59.930%0.30132%0.323SS..Hα-helixtrans-62.2-35174.8179.30000113R294 N320 F321 I322 S327R294-S324 PolarHBondContact NH1-O 2.84Å; R294-S324 PolarHBondContact NH1-OG 3.29Å; R294-S324 PolarHBondContact NH2-OG 2.72Å; N320-S324 WeakPolarHBondContact O-CB 3.47Å; N320-S324 PolarHBondContact O-N 2.79Å; F321-S324 WeakPolarHBondContact O-CB 3.24Å; F321-S324 PolarHBondContact O-N 2.85Å; I322-S324 VanDerWaalsContact C-N 3.3Å; I322-S324 PolarHBondContact O-N 2.74Å; S324-S327 PolarHBondContact O-OG 2.85Å; S324-S327 VanDerWaalsContact O-OG 3.08Å
325L88.6Confident82.4Confident1 Ų160 Ų601%0.00532%0.324CS..Hα-helixtrans-71.9-41.4173-68.5172.7000111Y271 L293 R294 L306 F321 I322 W323 L328 L337Y271-L325 HydrophobicContact CE1-CD1 3.83Å; L293-L325 HydrophobicContact CD1-CD1 4.49Å; R294-L325 HydrophobicContact CG-CD2 3.56Å; L306-L325 HydrophobicContact CD1-CD1 4.19Å; F321-L325 PolarHBondContact O-N 2.97Å; I322-L325 PolarHBondContact O-N 2.66Å; W323-L325 VanDerWaalsContact C-N 3.31Å; W323-L325 PolarHBondContact O-N 3.14Å; L325-L328 WeakPolarHBondContact O-CB 3.34Å; L325-L328 PolarHBondContact O-N 3.46Å; L325-L337 HydrophobicContact CB-CD2 3.37Å
326K87.6Confident82.6Confident58 Ų5858.2 Ų58.225%0.25232%0.32SS..Hα-helixtrans-67.2-37.3-178.5-168.8177.9-179.5179.30112.5I322 W323 L328 C329 L337I322-K326 WeakPolarHBondContact O-CB 3.4Å; I322-K326 PolarHBondContact O-N 2.98Å; W323-K326 HydrophobicContact CE3-CD 4.37Å; W323-K326 HydrophobicContact CZ3-CD 4.09Å; W323-K326 PolarHBondContact O-N 2.77Å; K326-L328 PolarHBondContact O-N 2.78Å; K326-C329 PolarHBondContact O-N 2.97Å; K326-C329 VanDerWaalsContact O-N 3.12Å; K326-L337 HydrophobicContact CB-CD2 4.18Å; K326-L337 VanDerWaalsContact N-CD2 3.34Å
327S87.4Confident83.1Confident52 Ų5255.5 Ų55.536%0.36430%0.301SS..Hα-helixtrans-63.5-27.7179.664.30000113W323 S324 C329 M330W323-S327 WeakPolarHBondContact O-CB 3.39Å; W323-S327 PolarHBondContact O-N 3.06Å; W323-S327 PolarHBondContact O-OG 2.71Å; S324-S327 PolarHBondContact O-OG 2.85Å; S324-S327 VanDerWaalsContact O-OG 3.08Å; S327-C329 PolarHBondContact O-N 3.07Å; S327-M330 PolarHBondContact O-N 3.23Å
328L84.8Confident83.5Confident61 Ų6157 Ų5732%0.31931%0.306SS..THydrogen-bonded Turntrans-62.4-27.1175.3-63.7174.8000113.3R294 I298 L325 K326R294-L328 HydrophobicContact CB-CD1 4.35Å; R294-L328 HydrophobicContact CG-CD1 3.66Å; I298-L328 HydrophobicContact CD1-CD1 3.96Å; I298-L328 HydrophobicContact CD1-CD2 4.5Å; L325-L328 WeakPolarHBondContact O-CB 3.34Å; L325-L328 PolarHBondContact O-N 3.46Å; K326-L328 PolarHBondContact O-N 2.78Å
329C83.3Confident83.9Confident16 Ų1657.2 Ų57.211%0.10831%0.308CS..THydrogen-bonded Turntrans-95.8-6.6-178.2-68.50000114K326 S327 E331 Q332 C335K326-C329 PolarHBondContact O-N 2.97Å; K326-C329 VanDerWaalsContact O-N 3.12Å; S327-C329 PolarHBondContact O-N 3.07Å; C329-E331 VanDerWaalsContact C-N 3.32Å; C329-E331 PolarHBondContact O-N 3.08Å; C329-Q332 PolarHBondContact O-N 3.43Å; C329-C335 WeakPolarHBondContact CA-SG 3.44Å; C329-C335 HydrophobicContact CB-CB 3.44Å; C329-C335 VanDerWaalsContact CB-CB 3.44Å; C329-C335 WeakPolarHBondContact CB-SG 3Å; C329-C335 WeakPolarHBondContact SG-CB 3.45Å; C329-C335 CovalentContact SG-SG 2.03Å; C329-C335 PolarHBondContact SG-SG 3.28Å
330M79.2Confident84.2Confident107 Ų10757.9 Ų57.953%0.52731%0.311SS..THydrogen-bonded Turntrans-63.2-34.1-169.6-75.2179.8178.700114W323 S327W323-M330 HydrophobicContact CH2-CE 3.49Å; W323-M330 VanDerWaalsContact CH2-CE 3.49Å; W323-M330 HydrophobicContact CZ2-CE 3.32Å; W323-M330 HydrophobicContact CZ3-CE 4.31Å; S327-M330 PolarHBondContact O-N 3.23Å
331E74.4Confident84.4Confident199 Ų19953.5 Ų53.593%0.9329%0.288SS*.THydrogen-bonded Turntrans-107.15.4-178.4-60.6-164.5164.500113.3C329C329-E331 VanDerWaalsContact C-N 3.32Å; C329-E331 PolarHBondContact O-N 3.08Å
332Q75Confident84.5Confident74 Ų7452.2 Ų52.235%0.34628%0.282SS..  trans-113.8108.2-174.8-167.8165.243.800111.2K301 C329 N334 C335K301-Q332 VanDerWaalsContact NZ-OE1 3.15Å; C329-Q332 PolarHBondContact O-N 3.43Å; Q332-N334 PolarHBondContact O-N 3.23Å; Q332-C335 HydrophobicContact CB-CB 3.88Å; Q332-C335 HydrophobicContact CG-CB 4.12Å; Q332-C335 WeakPolarHBondContact O-CB 3.42Å; Q332-C335 PolarHBondContact O-N 3.28Å
333A66.6Low84.3Confident105 Ų10555.4 Ų55.487%0.86830%0.296SS*.THydrogen-bonded Turntrans-55.4-27.6-175.800000114.7
334N74.6Confident83.7Confident117 Ų11751.8 Ų51.863%0.62628%0.283SS*.THydrogen-bonded Turntrans-10423.3-178.1-63.9-9.1000113.2Q332Q332-N334 PolarHBondContact O-N 3.23Å
335C80.3Confident82.5Confident17 Ų1757.4 Ų57.412%0.11530%0.304CS..  trans-115.6117.3179.4-162.60000110C329 Q332C329-C335 WeakPolarHBondContact CA-SG 3.44Å; C329-C335 HydrophobicContact CB-CB 3.44Å; C329-C335 VanDerWaalsContact CB-CB 3.44Å; C329-C335 WeakPolarHBondContact CB-SG 3Å; C329-C335 WeakPolarHBondContact SG-CB 3.45Å; C329-C335 CovalentContact SG-SG 2.03Å; C329-C335 PolarHBondContact SG-SG 3.28Å; Q332-C335 HydrophobicContact CB-CB 3.88Å; Q332-C335 HydrophobicContact CG-CB 4.12Å; Q332-C335 WeakPolarHBondContact O-CB 3.42Å; Q332-C335 PolarHBondContact O-N 3.28Å
336S85.1Confident81.4Confident30 Ų3059.2 Ų59.221%0.2131%0.311CS..  trans-121.789.2-175.249.40000110.9H303 I304H303-S336 WeakPolarHBondContact CA-OG 3.49Å; H303-S336 WeakPolarHBondContact CB-OG 3.4Å; H303-S336 PolarHBondContact CD2-OG 2.96Å; H303-S336 PolarHBondContact CE1-OG 3.1Å; H303-S336 PolarHBondContact ND1-OG 3.17Å; H303-S336 PolarHBondContact NE2-OG 3.46Å; I304-S336 PolarHBondContact N-O 3.14Å
337L90.8Very high79.6Confident15 Ų1564.6 Ų64.68%0.07934%0.343CS..EExtended strand (participates in β ladder)trans-111.2120.4167.2-177.572.8000110.3L297 I304 L306 L325 K326L297-L337 HydrophobicContact CD1-CB 4.33Å; L297-L337 HydrophobicContact CD1-CD1 4.17Å; L297-L337 HydrophobicContact CD1-CD2 4.31Å; L297-L337 HydrophobicContact CD2-CB 3.92Å; L297-L337 HydrophobicContact CD2-CD1 4.29Å; I304-L337 HydrophobicContact CB-CD1 3.59Å; I304-L337 HydrophobicContact CG2-CD1 3.6Å; L306-L337 HydrophobicContact CD1-CD1 4.04Å; L306-L337 HydrophobicContact CG-CD1 4.47Å; L325-L337 HydrophobicContact CB-CD2 3.37Å; K326-L337 HydrophobicContact CB-CD2 4.18Å; K326-L337 VanDerWaalsContact N-CD2 3.34Å
338E91.4Very high78Confident79 Ų7965 Ų6537%0.36935%0.346SS..EExtended strand (participates in β ladder)trans-116.4138.6170-55.1175.4-118.700109.9I304 R305 L306 W412I304-E338 PolarHBondContact O-N 2.73Å; R305-E338 WeakPolarHBondContact CA-O 3.37Å; R305-E338 HydrophobicContact CG-CB 4.32Å; R305-E338 IonicContact CZ-OE1 3.82Å; R305-E338 IonicContact NE-OE1 2.85Å; R305-E338 PolarHBondContact NE-OE1 2.71Å; R305-E338 IonicContact NE-OE2 3.02Å; R305-E338 IonicContact NH2-OE1 3.58Å; R305-E338 PolarHBondContact NH2-OE1 2.73Å; L306-E338 PolarHBondContact N-O 2.85Å; E338-W412 HydrophobicContact CB-CH2 3.72Å; E338-W412 HydrophobicContact CB-CZ2 3.53Å; E338-W412 HydrophobicContact CG-CZ2 4.43Å; E338-W412 WeakPolarHBondContact OE2-CZ2 3.42Å
339A91.3Very high76.5Confident5 Ų569.2 Ų69.24%0.04137%0.368CS..EExtended strand (participates in β ladder)trans-134.8133.4174.400000110.6L306 I322 I420L306-A339 HydrophobicContact CB-CB 4.08Å; L306-A339 CarbonylContact O-C 3.58Å; L306-A339 WeakPolarHBondContact O-CA 3.47Å; I322-A339 HydrophobicContact CG2-CB 3.31Å; A339-I420 HydrophobicContact CB-CD1 3.97Å
340K91.8Very high75.2Confident32 Ų3271.2 Ų71.214%0.13938%0.378CS..EExtended strand (participates in β ladder)trans-132.3149178.6-69.3-174.4-177.8-174.60110.6L306 L307 I308 W412 A417 N418L306-K340 PolarHBondContact O-N 3.15Å; L307-K340 WeakPolarHBondContact CA-O 3.12Å; L307-K340 HydrophobicContact CD1-CB 4.09Å; I308-K340 PolarHBondContact N-O 3.12Å; K340-W412 HydrophobicContact CB-CE3 4.35Å; K340-W412 HydrophobicContact CB-CH2 4Å; K340-W412 HydrophobicContact CB-CZ3 3.83Å; K340-W412 HydrophobicContact CD-CD2 3.99Å; K340-W412 HydrophobicContact CD-CE3 4.14Å; K340-W412 HydrophobicContact CD-CH2 3.96Å; K340-W412 HydrophobicContact CD-CZ2 3.78Å; K340-W412 HydrophobicContact CD-CZ3 4.13Å; K340-W412 HydrophobicContact CG-CE3 4.43Å; K340-W412 HydrophobicContact CG-CH2 3.62Å; K340-W412 HydrophobicContact CG-CZ2 3.85Å; K340-W412 HydrophobicContact CG-CZ3 3.93Å; K340-W412 PolarHBondContact NZ-O 3.35Å; K340-A417 HydrophobicContact CB-CB 4.29Å; K340-A417 HydrophobicContact CD-CB 3.8Å; K340-N418 CarbonylContact C-O 3.55Å; K340-N418 VanDerWaalsContact CA-O 3.26Å; K340-N418 WeakPolarHBondContact CA-O 3.36Å
341F89.5Confident74.2Confident4 Ų468.4 Ų68.42%0.01837%0.369CS..EExtended strand (participates in β ladder)trans-102.2124174.4-78.3-86.7000110.5I308 C310 T318 F319 I322 K343 N418 I420 P426I308-F341 HydrophobicContact CB-CD1 4.1Å; I308-F341 HydrophobicContact CB-CE1 3.93Å; I308-F341 HydrophobicContact CG2-CD1 4.1Å; I308-F341 HydrophobicContact CG2-CE1 3.67Å; I308-F341 CarbonylContact O-C 3.59Å; I308-F341 WeakPolarHBondContact O-CA 3.42Å; C310-F341 HydrophobicContact CB-CB 4.17Å; C310-F341 HydrophobicContact CB-CD1 4.25Å; T318-F341 HydrophobicContact CG2-CE1 4.45Å; T318-F341 HydrophobicContact CG2-CZ 4.47Å; F319-F341 HydrophobicContact CD1-CD2 4.36Å; F319-F341 HydrophobicContact CD1-CE1 4.06Å; F319-F341 AromaticContact CD1-CE2 3.43Å; F319-F341 HydrophobicContact CD1-CE2 3.43Å; F319-F341 VanDerWaalsContact CD1-CE2 3.43Å; F319-F341 AromaticContact CD1-CZ 3.24Å; F319-F341 HydrophobicContact CD1-CZ 3.24Å; F319-F341 AromaticContact CE1-CD1 3.98Å; F319-F341 HydrophobicContact CE1-CD1 3.98Å; F319-F341 AromaticContact CE1-CD2 3.94Å; F319-F341 HydrophobicContact CE1-CD2 3.94Å; F319-F341 AromaticContact CE1-CE1 3.41Å; F319-F341 HydrophobicContact CE1-CE1 3.41Å; F319-F341 VanDerWaalsContact CE1-CE1 3.41Å; F319-F341 AromaticContact CE1-CE2 3.36Å; F319-F341 HydrophobicContact CE1-CE2 3.36Å; F319-F341 HydrophobicContact CE1-CG 4.21Å; F319-F341 AromaticContact CE1-CZ 3.06Å; F319-F341 HydrophobicContact CE1-CZ 3.06Å; F319-F341 HydrophobicContact CG-CZ 4.32Å; F319-F341 HydrophobicContact CZ-CE1 4.04Å; F319-F341 HydrophobicContact CZ-CZ 4.07Å; I322-F341 HydrophobicContact CD1-CE1 4.29Å; I322-F341 HydrophobicContact CD1-CE2 3.84Å; I322-F341 HydrophobicContact CD1-CZ 3.33Å; F341-K343 PolarHBondContact O-N 3.5Å; F341-N418 PolarHBondContact N-O 3.33Å; F341-N418 PolarHBondContact O-N 3.25Å; F341-I420 HydrophobicContact CD2-CD1 4.1Å; F341-I420 HydrophobicContact CD2-CG1 3.64Å; F341-I420 HydrophobicContact CE2-CD1 3.52Å; F341-I420 HydrophobicContact CE2-CG1 3.53Å; F341-P426 HydrophobicContact CD2-CG 4.19Å; F341-P426 HydrophobicContact CE2-CG 4.49Å
342F88.3Confident73.9Confident2 Ų259 Ų591%0.00933%0.325CS..EExtended strand (participates in β ladder)trans-83.9111176.5-162.8-83.6000109.2M37 L307 I308 C310 V344 N354 D411 Y416M37-F342 HydrophobicContact CE-CE1 3.66Å; M37-F342 HydrophobicContact CE-CZ 4.06Å; M37-F342 HydrophobicContact SD-CE1 4.31Å; M37-F342 HydrophobicContact SD-CZ 4.09Å; L307-F342 HydrophobicContact CD1-CB 4.14Å; L307-F342 HydrophobicContact CD1-CD2 4.23Å; L307-F342 HydrophobicContact CD2-CD2 4.04Å; L307-F342 HydrophobicContact CG-CB 4.24Å; L307-F342 HydrophobicContact CG-CD2 4.44Å; I308-F342 PolarHBondContact O-N 2.88Å; C310-F342 WeakPolarHBondContact CB-O 3.49Å; C310-F342 PolarHBondContact N-O 3.14Å; F342-V344 HydrophobicContact CD1-CG2 4.14Å; F342-V344 HydrophobicContact CE1-CG2 3.74Å; F342-N354 HydrophobicContact CB-CB 4.34Å; F342-N354 HydrophobicContact CD1-CB 3.57Å; F342-N354 HydrophobicContact CE1-CB 4.04Å; F342-N354 HydrophobicContact CG-CB 4.02Å; F342-D411 HydrophobicContact CE2-CB 4.11Å; F342-Y416 WeakPolarHBondContact CA-O 3.4Å; F342-Y416 HydrophobicContact CE1-CG 4.49Å; F342-Y416 HydrophobicContact CE2-CG 4.47Å; F342-Y416 VanDerWaalsContact CZ-CB 3.5Å; F342-Y416 HydrophobicContact CZ-CD2 4.25Å; F342-Y416 HydrophobicContact CZ-CG 4.03Å
343K84Confident74.1Confident66 Ų6656.7 Ų56.729%0.28732%0.315SS..  trans-123.2125.8-178.6-175.1174.9-178.9172.60110C310 F341 Y416 V427C310-K343 HydrophobicContact CB-CB 4.11Å; F341-K343 PolarHBondContact O-N 3.5Å; K343-Y416 PolarHBondContact N-O 3.13Å; K343-V427 PolarHBondContact NZ-O 3.02Å
344V75.4Confident75.1Confident4 Ų451.8 Ų51.82%0.02427%0.273CS..  trans-100.3116172.2-164.20000107.1M37 F342 G352M37-V344 HydrophobicContact CE-CB 4.27Å; M37-V344 HydrophobicContact CE-CG1 3.97Å; M37-V344 HydrophobicContact CE-CG2 3.26Å; F342-V344 HydrophobicContact CD1-CG2 4.14Å; F342-V344 HydrophobicContact CE1-CG2 3.74Å; V344-G352 WeakPolarHBondContact CB-O 3.38Å; V344-G352 VanDerWaalsContact CG2-O 3.24Å; V344-G352 WeakPolarHBondContact CG2-O 3.4Å
345Q63.9Low75.7Confident161 Ų16147.7 Ų47.775%0.75225%0.251SS*.  trans-87124174.4-68.8-171.740.700109
346R64.1Low76.2Confident39 Ų3946.9 Ų46.915%0.14725%0.245CC..  trans-127144.7171.2-79178.6-176.7155.616.3111D36 T168 S348 L350 G352D36-R346 IonicContact OD1-CZ 3.95Å; D36-R346 IonicContact OD1-NE 3.98Å; D36-R346 IonicContact OD1-NH2 3.09Å; D36-R346 PolarHBondContact OD1-NH2 2.85Å; D36-R346 VanDerWaalsContact OD1-NH2 3.09Å; D36-R346 IonicContact OD2-CZ 3.39Å; D36-R346 IonicContact OD2-NE 2.74Å; D36-R346 PolarHBondContact OD2-NE 2.93Å; D36-R346 IonicContact OD2-NH2 3.11Å; D36-R346 PolarHBondContact OD2-NH2 2.9Å; D36-R346 VanDerWaalsContact OD2-NH2 3.11Å; T168-R346 PolarHBondContact O-NH1 3.12Å; T168-R346 PolarHBondContact O-NH2 3.44Å; R346-S348 VanDerWaalsContact C-N 3.34Å; R346-L350 WeakPolarHBondContact CD-O 3.48Å; R346-L350 PolarHBondContact NH1-O 3.2Å; R346-G352 VanDerWaalsContact CZ-CA 3.5Å
347D50.4Low76.6Confident172 Ų17246.4 Ų46.492%0.9224%0.239SC*.SBendtrans-75-25.8171.4-75.1-31.1000111.9
348S54Low76.8Confident61 Ų6145.8 Ų45.843%0.42724%0.235SC..SBendtrans-84.3159.6175.462.30000113.3R346 L350R346-S348 VanDerWaalsContact C-N 3.34Å; S348-L350 PolarHBondContact O-N 3.02Å
349D52.8Low77Confident149 Ų14942 Ų4280%0.79722%0.218SC*.SBendtrans-67.7-10.2-178.7-64.9-32.1000114.2S351D349-S351 PolarHBondContact O-N 3.28Å
350L55.8Low77.3Confident57 Ų5741.8 Ų41.830%0.29822%0.216SC..SBendtrans-87.383.8175.7-68.4172.9000110.5Y83 R346 S348 G352Y83-L350 HydrophobicContact CE2-CD1 4.3Å; R346-L350 WeakPolarHBondContact CD-O 3.48Å; R346-L350 PolarHBondContact NH1-O 3.2Å; S348-L350 PolarHBondContact O-N 3.02Å; L350-G352 PolarHBondContact O-N 3Å
351S59.2Low77.4Confident49 Ų4940.2 Ų40.234%0.34321%0.209SC..  trans-59.4122.9176.4-168.60000111.3D349D349-S351 PolarHBondContact O-N 3.28Å
352G68.3Low77.4Confident1 Ų141.9 Ų41.91%0.0122%0.218CC..  trans-70.2134.8176.600000110.8V169 V344 R346 L350V169-G352 VanDerWaalsContact O-CA 3.25Å; V169-G352 WeakPolarHBondContact O-CA 3.39Å; V344-G352 WeakPolarHBondContact CB-O 3.38Å; V344-G352 VanDerWaalsContact CG2-O 3.24Å; V344-G352 WeakPolarHBondContact CG2-O 3.4Å; R346-G352 VanDerWaalsContact CZ-CA 3.5Å; L350-G352 PolarHBondContact O-N 3Å
353M78.9Confident77.5Confident26 Ų2643.6 Ų43.613%0.12823%0.225CC..EExtended strand (participates in β ladder)trans-123.2140-176.5-166.9-170.8-55.200111.1V169 M170 K171 I269 W311V169-M353 PolarHBondContact O-N 3.28Å; M170-M353 WeakPolarHBondContact CA-O 3.38Å; K171-M353 PolarHBondContact N-O 3.14Å; I269-M353 HydrophobicContact CD1-SD 4.09Å; I269-M353 HydrophobicContact CG2-SD 4.08Å; W311-M353 HydrophobicContact CB-CE 3.76Å; W311-M353 HydrophobicContact CB-CG 4.33Å; W311-M353 HydrophobicContact CB-SD 4.43Å; W311-M353 HydrophobicContact CD2-CE 3.42Å; W311-M353 VanDerWaalsContact CD2-CE 3.42Å; W311-M353 HydrophobicContact CD2-SD 4.11Å; W311-M353 HydrophobicContact CE3-CE 3.08Å; W311-M353 HydrophobicContact CE3-SD 4.25Å; W311-M353 HydrophobicContact CG-CE 3.74Å; W311-M353 HydrophobicContact CG-SD 4.2Å; W311-M353 HydrophobicContact CZ3-CE 3.78Å
354N86.2Confident78Confident1 Ų140.5 Ų40.51%0.00521%0.211CC..EExtended strand (participates in β ladder)trans-81.3113.5162.3179.87.7000108.7S267 S309 F342 N356S267-N354 PolarHBondContact OG-ND2 3.38Å; S309-N354 VanDerWaalsContact CB-O 3.27Å; S309-N354 WeakPolarHBondContact CB-O 3.43Å; S309-N354 WeakPolarHBondContact OG-CB 3.12Å; S309-N354 PolarHBondContact OG-O 3.19Å; F342-N354 HydrophobicContact CB-CB 4.34Å; F342-N354 HydrophobicContact CD1-CB 3.57Å; F342-N354 HydrophobicContact CE1-CB 4.04Å; F342-N354 HydrophobicContact CG-CB 4.02Å; N354-N356 WeakPolarHBondContact OD1-CB 3.34Å; N354-N356 PolarHBondContact OD1-N 3.29Å; N354-N356 VanDerWaalsContact OD1-N 3.08Å; N354-N356 PolarHBondContact OD1-ND2 3.44Å
355H88.4Confident78.9Confident31 Ų3140.3 Ų40.314%0.14421%0.21CC..  trans-1047.4-176.7-163.1-105.5000111.5S158 K171 E172 I269 R357S158-H355 WeakPolarHBondContact CB-O 3.32Å; S158-H355 PolarHBondContact O-CE1 3.18Å; S158-H355 PolarHBondContact O-ND1 2.91Å; K171-H355 WeakPolarHBondContact O-CA 3.03Å; K171-H355 PolarHBondContact O-N 3.2Å; E172-H355 IonicContact OE1-CE1 3.91Å; E172-H355 IonicContact OE1-CG 3.51Å; E172-H355 IonicContact OE1-ND1 3.07Å; E172-H355 PolarHBondContact OE1-ND1 2.87Å; E172-H355 WeakPolarHBondContact OE2-CB 3.21Å; E172-H355 IonicContact OE2-CG 3.64Å; E172-H355 IonicContact OE2-ND1 3.66Å; E172-H355 PolarHBondContact OE2-ND1 3.03Å; I269-H355 HydrophobicContact CD1-CB 4.1Å; I269-H355 WeakPolarHBondContact CD1-CD2 3.23Å; H355-R357 PolarHBondContact CE1-NH1 3.02Å; H355-R357 PolarHBondContact ND1-NH1 3.19Å; H355-R357 PolarHBondContact NE2-NH1 3.34Å; H355-R357 PolarHBondContact NE2-NH2 3.08Å; H355-R357 PolarHBondContact O-N 2.85Å; H355-R357 PolarHBondContact O-NH1 3.07Å
356N90.7Very high80.5Confident0 Ų032.7 Ų32.70%017%0.174CC..  trans-65.4132.2-179.6-64.7-10.8000112.1K171 E172 L173 S267 N354 F358K171-N356 PolarHBondContact O-OD1 3.04Å; E172-N356 WeakPolarHBondContact CA-OD1 3.22Å; L173-N356 HydrophobicContact CB-CB 4.39Å; L173-N356 VanDerWaalsContact CB-OD1 3.31Å; L173-N356 WeakPolarHBondContact CB-OD1 3.19Å; L173-N356 PolarHBondContact N-OD1 2.88Å; L173-N356 VanDerWaalsContact N-OD1 3.11Å; S267-N356 CarbonylContact C-O 3.46Å; S267-N356 VanDerWaalsContact O-O 3.11Å; N354-N356 WeakPolarHBondContact OD1-CB 3.34Å; N354-N356 PolarHBondContact OD1-N 3.29Å; N354-N356 VanDerWaalsContact OD1-N 3.08Å; N354-N356 PolarHBondContact OD1-ND2 3.44Å; N356-F358 HydrophobicContact CB-CD1 3.95Å; N356-F358 HydrophobicContact CB-CE1 3.94Å
357R92.7Very high82Confident21 Ų2131 Ų318%0.07917%0.168CC..  trans-127.989.7175.5-69.9171-170.389.8-14.4109.6S267 I269 H355 G368 N369 D371S267-R357 WeakPolarHBondContact O-CA 3.49Å; I269-R357 VanDerWaalsContact CD1-CZ 3.4Å; H355-R357 PolarHBondContact CE1-NH1 3.02Å; H355-R357 PolarHBondContact ND1-NH1 3.19Å; H355-R357 PolarHBondContact NE2-NH1 3.34Å; H355-R357 PolarHBondContact NE2-NH2 3.08Å; H355-R357 PolarHBondContact O-N 2.85Å; H355-R357 PolarHBondContact O-NH1 3.07Å; R357-G368 WeakPolarHBondContact CB-O 3.48Å; R357-G368 PolarHBondContact O-N 3.06Å; R357-N369 VanDerWaalsContact CD-C 3.44Å; R357-N369 VanDerWaalsContact CD-O 3.23Å; R357-N369 WeakPolarHBondContact CD-O 3.17Å; R357-N369 PolarHBondContact NE-O 3.29Å; R357-D371 IonicContact CZ-OD1 3.91Å; R357-D371 IonicContact CZ-OD2 2.72Å; R357-D371 VanDerWaalsContact NE-CG 3.26Å; R357-D371 IonicContact NE-OD1 3.89Å; R357-D371 PolarHBondContact NE-OD1 3.44Å; R357-D371 IonicContact NE-OD2 3.78Å; R357-D371 PolarHBondContact NE-OD2 3.31Å; R357-D371 IonicContact NH2-OD1 3.03Å; R357-D371 IonicContact NH2-OD2 3.75Å; R357-D371 PolarHBondContact NH2-OD2 3.33Å; R357-D371 VanDerWaalsContact NH2-OD2 3.15Å
358F95.4Very high84.1Confident1 Ų122.8 Ų22.80%0.00412%0.124CC..EExtended strand (participates in β ladder)trans-149.7157.9177.773.7-85.7000111.8L173 S267 N356 V360 Y366 I367 L404 V407 F408L173-F358 HydrophobicContact CD2-CB 4.48Å; L173-F358 HydrophobicContact CD2-CD1 3.28Å; L173-F358 HydrophobicContact CD2-CE1 3.46Å; L173-F358 VanDerWaalsContact CD2-CE1 3.46Å; L173-F358 HydrophobicContact CD2-CG 3.88Å; L173-F358 HydrophobicContact CD2-CZ 4.19Å; S267-F358 VanDerWaalsContact CB-CE1 3.41Å; S267-F358 PolarHBondContact N-O 3.41Å; S267-F358 PolarHBondContact O-N 3.02Å; N356-F358 HydrophobicContact CB-CD1 3.95Å; N356-F358 HydrophobicContact CB-CE1 3.94Å; F358-V360 HydrophobicContact CD2-CG1 4.49Å; F358-V360 HydrophobicContact CE2-CG1 4.09Å; F358-Y366 CarbonylContact C-O 3.03Å; F358-Y366 WeakPolarHBondContact CA-O 3.45Å; F358-Y366 WeakPolarHBondContact CB-O 3.37Å; F358-I367 HydrophobicContact CB-CG1 4.38Å; F358-L404 HydrophobicContact CD2-CD2 4.31Å; F358-L404 HydrophobicContact CE2-CD2 4.44Å; F358-V407 HydrophobicContact CZ-CG1 4.48Å; F358-F408 HydrophobicContact CE2-CB 4.06Å; F358-F408 HydrophobicContact CE2-CD2 4.25Å; F358-F408 HydrophobicContact CZ-CB 4.02Å; F358-F408 HydrophobicContact CZ-CD2 4.07Å
359M96.6Very high85.9Confident0 Ų020.2 Ų20.20%011%0.106CC..EExtended strand (participates in β ladder)trans-128.4134.6170.6170.9178.651.900108.7I253 V256 I257 I264 Y265 I266 T361 V365 Y366 W372I253-M359 HydrophobicContact CB-CE 4.4Å; I253-M359 HydrophobicContact CG2-CE 3.97Å; V256-M359 HydrophobicContact CB-CE 3.61Å; V256-M359 HydrophobicContact CG1-CE 3.43Å; V256-M359 VanDerWaalsContact CG1-CE 3.43Å; V256-M359 HydrophobicContact CG1-CG 4.49Å; V256-M359 HydrophobicContact CG1-SD 4.21Å; I257-M359 HydrophobicContact CD1-SD 4.27Å; I257-M359 HydrophobicContact CG1-CE 4Å; I257-M359 HydrophobicContact CG1-SD 3.59Å; I257-M359 VanDerWaalsContact CG1-SD 3.59Å; I264-M359 HydrophobicContact CG2-CG 4.02Å; I264-M359 HydrophobicContact CG2-SD 3.75Å; Y265-M359 CarbonylContact O-C 3.55Å; Y265-M359 VanDerWaalsContact O-CA 3.29Å; Y265-M359 WeakPolarHBondContact O-CA 3.38Å; I266-M359 HydrophobicContact CG1-CB 4.17Å; I266-M359 HydrophobicContact CG1-CG 3.88Å; I266-M359 HydrophobicContact CG1-SD 4.2Å; M359-T361 HydrophobicContact CG-CG2 4.33Å; M359-V365 CarbonylContact O-C 3.52Å; M359-V365 WeakPolarHBondContact O-CA 3.43Å; M359-V365 WeakPolarHBondContact O-CG2 3.36Å; M359-Y366 PolarHBondContact N-O 3.45Å; M359-Y366 PolarHBondContact O-N 3.39Å; M359-W372 HydrophobicContact CB-CH2 4.25Å; M359-W372 HydrophobicContact CB-CZ2 3.94Å; M359-W372 HydrophobicContact CE-CH2 4.28Å; M359-W372 HydrophobicContact CE-CZ2 4.27Å; M359-W372 HydrophobicContact CG-CH2 4.36Å; M359-W372 HydrophobicContact SD-CH2 3.64Å; M359-W372 HydrophobicContact SD-CZ2 4.09Å
360V96.1Very high87.8Confident0 Ų013.1 Ų13.10%07%0.068CC..EExtended strand (participates in β ladder)trans-125.4135.1175.360.40000110.2Y265 F358 V365 V401 L404 Q405 F408Y265-V360 HydrophobicContact CD2-CG1 4.18Å; Y265-V360 HydrophobicContact CG-CG1 4.41Å; Y265-V360 PolarHBondContact N-O 3.05Å; Y265-V360 PolarHBondContact O-N 2.98Å; F358-V360 HydrophobicContact CD2-CG1 4.49Å; F358-V360 HydrophobicContact CE2-CG1 4.09Å; V360-V365 HydrophobicContact CB-CG2 3.63Å; V360-V365 HydrophobicContact CG2-CG2 3.74Å; V360-V401 HydrophobicContact CG2-CG1 4Å; V360-L404 HydrophobicContact CG2-CB 4.46Å; V360-Q405 HydrophobicContact CG2-CB 4.03Å; V360-F408 HydrophobicContact CG1-CB 4.29Å
361T94.9Very high89.4Confident0 Ų011.3 Ų11.30%06%0.059CC..EExtended strand (participates in β ladder)trans-124.5-179.3178.968.40000109.4V256 A260 F263 I264 M359 R363 A364 V401V256-T361 HydrophobicContact CG1-CG2 3.65Å; A260-T361 HydrophobicContact CB-CG2 3.77Å; F263-T361 VanDerWaalsContact CE2-C 3.43Å; F263-T361 VanDerWaalsContact CZ-C 3.41Å; F263-T361 WeakPolarHBondContact CZ-O 3.3Å; F263-T361 WeakPolarHBondContact O-CA 3.38Å; I264-T361 HydrophobicContact CG1-CG2 4.08Å; I264-T361 HydrophobicContact CG2-CG2 4.5Å; M359-T361 HydrophobicContact CG-CG2 4.33Å; T361-R363 PolarHBondContact O-N 3.09Å; T361-R363 PolarHBondContact OG1-N 3.17Å; T361-A364 PolarHBondContact N-O 3.02Å; T361-A364 PolarHBondContact OG1-N 3.02Å; T361-A364 PolarHBondContact OG1-O 3.11Å; T361-V401 WeakPolarHBondContact O-CG1 3.36Å
362D90.2Very high90.8Very high38 Ų389 Ų920%0.2034%0.042CC..SBendtrans-65.8-15.6174.753.5-67.4000114.1A260 R261 H262 F263A260-D362 WeakPolarHBondContact CA-OD1 3.33Å; R261-D362 WeakPolarHBondContact CB-OD2 3.39Å; R261-D362 PolarHBondContact N-OD1 3.23Å; R261-D362 PolarHBondContact N-OD2 2.74Å; H262-D362 HydrophobicContact CB-CB 4.22Å; H262-D362 IonicContact CD2-OD2 2.75Å; H262-D362 PolarHBondContact N-OD1 3.44Å; H262-D362 VanDerWaalsContact N-OD1 3.08Å; F263-D362 HydrophobicContact CD1-CB 4.13Å; F263-D362 HydrophobicContact CE1-CB 3.72Å; F263-D362 HydrophobicContact CZ-CB 4.25Å
363R89.8Confident91.7Very high39 Ų399.1 Ų9.115%0.1474%0.043CC..SBendtrans-127.5-26.7-172.8-64.9-178.460.398.511.3114.9Q259 T361 S388 H389 E391Q259-R363 WeakPolarHBondContact O-CD 3.36Å; T361-R363 PolarHBondContact O-N 3.09Å; T361-R363 PolarHBondContact OG1-N 3.17Å; R363-S388 WeakPolarHBondContact O-CA 3.11Å; R363-H389 PolarHBondContact NH2-O 2.84Å; R363-H389 PolarHBondContact O-N 3.24Å; R363-E391 VanDerWaalsContact NH2-CG 3.27Å
364A93.8Very high91.8Very high0 Ų07.9 Ų7.90%04%0.036CC..EExtended strand (participates in β ladder)trans-147.4155.6-169.400000112.2V256 T361 I387V256-A364 HydrophobicContact CG1-CB 4.06Å; V256-A364 HydrophobicContact CG2-CB 4.19Å; T361-A364 PolarHBondContact N-O 3.02Å; T361-A364 PolarHBondContact OG1-N 3.02Å; T361-A364 PolarHBondContact OG1-O 3.11Å; A364-I387 CarbonylContact C-O 3.56Å; A364-I387 VanDerWaalsContact CA-O 3.25Å; A364-I387 WeakPolarHBondContact CA-O 3.3Å
365V95.3Very high91.7Very high0 Ų011.4 Ų11.40%05%0.052CC..EExtended strand (participates in β ladder)trans-123.3144.5175.2114.30000109.7M359 V360 I367 V386 I387 V401 L404M359-V365 CarbonylContact O-C 3.52Å; M359-V365 WeakPolarHBondContact O-CA 3.43Å; M359-V365 WeakPolarHBondContact O-CG2 3.36Å; V360-V365 HydrophobicContact CB-CG2 3.63Å; V360-V365 HydrophobicContact CG2-CG2 3.74Å; V365-I367 HydrophobicContact CG1-CD1 4.4Å; V365-I367 HydrophobicContact CG1-CG1 4.18Å; V365-V386 VanDerWaalsContact O-CA 3.32Å; V365-V386 WeakPolarHBondContact O-CA 3.38Å; V365-I387 HydrophobicContact CG1-CB 4.26Å; V365-I387 PolarHBondContact N-O 2.88Å; V365-I387 PolarHBondContact O-N 2.83Å; V365-V401 HydrophobicContact CB-CG2 4.49Å; V365-L404 HydrophobicContact CB-CD1 4.06Å; V365-L404 HydrophobicContact CG1-CD1 3.58Å; V365-L404 HydrophobicContact CG2-CB 3.9Å; V365-L404 HydrophobicContact CG2-CD1 3.41Å; V365-L404 VanDerWaalsContact CG2-CD1 3.41Å; V365-L404 HydrophobicContact CG2-CG 4.26Å
366Y96.8Very high91.7Very high2 Ų210.6 Ų10.61%0.0085%0.048CC..EExtended strand (participates in β ladder)trans-124.5124.4169.1170.6-96.6000108.3D249 A252 I253 F358 M359 L385 V386D249-Y366 PolarHBondContact OD1-OH 3.16Å; A252-Y366 HydrophobicContact CB-CD2 4.42Å; A252-Y366 HydrophobicContact CB-CE2 4.32Å; I253-Y366 HydrophobicContact CD1-CD1 4.45Å; I253-Y366 HydrophobicContact CD1-CE1 3.83Å; I253-Y366 HydrophobicContact CG1-CD1 3.9Å; I253-Y366 HydrophobicContact CG1-CD2 4.26Å; I253-Y366 HydrophobicContact CG1-CE1 3.7Å; I253-Y366 HydrophobicContact CG1-CE2 4.07Å; I253-Y366 HydrophobicContact CG1-CG 4.17Å; F358-Y366 CarbonylContact C-O 3.03Å; F358-Y366 WeakPolarHBondContact CA-O 3.45Å; F358-Y366 WeakPolarHBondContact CB-O 3.37Å; M359-Y366 PolarHBondContact N-O 3.45Å; M359-Y366 PolarHBondContact O-N 3.39Å; Y366-L385 WeakPolarHBondContact CA-O 3.46Å; Y366-V386 HydrophobicContact CD2-CG2 3.79Å
367I96.3Very high91.6Very high2 Ų210.9 Ų10.91%0.015%0.049CC..EExtended strand (participates in β ladder)trans-115.4126.7171.9-58.3168.3000106.2V175 F358 V365 G384 L385 L404V175-I367 HydrophobicContact CB-CD1 4.4Å; V175-I367 HydrophobicContact CG1-CD1 3.52Å; V175-I367 HydrophobicContact CG2-CD1 4.05Å; F358-I367 HydrophobicContact CB-CG1 4.38Å; V365-I367 HydrophobicContact CG1-CD1 4.4Å; V365-I367 HydrophobicContact CG1-CG1 4.18Å; I367-G384 CarbonylContact O-C 3.46Å; I367-G384 VanDerWaalsContact O-CA 3.22Å; I367-G384 WeakPolarHBondContact O-CA 3.37Å; I367-L385 PolarHBondContact N-O 3.1Å; I367-L385 PolarHBondContact O-N 2.99Å; I367-L404 HydrophobicContact CD1-CD1 4Å; I367-L404 HydrophobicContact CG1-CD1 4.27Å
368G93.6Very high91.3Very high1 Ų113.4 Ų13.41%0.016%0.064CC..EExtended strand (participates in β ladder)trans-142.8173-17700000113.6R357R357-G368 WeakPolarHBondContact CB-O 3.48Å; R357-G368 PolarHBondContact O-N 3.06Å
369N92.9Very high90.9Very high6 Ų616.2 Ų16.23%0.0328%0.075CC..SBendtrans-98.7-13.4177.9-60.6125.7000114.2K143 S144 S145 G157 R357 A383K143-N369 WeakPolarHBondContact O-CB 3.38Å; S144-N369 WeakPolarHBondContact CA-OD1 3.24Å; S145-N369 PolarHBondContact N-ND2 3.41Å; S145-N369 PolarHBondContact N-OD1 3.01Å; G157-N369 PolarHBondContact O-ND2 3.43Å; R357-N369 VanDerWaalsContact CD-C 3.44Å; R357-N369 VanDerWaalsContact CD-O 3.23Å; R357-N369 WeakPolarHBondContact CD-O 3.17Å; R357-N369 PolarHBondContact NE-O 3.29Å; N369-A383 PolarHBondContact N-O 3.27Å; N369-A383 VanDerWaalsContact N-O 3.13Å; N369-A383 PolarHBondContact OD1-N 3.46Å; N369-A383 PolarHBondContact OD1-O 2.88Å
370L92Very high90.7Very high1 Ų116.6 Ų16.61%0.0058%0.077CC..SBendtrans-101.3138.9-172.3-61-175.8000112.7K143 E376 F377 N380K143-L370 HydrophobicContact CB-CD2 3.73Å; K143-L370 HydrophobicContact CG-CD2 4.23Å; L370-E376 HydrophobicContact CB-CB 4.19Å; L370-E376 HydrophobicContact CD2-CB 4.4Å; L370-F377 HydrophobicContact CB-CE1 4.13Å; L370-F377 HydrophobicContact CB-CZ 4.48Å; L370-F377 HydrophobicContact CD1-CD1 3.86Å; L370-F377 HydrophobicContact CD1-CE1 4.23Å; L370-N380 HydrophobicContact CD2-CB 3.97Å
371D88.8Confident90.5Very high19 Ų1916.6 Ų16.610%0.1028%0.077CC..  trans-74158.4171.7-68.2-54.8000111.2T268 I269 D270 R357 V373 E376 F377T268-D371 PolarHBondContact OG1-OD1 3.15Å; I269-D371 VanDerWaalsContact CB-OD1 3.29Å; I269-D371 WeakPolarHBondContact CB-OD1 3.27Å; I269-D371 WeakPolarHBondContact CG1-OD1 3.21Å; I269-D371 PolarHBondContact N-OD1 3.06Å; D270-D371 HydrophobicContact CB-CB 4.48Å; R357-D371 IonicContact CZ-OD1 3.91Å; R357-D371 IonicContact CZ-OD2 2.72Å; R357-D371 VanDerWaalsContact NE-CG 3.26Å; R357-D371 IonicContact NE-OD1 3.89Å; R357-D371 PolarHBondContact NE-OD1 3.44Å; R357-D371 IonicContact NE-OD2 3.78Å; R357-D371 PolarHBondContact NE-OD2 3.31Å; R357-D371 IonicContact NH2-OD1 3.03Å; R357-D371 IonicContact NH2-OD2 3.75Å; R357-D371 PolarHBondContact NH2-OD2 3.33Å; R357-D371 VanDerWaalsContact NH2-OD2 3.15Å; D371-V373 HydrophobicContact CB-CG2 4.45Å; D371-V373 PolarHBondContact O-N 3.06Å; D371-E376 HydrophobicContact CB-CG 4.16Å; D371-F377 WeakPolarHBondContact O-CE2 3.2Å
372W88.9Confident90.5Very high1 Ų116.6 Ų16.60%0.0048%0.077CC..EExtended strand (participates in β ladder)trans-84.160.2-173.8-7124.1000111.1I253 I266 D270 Y271 R272 I289 L293 M359I253-W372 HydrophobicContact CG2-CH2 4.22Å; I253-W372 HydrophobicContact CG2-CZ2 4.14Å; I266-W372 HydrophobicContact CB-CH2 4.22Å; I266-W372 HydrophobicContact CB-CZ3 4.37Å; I266-W372 HydrophobicContact CD1-CE3 4.32Å; I266-W372 HydrophobicContact CD1-CH2 3.44Å; I266-W372 VanDerWaalsContact CD1-CH2 3.44Å; I266-W372 HydrophobicContact CD1-CZ3 3.28Å; I266-W372 HydrophobicContact CG1-CH2 3.43Å; I266-W372 VanDerWaalsContact CG1-CH2 3.43Å; I266-W372 HydrophobicContact CG1-CZ2 4.18Å; I266-W372 HydrophobicContact CG1-CZ3 3.76Å; I266-W372 HydrophobicContact CG2-CD2 4.1Å; I266-W372 HydrophobicContact CG2-CE3 3.91Å; I266-W372 HydrophobicContact CG2-CH2 3.7Å; I266-W372 HydrophobicContact CG2-CZ2 3.84Å; I266-W372 HydrophobicContact CG2-CZ3 3.73Å; D270-W372 PolarHBondContact O-N 3.14Å; Y271-W372 HydrophobicContact CD2-CB 4Å; Y271-W372 HydrophobicContact CD2-CE3 4.18Å; Y271-W372 HydrophobicContact CE2-CE3 4.19Å; R272-W372 PolarHBondContact N-O 3.3Å; I289-W372 HydrophobicContact CD1-CB 4.37Å; I289-W372 HydrophobicContact CD1-CD2 4.08Å; I289-W372 HydrophobicContact CD1-CE3 4.27Å; I289-W372 HydrophobicContact CD1-CG 4.14Å; I289-W372 HydrophobicContact CG2-CD2 4.38Å; I289-W372 HydrophobicContact CG2-CE3 3.54Å; I289-W372 HydrophobicContact CG2-CZ3 3.59Å; L293-W372 HydrophobicContact CD1-CZ3 4.31Å; L293-W372 HydrophobicContact CD2-CZ3 4.49Å; M359-W372 HydrophobicContact CB-CH2 4.25Å; M359-W372 HydrophobicContact CB-CZ2 3.94Å; M359-W372 HydrophobicContact CE-CH2 4.28Å; M359-W372 HydrophobicContact CE-CZ2 4.27Å; M359-W372 HydrophobicContact CG-CH2 4.36Å; M359-W372 HydrophobicContact SD-CH2 3.64Å; M359-W372 HydrophobicContact SD-CZ2 4.09Å
373V86.9Confident90.7Very high2 Ų214.8 Ų14.81%0.0127%0.068CC..EExtended strand (participates in β ladder)trans-131.7135-178.8-175.40000109.3D270 R272 D371 K375 E376 F377D270-V373 HydrophobicContact CB-CG2 3.95Å; R272-V373 HydrophobicContact CB-CG1 4.05Å; R272-V373 HydrophobicContact CB-CG2 4.06Å; R272-V373 WeakPolarHBondContact O-CA 3.44Å; D371-V373 HydrophobicContact CB-CG2 4.45Å; D371-V373 PolarHBondContact O-N 3.06Å; V373-K375 HydrophobicContact CG1-CG 4.01Å; V373-K375 PolarHBondContact O-N 3.35Å; V373-E376 HydrophobicContact CB-CG 4.02Å; V373-E376 WeakPolarHBondContact O-CB 3.26Å; V373-E376 PolarHBondContact O-N 2.91Å; V373-F377 WeakPolarHBondContact O-CD2 3.32Å
374G82.4Confident91Very high0 Ų012.9 Ų12.90%06%0.061CC..Hα-helixtrans-55.8-32.2-172.400000115.8W286 E376 N378W286-G374 VanDerWaalsContact CD2-CA 3.41Å; G374-E376 VanDerWaalsContact C-N 3.31Å; G374-E376 PolarHBondContact O-N 3.15Å; G374-N378 VanDerWaalsContact O-CG 3.32Å; G374-N378 PolarHBondContact O-ND2 3.48Å
375K83.6Confident91.1Very high75 Ų7512.9 Ų12.933%0.3266%0.061SC..Hα-helixtrans-67.5-30.1177.671.1174.7-177.3166.10113.1V373 N378 Y379V373-K375 HydrophobicContact CG1-CG 4.01Å; V373-K375 PolarHBondContact O-N 3.35Å; K375-N378 PolarHBondContact O-N 3.39Å; K375-Y379 HydrophobicContact CB-CD2 4.05Å; K375-Y379 HydrophobicContact CB-CE2 4.45Å; K375-Y379 WeakPolarHBondContact O-CD2 3.48Å; K375-Y379 PolarHBondContact O-N 2.9Å
376E87.2Confident91.2Very high15 Ų1513 Ų137%0.076%0.061CC..Hα-helixtrans-64.8-49.3-175.9-62.9-67132.800109.7L370 D371 V373 G374 N378 N380L370-E376 HydrophobicContact CB-CB 4.19Å; L370-E376 HydrophobicContact CD2-CB 4.4Å; D371-E376 HydrophobicContact CB-CG 4.16Å; V373-E376 HydrophobicContact CB-CG 4.02Å; V373-E376 WeakPolarHBondContact O-CB 3.26Å; V373-E376 PolarHBondContact O-N 2.91Å; G374-E376 VanDerWaalsContact C-N 3.31Å; G374-E376 PolarHBondContact O-N 3.15Å; E376-N378 VanDerWaalsContact C-N 3.32Å; E376-N378 PolarHBondContact O-N 2.99Å; E376-N380 WeakPolarHBondContact O-CA 3.28Å; E376-N380 VanDerWaalsContact O-CB 3.31Å; E376-N380 WeakPolarHBondContact O-CB 3.26Å; E376-N380 PolarHBondContact O-N 3.35Å; E376-N380 PolarHBondContact OE1-ND2 2.67Å; E376-N380 VanDerWaalsContact OE1-ND2 3.14Å; E376-N380 PolarHBondContact OE2-ND2 3.12Å
377F89.1Confident91Very high5 Ų513 Ų132%0.0226%0.061CC..Hα-helixtrans-72-23.2-179.6-57.3-77.5000114.3P238 D249 L250 I253 W286 I289 L370 D371 V373P238-F377 WeakPolarHBondContact CA-O 3.48Å; P238-F377 WeakPolarHBondContact CB-O 3.24Å; D249-F377 HydrophobicContact CB-CD1 3.98Å; D249-F377 HydrophobicContact CB-CE1 3.91Å; L250-F377 HydrophobicContact CD1-CB 3.87Å; L250-F377 HydrophobicContact CD1-CG 4.22Å; L250-F377 HydrophobicContact CD2-CB 4.13Å; L250-F377 HydrophobicContact CD2-CD1 3.7Å; L250-F377 HydrophobicContact CD2-CD2 3.68Å; L250-F377 HydrophobicContact CD2-CE1 3.95Å; L250-F377 HydrophobicContact CD2-CE2 3.94Å; L250-F377 HydrophobicContact CD2-CG 3.55Å; L250-F377 HydrophobicContact CD2-CZ 4.07Å; L250-F377 HydrophobicContact CG-CB 3.92Å; L250-F377 HydrophobicContact CG-CD1 3.84Å; L250-F377 HydrophobicContact CG-CD2 4.41Å; L250-F377 HydrophobicContact CG-CE1 4.48Å; L250-F377 HydrophobicContact CG-CG 3.8Å; I253-F377 HydrophobicContact CD1-CE1 3.73Å; I253-F377 HydrophobicContact CD1-CZ 3.72Å; W286-F377 AromaticContact CH2-CD2 3.75Å; W286-F377 HydrophobicContact CH2-CD2 3.75Å; W286-F377 AromaticContact CH2-CE2 3.77Å; W286-F377 HydrophobicContact CH2-CE2 3.77Å; W286-F377 AromaticContact CZ2-CD2 3.79Å; W286-F377 HydrophobicContact CZ2-CD2 3.79Å; W286-F377 HydrophobicContact CZ2-CE2 4.27Å; I289-F377 HydrophobicContact CD1-CE2 3.89Å; I289-F377 HydrophobicContact CD1-CZ 3.94Å; L370-F377 HydrophobicContact CB-CE1 4.13Å; L370-F377 HydrophobicContact CB-CZ 4.48Å; L370-F377 HydrophobicContact CD1-CD1 3.86Å; L370-F377 HydrophobicContact CD1-CE1 4.23Å; D371-F377 WeakPolarHBondContact O-CE2 3.2Å; V373-F377 WeakPolarHBondContact O-CD2 3.32Å
378N86.5Confident90.8Very high74 Ų7413.1 Ų13.140%0.3966%0.062SC..Hα-helixtrans-89-33.1-176.7-71.6-17.2000112.8P238 G374 K375 E376P238-N378 VanDerWaalsContact CB-O 3.25Å; P238-N378 WeakPolarHBondContact CB-O 3.24Å; G374-N378 VanDerWaalsContact O-CG 3.32Å; G374-N378 PolarHBondContact O-ND2 3.48Å; K375-N378 PolarHBondContact O-N 3.39Å; E376-N378 VanDerWaalsContact C-N 3.32Å; E376-N378 PolarHBondContact O-N 2.99Å
379Y87.8Confident90.4Very high60 Ų6015 Ų1524%0.2357%0.071CC..Hα-helixtrans-122.1-32-170.6-55.7-60.9000113.6T138 D277 K375T138-Y379 WeakPolarHBondContact CB-O 2.95Å; T138-Y379 WeakPolarHBondContact O-CD1 3.48Å; T138-Y379 PolarHBondContact OG1-O 3.43Å; D277-Y379 VanDerWaalsContact CG-OH 3.29Å; D277-Y379 WeakPolarHBondContact OD1-CE2 3.3Å; D277-Y379 PolarHBondContact OD1-OH 3.2Å; D277-Y379 PolarHBondContact OD2-OH 3.48Å; K375-Y379 HydrophobicContact CB-CD2 4.05Å; K375-Y379 HydrophobicContact CB-CE2 4.45Å; K375-Y379 WeakPolarHBondContact O-CD2 3.48Å; K375-Y379 PolarHBondContact O-N 2.9Å
380N91.4Very high89.5Confident8 Ų815.8 Ų15.84%0.0438%0.076CC..SBendtrans-90.2140.1-174.4-62.5-17.8000111.2G140 F141 K143 S237 P238 L370 E376G140-N380 WeakPolarHBondContact CA-OD1 2.98Å; F141-N380 PolarHBondContact N-OD1 3.48Å; F141-N380 CarbonylContact O-C 3.58Å; F141-N380 VanDerWaalsContact O-CA 3.22Å; F141-N380 WeakPolarHBondContact O-CA 3.45Å; F141-N380 WeakPolarHBondContact O-CB 2.9Å; K143-N380 HydrophobicContact CG-CB 3.88Å; S237-N380 CarbonylContact C-O 3.48Å; P238-N380 VanDerWaalsContact CD-O 3.32Å; P238-N380 WeakPolarHBondContact CD-O 3.25Å; L370-N380 HydrophobicContact CD2-CB 3.97Å; E376-N380 WeakPolarHBondContact O-CA 3.28Å; E376-N380 VanDerWaalsContact O-CB 3.31Å; E376-N380 WeakPolarHBondContact O-CB 3.26Å; E376-N380 PolarHBondContact O-N 3.35Å; E376-N380 PolarHBondContact OE1-ND2 2.67Å; E376-N380 VanDerWaalsContact OE1-ND2 3.14Å; E376-N380 PolarHBondContact OE2-ND2 3.12Å
381A93.3Very high88.2Confident0 Ų022.5 Ų22.50%011%0.108CC..BIsolated β-bridgetrans-82.6119.6174.900000109.9M134 F141 L142 K143 S144 Y194 S237 F241M134-A381 HydrophobicContact CE-CB 3.64Å; M134-A381 HydrophobicContact SD-CB 4.05Å; F141-A381 PolarHBondContact O-N 3.44Å; L142-A381 HydrophobicContact CD1-CB 3.71Å; K143-A381 CarbonylContact C-O 3.55Å; K143-A381 WeakPolarHBondContact CA-O 3.41Å; K143-A381 PolarHBondContact N-O 2.75Å; S144-A381 PolarHBondContact N-O 2.87Å; S144-A381 PolarHBondContact OG-O 3.01Å; Y194-A381 HydrophobicContact CE1-CB 4.05Å; S237-A381 VanDerWaalsContact O-CA 3.28Å; S237-A381 WeakPolarHBondContact O-CA 3.48Å; F241-A381 HydrophobicContact CD2-CB 3.97Å; F241-A381 HydrophobicContact CE2-CB 3.78Å
382G93.8Very high86.8Confident0 Ų029 Ų290%014%0.143CC..EExtended strand (participates in β ladder)trans-139.5157.4-176.600000111S144 S236 S237S144-G382 WeakPolarHBondContact OG-CA 3.31Å; S144-G382 PolarHBondContact OG-N 3.32Å; S236-G382 WeakPolarHBondContact CA-O 3.4Å; S237-G382 PolarHBondContact N-O 3.27Å; S237-G382 PolarHBondContact O-N 3.34Å
383A95.4Very high85.2Confident0 Ų031.9 Ų31.90%016%0.16CC..EExtended strand (participates in β ladder)trans-123.5155167.900000110.2S144 F146 I156 I190 S235 N369S144-A383 PolarHBondContact OG-N 2.57Å; F146-A383 HydrophobicContact CD1-CB 4.24Å; F146-A383 HydrophobicContact CE1-CB 4.33Å; I156-A383 HydrophobicContact CD1-CB 4.1Å; I190-A383 HydrophobicContact CD1-CB 4.26Å; S235-A383 WeakPolarHBondContact O-CA 3.39Å; N369-A383 PolarHBondContact N-O 3.27Å; N369-A383 VanDerWaalsContact N-O 3.13Å; N369-A383 PolarHBondContact OD1-N 3.46Å; N369-A383 PolarHBondContact OD1-O 2.88Å
384G95.8Very high83.5Confident0 Ų036.8 Ų36.80%020%0.2CC..EExtended strand (participates in β ladder)trans-139.8153.1175.800000111.8I234 S235 D249 I367I234-G384 CarbonylContact C-O 3.59Å; I234-G384 VanDerWaalsContact CA-O 3.26Å; I234-G384 WeakPolarHBondContact CA-O 3.42Å; I234-G384 WeakPolarHBondContact CG2-O 3.37Å; S235-G384 PolarHBondContact N-O 3.18Å; S235-G384 PolarHBondContact O-N 2.97Å; S235-G384 WeakPolarHBondContact OG-CA 3.4Å; S235-G384 PolarHBondContact OG-O 2.88Å; D249-G384 PolarHBondContact OD1-N 3.49Å; I367-G384 CarbonylContact O-C 3.46Å; I367-G384 VanDerWaalsContact O-CA 3.22Å; I367-G384 WeakPolarHBondContact O-CA 3.37Å
385L96.4Very high82.2Confident0 Ų042.1 Ų42.10%023%0.225CC..EExtended strand (participates in β ladder)trans-120.6127.5175.5176.967.6000108.9I156 V175 L183 T232 I234 Y366 I367 I387I156-L385 HydrophobicContact CD1-CB 4.3Å; I156-L385 HydrophobicContact CG2-CB 4.04Å; I156-L385 HydrophobicContact CG2-CD2 3.85Å; V175-L385 HydrophobicContact CG2-CD2 3.56Å; L183-L385 HydrophobicContact CD1-CD1 4.3Å; L183-L385 HydrophobicContact CD2-CD1 4.09Å; T232-L385 WeakPolarHBondContact OG1-CD1 3.26Å; I234-L385 HydrophobicContact CG1-CD1 4.1Å; Y366-L385 WeakPolarHBondContact CA-O 3.46Å; I367-L385 PolarHBondContact N-O 3.1Å; I367-L385 PolarHBondContact O-N 2.99Å; L385-I387 HydrophobicContact CD2-CD1 3.97Å; L385-I387 HydrophobicContact CD2-CG1 4.24Å; L385-I387 HydrophobicContact CG-CD1 4.42Å; L385-I387 HydrophobicContact CG-CG1 4.15Å
386V96.3Very high80.6Confident2 Ų250.6 Ų50.61%0.01226%0.255CS..EExtended strand (participates in β ladder)trans-108131.9171.71770000109.5T232 Y233 A252 V256 V365 Y366T232-V386 WeakPolarHBondContact CA-O 3.24Å; T232-V386 WeakPolarHBondContact CB-O 3.29Å; T232-V386 PolarHBondContact OG1-O 3.03Å; Y233-V386 HydrophobicContact CD1-CB 4.11Å; Y233-V386 HydrophobicContact CD1-CG1 4.34Å; Y233-V386 HydrophobicContact CD2-CB 4.47Å; Y233-V386 HydrophobicContact CE1-CB 3.67Å; Y233-V386 HydrophobicContact CE1-CG1 3.61Å; Y233-V386 HydrophobicContact CE1-CG2 4.21Å; Y233-V386 HydrophobicContact CE2-CB 4.06Å; Y233-V386 HydrophobicContact CE2-CG2 3.87Å; Y233-V386 HydrophobicContact CG-CB 4.49Å; Y233-V386 PolarHBondContact N-O 3.14Å; Y233-V386 PolarHBondContact O-N 2.85Å; A252-V386 HydrophobicContact CB-CG2 3.87Å; V256-V386 HydrophobicContact CG2-CG1 3.81Å; V256-V386 HydrophobicContact CG2-CG2 4.18Å; V365-V386 VanDerWaalsContact O-CA 3.32Å; V365-V386 WeakPolarHBondContact O-CA 3.38Å; Y366-V386 HydrophobicContact CD2-CG2 3.79Å
387I93.6Very high79.1Confident2 Ų253.9 Ų53.91%0.0127%0.273CS..EExtended strand (participates in β ladder)trans-127.4120.8172.1-57.3168.8000107.7I27 V230 E231 A364 V365 L385 V400I27-I387 HydrophobicContact CD1-CD1 3.98Å; V230-I387 HydrophobicContact CB-CG2 4.1Å; V230-I387 HydrophobicContact CG1-CG2 4.29Å; V230-I387 HydrophobicContact CG2-CG2 4.28Å; E231-I387 CarbonylContact O-C 3.56Å; E231-I387 WeakPolarHBondContact O-CA 3.23Å; A364-I387 CarbonylContact C-O 3.56Å; A364-I387 VanDerWaalsContact CA-O 3.25Å; A364-I387 WeakPolarHBondContact CA-O 3.3Å; V365-I387 HydrophobicContact CG1-CB 4.26Å; V365-I387 PolarHBondContact N-O 2.88Å; V365-I387 PolarHBondContact O-N 2.83Å; L385-I387 HydrophobicContact CD2-CD1 3.97Å; L385-I387 HydrophobicContact CD2-CG1 4.24Å; L385-I387 HydrophobicContact CG-CD1 4.42Å; L385-I387 HydrophobicContact CG-CG1 4.15Å; I387-V400 HydrophobicContact CD1-CG1 4.02Å
388S91.1Very high77.9Confident4 Ų457.3 Ų57.33%0.02830%0.298CS..EExtended strand (participates in β ladder)trans-126.7151.3-18053.10000112.7E231 R363E231-S388 WeakPolarHBondContact CB-OG 3.33Å; E231-S388 PolarHBondContact N-O 3.05Å; E231-S388 PolarHBondContact O-N 2.65Å; E231-S388 PolarHBondContact O-OG 2.81Å; R363-S388 WeakPolarHBondContact O-CA 3.11Å
389H84.5Confident77.7Confident41 Ų4154.5 Ų54.519%0.1928%0.283CS..  trans-83.8137.2171.3-64.2168.2000111.1R363 T399R363-H389 PolarHBondContact NH2-O 2.84Å; R363-H389 PolarHBondContact O-N 3.24Å; H389-T399 PolarHBondContact CE1-OG1 3.05Å; H389-T399 WeakPolarHBondContact NE2-CB 3.27Å; H389-T399 WeakPolarHBondContact NE2-CG2 2.9Å; H389-T399 PolarHBondContact NE2-OG1 3.2Å
390P75.5Confident77.6Confident23 Ų2352.1 Ų52.115%0.14928%0.275CS..  trans-61.7152.2169.7-10.322.4000110.4K229 N392 V393K229-P390 HydrophobicContact CB-CG 4.5Å; K229-P390 HydrophobicContact CG-CG 4.2Å; K229-P390 WeakPolarHBondContact O-CD 3.35Å; K229-P390 WeakPolarHBondContact O-CG 3.42Å; P390-N392 PolarHBondContact O-N 3.42Å; P390-V393 HydrophobicContact CB-CG2 4.06Å; P390-V393 HydrophobicContact CG-CG2 3.75Å; P390-V393 PolarHBondContact O-N 3.34Å
391E64.3Low77.5Confident141 Ų14152 Ų5266%0.65927%0.274SS*.THydrogen-bonded Turntrans-56.3-19.9-176.4-76-164.8146.600115.8R261 R363R261-E391 IonicContact NH2-OE1 3.34Å; R363-E391 VanDerWaalsContact NH2-CG 3.27Å
392N58.2Low77.3Confident157 Ų15756.4 Ų56.484%0.8430%0.295SS*.THydrogen-bonded Turntrans-113.712.4-168.3-66.9-31.8000115.5P390P390-N392 PolarHBondContact O-N 3.42Å
393V56.9Low77.2Confident61 Ų6158.3 Ų58.337%0.3730%0.304SS..  trans-93.6109.6-176.3-173.90000111.4P390 E395P390-V393 HydrophobicContact CB-CG2 4.06Å; P390-V393 HydrophobicContact CG-CG2 3.75Å; P390-V393 PolarHBondContact O-N 3.34Å; V393-E395 HydrophobicContact CG1-CB 3.89Å; V393-E395 HydrophobicContact CG1-CG 4Å
394A50.1Low77Confident104 Ų10458.3 Ų58.386%0.8630%0.304SS*.  trans-103.976.7165.600000108.6
395E55.1Low77Confident112 Ų11260 Ų6052%0.52331%0.312SS..  trans-122.6146.5177-76.6-170.5169.300113.1V393V393-E395 HydrophobicContact CG1-CB 3.89Å; V393-E395 HydrophobicContact CG1-CG 4Å
396R49.3Very low76.8Confident254 Ų25461.9 Ų61.996%0.95833%0.328SS*.  trans-90.25.7-163.4-74176.5169.3177.1-3.4114.9
397N56.2Low76.6Confident83 Ų8361.8 Ų61.844%0.44433%0.327SS..SBendtrans-94.9142.7-177.4-71.4-15.3000110.7T228 T399T228-N397 HydrophobicContact CG2-CB 4.22Å; N397-T399 WeakPolarHBondContact O-CG2 3.01Å; N397-T399 PolarHBondContact O-N 3.26Å
398S63.6Low76.7Confident77 Ų7761.7 Ų61.754%0.53833%0.327SS..  trans-62.999.4178.962.10000111E402 Q403S398-E402 VanDerWaalsContact CA-OE2 3.3Å; S398-E402 WeakPolarHBondContact CA-OE2 3.48Å; S398-Q403 PolarHBondContact O-NE2 3.14Å
399T82.3Confident76.8Confident15 Ų1565.1 Ų65.19%0.09234%0.341CS..  trans-73.4165.8-177.878.10000110.8H389 N397 V401 E402 Q403H389-T399 PolarHBondContact CE1-OG1 3.05Å; H389-T399 WeakPolarHBondContact NE2-CB 3.27Å; H389-T399 WeakPolarHBondContact NE2-CG2 2.9Å; H389-T399 PolarHBondContact NE2-OG1 3.2Å; N397-T399 WeakPolarHBondContact O-CG2 3.01Å; N397-T399 PolarHBondContact O-N 3.26Å; T399-V401 PolarHBondContact O-N 3.28Å; T399-V401 PolarHBondContact OG1-N 2.99Å; T399-E402 PolarHBondContact O-N 2.87Å; T399-E402 PolarHBondContact OG1-N 3.26Å; T399-Q403 WeakPolarHBondContact O-CG 3.23Å; T399-Q403 PolarHBondContact O-N 3.32Å
400V86Confident77.2Confident11 Ų1164 Ų647%0.06734%0.335CS..Hα-helixtrans-56.4-33.6175.1179.20000111.2I27 I387 L404I27-V400 HydrophobicContact CB-CG2 4.17Å; I27-V400 HydrophobicContact CG2-CG2 3.89Å; I387-V400 HydrophobicContact CD1-CG1 4.02Å; V400-L404 HydrophobicContact CG1-CD1 3.98Å; V400-L404 WeakPolarHBondContact O-CB 3.45Å; V400-L404 PolarHBondContact O-N 3.42Å
401V89Confident78Confident4 Ų463 Ų632%0.02433%0.328CS..Hα-helixtrans-63.1-46.3175.7-178.20000110.7V360 T361 V365 T399 L404 Q405V360-V401 HydrophobicContact CG2-CG1 4Å; T361-V401 WeakPolarHBondContact O-CG1 3.36Å; V365-V401 HydrophobicContact CB-CG2 4.49Å; T399-V401 PolarHBondContact O-N 3.28Å; T399-V401 PolarHBondContact OG1-N 2.99Å; V401-L404 PolarHBondContact O-N 2.89Å; V401-Q405 WeakPolarHBondContact O-CB 3.29Å; V401-Q405 PolarHBondContact O-N 3.09Å
402E89.5Confident79.4Confident93 Ų9356.3 Ų56.344%0.43530%0.297SS..Hα-helixtrans-67.5-40179.3-65.4-178174.600112.2S398 T399 Q405 A406S398-E402 VanDerWaalsContact CA-OE2 3.3Å; S398-E402 WeakPolarHBondContact CA-OE2 3.48Å; T399-E402 PolarHBondContact O-N 2.87Å; T399-E402 PolarHBondContact OG1-N 3.26Å; E402-Q405 WeakPolarHBondContact O-CB 3.47Å; E402-Q405 PolarHBondContact O-N 3.31Å; E402-A406 WeakPolarHBondContact O-CB 3.34Å; E402-A406 PolarHBondContact O-N 2.97Å
403Q91.5Very high81Confident40 Ų4055.4 Ų55.419%0.18729%0.286CS..Hα-helixtrans-59.5-48174.7-69.9178.126.300111.2L29 S398 T399 Q405 A406 V407L29-Q403 HydrophobicContact CD2-CB 4.41Å; S398-Q403 PolarHBondContact O-NE2 3.14Å; T399-Q403 WeakPolarHBondContact O-CG 3.23Å; T399-Q403 PolarHBondContact O-N 3.32Å; Q403-Q405 PolarHBondContact O-N 2.85Å; Q403-A406 WeakPolarHBondContact O-CB 3.38Å; Q403-A406 PolarHBondContact O-N 3.42Å; Q403-A406 VanDerWaalsContact O-N 3.16Å; Q403-V407 WeakPolarHBondContact O-CG2 3.29Å; Q403-V407 PolarHBondContact O-N 2.91Å
404L92.8Very high82.6Confident0 Ų053.3 Ų53.30%027%0.274CS..Hα-helixtrans-67.3-35.2177.3-80.9166.3000112.9L29 L173 F358 V360 V365 I367 V400 V401 A406 V407 F408L29-L404 HydrophobicContact CD1-CD1 4.33Å; L29-L404 HydrophobicContact CD1-CD2 3.61Å; L29-L404 HydrophobicContact CD1-CG 3.95Å; L29-L404 HydrophobicContact CD2-CD2 3.93Å; L29-L404 HydrophobicContact CD2-CG 4.14Å; L29-L404 HydrophobicContact CG-CD2 4.47Å; L173-L404 HydrophobicContact CD1-CD2 4.34Å; L173-L404 HydrophobicContact CD2-CD2 3.5Å; L173-L404 VanDerWaalsContact CD2-CD2 3.5Å; L173-L404 HydrophobicContact CG-CD2 4.23Å; F358-L404 HydrophobicContact CD2-CD2 4.31Å; F358-L404 HydrophobicContact CE2-CD2 4.44Å; V360-L404 HydrophobicContact CG2-CB 4.46Å; V365-L404 HydrophobicContact CB-CD1 4.06Å; V365-L404 HydrophobicContact CG1-CD1 3.58Å; V365-L404 HydrophobicContact CG2-CB 3.9Å; V365-L404 HydrophobicContact CG2-CD1 3.41Å; V365-L404 VanDerWaalsContact CG2-CD1 3.41Å; V365-L404 HydrophobicContact CG2-CG 4.26Å; I367-L404 HydrophobicContact CD1-CD1 4Å; I367-L404 HydrophobicContact CG1-CD1 4.27Å; V400-L404 HydrophobicContact CG1-CD1 3.98Å; V400-L404 WeakPolarHBondContact O-CB 3.45Å; V400-L404 PolarHBondContact O-N 3.42Å; V401-L404 PolarHBondContact O-N 2.89Å; L404-A406 VanDerWaalsContact C-N 3.3Å; L404-A406 PolarHBondContact O-N 3.22Å; L404-V407 PolarHBondContact O-N 3.01Å; L404-F408 PolarHBondContact O-N 3.29Å
405Q93.7Very high84.4Confident37 Ų3756.4 Ų56.417%0.17326%0.263CS..Hα-helixtrans-62.5-39.9171.9-167.4-168.813.900111.1F263 Y265 V360 V401 E402 Q403 F408 K409F263-Q405 HydrophobicContact CE2-CG 4.14Å; F263-Q405 VanDerWaalsContact CZ-CD 3.49Å; F263-Q405 HydrophobicContact CZ-CG 4.03Å; Y265-Q405 HydrophobicContact CD2-CG 4.25Å; Y265-Q405 HydrophobicContact CE2-CG 4.08Å; V360-Q405 HydrophobicContact CG2-CB 4.03Å; V401-Q405 WeakPolarHBondContact O-CB 3.29Å; V401-Q405 PolarHBondContact O-N 3.09Å; E402-Q405 WeakPolarHBondContact O-CB 3.47Å; E402-Q405 PolarHBondContact O-N 3.31Å; Q403-Q405 PolarHBondContact O-N 2.85Å; Q405-F408 PolarHBondContact O-N 3.15Å; Q405-K409 HydrophobicContact CG-CD 4.46Å; Q405-K409 VanDerWaalsContact NE2-NZ 3.1Å; Q405-K409 WeakPolarHBondContact O-CG 3.48Å; Q405-K409 PolarHBondContact O-N 3.17Å
406A92.9Very high85.9Confident39 Ų3951.9 Ų51.932%0.32224%0.241SC..Hα-helixtrans-66.1-42.5176.500000111.8A44 E402 Q403 L404 F408 K409 R410A44-A406 HydrophobicContact CB-CB 3.83Å; E402-A406 WeakPolarHBondContact O-CB 3.34Å; E402-A406 PolarHBondContact O-N 2.97Å; Q403-A406 WeakPolarHBondContact O-CB 3.38Å; Q403-A406 PolarHBondContact O-N 3.42Å; Q403-A406 VanDerWaalsContact O-N 3.16Å; L404-A406 VanDerWaalsContact C-N 3.3Å; L404-A406 PolarHBondContact O-N 3.22Å; A406-F408 PolarHBondContact O-N 3.24Å; A406-K409 PolarHBondContact O-N 3.06Å; A406-R410 WeakPolarHBondContact O-CB 3.25Å; A406-R410 PolarHBondContact O-N 3.2Å
407V93.3Very high87.8Confident0 Ų040.2 Ų40.20%020%0.2CC..Hα-helixtrans-56.8-49.6172.5170.60000111L29 H46 L173 F358 Q403 L404 K409 R410 D411L29-V407 HydrophobicContact CD2-CG2 3.76Å; H46-V407 WeakPolarHBondContact CE1-CG2 3.41Å; L173-V407 HydrophobicContact CD1-CG1 4.3Å; F358-V407 HydrophobicContact CZ-CG1 4.48Å; Q403-V407 WeakPolarHBondContact O-CG2 3.29Å; Q403-V407 PolarHBondContact O-N 2.91Å; L404-V407 PolarHBondContact O-N 3.01Å; V407-K409 PolarHBondContact O-N 3.03Å; V407-R410 WeakPolarHBondContact O-CB 3.3Å; V407-R410 PolarHBondContact O-N 3.38Å; V407-D411 PolarHBondContact O-N 3.47Å
408F94.6Very high89.3Confident0 Ų039.9 Ų39.90%020%0.198CC..Hα-helixtrans-60-46.5178.5-176.9-87.9000111.9Y265 I266 R305 L307 F358 V360 L404 Q405 A406 R410 D411 W412Y265-F408 HydrophobicContact CD1-CD1 4.46Å; Y265-F408 HydrophobicContact CD1-CE1 4.08Å; Y265-F408 AromaticContact CD2-CD1 3.44Å; Y265-F408 HydrophobicContact CD2-CD1 3.44Å; Y265-F408 VanDerWaalsContact CD2-CD1 3.44Å; Y265-F408 AromaticContact CD2-CE1 3.89Å; Y265-F408 HydrophobicContact CD2-CE1 3.89Å; Y265-F408 HydrophobicContact CD2-CG 4.11Å; Y265-F408 HydrophobicContact CE2-CD1 4.24Å; Y265-F408 AromaticContact CG-CD1 3.58Å; Y265-F408 HydrophobicContact CG-CD1 3.58Å; Y265-F408 AromaticContact CG-CE1 3.58Å; Y265-F408 HydrophobicContact CG-CE1 3.58Å; Y265-F408 HydrophobicContact CG-CG 4.22Å; Y265-F408 HydrophobicContact CG-CZ 4.2Å; I266-F408 WeakPolarHBondContact O-CE2 3.39Å; R305-F408 HydrophobicContact CB-CE1 3.75Å; R305-F408 HydrophobicContact CB-CZ 3.72Å; L307-F408 HydrophobicContact CB-CE2 3.71Å; L307-F408 HydrophobicContact CB-CZ 4.05Å; F358-F408 HydrophobicContact CE2-CB 4.06Å; F358-F408 HydrophobicContact CE2-CD2 4.25Å; F358-F408 HydrophobicContact CZ-CB 4.02Å; F358-F408 HydrophobicContact CZ-CD2 4.07Å; V360-F408 HydrophobicContact CG1-CB 4.29Å; L404-F408 PolarHBondContact O-N 3.29Å; Q405-F408 PolarHBondContact O-N 3.15Å; A406-F408 PolarHBondContact O-N 3.24Å; F408-R410 PolarHBondContact O-N 2.86Å; F408-D411 PolarHBondContact O-N 2.87Å; F408-W412 HydrophobicContact CD1-CB 4.32Å; F408-W412 HydrophobicContact CE1-CB 4.08Å; F408-W412 HydrophobicContact CE1-CD2 4.1Å; F408-W412 AromaticContact CE1-CE3 3.83Å; F408-W412 HydrophobicContact CE1-CE3 3.83Å; F408-W412 HydrophobicContact CE1-CG 4.23Å; F408-W412 HydrophobicContact CZ-CD2 4.38Å; F408-W412 AromaticContact CZ-CE3 3.64Å; F408-W412 HydrophobicContact CZ-CE3 3.64Å; F408-W412 HydrophobicContact CZ-CZ3 4.14Å; F408-W412 WeakPolarHBondContact O-CB 3.36Å; F408-W412 PolarHBondContact O-N 3.35Å
409K94.1Very high90.3Very high75 Ų7540.5 Ų40.533%0.32620%0.198SC..Hα-helixtrans-62.8-42.9179.7-75.1176.2-176.3169.40111.5Y265 Q405 A406 V407 D411 W412 F413Y265-K409 HydrophobicContact CE2-CG 4.42Å; Q405-K409 HydrophobicContact CG-CD 4.46Å; Q405-K409 VanDerWaalsContact NE2-NZ 3.1Å; Q405-K409 WeakPolarHBondContact O-CG 3.48Å; Q405-K409 PolarHBondContact O-N 3.17Å; A406-K409 PolarHBondContact O-N 3.06Å; V407-K409 PolarHBondContact O-N 3.03Å; K409-D411 VanDerWaalsContact C-N 3.33Å; K409-D411 PolarHBondContact O-N 2.9Å; K409-W412 PolarHBondContact O-N 2.82Å; K409-F413 HydrophobicContact CB-CD2 4.23Å; K409-F413 HydrophobicContact CB-CE2 4.25Å; K409-F413 HydrophobicContact CG-CE2 4.38Å; K409-F413 WeakPolarHBondContact O-CD2 3.23Å; K409-F413 PolarHBondContact O-N 2.7Å
410R93.2Very high89.8Confident19 Ų1940.5 Ų40.57%0.07220%0.198CC..Hα-helixtrans-53.9-51.8174.2179.2-162.868-159.7-5.4110.4E31 I33 F39 A44 K171 A406 V407 F408 W412 S414E31-R410 VanDerWaalsContact CD-NH1 3.31Å; E31-R410 IonicContact OE1-CZ 2.97Å; E31-R410 IonicContact OE1-NH1 3.69Å; E31-R410 PolarHBondContact OE1-NH1 3.48Å; E31-R410 IonicContact OE1-NH2 3.56Å; E31-R410 IonicContact OE2-CZ 3.34Å; E31-R410 IonicContact OE2-NH1 3.14Å; E31-R410 PolarHBondContact OE2-NH1 3.47Å; E31-R410 IonicContact OE2-NH2 3.95Å; E31-R410 PolarHBondContact OE2-NH2 2.85Å; I33-R410 VanDerWaalsContact CD1-NH1 3.33Å; F39-R410 HydrophobicContact CB-CG 4.45Å; F39-R410 HydrophobicContact CD1-CG 3.55Å; F39-R410 HydrophobicContact CE1-CG 3.92Å; F39-R410 HydrophobicContact CG-CG 4.08Å; A44-R410 WeakPolarHBondContact O-CD 3.42Å; A44-R410 PolarHBondContact O-NH1 3.26Å; K171-R410 VanDerWaalsContact CE-NH2 3.33Å; A406-R410 WeakPolarHBondContact O-CB 3.25Å; A406-R410 PolarHBondContact O-N 3.2Å; V407-R410 WeakPolarHBondContact O-CB 3.3Å; V407-R410 PolarHBondContact O-N 3.38Å; F408-R410 PolarHBondContact O-N 2.86Å; R410-W412 VanDerWaalsContact C-N 3.34Å; R410-W412 PolarHBondContact O-N 3.32Å; R410-S414 WeakPolarHBondContact O-CB 3.37Å; R410-S414 PolarHBondContact O-N 2.92Å; R410-S414 VanDerWaalsContact O-N 3.12Å
411D91.8Very high88.9Confident0 Ų045.3 Ų45.30%022%0.22CC..Hα-helixtrans-67.4-37.6-178-63.6-7.4000111.2K171 L307 F342 V407 F408 K409 S414 A417K171-D411 WeakPolarHBondContact CE-OD1 3.39Å; K171-D411 WeakPolarHBondContact CE-OD2 3.46Å; K171-D411 IonicContact NZ-OD2 3.69Å; L307-D411 HydrophobicContact CD2-CB 3.83Å; F342-D411 HydrophobicContact CE2-CB 4.11Å; V407-D411 PolarHBondContact O-N 3.47Å; F408-D411 PolarHBondContact O-N 2.87Å; K409-D411 VanDerWaalsContact C-N 3.33Å; K409-D411 PolarHBondContact O-N 2.9Å; D411-S414 WeakPolarHBondContact O-CB 3.02Å; D411-S414 PolarHBondContact O-N 3.46Å; D411-S414 PolarHBondContact O-OG 2.91Å; D411-A417 WeakPolarHBondContact O-CB 3.17Å
412W93.2Very high87.5Confident1 Ų149.7 Ų49.70%0.00425%0.246CC..Hα-helixtrans-65.6-39.2179.3-177.1-95.9000114.8R305 L306 L307 E338 K340 F408 K409 R410 A417R305-W412 HydrophobicContact CB-CE3 4.23Å; R305-W412 HydrophobicContact CB-CH2 3.88Å; R305-W412 HydrophobicContact CB-CZ2 4.23Å; R305-W412 HydrophobicContact CB-CZ3 3.88Å; R305-W412 HydrophobicContact CG-CH2 4.17Å; R305-W412 HydrophobicContact CG-CZ2 4.05Å; L306-W412 WeakPolarHBondContact O-CZ3 3.23Å; L307-W412 HydrophobicContact CB-CE3 4.22Å; L307-W412 HydrophobicContact CB-CZ3 4.35Å; L307-W412 HydrophobicContact CD1-CE3 4.11Å; L307-W412 HydrophobicContact CD1-CZ3 4.47Å; E338-W412 HydrophobicContact CB-CH2 3.72Å; E338-W412 HydrophobicContact CB-CZ2 3.53Å; E338-W412 HydrophobicContact CG-CZ2 4.43Å; E338-W412 WeakPolarHBondContact OE2-CZ2 3.42Å; K340-W412 HydrophobicContact CB-CE3 4.35Å; K340-W412 HydrophobicContact CB-CH2 4Å; K340-W412 HydrophobicContact CB-CZ3 3.83Å; K340-W412 HydrophobicContact CD-CD2 3.99Å; K340-W412 HydrophobicContact CD-CE3 4.14Å; K340-W412 HydrophobicContact CD-CH2 3.96Å; K340-W412 HydrophobicContact CD-CZ2 3.78Å; K340-W412 HydrophobicContact CD-CZ3 4.13Å; K340-W412 HydrophobicContact CG-CE3 4.43Å; K340-W412 HydrophobicContact CG-CH2 3.62Å; K340-W412 HydrophobicContact CG-CZ2 3.85Å; K340-W412 HydrophobicContact CG-CZ3 3.93Å; K340-W412 PolarHBondContact NZ-O 3.35Å; F408-W412 HydrophobicContact CD1-CB 4.32Å; F408-W412 HydrophobicContact CE1-CB 4.08Å; F408-W412 HydrophobicContact CE1-CD2 4.1Å; F408-W412 AromaticContact CE1-CE3 3.83Å; F408-W412 HydrophobicContact CE1-CE3 3.83Å; F408-W412 HydrophobicContact CE1-CG 4.23Å; F408-W412 HydrophobicContact CZ-CD2 4.38Å; F408-W412 AromaticContact CZ-CE3 3.64Å; F408-W412 HydrophobicContact CZ-CE3 3.64Å; F408-W412 HydrophobicContact CZ-CZ3 4.14Å; F408-W412 WeakPolarHBondContact O-CB 3.36Å; F408-W412 PolarHBondContact O-N 3.35Å; K409-W412 PolarHBondContact O-N 2.82Å; R410-W412 VanDerWaalsContact C-N 3.34Å; R410-W412 PolarHBondContact O-N 3.32Å; W412-A417 WeakPolarHBondContact O-CB 3.49Å
413F92.4Very high85.8Confident138 Ų13853.1 Ų53.161%0.60527%0.268SS*.Hα-helixtrans-91.1-2.2179.1-66.9-64.8000112.8K409K409-F413 HydrophobicContact CB-CD2 4.23Å; K409-F413 HydrophobicContact CB-CE2 4.25Å; K409-F413 HydrophobicContact CG-CE2 4.38Å; K409-F413 WeakPolarHBondContact O-CD2 3.23Å; K409-F413 PolarHBondContact O-N 2.7Å
414S89.8Confident84.3Confident17 Ų1757.5 Ų57.512%0.11929%0.286CS..SBendtrans-69.2159.4175.6790000112.5R410 D411 Y416 A417R410-S414 WeakPolarHBondContact O-CB 3.37Å; R410-S414 PolarHBondContact O-N 2.92Å; R410-S414 VanDerWaalsContact O-N 3.12Å; D411-S414 WeakPolarHBondContact O-CB 3.02Å; D411-S414 PolarHBondContact O-N 3.46Å; D411-S414 PolarHBondContact O-OG 2.91Å; S414-Y416 PolarHBondContact O-N 3.36Å; S414-Y416 VanDerWaalsContact O-N 3.14Å; S414-Y416 PolarHBondContact OG-N 3.47Å; S414-A417 PolarHBondContact O-N 3.17Å
415R87.6Confident82.8Confident170 Ų17062.5 Ų62.564%0.64231%0.312SS*.THydrogen-bonded Turntrans-62.6-14.4171.767.3-178.7-177.8171.51.7114.1
416Y86.9Confident81.2Confident16 Ų1662.3 Ų62.36%0.06331%0.314CS..THydrogen-bonded Turntrans-83.2-18.9-178.7-54.9-72.9000112.1D36 M37 W38 F39 F342 K343 S414 N418D36-Y416 PolarHBondContact O-OH 3.32Å; D36-Y416 VanDerWaalsContact O-OH 3.11Å; M37-Y416 WeakPolarHBondContact CA-OH 3.47Å; M37-Y416 HydrophobicContact CB-CE2 4.18Å; M37-Y416 HydrophobicContact CG-CE1 4.47Å; M37-Y416 HydrophobicContact CG-CE2 4.13Å; W38-Y416 PolarHBondContact N-OH 3.43Å; W38-Y416 VanDerWaalsContact N-OH 3.14Å; F39-Y416 HydrophobicContact CE1-CD2 4.46Å; F342-Y416 WeakPolarHBondContact CA-O 3.4Å; F342-Y416 HydrophobicContact CE1-CG 4.49Å; F342-Y416 HydrophobicContact CE2-CG 4.47Å; F342-Y416 VanDerWaalsContact CZ-CB 3.5Å; F342-Y416 HydrophobicContact CZ-CD2 4.25Å; F342-Y416 HydrophobicContact CZ-CG 4.03Å; K343-Y416 PolarHBondContact N-O 3.13Å; S414-Y416 PolarHBondContact O-N 3.36Å; S414-Y416 VanDerWaalsContact O-N 3.14Å; S414-Y416 PolarHBondContact OG-N 3.47Å; Y416-N418 PolarHBondContact O-ND2 3.06Å; Y416-N418 VanDerWaalsContact O-ND2 3.16Å
417A89.8Confident79.8Confident10 Ų1064.8 Ų64.88%0.08332%0.324CS..EExtended strand (participates in β ladder)trans-91.6105.6-18000000111.7L307 K340 D411 W412 S414L307-A417 HydrophobicContact CD1-CB 3.86Å; K340-A417 HydrophobicContact CB-CB 4.29Å; K340-A417 HydrophobicContact CD-CB 3.8Å; D411-A417 WeakPolarHBondContact O-CB 3.17Å; W412-A417 WeakPolarHBondContact O-CB 3.49Å; S414-A417 PolarHBondContact O-N 3.17Å
418N87.8Confident78.4Confident76 Ų7665.6 Ų65.641%0.40633%0.33SS..EExtended strand (participates in β ladder)trans-101.9132-175.2-65.3-76.7000111.9K340 F341 Y416K340-N418 CarbonylContact C-O 3.55Å; K340-N418 VanDerWaalsContact CA-O 3.26Å; K340-N418 WeakPolarHBondContact CA-O 3.36Å; F341-N418 PolarHBondContact N-O 3.33Å; F341-N418 PolarHBondContact O-N 3.25Å; Y416-N418 PolarHBondContact O-ND2 3.06Å; Y416-N418 VanDerWaalsContact O-ND2 3.16Å
419T84Confident76.3Confident89 Ų8968.2 Ų68.255%0.54635%0.349SS..EExtended strand (participates in β ladder)trans-75.5145.3177.2-52.80000111.6Q421T419-Q421 PolarHBondContact O-N 3.29Å
420I71.7Confident73.9Confident15 Ų1571 Ų718%0.07736%0.361CS..PPolyproline II helixtrans-67.9120173.4-54.5169.5000109.7I322 W323 A339 F341I322-I420 HydrophobicContact CB-CD1 4.29Å; I322-I420 HydrophobicContact CG2-CD1 3.47Å; I322-I420 VanDerWaalsContact CG2-CD1 3.47Å; W323-I420 HydrophobicContact CE3-CG2 4.44Å; A339-I420 HydrophobicContact CB-CD1 3.97Å; F341-I420 HydrophobicContact CD2-CD1 4.1Å; F341-I420 HydrophobicContact CD2-CG1 3.64Å; F341-I420 HydrophobicContact CE2-CD1 3.52Å; F341-I420 HydrophobicContact CE2-CG1 3.53Å
421Q67.5Low71.1Confident113 Ų11377.9 Ų77.953%0.52839%0.393SS..PPolyproline II helixtrans-81.5140.5168.4-67-172-4.700110.1T419 N423 K424T419-Q421 PolarHBondContact O-N 3.29Å; Q421-N423 PolarHBondContact O-N 3.24Å; Q421-K424 HydrophobicContact CB-CB 4.3Å; Q421-K424 PolarHBondContact O-N 2.83Å
422T58.5Low68.3Low95 Ų9586.9 Ų86.958%0.58344%0.436SS*.THydrogen-bonded Turntrans-52128.6169.3350000110.3W323 K424W323-T422 HydrophobicContact CH2-CG2 3.35Å; W323-T422 HydrophobicContact CZ2-CG2 4.02Å; W323-T422 HydrophobicContact CZ3-CG2 4.21Å; T422-K424 VanDerWaalsContact C-N 3.25Å; T422-K424 PolarHBondContact O-N 3.11Å
423N54.7Low65.2Low166 Ų16697.8 Ų97.889%0.88849%0.491SS*.THydrogen-bonded Turntrans64.515.2175.3-55.2-18.2000116.6Q421Q421-N423 PolarHBondContact O-N 3.24Å
424K60.7Low63.9Low132 Ų13295.8 Ų95.857%0.57449%0.486SS*.  trans-120.2117.7168.9-65.3-170.7-169.9164.20109.5Q421 T422 P426Q421-K424 HydrophobicContact CB-CB 4.3Å; Q421-K424 PolarHBondContact O-N 2.83Å; T422-K424 VanDerWaalsContact C-N 3.25Å; T422-K424 PolarHBondContact O-N 3.11Å; K424-P426 WeakPolarHBondContact O-CD 3.33Å
425I60.8Low62.5Low105 Ų10599.9 Ų99.954%0.53851%0.505SS..  trans-69.3116.6164.4-61.9175.1000105.9F319 V427F319-I425 HydrophobicContact CD2-CG2 3.65Å; F319-I425 HydrophobicContact CE2-CG2 3.61Å; F319-I425 HydrophobicContact CG-CG2 4.32Å; F319-I425 HydrophobicContact CZ-CG2 4.26Å; I425-V427 PolarHBondContact O-N 2.82Å; I425-V427 VanDerWaalsContact O-N 3.14Å
426P60.6Low61.1Low33 Ų3396 Ų9621%0.21450%0.497CS..  trans-51.3122170.8-24.134000109.5F319 F341 K424 C428F319-P426 VanDerWaalsContact CD1-CD 3.43Å; F319-P426 HydrophobicContact CD1-CG 3.9Å; F319-P426 HydrophobicContact CE1-CB 3.84Å; F319-P426 HydrophobicContact CE1-CG 3.39Å; F319-P426 HydrophobicContact CZ-CB 4.11Å; F319-P426 HydrophobicContact CZ-CG 4.11Å; F341-P426 HydrophobicContact CD2-CG 4.19Å; F341-P426 HydrophobicContact CE2-CG 4.49Å; K424-P426 WeakPolarHBondContact O-CD 3.33Å; P426-C428 PolarHBondContact O-N 3Å
427V63.3Low59.6Low90 Ų90100.7 Ų100.755%0.54552%0.523SS..  trans-73.397176.2176.80000107.2K343 I425 S429K343-V427 PolarHBondContact NZ-O 3.02Å; I425-V427 PolarHBondContact O-N 2.82Å; I425-V427 VanDerWaalsContact O-N 3.14Å; V427-S429 WeakPolarHBondContact CG1-O 3.29Å
428C62.8Low57.7Low17 Ų17106.4 Ų106.412%0.11555%0.551CS.*  trans-87.2-12.7174.8-63.20000112.9C310 W311 P426C310-C428 VanDerWaalsContact CA-SG 3.51Å; C310-C428 HydrophobicContact CB-CB 4.16Å; C310-C428 WeakPolarHBondContact CB-SG 3.25Å; C310-C428 WeakPolarHBondContact SG-CA 3.4Å; C310-C428 WeakPolarHBondContact SG-CB 2.81Å; C310-C428 CovalentContact SG-SG 2.04Å; C310-C428 PolarHBondContact SG-SG 3.12Å; W311-C428 VanDerWaalsContact O-CB 3.23Å; W311-C428 WeakPolarHBondContact O-CB 3.34Å; P426-C428 PolarHBondContact O-N 3Å
429S50.8Low55.7Low56 Ų56108.4 Ų108.439%0.39256%0.56SS.*SBendtrans-105.8141.3173.354.90000111.5V427 Q431V427-S429 WeakPolarHBondContact CG1-O 3.29Å; S429-Q431 PolarHBondContact O-N 3.34Å
430K43.7Very low53.7Low133 Ų133109.8 Ų109.858%0.57856%0.561SS**  trans-64.8115.8156.3-85.9175.7176.4170.90105.8Q432K430-Q432 PolarHBondContact O-N 3.32Å
431Q34.2Very low52.3Low163 Ų163117.1 Ų117.176%0.76260%0.598SS**  trans-65.3106.6155.8-81.3-177.6-31.300105.5S429 I433S429-Q431 PolarHBondContact O-N 3.34Å; Q431-I433 PolarHBondContact O-N 3.22Å; Q431-I433 VanDerWaalsContact O-N 3.13Å
432Q32.6Very low51Low190 Ų190117.4 Ų117.489%0.88860%0.604SS**  trans-59.7112.3154.2-87.3-179.7-22.300105.8K430K430-Q432 PolarHBondContact O-N 3.32Å
433I30Very low50.4Low229 Ų229119.5 Ų119.5100%1.17461%0.606SS**  trans-72.90166.4-67172.8000107.9Q431Q431-I433 PolarHBondContact O-N 3.22Å; Q431-I433 VanDerWaalsContact O-N 3.13Å

Retrieved 433 of 433 residues in 721.4 ms (Link to these results)

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