A0A087Y6J6_POEFO Loading...

Peroxisomal leader peptide-processing protease

Peroxisomal protease that mediates both the removal of the leader peptide from proteins containing a PTS2 target sequence and processes several PTS1-containing proteins. Catalyzes the processing of PTS1-proteins involved in the peroxisomal beta-oxidation of fatty acids.

AlphaFold DB , UniProt , Accession A0A087Y6J6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 516 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
1M87.2Confident89.7Confident57 Ų5752.8 Ų52.828%0.28125%0.246SC..  0151.80174.1176.969.500107.6D5 V6 P158 F222 S229 V230M1-D5 HydrophobicContact CG-CB 3.79Å; M1-D5 HydrophobicContact SD-CB 4.01Å; M1-V6 HydrophobicContact CE-CB 4.46Å; M1-V6 HydrophobicContact CE-CG2 3.9Å; M1-P158 HydrophobicContact CB-CG 3.52Å; M1-F222 HydrophobicContact CE-CD1 4.25Å; M1-F222 HydrophobicContact CE-CE1 3.98Å; M1-S229 CarbonylContact O-C 3.53Å; M1-S229 VanDerWaalsContact O-CA 3.24Å; M1-S229 WeakPolarHBondContact O-CA 3.49Å; M1-V230 HydrophobicContact CB-CG2 4.09Å; M1-V230 HydrophobicContact CE-CG2 3.57Å; M1-V230 HydrophobicContact CG-CG2 4.25Å; M1-V230 PolarHBondContact N-O 3.47Å; M1-V230 WeakPolarHBondContact O-CG2 3.4Å; M1-V230 PolarHBondContact O-N 3.44Å
2E88.4Confident90.1Very high88 Ų8848.4 Ų48.441%0.41123%0.226SC..BIsolated β-bridgetrans-81.2149.1177-63.9-71.7125.600111.6K4 D5E2-K4 HydrophobicContact CB-CD 4.44Å; E2-K4 HydrophobicContact CB-CG 3.98Å; E2-K4 PolarHBondContact O-N 2.77Å; E2-K4 VanDerWaalsContact O-N 3.16Å; E2-D5 PolarHBondContact O-N 3.09Å
3L86.9Confident90.4Very high26 Ų2644.7 Ų44.714%0.13621%0.208CC..G310 helixtrans-53.3-37.7177.3179.163.1000113.7D5 V6 V172 V224 D228 V230L3-D5 PolarHBondContact O-N 3.14Å; L3-V6 HydrophobicContact CD1-CG2 4.16Å; L3-V6 WeakPolarHBondContact O-CB 3.31Å; L3-V6 VanDerWaalsContact O-CG2 3.3Å; L3-V6 WeakPolarHBondContact O-CG2 3.49Å; L3-V6 PolarHBondContact O-N 3.44Å; L3-V172 HydrophobicContact CD1-CB 4.12Å; L3-V172 HydrophobicContact CD1-CG1 3.63Å; L3-V172 HydrophobicContact CD1-CG2 4.29Å; L3-V224 HydrophobicContact CD1-CG2 4.5Å; L3-D228 PolarHBondContact N-O 2.84Å; L3-V230 HydrophobicContact CB-CG1 4.07Å; L3-V230 HydrophobicContact CD1-CG1 3.92Å
4K86.3Confident90.6Very high149 Ų14945.5 Ų45.565%0.64821%0.211SC*.G310 helixtrans-63.9-18.1179.370.5-167.8175.7-162.90113.9E2E2-K4 HydrophobicContact CB-CD 4.44Å; E2-K4 HydrophobicContact CB-CG 3.98Å; E2-K4 PolarHBondContact O-N 2.77Å; E2-K4 VanDerWaalsContact O-N 3.16Å
5D89.1Confident90.6Very high37 Ų3742.5 Ų42.520%0.19820%0.197CC..G310 helixtrans-97.6-5.6-176.9-64.2-47.9000112.7M1 E2 L3 E7 K8M1-D5 HydrophobicContact CG-CB 3.79Å; M1-D5 HydrophobicContact SD-CB 4.01Å; E2-D5 PolarHBondContact O-N 3.09Å; L3-D5 PolarHBondContact O-N 3.14Å; D5-E7 VanDerWaalsContact C-N 3.27Å; D5-E7 PolarHBondContact O-N 2.91Å; D5-K8 HydrophobicContact CB-CD 4.25Å; D5-K8 VanDerWaalsContact O-CB 3.27Å; D5-K8 WeakPolarHBondContact O-CB 3.37Å; D5-K8 PolarHBondContact O-N 2.91Å; D5-K8 WeakPolarHBondContact OD1-CE 3.36Å; D5-K8 IonicContact OD1-NZ 2.8Å; D5-K8 PolarHBondContact OD1-NZ 2.8Å
6V90.9Very high90.6Very high0 Ų042.6 Ų42.60%020%0.204CC..G310 helixtrans-55.2-41.5179.7173.70000112.3M1 L3 K8 C9 V172 C174 L190 F222 V230M1-V6 HydrophobicContact CE-CB 4.46Å; M1-V6 HydrophobicContact CE-CG2 3.9Å; L3-V6 HydrophobicContact CD1-CG2 4.16Å; L3-V6 WeakPolarHBondContact O-CB 3.31Å; L3-V6 VanDerWaalsContact O-CG2 3.3Å; L3-V6 WeakPolarHBondContact O-CG2 3.49Å; L3-V6 PolarHBondContact O-N 3.44Å; V6-K8 PolarHBondContact O-N 2.76Å; V6-K8 VanDerWaalsContact O-N 3.12Å; V6-C9 WeakPolarHBondContact O-CB 3.42Å; V6-C9 PolarHBondContact O-N 3.3Å; V6-V172 HydrophobicContact CG1-CG1 4.44Å; V6-V172 HydrophobicContact CG2-CG1 4.23Å; V6-C174 HydrophobicContact CG1-CB 3.48Å; V6-C174 VanDerWaalsContact CG1-CB 3.48Å; V6-L190 HydrophobicContact CB-CD2 4.12Å; V6-L190 HydrophobicContact CG1-CD2 3.67Å; V6-F222 HydrophobicContact CG1-CD2 3.71Å; V6-F222 HydrophobicContact CG1-CE2 3.65Å; V6-F222 HydrophobicContact CG1-CG 4.32Å; V6-F222 HydrophobicContact CG1-CZ 4.19Å; V6-V230 HydrophobicContact CG2-CB 4.31Å; V6-V230 HydrophobicContact CG2-CG1 4.33Å; V6-V230 HydrophobicContact CG2-CG2 3.58Å
7E90.8Very high90Very high84 Ų8441.6 Ų41.639%0.39321%0.207SC..G310 helixtrans-58.2-28.4179.964.7173.2-159.900112.7D5 C9 C10D5-E7 VanDerWaalsContact C-N 3.27Å; D5-E7 PolarHBondContact O-N 2.91Å; E7-C9 PolarHBondContact O-N 3.43Å; E7-C10 PolarHBondContact O-N 2.9Å; E7-C10 VanDerWaalsContact O-N 3.15Å
8K88.7Confident88.7Confident126 Ų12642.2 Ų42.255%0.54821%0.214SC..G310 helixtrans-72.2-19.3179.9-58.1174.3178.7168.20112.4D5 V6 C10 I30D5-K8 HydrophobicContact CB-CD 4.25Å; D5-K8 VanDerWaalsContact O-CB 3.27Å; D5-K8 WeakPolarHBondContact O-CB 3.37Å; D5-K8 PolarHBondContact O-N 2.91Å; D5-K8 WeakPolarHBondContact OD1-CE 3.36Å; D5-K8 IonicContact OD1-NZ 2.8Å; D5-K8 PolarHBondContact OD1-NZ 2.8Å; V6-K8 PolarHBondContact O-N 2.76Å; V6-K8 VanDerWaalsContact O-N 3.12Å; K8-C10 VanDerWaalsContact C-N 3.32Å; K8-I30 WeakPolarHBondContact O-CD1 3.34Å
9C91.2Very high86.8Confident9 Ų946.5 Ų46.56%0.06125%0.245CC..G310 helixtrans-82.6-11.3174.8-60.50000112.2V6 E7 V29 I30 F222V6-C9 WeakPolarHBondContact O-CB 3.42Å; V6-C9 PolarHBondContact O-N 3.3Å; E7-C9 PolarHBondContact O-N 3.43Å; C9-V29 HydrophobicContact CB-CG2 4.38Å; C9-V29 CarbonylContact O-C 3.54Å; C9-V29 WeakPolarHBondContact O-CA 3.41Å; C9-I30 PolarHBondContact O-N 2.86Å; C9-F222 HydrophobicContact CB-CZ 4.1Å
10C93.3Very high85.3Confident5 Ų548.7 Ų48.73%0.03428%0.279CS..EExtended strand (participates in β ladder)trans-92.8140.2-177.9-174.50000111.9E7 K8 C174 S176E7-C10 PolarHBondContact O-N 2.9Å; E7-C10 VanDerWaalsContact O-N 3.15Å; K8-C10 VanDerWaalsContact C-N 3.32Å; C10-C174 WeakPolarHBondContact CB-SG 3.44Å; C10-S176 PolarHBondContact SG-OG 3.07Å
11C93.9Very high84.3Confident0 Ų052.7 Ų52.70%029%0.289CS..EExtended strand (participates in β ladder)trans-138.1168.2170.564.20000111.1S27 G28 I30 V38 V75 C76 L77C11-S27 CarbonylContact O-C 3.57Å; C11-S27 WeakPolarHBondContact O-CA 3.34Å; C11-G28 PolarHBondContact N-O 3.46Å; C11-G28 PolarHBondContact O-N 3.09Å; C11-G28 PolarHBondContact SG-O 2.86Å; C11-I30 HydrophobicContact CB-CD1 4.44Å; C11-V38 VanDerWaalsContact SG-CG1 3.55Å; C11-V75 HydrophobicContact CB-CG1 3.92Å; C11-C76 WeakPolarHBondContact CA-O 3.49Å; C11-C76 WeakPolarHBondContact CB-O 3.36Å; C11-L77 HydrophobicContact CB-CD2 3.72Å
12V94.6Very high83.5Confident0 Ų058.8 Ų58.80%031%0.314CS..EExtended strand (participates in β ladder)trans-110.2130.9170.2-178.20000110.1V75 C76 S176 L183 I187V12-V75 CarbonylContact O-C 3.59Å; V12-V75 WeakPolarHBondContact O-CA 3.46Å; V12-C76 HydrophobicContact CB-CB 4.18Å; V12-C76 PolarHBondContact N-O 3.42Å; V12-C76 PolarHBondContact O-N 3.46Å; V12-S176 WeakPolarHBondContact CG2-OG 3.46Å; V12-L183 HydrophobicContact CB-CD2 3.59Å; V12-L183 HydrophobicContact CG1-CD2 3.81Å; V12-L183 HydrophobicContact CG2-CD2 3.38Å; V12-I187 HydrophobicContact CG2-CG1 4.41Å
13I94.3Very high83Confident0 Ų058.1 Ų58.10%032%0.319CS..EExtended strand (participates in β ladder)trans-100.9124.6176.6-50-55000108V15 S25 C26 V38 C40 F45 I73 V75 L142I13-V15 HydrophobicContact CG2-CG2 4.07Å; I13-S25 CarbonylContact O-C 3.43Å; I13-S25 WeakPolarHBondContact O-CA 3.31Å; I13-S25 WeakPolarHBondContact O-CB 3.28Å; I13-C26 PolarHBondContact N-O 3.15Å; I13-C26 PolarHBondContact O-N 3.43Å; I13-V38 HydrophobicContact CD1-CG1 4.07Å; I13-C40 HydrophobicContact CG1-CB 4.12Å; I13-F45 HydrophobicContact CG2-CZ 3.98Å; I13-I73 HydrophobicContact CG2-CG2 4.16Å; I13-V75 HydrophobicContact CD1-CB 4.31Å; I13-V75 HydrophobicContact CD1-CG1 3.95Å; I13-V75 HydrophobicContact CD1-CG2 3.8Å; I13-L142 HydrophobicContact CD1-CD1 3.81Å; I13-L142 HydrophobicContact CG1-CD1 4.16Å; I13-L142 HydrophobicContact CG2-CD1 3.89Å
14K92.5Very high82.9Confident56 Ų5658.6 Ų58.624%0.24332%0.323CS..EExtended strand (participates in β ladder)trans-110.7129.4171.6-61.3178.7-177.4170.20109.5I73 R74 E90K14-I73 WeakPolarHBondContact O-CA 3.33Å; K14-R74 HydrophobicContact CB-CB 4.27Å; K14-R74 PolarHBondContact N-O 3.14Å; K14-R74 PolarHBondContact O-N 2.8Å; K14-E90 IonicContact NZ-OE1 2.78Å
15V91.2Very high83.1Confident1 Ų152.5 Ų52.51%0.00630%0.299CS..EExtended strand (participates in β ladder)trans-119.5130.1179.9-169.40000109.2I13 V24 P44 F45 F48 L71I13-V15 HydrophobicContact CG2-CG2 4.07Å; V15-V24 PolarHBondContact N-O 3.42Å; V15-V24 PolarHBondContact O-N 3.41Å; V15-P44 HydrophobicContact CB-CB 4.32Å; V15-P44 HydrophobicContact CG2-CB 3.96Å; V15-F45 HydrophobicContact CG2-CD1 4.43Å; V15-F45 HydrophobicContact CG2-CE1 3.94Å; V15-F45 HydrophobicContact CG2-CE2 4.26Å; V15-F45 HydrophobicContact CG2-CZ 3.85Å; V15-F48 HydrophobicContact CB-CE2 4.46Å; V15-F48 HydrophobicContact CG1-CD2 3.85Å; V15-F48 HydrophobicContact CG1-CE2 3.44Å; V15-F48 VanDerWaalsContact CG1-CE2 3.44Å; V15-F48 HydrophobicContact CG1-CZ 4.1Å; V15-L71 HydrophobicContact CG1-CD1 3.31Å
16S90.3Very high83.2Confident44 Ų4451 Ų5131%0.30829%0.291SS..EExtended strand (participates in β ladder)trans-148.2167.2-178.961.40000111K72S16-K72 PolarHBondContact N-O 3.07Å; S16-K72 PolarHBondContact O-N 2.94Å
17G80.4Confident83.4Confident25 Ų2551 Ų5126%0.25829%0.291SS..  trans173.8-40.1170.300000117.5K70G17-K70 WeakPolarHBondContact CA-O 3.37Å
18T65.9Low83.7Confident53 Ų5347 Ų4733%0.32527%0.273SS..SBendtrans-90.3127178.944.10000111.4G20 R21T18-G20 PolarHBondContact O-N 2.96Å; T18-R21 PolarHBondContact O-N 3.16Å; T18-R21 WeakPolarHBondContact OG1-CB 3.33Å
19P53.8Low84.1Confident124 Ų12441 Ų4181%0.80525%0.247SC*.THydrogen-bonded Turntrans-54127.3170.8-21.331.4000110.4
20G56Low84.2Confident89 Ų8940.7 Ų40.792%0.91825%0.245SC*.THydrogen-bonded Turntrans93.9-12.217800000116.8T18T18-G20 PolarHBondContact O-N 2.96Å
21R65.4Low84.2Confident133 Ų13340.5 Ų40.550%0.50224%0.243SC..SBendtrans-93.7137168.3-77.5-173.3164.9-167.2-10.9110.6T18 E128T18-R21 PolarHBondContact O-N 3.16Å; T18-R21 WeakPolarHBondContact OG1-CB 3.33Å; R21-E128 IonicContact NH2-OE2 3.45Å; R21-E128 PolarHBondContact NH2-OE2 2.92Å
22K68.9Low84Confident186 Ų18641.8 Ų41.881%0.80925%0.249SC*.PPolyproline II helixtrans-60138.4175.8-69.3-179.9-177.7171.80110
23S78.1Confident83.6Confident74 Ų7443.2 Ų43.252%0.51726%0.258SS..PPolyproline II helixtrans-62139.817056.40000110
24V86Confident83.1Confident36 Ų3652.1 Ų52.122%0.21829%0.292CS..EExtended strand (participates in β ladder)trans-105.9144.6175.9-174.80000108.7V15 P44 R47V15-V24 PolarHBondContact N-O 3.42Å; V15-V24 PolarHBondContact O-N 3.41Å; V24-P44 HydrophobicContact CB-CB 4.41Å; V24-P44 HydrophobicContact CG1-CB 4.04Å; V24-P44 HydrophobicContact CG1-CG 4.19Å; V24-R47 VanDerWaalsContact CG2-NH1 3.3Å
25S89.1Confident82.7Confident21 Ų2151.4 Ų51.415%0.14729%0.294CS..EExtended strand (participates in β ladder)trans-128.4152.4172.865.80000112.5I13 S180I13-S25 CarbonylContact O-C 3.43Å; I13-S25 WeakPolarHBondContact O-CA 3.31Å; I13-S25 WeakPolarHBondContact O-CB 3.28Å; S25-S180 VanDerWaalsContact OG-CB 3.25Å; S25-S180 WeakPolarHBondContact OG-CB 3.29Å; S25-S180 PolarHBondContact OG-N 3.22Å; S25-S180 PolarHBondContact OG-OG 2.88Å
26C92.4Very high82.6Confident4 Ų451.3 Ų51.33%0.02729%0.294CS..EExtended strand (participates in β ladder)trans-143.5172169650000109.5I13 T41 P44 E217I13-C26 PolarHBondContact N-O 3.15Å; I13-C26 PolarHBondContact O-N 3.43Å; C26-T41 HydrophobicContact CB-CG2 3.69Å; C26-P44 HydrophobicContact CB-CG 4.11Å; C26-E217 WeakPolarHBondContact CB-O 3.33Å
27S95.6Very high82.7Confident0 Ų049.3 Ų49.30%028%0.28CS..EExtended strand (participates in β ladder)trans-78.6162.4169.8-64.50000110.9C11 C40 S176 G215 T216 E217 G218C11-S27 CarbonylContact O-C 3.57Å; C11-S27 WeakPolarHBondContact O-CA 3.34Å; S27-C40 WeakPolarHBondContact O-CB 3.38Å; S27-S176 PolarHBondContact OG-N 3.29Å; S27-G215 PolarHBondContact N-O 2.86Å; S27-G215 VanDerWaalsContact N-O 3.09Å; S27-G215 PolarHBondContact OG-O 3.23Å; S27-T216 WeakPolarHBondContact OG-CA 3.46Å; S27-E217 CarbonylContact C-O 3.56Å; S27-E217 WeakPolarHBondContact CA-O 3.41Å; S27-E217 WeakPolarHBondContact CB-O 3.31Å; S27-E217 PolarHBondContact N-O 2.8Å; S27-E217 VanDerWaalsContact O-O 3.12Å; S27-G218 CarbonylContact O-C 3.57Å; S27-G218 WeakPolarHBondContact O-CA 3.43Å
28G96.2Very high83.4Confident0 Ų048.1 Ų48.10%027%0.267CS..EExtended strand (participates in β ladder)trans-142155.2169.200000110.4C11 L39 G218C11-G28 PolarHBondContact N-O 3.46Å; C11-G28 PolarHBondContact O-N 3.09Å; C11-G28 PolarHBondContact SG-O 2.86Å; G28-L39 WeakPolarHBondContact CA-O 3.38Å; G28-G218 CarbonylContact C-O 3.54Å; G28-G218 WeakPolarHBondContact CA-O 3.23Å
29V96.3Very high84.9Confident1 Ų145.8 Ų45.81%0.00625%0.253CS..EExtended strand (participates in β ladder)trans-110.7124.7172.961.50000109.9C9 V31 V38 L39 G218 F222 L232 V235C9-V29 HydrophobicContact CB-CG2 4.38Å; C9-V29 CarbonylContact O-C 3.54Å; C9-V29 WeakPolarHBondContact O-CA 3.41Å; V29-V31 HydrophobicContact CG1-CG1 4.17Å; V29-V31 PolarHBondContact O-N 2.89Å; V29-V38 WeakPolarHBondContact O-CA 3.26Å; V29-L39 HydrophobicContact CG1-CB 3.98Å; V29-L39 PolarHBondContact N-O 3.03Å; V29-L39 PolarHBondContact O-N 3.41Å; V29-G218 PolarHBondContact N-O 2.91Å; V29-F222 HydrophobicContact CG2-CZ 4.16Å; V29-L232 HydrophobicContact CG1-CD2 4.5Å; V29-L232 HydrophobicContact CG2-CD1 4.17Å; V29-L232 HydrophobicContact CG2-CD2 4.12Å; V29-V235 HydrophobicContact CG1-CG2 4.2Å
30I94.8Very high86.9Confident3 Ų339.9 Ų39.92%0.01521%0.214CC..EExtended strand (participates in β ladder)trans-75.7113173.2-58.4157.3000106.8K8 C9 C11 P33 V38 L77 V147 T157K8-I30 WeakPolarHBondContact O-CD1 3.34Å; C9-I30 PolarHBondContact O-N 2.86Å; C11-I30 HydrophobicContact CB-CD1 4.44Å; I30-P33 HydrophobicContact CG2-CB 4.25Å; I30-P33 HydrophobicContact CG2-CG 3.94Å; I30-V38 HydrophobicContact CG1-CG2 3.96Å; I30-L77 HydrophobicContact CD1-CD2 3.78Å; I30-V147 HydrophobicContact CD1-CG1 4.36Å; I30-T157 PolarHBondContact O-OG1 2.99Å
31V93.4Very high88.8Confident1 Ų135.9 Ų35.91%0.00617%0.172CC..EExtended strand (participates in β ladder)trans-96.5-25.9-178.3-65.20000112V29 T37 L39 T157 L232 F260 L273 V276V29-V31 HydrophobicContact CG1-CG1 4.17Å; V29-V31 PolarHBondContact O-N 2.89Å; V31-T37 HydrophobicContact CG2-CG2 3.72Å; V31-T37 WeakPolarHBondContact CG2-O 3.21Å; V31-T37 PolarHBondContact N-O 2.93Å; V31-L39 HydrophobicContact CG1-CB 4.07Å; V31-T157 PolarHBondContact O-N 3.27Å; V31-L232 HydrophobicContact CG1-CD2 4.07Å; V31-F260 HydrophobicContact CB-CZ 4.32Å; V31-F260 HydrophobicContact CG1-CE1 4.27Å; V31-F260 HydrophobicContact CG1-CZ 4.05Å; V31-L273 HydrophobicContact CG2-CD2 3.7Å; V31-V276 HydrophobicContact CB-CG2 4.48Å; V31-V276 HydrophobicContact CG2-CG2 4.49Å
32H89.9Confident90Very high26 Ų2629.6 Ų29.612%0.1215%0.148CC..EExtended strand (participates in β ladder)trans-143.193.6176.5-167.9-98.1000110.4R34 S35 G36 T37 E155 V276H32-R34 VanDerWaalsContact C-N 3.29Å; H32-R34 PolarHBondContact O-N 2.78Å; H32-S35 VanDerWaalsContact ND1-CB 3.3Å; H32-S35 WeakPolarHBondContact ND1-CB 3.44Å; H32-S35 PolarHBondContact ND1-N 2.85Å; H32-S35 VanDerWaalsContact ND1-N 3.15Å; H32-S35 PolarHBondContact ND1-OG 3.3Å; H32-S35 PolarHBondContact O-N 2.83Å; H32-S35 PolarHBondContact O-OG 2.95Å; H32-G36 PolarHBondContact O-N 3.45Å; H32-T37 PolarHBondContact N-O 2.89Å; H32-T37 PolarHBondContact O-N 2.8Å; H32-E155 PolarHBondContact CD2-O 3.38Å; H32-E155 PolarHBondContact NE2-O 3.33Å; H32-V276 HydrophobicContact CB-CG2 3.72Å
33P85.4Confident90.9Very high30 Ų3021.6 Ų21.620%0.19511%0.114CC..THydrogen-bonded Turntrans-58.4-36.1-175-26.534.7000114.1I30 G36I30-P33 HydrophobicContact CG2-CB 4.25Å; I30-P33 HydrophobicContact CG2-CG 3.94Å; P33-G36 PolarHBondContact O-N 2.97Å
34R82.6Confident91.4Very high187 Ų18718.4 Ų18.471%0.7069%0.092SC*.THydrogen-bonded Turntrans-65.7-42.2-176.6-174.7178.7-178.8-177.51.8113H32 G36H32-R34 VanDerWaalsContact C-N 3.29Å; H32-R34 PolarHBondContact O-N 2.78Å; R34-G36 VanDerWaalsContact C-N 3.34Å
35S84.6Confident91.7Very high41 Ų4116.7 Ų16.729%0.2878%0.082SC..THydrogen-bonded Turntrans-85.3-10.5174.662.90000112.8H32 T37H32-S35 VanDerWaalsContact ND1-CB 3.3Å; H32-S35 WeakPolarHBondContact ND1-CB 3.44Å; H32-S35 PolarHBondContact ND1-N 2.85Å; H32-S35 VanDerWaalsContact ND1-N 3.15Å; H32-S35 PolarHBondContact ND1-OG 3.3Å; H32-S35 PolarHBondContact O-N 2.83Å; H32-S35 PolarHBondContact O-OG 2.95Å; S35-T37 VanDerWaalsContact C-N 3.29Å; S35-T37 PolarHBondContact OG-N 3.34Å; S35-T37 PolarHBondContact OG-OG1 3.03Å
36G88.7Confident91.5Very high0 Ų015.7 Ų15.70%08%0.075CC..THydrogen-bonded Turntrans67.228.3-170.400000113.1H32 P33 R34 V38 A144H32-G36 PolarHBondContact O-N 3.45Å; P33-G36 PolarHBondContact O-N 2.97Å; R34-G36 VanDerWaalsContact C-N 3.34Å; G36-V38 PolarHBondContact O-N 2.97Å; G36-A144 PolarHBondContact O-N 3.08Å
37T92.9Very high91.1Very high2 Ų218.3 Ų18.31%0.0128%0.084CC..EExtended strand (participates in β ladder)trans-74.7126.4178.5-550000110.1V31 H32 S35 V141 L142 P272 L273V31-T37 HydrophobicContact CG2-CG2 3.72Å; V31-T37 WeakPolarHBondContact CG2-O 3.21Å; V31-T37 PolarHBondContact N-O 2.93Å; H32-T37 PolarHBondContact N-O 2.89Å; H32-T37 PolarHBondContact O-N 2.8Å; S35-T37 VanDerWaalsContact C-N 3.29Å; S35-T37 PolarHBondContact OG-N 3.34Å; S35-T37 PolarHBondContact OG-OG1 3.03Å; T37-V141 HydrophobicContact CG2-CG1 3.89Å; T37-L142 WeakPolarHBondContact CA-O 3.48Å; T37-P272 PolarHBondContact OG1-O 2.95Å; T37-L273 HydrophobicContact CG2-CD2 3.79Å
38V95.8Very high90.7Very high0 Ų019.4 Ų19.40%09%0.089CC..EExtended strand (participates in β ladder)trans-124.4138.7179.8179.30000109.7C11 I13 V29 I30 G36 L142 A144C11-V38 VanDerWaalsContact SG-CG1 3.55Å; I13-V38 HydrophobicContact CD1-CG1 4.07Å; V29-V38 WeakPolarHBondContact O-CA 3.26Å; I30-V38 HydrophobicContact CG1-CG2 3.96Å; G36-V38 PolarHBondContact O-N 2.97Å; V38-L142 HydrophobicContact CB-CB 4.3Å; V38-L142 PolarHBondContact N-O 2.84Å; V38-L142 PolarHBondContact O-N 2.91Å; V38-A144 HydrophobicContact CG2-CB 4.41Å
39L97.2Very high90.3Very high3 Ų320 Ų202%0.0169%0.092CC..EExtended strand (participates in β ladder)trans-110.5135.3172.7-175.264.6000109.3G28 V29 V31 F139 V141 V235 V256 I259 F260G28-L39 WeakPolarHBondContact CA-O 3.38Å; V29-L39 HydrophobicContact CG1-CB 3.98Å; V29-L39 PolarHBondContact N-O 3.03Å; V29-L39 PolarHBondContact O-N 3.41Å; V31-L39 HydrophobicContact CG1-CB 4.07Å; L39-F139 HydrophobicContact CD1-CB 4.01Å; L39-V141 HydrophobicContact CD1-CG2 4.23Å; L39-V235 HydrophobicContact CD2-CG2 3.5Å; L39-V235 VanDerWaalsContact CD2-CG2 3.5Å; L39-V235 HydrophobicContact CG-CG2 4.06Å; L39-V256 HydrophobicContact CD2-CG2 4.27Å; L39-I259 HydrophobicContact CD1-CG2 3.92Å; L39-I259 HydrophobicContact CD2-CD1 4.2Å; L39-I259 HydrophobicContact CD2-CG2 3.89Å; L39-F260 HydrophobicContact CD2-CE1 4.14Å
40C96.5Very high89.9Confident0 Ų024.6 Ų24.60%012%0.121CC..EExtended strand (participates in β ladder)trans-149.6178.5173.164.30000111.9I13 S27 F139 A140I13-C40 HydrophobicContact CG1-CB 4.12Å; S27-C40 WeakPolarHBondContact O-CB 3.38Å; C40-F139 CarbonylContact O-C 3.52Å; C40-F139 WeakPolarHBondContact O-CA 3.21Å; C40-A140 PolarHBondContact N-O 3.24Å; C40-A140 VanDerWaalsContact N-O 3.09Å; C40-A140 PolarHBondContact O-N 2.75Å
41T94.4Very high89.5Confident6 Ų627.7 Ų27.74%0.03714%0.137CC..EExtended strand (participates in β ladder)trans-63.2137.9172.7177.50000110.9C26 L43 P44 E217C26-T41 HydrophobicContact CB-CG2 3.69Å; T41-L43 VanDerWaalsContact C-N 3.29Å; T41-L43 PolarHBondContact OG1-N 3.33Å; T41-P44 HydrophobicContact CG2-CG 4.38Å; T41-E217 HydrophobicContact CG2-CB 3.85Å
42G92.3Very high88.8Confident0 Ų033 Ų330%016%0.157CC..SBendtrans-77.2-15177.900000113.9F45 C46 W138G42-F45 WeakPolarHBondContact O-CA 3.37Å; G42-F45 WeakPolarHBondContact O-CB 3.2Å; G42-F45 PolarHBondContact O-N 3.37Å; G42-C46 PolarHBondContact O-N 3.23Å; G42-C46 PolarHBondContact O-SG 3.24Å; G42-W138 WeakPolarHBondContact CA-O 3.32Å; G42-W138 PolarHBondContact N-O 2.65Å
43L87.7Confident88.3Confident18 Ų1838.6 Ų38.69%0.09418%0.183CC..Hα-helixtrans-56.6-43.2-170.1-176.673.6000114.6T41 F45 C46 R131T41-L43 VanDerWaalsContact C-N 3.29Å; T41-L43 PolarHBondContact OG1-N 3.33Å; L43-F45 PolarHBondContact O-N 3.3Å; L43-C46 WeakPolarHBondContact O-CB 3.43Å; L43-C46 PolarHBondContact O-N 3.12Å; L43-R131 HydrophobicContact CD1-CG 4.09Å; L43-R131 HydrophobicContact CD2-CG 4.19Å
44P88.3Confident88Confident8 Ų839.5 Ų39.55%0.05219%0.186CC..Hα-helixtrans-61.8-26.4176.8-25.537.4000113.7V15 V24 C26 T41 F48V15-P44 HydrophobicContact CB-CB 4.32Å; V15-P44 HydrophobicContact CG2-CB 3.96Å; V24-P44 HydrophobicContact CB-CB 4.41Å; V24-P44 HydrophobicContact CG1-CB 4.04Å; V24-P44 HydrophobicContact CG1-CG 4.19Å; C26-P44 HydrophobicContact CB-CG 4.11Å; T41-P44 HydrophobicContact CG2-CG 4.38Å; P44-F48 WeakPolarHBondContact O-CD2 3.28Å
45F90.9Very high87.7Confident0 Ų031.5 Ų31.50%016%0.158CC..Hα-helixtrans-82.3-28.7-178.2-57.1-93.6000112.2I13 V15 G42 L43 R47 F48 F67 L71 I73 L95 L98 A140 L142I13-F45 HydrophobicContact CG2-CZ 3.98Å; V15-F45 HydrophobicContact CG2-CD1 4.43Å; V15-F45 HydrophobicContact CG2-CE1 3.94Å; V15-F45 HydrophobicContact CG2-CE2 4.26Å; V15-F45 HydrophobicContact CG2-CZ 3.85Å; G42-F45 WeakPolarHBondContact O-CA 3.37Å; G42-F45 WeakPolarHBondContact O-CB 3.2Å; G42-F45 PolarHBondContact O-N 3.37Å; L43-F45 PolarHBondContact O-N 3.3Å; F45-R47 PolarHBondContact O-N 3.36Å; F45-F48 PolarHBondContact O-N 2.85Å; F45-F67 HydrophobicContact CB-CE1 3.91Å; F45-L71 HydrophobicContact CD1-CD2 4.42Å; F45-I73 HydrophobicContact CD1-CD1 4.41Å; F45-I73 HydrophobicContact CE1-CD1 3.73Å; F45-I73 HydrophobicContact CE1-CG1 3.94Å; F45-L95 HydrophobicContact CD1-CD1 4.27Å; F45-L95 HydrophobicContact CD1-CD2 4.23Å; F45-L95 HydrophobicContact CE1-CD1 4.32Å; F45-L98 HydrophobicContact CB-CD1 4.24Å; F45-L98 HydrophobicContact CD2-CD1 4.49Å; F45-A140 HydrophobicContact CD2-CB 3.66Å; F45-A140 HydrophobicContact CE2-CB 3.44Å; F45-A140 VanDerWaalsContact CE2-CB 3.44Å; F45-A140 HydrophobicContact CG-CB 4.31Å; F45-A140 HydrophobicContact CZ-CB 3.92Å; F45-L142 HydrophobicContact CE1-CD2 3.95Å; F45-L142 HydrophobicContact CZ-CD1 4.04Å; F45-L142 HydrophobicContact CZ-CD2 3.83Å; F45-L142 HydrophobicContact CZ-CG 4.47Å
46C85.4Confident86.9Confident0 Ų032.8 Ų32.80%017%0.167CC..Hα-helixtrans-53.9-29.7177.9-63.80000112.9G42 L43 F48 V49 L55G42-C46 PolarHBondContact O-N 3.23Å; G42-C46 PolarHBondContact O-SG 3.24Å; L43-C46 WeakPolarHBondContact O-CB 3.43Å; L43-C46 PolarHBondContact O-N 3.12Å; C46-F48 PolarHBondContact O-N 2.98Å; C46-V49 PolarHBondContact O-N 3.31Å; C46-L55 HydrophobicContact CB-CD1 3.72Å; C46-L55 HydrophobicContact CB-CD2 4.43Å
47R83.4Confident85.8Confident58 Ų5834.9 Ų34.922%0.21918%0.181CC..THydrogen-bonded Turntrans-65.1-17.5176.3-65.4-179.1-178.9-162.1-4.1114.3V24 F45 D126 L129V24-R47 VanDerWaalsContact CG2-NH1 3.3Å; F45-R47 PolarHBondContact O-N 3.36Å; R47-D126 IonicContact CZ-OD2 3.05Å; R47-D126 IonicContact NH1-OD2 2.95Å; R47-D126 VanDerWaalsContact NH2-CG 3.28Å; R47-D126 IonicContact NH2-OD1 3.8Å; R47-D126 IonicContact NH2-OD2 3.67Å; R47-D126 PolarHBondContact NH2-OD2 2.76Å; R47-L129 HydrophobicContact CG-CD1 3.73Å
48F87.4Confident84.7Confident23 Ų2342 Ų4210%0.10122%0.219CC..THydrogen-bonded Turntrans-112.73.6-174.2-61.2-89.6000112.8V15 P44 F45 C46 F67 S68 L71V15-F48 HydrophobicContact CB-CE2 4.46Å; V15-F48 HydrophobicContact CG1-CD2 3.85Å; V15-F48 HydrophobicContact CG1-CE2 3.44Å; V15-F48 VanDerWaalsContact CG1-CE2 3.44Å; V15-F48 HydrophobicContact CG1-CZ 4.1Å; P44-F48 WeakPolarHBondContact O-CD2 3.28Å; F45-F48 PolarHBondContact O-N 2.85Å; C46-F48 PolarHBondContact O-N 2.98Å; F48-F67 HydrophobicContact CB-CD1 4.35Å; F48-F67 CarbonylContact O-C 3.55Å; F48-F67 VanDerWaalsContact O-CA 3.3Å; F48-F67 WeakPolarHBondContact O-CA 3.37Å; F48-S68 PolarHBondContact O-N 2.67Å; F48-L71 HydrophobicContact CB-CB 4.44Å; F48-L71 HydrophobicContact CB-CD1 4.11Å; F48-L71 HydrophobicContact CB-CD2 4.48Å; F48-L71 HydrophobicContact CD1-CB 4.42Å; F48-L71 HydrophobicContact CD1-CD1 4.11Å; F48-L71 HydrophobicContact CD2-CD1 3.83Å; F48-L71 HydrophobicContact CE2-CD1 4.28Å; F48-L71 HydrophobicContact CG-CD1 3.75Å
49V88.6Confident84.1Confident12 Ų1243 Ų437%0.07323%0.227CC..BIsolated β-bridgetrans-66.7131.4173.2-1770000108.8C46 D51 L55 L62 S66 F67C46-V49 PolarHBondContact O-N 3.31Å; V49-D51 WeakPolarHBondContact CG1-O 3.33Å; V49-L55 HydrophobicContact CB-CD1 4.31Å; V49-L55 HydrophobicContact CG2-CD1 4.06Å; V49-L55 HydrophobicContact CG2-CD2 4.24Å; V49-L55 HydrophobicContact CG2-CG 4.27Å; V49-L62 HydrophobicContact CG1-CD1 4.23Å; V49-L62 HydrophobicContact CG2-CD1 4.06Å; V49-S66 WeakPolarHBondContact CA-O 3.28Å; V49-F67 HydrophobicContact CG2-CD1 3.95Å; V49-F67 HydrophobicContact CG2-CE1 3.47Å; V49-F67 VanDerWaalsContact CG2-CE1 3.47Å; V49-F67 HydrophobicContact CG2-CZ 4.02Å
50T88.5Confident83.7Confident98 Ų9846.1 Ų46.160%0.60124%0.242SC*.SBendtrans-72.7-32.7-176.649.60000112.7S66T50-S66 PolarHBondContact N-O 2.99Å; T50-S66 PolarHBondContact OG1-O 2.87Å; T50-S66 VanDerWaalsContact OG1-O 3.13Å
51D85Confident83.5Confident68 Ų6847.7 Ų47.736%0.36425%0.252SS..  trans-121.9109.6175.5178.24.9000110.3V49 E53 L54V49-D51 WeakPolarHBondContact CG1-O 3.33Å; D51-E53 VanDerWaalsContact C-N 3.28Å; D51-E53 PolarHBondContact O-N 3.43Å; D51-E53 WeakPolarHBondContact OD1-CB 3.16Å; D51-E53 PolarHBondContact OD1-N 3.35Å; D51-L54 HydrophobicContact CB-CD1 3.94Å; D51-L54 HydrophobicContact CB-CG 4.05Å; D51-L54 WeakPolarHBondContact O-CB 3.49Å; D51-L54 PolarHBondContact O-N 3.4Å
52R78.7Confident83.5Confident112 Ų11247.7 Ų47.742%0.42325%0.251SS..THydrogen-bonded Turntrans-71.5-20.5-176.7-71.2-159-179.9-145.112.1113.6L54 L55R52-L54 PolarHBondContact O-N 3.21Å; R52-L55 PolarHBondContact O-N 2.98Å
53E79.8Confident83.5Confident144 Ų14450.5 Ų50.567%0.67326%0.263SS*.Hα-helixtrans-63.4-25177.2-62.9-172.2173.100111.4D51 L55 S56 S57D51-E53 VanDerWaalsContact C-N 3.28Å; D51-E53 PolarHBondContact O-N 3.43Å; D51-E53 WeakPolarHBondContact OD1-CB 3.16Å; D51-E53 PolarHBondContact OD1-N 3.35Å; E53-L55 PolarHBondContact O-N 3.36Å; E53-S56 PolarHBondContact O-N 2.91Å; E53-S56 PolarHBondContact O-OG 2.97Å; E53-S56 VanDerWaalsContact O-OG 3.05Å; E53-S57 VanDerWaalsContact O-CB 3.3Å; E53-S57 WeakPolarHBondContact O-CB 3.34Å; E53-S57 PolarHBondContact O-N 3.45Å
54L79.9Confident83.8Confident49 Ų4952.6 Ų52.626%0.25728%0.278SS..Hα-helixtrans-63.2-27.2175.3-61.4177.1000113.1D51 R52 S57 L62D51-L54 HydrophobicContact CB-CD1 3.94Å; D51-L54 HydrophobicContact CB-CG 4.05Å; D51-L54 WeakPolarHBondContact O-CB 3.49Å; D51-L54 PolarHBondContact O-N 3.4Å; R52-L54 PolarHBondContact O-N 3.21Å; L54-S57 PolarHBondContact O-OG 2.93Å; L54-L62 HydrophobicContact CB-CD2 3.79Å; L54-L62 HydrophobicContact CD1-CD2 4.14Å; L54-L62 HydrophobicContact CG-CD2 4.47Å
55L76.2Confident84Confident20 Ų2061.7 Ų61.711%0.10531%0.311CS..Hα-helixtrans-82.2-25.4178.7-67171.2000113C46 V49 R52 E53 L62 L98 W138C46-L55 HydrophobicContact CB-CD1 3.72Å; C46-L55 HydrophobicContact CB-CD2 4.43Å; V49-L55 HydrophobicContact CB-CD1 4.31Å; V49-L55 HydrophobicContact CG2-CD1 4.06Å; V49-L55 HydrophobicContact CG2-CD2 4.24Å; V49-L55 HydrophobicContact CG2-CG 4.27Å; R52-L55 PolarHBondContact O-N 2.98Å; E53-L55 PolarHBondContact O-N 3.36Å; L55-L62 HydrophobicContact CD2-CD1 3.86Å; L55-L98 HydrophobicContact CD2-CD2 4.37Å; L55-W138 HydrophobicContact CD2-CD2 4.38Å; L55-W138 HydrophobicContact CD2-CZ2 4.22Å
56S68Low84Confident68 Ų6862.7 Ų62.748%0.47632%0.318SS..Hα-helixtrans-93.8-1917753.30000113.2E53E53-S56 PolarHBondContact O-N 2.91Å; E53-S56 PolarHBondContact O-OG 2.97Å; E53-S56 VanDerWaalsContact O-OG 3.05Å
57S64Low84.4Confident44 Ų4463 Ų6331%0.30832%0.32SS..SBendtrans-69.4171.2174.3740000113.8E53 L54 A59E53-S57 VanDerWaalsContact O-CB 3.3Å; E53-S57 WeakPolarHBondContact O-CB 3.34Å; E53-S57 PolarHBondContact O-N 3.45Å; L54-S57 PolarHBondContact O-OG 2.93Å; S57-A59 PolarHBondContact O-N 2.96Å; S57-A59 VanDerWaalsContact OG-CB 3.25Å; S57-A59 WeakPolarHBondContact OG-CB 3.29Å; S57-A59 PolarHBondContact OG-N 3.38Å
58D71.6Confident84.8Confident151 Ų15162.1 Ų62.181%0.80732%0.322SS*.SBendtrans-72.718.8170.5-70.5-37.2000113.4E60D58-E60 PolarHBondContact O-N 2.86Å
59A81.8Confident84.9Confident21 Ų2169.1 Ų69.117%0.17436%0.361CS..  trans-60.5128177.300000111.2S57 L62 N100 W138S57-A59 PolarHBondContact O-N 2.96Å; S57-A59 VanDerWaalsContact OG-CB 3.25Å; S57-A59 WeakPolarHBondContact OG-CB 3.29Å; S57-A59 PolarHBondContact OG-N 3.38Å; A59-L62 HydrophobicContact CB-CD2 4.41Å; A59-N100 WeakPolarHBondContact O-CB 3.25Å; A59-N100 PolarHBondContact O-ND2 2.92Å; A59-W138 HydrophobicContact CB-CH2 4.22Å; A59-W138 VanDerWaalsContact O-CH2 3.26Å; A59-W138 WeakPolarHBondContact O-CH2 3.43Å
60E89.6Confident84.9Confident69 Ų6974.3 Ų74.332%0.32238%0.383SS..  trans-90.4-21.1179.1-55.6-163.413900112.6D58 N100 V102 R265D58-E60 PolarHBondContact O-N 2.86Å; E60-N100 PolarHBondContact O-N 2.86Å; E60-V102 HydrophobicContact CG-CG2 4.44Å; E60-R265 VanDerWaalsContact CD-NH1 3.33Å; E60-R265 IonicContact OE1-CZ 2.73Å; E60-R265 IonicContact OE1-NH1 2.66Å; E60-R265 PolarHBondContact OE1-NH1 3.3Å; E60-R265 IonicContact OE1-NH2 2.68Å; E60-R265 PolarHBondContact OE1-NH2 2.6Å; E60-R265 IonicContact OE2-CZ 3.71Å; E60-R265 IonicContact OE2-NE 3.2Å; E60-R265 PolarHBondContact OE2-NE 3.3Å; E60-R265 IonicContact OE2-NH1 3.58Å; E60-R265 PolarHBondContact OE2-NH1 3.34Å; E60-R265 IonicContact OE2-NH2 3.88Å; E60-R265 PolarHBondContact OE2-NH2 3.29Å
61V93Very high85.1Confident33 Ų3371.2 Ų71.220%0.236%0.362CS..EExtended strand (participates in β ladder)trans-154140.8-175.864.30000111.9F63 M97 L98 C266V61-F63 HydrophobicContact CG1-CE2 3.79Å; V61-F63 HydrophobicContact CG1-CZ 4.06Å; V61-F63 HydrophobicContact CG2-CE1 4.24Å; V61-F63 HydrophobicContact CG2-CE2 4.24Å; V61-F63 HydrophobicContact CG2-CZ 4.02Å; V61-M97 HydrophobicContact CG2-CB 3.92Å; V61-M97 HydrophobicContact CG2-CG 4.47Å; V61-M97 HydrophobicContact CG2-SD 4.46Å; V61-L98 CarbonylContact C-O 3.56Å; V61-L98 VanDerWaalsContact CA-O 3.29Å; V61-L98 WeakPolarHBondContact CA-O 3.44Å; V61-C266 HydrophobicContact CB-CB 3.99Å; V61-C266 HydrophobicContact CG1-CB 4.06Å; V61-C266 HydrophobicContact CG2-CB 4.21Å
62L93.2Very high85.6Confident5 Ų574.7 Ų74.73%0.02637%0.374CS..EExtended strand (participates in β ladder)trans-116.5133.2167.4-52.5179.6000109.6V49 L54 L55 A59 F67 M97 L98 W138V49-L62 HydrophobicContact CG1-CD1 4.23Å; V49-L62 HydrophobicContact CG2-CD1 4.06Å; L54-L62 HydrophobicContact CB-CD2 3.79Å; L54-L62 HydrophobicContact CD1-CD2 4.14Å; L54-L62 HydrophobicContact CG-CD2 4.47Å; L55-L62 HydrophobicContact CD2-CD1 3.86Å; A59-L62 HydrophobicContact CB-CD2 4.41Å; L62-F67 HydrophobicContact CB-CE2 3.88Å; L62-F67 HydrophobicContact CB-CZ 4.09Å; L62-F67 HydrophobicContact CD1-CZ 4.3Å; L62-M97 CarbonylContact O-C 3.53Å; L62-M97 VanDerWaalsContact O-CA 3.29Å; L62-M97 WeakPolarHBondContact O-CA 3.3Å; L62-L98 HydrophobicContact CB-CB 4.12Å; L62-L98 HydrophobicContact CD1-CD2 4.2Å; L62-L98 PolarHBondContact N-O 3.42Å; L62-L98 PolarHBondContact O-N 2.96Å; L62-W138 HydrophobicContact CD1-CH2 4.27Å; L62-W138 HydrophobicContact CD1-CZ3 4.3Å; L62-W138 HydrophobicContact CD2-CH2 4.38Å; L62-W138 HydrophobicContact CG-CH2 3.91Å; L62-W138 HydrophobicContact CG-CZ3 3.85Å
63F93.3Very high86.3Confident59 Ų5969.9 Ų69.926%0.25936%0.357SS..  trans-97.5166.9177.7-69.3-72.9000110.8V61 R65 S66 F67 M97V61-F63 HydrophobicContact CG1-CE2 3.79Å; V61-F63 HydrophobicContact CG1-CZ 4.06Å; V61-F63 HydrophobicContact CG2-CE1 4.24Å; V61-F63 HydrophobicContact CG2-CE2 4.24Å; V61-F63 HydrophobicContact CG2-CZ 4.02Å; F63-R65 HydrophobicContact CB-CG 4.24Å; F63-R65 PolarHBondContact O-N 2.87Å; F63-S66 VanDerWaalsContact O-CB 3.31Å; F63-S66 WeakPolarHBondContact O-CB 3.43Å; F63-S66 PolarHBondContact O-N 3.05Å; F63-S66 PolarHBondContact O-OG 3.12Å; F63-F67 WeakPolarHBondContact O-CD2 3.47Å; F63-F67 WeakPolarHBondContact O-CE2 3.41Å; F63-M97 HydrophobicContact CD1-CB 4.4Å
64P93.3Very high87Confident62 Ų6267.5 Ų67.540%0.40334%0.341SS..G310 helixtrans-57.1-29.8-172.4-29.740.2000114.3S66 F67 L95 L96P64-S66 PolarHBondContact O-N 2.91Å; P64-S66 VanDerWaalsContact O-N 3.16Å; P64-F67 PolarHBondContact O-N 2.86Å; P64-F67 VanDerWaalsContact O-N 3.1Å; P64-L95 WeakPolarHBondContact CG-O 3.21Å; P64-L96 WeakPolarHBondContact CD-O 3.44Å
65R91.9Very high87.6Confident199 Ų19965.2 Ų65.275%0.75133%0.329SS*.G310 helixtrans-60-19173.864.3-179.2178.5-105.2-0.4115F63 F67F63-R65 HydrophobicContact CB-CG 4.24Å; F63-R65 PolarHBondContact O-N 2.87Å; R65-F67 VanDerWaalsContact C-N 3.26Å
66S92.5Very high88.4Confident21 Ų2164.3 Ų64.315%0.14733%0.325CS..G310 helixtrans-851.9178-57.80000112.7V49 T50 F63 P64V49-S66 WeakPolarHBondContact CA-O 3.28Å; T50-S66 PolarHBondContact N-O 2.99Å; T50-S66 PolarHBondContact OG1-O 2.87Å; T50-S66 VanDerWaalsContact OG1-O 3.13Å; F63-S66 VanDerWaalsContact O-CB 3.31Å; F63-S66 WeakPolarHBondContact O-CB 3.43Å; F63-S66 PolarHBondContact O-N 3.05Å; F63-S66 PolarHBondContact O-OG 3.12Å; P64-S66 PolarHBondContact O-N 2.91Å; P64-S66 VanDerWaalsContact O-N 3.16Å
67F92.7Very high89.3Confident8 Ų861.7 Ų61.74%0.03531%0.305CS..BIsolated β-bridgetrans-116.6153.4-177.1-62.2-96.3000110.9F45 F48 V49 L62 F63 P64 R65 D69 L71 L95 L98F45-F67 HydrophobicContact CB-CE1 3.91Å; F48-F67 HydrophobicContact CB-CD1 4.35Å; F48-F67 CarbonylContact O-C 3.55Å; F48-F67 VanDerWaalsContact O-CA 3.3Å; F48-F67 WeakPolarHBondContact O-CA 3.37Å; V49-F67 HydrophobicContact CG2-CD1 3.95Å; V49-F67 HydrophobicContact CG2-CE1 3.47Å; V49-F67 VanDerWaalsContact CG2-CE1 3.47Å; V49-F67 HydrophobicContact CG2-CZ 4.02Å; L62-F67 HydrophobicContact CB-CE2 3.88Å; L62-F67 HydrophobicContact CB-CZ 4.09Å; L62-F67 HydrophobicContact CD1-CZ 4.3Å; F63-F67 WeakPolarHBondContact O-CD2 3.47Å; F63-F67 WeakPolarHBondContact O-CE2 3.41Å; P64-F67 PolarHBondContact O-N 2.86Å; P64-F67 VanDerWaalsContact O-N 3.1Å; R65-F67 VanDerWaalsContact C-N 3.26Å; F67-D69 PolarHBondContact O-N 3.11Å; F67-L71 HydrophobicContact CB-CD2 3.88Å; F67-L71 HydrophobicContact CD1-CD2 4.13Å; F67-L71 HydrophobicContact CG-CD2 4.16Å; F67-L95 HydrophobicContact CD1-CD2 4.11Å; F67-L95 HydrophobicContact CD2-CD2 3.63Å; F67-L95 HydrophobicContact CE1-CD2 4.04Å; F67-L95 HydrophobicContact CE2-CD2 3.57Å; F67-L95 HydrophobicContact CG-CD2 3.92Å; F67-L95 HydrophobicContact CZ-CD2 3.79Å; F67-L98 HydrophobicContact CE1-CD2 4.48Å; F67-L98 HydrophobicContact CE2-CB 4.48Å; F67-L98 HydrophobicContact CZ-CB 3.87Å; F67-L98 HydrophobicContact CZ-CD2 4.04Å; F67-L98 HydrophobicContact CZ-CG 4.47Å
68S91.1Very high89.9Confident38 Ų3862.2 Ų62.227%0.26631%0.309SS..  trans-60135.8176.8-179.50000111.4F48 K70 L71F48-S68 PolarHBondContact O-N 2.67Å; S68-K70 PolarHBondContact O-N 2.99Å; S68-K70 PolarHBondContact OG-N 2.83Å; S68-L71 WeakPolarHBondContact O-CB 3.44Å; S68-L71 PolarHBondContact O-N 3Å
69D89.6Confident89.6Confident170 Ų17055.8 Ų55.891%0.90928%0.279SS*.THydrogen-bonded Turntrans-59.8-13.5173.1-57.7-36.6000113.7F67 L71F67-D69 PolarHBondContact O-N 3.11Å; D69-L71 VanDerWaalsContact C-N 3.29Å
70K90.2Very high88.3Confident122 Ų12258.7 Ų58.753%0.5330%0.298SS..THydrogen-bonded Turntrans-79.8-11.9175.1-61.1-177.5-177.6175.20112.7G17 S68 K72G17-K70 WeakPolarHBondContact CA-O 3.37Å; S68-K70 PolarHBondContact O-N 2.99Å; S68-K70 PolarHBondContact OG-N 2.83Å; K70-K72 PolarHBondContact O-N 2.92Å
71L92.8Very high86.5Confident33 Ų3366.4 Ų66.417%0.17332%0.324CS..  trans-61118.9-179.717660.5000110.7V15 F45 F48 F67 S68 D69 I73 L95V15-L71 HydrophobicContact CG1-CD1 3.31Å; F45-L71 HydrophobicContact CD1-CD2 4.42Å; F48-L71 HydrophobicContact CB-CB 4.44Å; F48-L71 HydrophobicContact CB-CD1 4.11Å; F48-L71 HydrophobicContact CB-CD2 4.48Å; F48-L71 HydrophobicContact CD1-CB 4.42Å; F48-L71 HydrophobicContact CD1-CD1 4.11Å; F48-L71 HydrophobicContact CD2-CD1 3.83Å; F48-L71 HydrophobicContact CE2-CD1 4.28Å; F48-L71 HydrophobicContact CG-CD1 3.75Å; F67-L71 HydrophobicContact CB-CD2 3.88Å; F67-L71 HydrophobicContact CD1-CD2 4.13Å; F67-L71 HydrophobicContact CG-CD2 4.16Å; S68-L71 WeakPolarHBondContact O-CB 3.44Å; S68-L71 PolarHBondContact O-N 3Å; D69-L71 VanDerWaalsContact C-N 3.29Å; L71-I73 HydrophobicContact CD1-CG1 4.2Å; L71-I73 HydrophobicContact CD2-CD1 4.25Å; L71-I73 HydrophobicContact CG-CD1 4.3Å; L71-I73 HydrophobicContact CG-CG1 4.14Å; L71-L95 HydrophobicContact CD2-CD2 4.19Å
72K93.6Very high84.1Confident140 Ų14074.9 Ų74.961%0.60935%0.352SS*.EExtended strand (participates in β ladder)trans-117.9128.5174.3-65.4-177.9-175.7-178.60109.7S16 K70S16-K72 PolarHBondContact N-O 3.07Å; S16-K72 PolarHBondContact O-N 2.94Å; K70-K72 PolarHBondContact O-N 2.92Å
73I95.1Very high81.6Confident12 Ų1280.8 Ų80.86%0.06239%0.394CS..EExtended strand (participates in β ladder)trans-118.8128-177.9-54.7161.9000108.6I13 K14 F45 L71 G93 L95 L142I13-I73 HydrophobicContact CG2-CG2 4.16Å; K14-I73 WeakPolarHBondContact O-CA 3.33Å; F45-I73 HydrophobicContact CD1-CD1 4.41Å; F45-I73 HydrophobicContact CE1-CD1 3.73Å; F45-I73 HydrophobicContact CE1-CG1 3.94Å; L71-I73 HydrophobicContact CD1-CG1 4.2Å; L71-I73 HydrophobicContact CD2-CD1 4.25Å; L71-I73 HydrophobicContact CG-CD1 4.3Å; L71-I73 HydrophobicContact CG-CG1 4.14Å; I73-G93 PolarHBondContact O-N 3.2Å; I73-L95 HydrophobicContact CD1-CB 3.63Å; I73-L142 HydrophobicContact CD1-CD2 4.38Å; I73-L142 HydrophobicContact CG2-CD1 4.25Å
74R93.5Very high79.2Confident94 Ų9486.4 Ų86.436%0.35542%0.418SS..EExtended strand (participates in β ladder)trans-123.3139174-57.8-72.3-75.5179.60.6109K14 E90 V91K14-R74 HydrophobicContact CB-CB 4.27Å; K14-R74 PolarHBondContact N-O 3.14Å; K14-R74 PolarHBondContact O-N 2.8Å; R74-E90 HydrophobicContact CB-CG 4.03Å; R74-E90 WeakPolarHBondContact CB-OE1 3.43Å; R74-E90 IonicContact CZ-OE2 3.21Å; R74-E90 VanDerWaalsContact NE-CD 3.3Å; R74-E90 IonicContact NE-OE1 2.69Å; R74-E90 IonicContact NE-OE2 3.21Å; R74-E90 PolarHBondContact NE-OE2 3.04Å; R74-E90 IonicContact NH2-OE2 3.67Å; R74-E90 PolarHBondContact NH2-OE2 3.01Å; R74-V91 WeakPolarHBondContact CA-O 3.3Å
75V93.7Very high76.9Confident0 Ų089.2 Ų89.20%044%0.437CS..EExtended strand (participates in β ladder)trans-116.1117.2178.1-175.80000108.2C11 V12 I13 L77 E90 V91 A144C11-V75 HydrophobicContact CB-CG1 3.92Å; V12-V75 CarbonylContact O-C 3.59Å; V12-V75 WeakPolarHBondContact O-CA 3.46Å; I13-V75 HydrophobicContact CD1-CB 4.31Å; I13-V75 HydrophobicContact CD1-CG1 3.95Å; I13-V75 HydrophobicContact CD1-CG2 3.8Å; V75-L77 HydrophobicContact CG1-CD2 4.03Å; V75-L77 HydrophobicContact CG1-CG 4.42Å; V75-E90 WeakPolarHBondContact O-CA 3.44Å; V75-V91 HydrophobicContact CB-CG2 3.95Å; V75-V91 PolarHBondContact N-O 3.4Å; V75-V91 PolarHBondContact O-N 2.99Å; V75-A144 HydrophobicContact CB-CB 4.11Å; V75-A144 HydrophobicContact CG1-CB 4.16Å; V75-A144 HydrophobicContact CG2-CB 3.96Å
76C91.5Very high75.2Confident2 Ų282 Ų821%0.01442%0.416CS..EExtended strand (participates in β ladder)trans-97124.6176.2-550000109.5C11 V12 L183C11-C76 WeakPolarHBondContact CA-O 3.49Å; C11-C76 WeakPolarHBondContact CB-O 3.36Å; V12-C76 HydrophobicContact CB-CB 4.18Å; V12-C76 PolarHBondContact N-O 3.42Å; V12-C76 PolarHBondContact O-N 3.46Å; C76-L183 HydrophobicContact CB-CD1 4.01Å; C76-L183 HydrophobicContact CB-CD2 4.35Å
77L87.4Confident73.6Confident12 Ų1292.1 Ų92.16%0.06345%0.452CS..EExtended strand (participates in β ladder)trans-111.9146.6-178.3-57.9169.4000110.1C11 I30 V75 G79 R89 V91 V147C11-L77 HydrophobicContact CB-CD2 3.72Å; I30-L77 HydrophobicContact CD1-CD2 3.78Å; V75-L77 HydrophobicContact CG1-CD2 4.03Å; V75-L77 HydrophobicContact CG1-CG 4.42Å; L77-G79 PolarHBondContact O-N 3.12Å; L77-R89 PolarHBondContact N-O 3.46Å; L77-R89 PolarHBondContact O-N 3.37Å; L77-V91 HydrophobicContact CD1-CG2 4.49Å; L77-V147 HydrophobicContact CD1-CG1 4.34Å; L77-V147 HydrophobicContact CD1-CG2 4.07Å
78S77.6Confident72.5Confident56 Ų5694.3 Ų94.339%0.39246%0.462SS..PPolyproline II helixtrans-64.9132.2172.6-173.10000110.4
79G64.9Low72Confident16 Ų1698.2 Ų98.217%0.16547%0.471CS..PPolyproline II helixtrans-83.9147.2178.700000112.1L77 R81L77-G79 PolarHBondContact O-N 3.12Å; G79-R81 PolarHBondContact O-N 2.81Å
80S54.1Low72Confident82 Ų8294 Ų9457%0.57345%0.446SS*.PPolyproline II helixtrans-64.5126.2177.8-174.60000111.7R82S80-R82 VanDerWaalsContact C-N 3.3Å; S80-R82 PolarHBondContact O-N 2.92Å
81R50.7Low72Confident230 Ų23089 Ų8987%0.86843%0.425SS*.  trans-68.981.5170.7-80.8-179.6166.8177.7-2.2110.6G79G79-R81 PolarHBondContact O-N 2.81Å
82R42.6Very low72Confident211 Ų21191.2 Ų91.280%0.79644%0.443SS*.SBendtrans-124.8100.4160.8-75-172.3174.6-176.8-1.2109.4S80 K84S80-R82 VanDerWaalsContact C-N 3.3Å; S80-R82 PolarHBondContact O-N 2.92Å; R82-K84 VanDerWaalsContact C-N 3.31Å; R82-K84 PolarHBondContact O-N 2.94Å
83S40.7Very low72Confident130 Ų13085 Ų8591%0.90942%0.42SS*.SBendtrans57.26.4160.166.50000120.9
84K43.7Very low72Confident176 Ų17689.4 Ų89.477%0.76544%0.44SS*.SBendtrans-137.7159.2168.8-77.2-174.3-179.9177.90109.6R82 S86R82-K84 VanDerWaalsContact C-N 3.31Å; R82-K84 PolarHBondContact O-N 2.94Å; K84-S86 PolarHBondContact O-N 3.34Å; K84-S86 VanDerWaalsContact O-N 3.13Å
85P46Very low72.2Confident122 Ų12285.5 Ų85.579%0.79243%0.426SS*.  trans-52126.2174.720.7-31.3000108.5R87P85-R87 PolarHBondContact O-N 3.09Å
86S54.4Low72.2Confident46 Ų4686.7 Ų86.732%0.32243%0.432SS..  trans-56.2100.7-17245.40000109.9K84 Q88K84-S86 PolarHBondContact O-N 3.34Å; K84-S86 VanDerWaalsContact O-N 3.13Å; S86-Q88 PolarHBondContact O-N 3.4Å; S86-Q88 VanDerWaalsContact O-N 3.08Å
87R59.5Low72.4Confident235 Ų23587 Ų8789%0.88743%0.434SS*.  trans-69109.7170.6-81.8-174174.1-174.1-2.2107.5P85P85-R87 PolarHBondContact O-N 3.09Å
88Q69.8Low72.8Confident54 Ų5486.5 Ų86.525%0.25243%0.431SS..  trans-56.8144.4171.7-62.3173.612.600110.2S86 L183 D184S86-Q88 PolarHBondContact O-N 3.4Å; S86-Q88 VanDerWaalsContact O-N 3.08Å; Q88-L183 VanDerWaalsContact OE1-CD1 3.26Å; Q88-D184 PolarHBondContact NE2-OD1 2.99Å
89R81.1Confident73.6Confident119 Ų11983.8 Ų83.845%0.44941%0.412SS..EExtended strand (participates in β ladder)trans-103115.3175.7-171.1179175-155.9-6.9108.4L77 V91 V146L77-R89 PolarHBondContact N-O 3.46Å; L77-R89 PolarHBondContact O-N 3.37Å; R89-V91 HydrophobicContact CG-CG1 4.06Å; R89-V146 PolarHBondContact NH1-O 2.82Å; R89-V146 PolarHBondContact NH2-O 2.99Å
90E88.3Confident74.9Confident82 Ų8283.1 Ų83.138%0.38341%0.405SS..EExtended strand (participates in β ladder)trans-101.9124.6172.3-167.3-175.3-139.700109.6K14 R74 V75K14-E90 IonicContact NZ-OE1 2.78Å; R74-E90 HydrophobicContact CB-CG 4.03Å; R74-E90 WeakPolarHBondContact CB-OE1 3.43Å; R74-E90 IonicContact CZ-OE2 3.21Å; R74-E90 VanDerWaalsContact NE-CD 3.3Å; R74-E90 IonicContact NE-OE1 2.69Å; R74-E90 IonicContact NE-OE2 3.21Å; R74-E90 PolarHBondContact NE-OE2 3.04Å; R74-E90 IonicContact NH2-OE2 3.67Å; R74-E90 PolarHBondContact NH2-OE2 3.01Å; V75-E90 WeakPolarHBondContact O-CA 3.44Å
91V91.3Very high76.8Confident16 Ų1679.2 Ų79.210%0.09738%0.378CS..EExtended strand (participates in β ladder)trans-121.8159179.2-60.30000110.7R74 V75 L77 R89 A144R74-V91 WeakPolarHBondContact CA-O 3.3Å; V75-V91 HydrophobicContact CB-CG2 3.95Å; V75-V91 PolarHBondContact N-O 3.4Å; V75-V91 PolarHBondContact O-N 2.99Å; L77-V91 HydrophobicContact CD1-CG2 4.49Å; R89-V91 HydrophobicContact CG-CG1 4.06Å; V91-A144 HydrophobicContact CG2-CB 3.95Å
92S92.6Very high78.7Confident80 Ų8070 Ų7056%0.55935%0.346SS*.EExtended strand (participates in β ladder)trans-69.4138.1170-158.10000109.8G145S92-G145 PolarHBondContact O-N 3.07Å
93G94.4Very high81Confident11 Ų1162.5 Ų62.511%0.11332%0.32CS..EExtended strand (participates in β ladder)trans-103.4146.6168.700000111I73 R143I73-G93 PolarHBondContact O-N 3.2Å; G93-R143 CarbonylContact C-O 3.49Å; G93-R143 WeakPolarHBondContact CA-O 3.37Å
94E95.2Very high83.6Confident104 Ų10456.3 Ų56.349%0.48628%0.276SS..EExtended strand (participates in β ladder)trans-111.6127.2169.5179.3-173.9-172.800107.9L96 L142 R143E94-L96 HydrophobicContact CG-CD2 4.23Å; E94-L142 CarbonylContact O-C 3.45Å; E94-L142 VanDerWaalsContact O-CA 3.23Å; E94-L142 WeakPolarHBondContact O-CA 3.33Å; E94-R143 HydrophobicContact CB-CB 4.32Å; E94-R143 PolarHBondContact N-O 2.91Å; E94-R143 PolarHBondContact O-N 2.82Å; E94-R143 IonicContact OE2-NH1 2.96Å
95L96Very high85.8Confident11 Ų1149.3 Ų49.36%0.05825%0.246CC..EExtended strand (participates in β ladder)trans-74.5124169.5179.463.6000108F45 P64 F67 L71 I73 M97 A140 L142F45-L95 HydrophobicContact CD1-CD1 4.27Å; F45-L95 HydrophobicContact CD1-CD2 4.23Å; F45-L95 HydrophobicContact CE1-CD1 4.32Å; P64-L95 WeakPolarHBondContact CG-O 3.21Å; F67-L95 HydrophobicContact CD1-CD2 4.11Å; F67-L95 HydrophobicContact CD2-CD2 3.63Å; F67-L95 HydrophobicContact CE1-CD2 4.04Å; F67-L95 HydrophobicContact CE2-CD2 3.57Å; F67-L95 HydrophobicContact CG-CD2 3.92Å; F67-L95 HydrophobicContact CZ-CD2 3.79Å; L71-L95 HydrophobicContact CD2-CD2 4.19Å; I73-L95 HydrophobicContact CD1-CB 3.63Å; L95-M97 WeakPolarHBondContact CD1-O 3.29Å; L95-A140 HydrophobicContact CD1-CB 4Å; L95-L142 HydrophobicContact CB-CD2 4.16Å; L95-L142 HydrophobicContact CD1-CD2 3.56Å; L95-L142 HydrophobicContact CG-CD2 4.49Å
96L95.3Very high87.9Confident26 Ų2649 Ų4914%0.13623%0.234CC..EExtended strand (participates in β ladder)trans-91.8-42.2174.8-58.1-178.1000110.8P64 E94 V141 R143 P272P64-L96 WeakPolarHBondContact CD-O 3.44Å; E94-L96 HydrophobicContact CG-CD2 4.23Å; L96-V141 WeakPolarHBondContact CB-O 3.38Å; L96-V141 HydrophobicContact CD1-CG1 4.28Å; L96-V141 PolarHBondContact N-O 3.09Å; L96-R143 HydrophobicContact CD1-CB 4.17Å; L96-R143 HydrophobicContact CD2-CB 4.07Å; L96-R143 HydrophobicContact CG-CB 4.19Å; L96-P272 HydrophobicContact CD1-CB 3.72Å; L96-P272 HydrophobicContact CD1-CG 4.49Å
97M95.1Very high89.7Confident9 Ų947.6 Ų47.64%0.04422%0.224CC..EExtended strand (participates in β ladder)trans-166.1161.5174.665.5-160.964.200111.2V61 L62 F63 L95 V141 V263 T267 P272V61-M97 HydrophobicContact CG2-CB 3.92Å; V61-M97 HydrophobicContact CG2-CG 4.47Å; V61-M97 HydrophobicContact CG2-SD 4.46Å; L62-M97 CarbonylContact O-C 3.53Å; L62-M97 VanDerWaalsContact O-CA 3.29Å; L62-M97 WeakPolarHBondContact O-CA 3.3Å; F63-M97 HydrophobicContact CD1-CB 4.4Å; L95-M97 WeakPolarHBondContact CD1-O 3.29Å; M97-V141 HydrophobicContact CG-CB 3.97Å; M97-V141 HydrophobicContact CG-CG2 3.9Å; M97-V141 PolarHBondContact N-O 2.93Å; M97-V141 PolarHBondContact O-N 2.85Å; M97-V141 HydrophobicContact SD-CG2 4.36Å; M97-V263 HydrophobicContact SD-CG1 4.05Å; M97-T267 HydrophobicContact CE-CG2 3.22Å; M97-T267 HydrophobicContact SD-CG2 3.53Å; M97-T267 VanDerWaalsContact SD-CG2 3.53Å; M97-P272 HydrophobicContact CE-CG 3.88Å
98L94.7Very high91.1Very high0 Ų037 Ų370%018%0.184CC..EExtended strand (participates in β ladder)trans-107.5119.8160.2-158.370.8000107.4F45 L55 V61 L62 F67 W138 F139 A140F45-L98 HydrophobicContact CB-CD1 4.24Å; F45-L98 HydrophobicContact CD2-CD1 4.49Å; L55-L98 HydrophobicContact CD2-CD2 4.37Å; V61-L98 CarbonylContact C-O 3.56Å; V61-L98 VanDerWaalsContact CA-O 3.29Å; V61-L98 WeakPolarHBondContact CA-O 3.44Å; L62-L98 HydrophobicContact CB-CB 4.12Å; L62-L98 HydrophobicContact CD1-CD2 4.2Å; L62-L98 PolarHBondContact N-O 3.42Å; L62-L98 PolarHBondContact O-N 2.96Å; F67-L98 HydrophobicContact CE1-CD2 4.48Å; F67-L98 HydrophobicContact CE2-CB 4.48Å; F67-L98 HydrophobicContact CZ-CB 3.87Å; F67-L98 HydrophobicContact CZ-CD2 4.04Å; F67-L98 HydrophobicContact CZ-CG 4.47Å; L98-W138 HydrophobicContact CB-CE3 4.2Å; L98-W138 HydrophobicContact CD2-CB 4.08Å; L98-W138 HydrophobicContact CD2-CD2 4.03Å; L98-W138 HydrophobicContact CD2-CE3 3.74Å; L98-W138 HydrophobicContact CD2-CG 4.2Å; L98-W138 HydrophobicContact CD2-CZ3 4.45Å; L98-W138 HydrophobicContact CG-CB 4.14Å; L98-W138 HydrophobicContact CG-CD2 4.34Å; L98-W138 HydrophobicContact CG-CE3 3.72Å; L98-W138 HydrophobicContact CG-CZ3 4.49Å; L98-F139 CarbonylContact C-O 3.48Å; L98-F139 WeakPolarHBondContact CA-O 3.44Å; L98-A140 HydrophobicContact CD1-CB 3.72Å
99V94.8Very high91.9Very high0 Ų038.7 Ų38.70%019%0.194CC..EExtended strand (participates in β ladder)trans-106.2135.7-179.565.90000110.2W138 F139 I259 V263V99-W138 CarbonylContact O-C 3.5Å; V99-W138 WeakPolarHBondContact O-CA 3.26Å; V99-F139 HydrophobicContact CG1-CB 4.02Å; V99-F139 PolarHBondContact N-O 2.81Å; V99-F139 PolarHBondContact O-N 3.19Å; V99-I259 HydrophobicContact CG1-CG2 4.41Å; V99-V263 HydrophobicContact CB-CG2 4.27Å; V99-V263 HydrophobicContact CG1-CG2 3.8Å; V99-V263 HydrophobicContact CG2-CG2 4.36Å
100N93.3Very high92.1Very high2 Ų235 Ų351%0.01119%0.194CC..EExtended strand (participates in β ladder)trans-92.6116.2174.4-171.8-12000109.7A59 E60 V102 S137 W138A59-N100 WeakPolarHBondContact O-CB 3.25Å; A59-N100 PolarHBondContact O-ND2 2.92Å; E60-N100 PolarHBondContact O-N 2.86Å; N100-V102 VanDerWaalsContact C-N 3.33Å; N100-V102 PolarHBondContact O-N 3.09Å; N100-S137 PolarHBondContact OD1-OG 3.38Å; N100-W138 HydrophobicContact CB-CD2 3.88Å; N100-W138 HydrophobicContact CB-CE3 3.68Å; N100-W138 HydrophobicContact CB-CH2 3.68Å; N100-W138 HydrophobicContact CB-CZ2 3.83Å; N100-W138 HydrophobicContact CB-CZ3 3.6Å
101C93.1Very high91.9Very high0 Ų031.8 Ų31.80%018%0.179CC..  trans-82.279.9175.8-167.20000109.9K103 F104 K105 S137 F139 V258C101-K103 PolarHBondContact O-N 2.83Å; C101-F104 HydrophobicContact CB-CB 3.98Å; C101-F104 WeakPolarHBondContact O-CB 3.3Å; C101-F104 PolarHBondContact O-N 2.59Å; C101-F104 VanDerWaalsContact O-N 3.12Å; C101-F104 WeakPolarHBondContact SG-CB 3.14Å; C101-K105 PolarHBondContact O-N 3.04Å; C101-S137 WeakPolarHBondContact CB-O 3.31Å; C101-S137 PolarHBondContact N-O 3.26Å; C101-F139 HydrophobicContact CB-CD2 3.93Å; C101-F139 HydrophobicContact CB-CE2 3.67Å; C101-V258 WeakPolarHBondContact SG-CG1 3.36Å
102V90.9Very high91.5Very high35 Ų3531.6 Ų31.621%0.21218%0.177CC..Hα-helixtrans-56.9-38.4-175.4179.60000112E60 N100 K105 Q106E60-V102 HydrophobicContact CG-CG2 4.44Å; N100-V102 VanDerWaalsContact C-N 3.33Å; N100-V102 PolarHBondContact O-N 3.09Å; V102-K105 WeakPolarHBondContact O-CB 3.18Å; V102-K105 PolarHBondContact O-N 3.16Å; V102-Q106 HydrophobicContact CG1-CG 4.3Å; V102-Q106 WeakPolarHBondContact O-CG 3.47Å; V102-Q106 PolarHBondContact O-N 3.19Å
103K92Very high90.7Very high54 Ų5432.7 Ų32.724%0.23517%0.174CC..Hα-helixtrans-67.1-39.2179.8-167.464.8168.6-174.20112.6C101 T107 E201 A204 V258C101-K103 PolarHBondContact O-N 2.83Å; K103-T107 WeakPolarHBondContact O-CB 3.31Å; K103-T107 PolarHBondContact O-N 2.89Å; K103-T107 VanDerWaalsContact O-N 3.08Å; K103-T107 PolarHBondContact O-OG1 2.88Å; K103-E201 VanDerWaalsContact CE-OE2 3.29Å; K103-E201 WeakPolarHBondContact CE-OE2 3.28Å; K103-E201 IonicContact NZ-OE1 2.86Å; K103-E201 PolarHBondContact NZ-OE1 2.89Å; K103-E201 VanDerWaalsContact NZ-OE1 3.09Å; K103-E201 IonicContact NZ-OE2 3.55Å; K103-E201 PolarHBondContact NZ-OE2 3.23Å; K103-A204 HydrophobicContact CG-CB 4.23Å; K103-V258 HydrophobicContact CB-CG1 3.67Å; K103-V258 HydrophobicContact CG-CG1 4.22Å
104F93.6Very high89.5Confident0 Ų040.4 Ų40.40%021%0.207CC..Hα-helixtrans-63.9-46.2170.7173.4-93000110.7C101 Q106 T107 F108 L136 A204 V205 V237 L252 C254C101-F104 HydrophobicContact CB-CB 3.98Å; C101-F104 WeakPolarHBondContact O-CB 3.3Å; C101-F104 PolarHBondContact O-N 2.59Å; C101-F104 VanDerWaalsContact O-N 3.12Å; C101-F104 WeakPolarHBondContact SG-CB 3.14Å; F104-Q106 PolarHBondContact O-N 2.86Å; F104-T107 PolarHBondContact O-N 3.17Å; F104-F108 HydrophobicContact CE1-CB 4.36Å; F104-F108 HydrophobicContact CE1-CD2 4.48Å; F104-F108 HydrophobicContact CZ-CD2 4.23Å; F104-F108 VanDerWaalsContact O-CB 3.23Å; F104-F108 WeakPolarHBondContact O-CB 3.36Å; F104-F108 PolarHBondContact O-N 3.2Å; F104-L136 HydrophobicContact CE1-CB 4.46Å; F104-A204 WeakPolarHBondContact CD2-O 3.34Å; F104-V205 HydrophobicContact CD2-CG2 3.66Å; F104-V205 HydrophobicContact CE2-CG2 3.69Å; F104-V237 HydrophobicContact CE1-CG1 4.32Å; F104-V237 HydrophobicContact CE1-CG2 4.42Å; F104-V237 HydrophobicContact CE2-CG2 4.28Å; F104-V237 HydrophobicContact CZ-CB 4.28Å; F104-V237 HydrophobicContact CZ-CG1 4.03Å; F104-V237 HydrophobicContact CZ-CG2 3.87Å; F104-L252 HydrophobicContact CE2-CD1 4.42Å; F104-L252 HydrophobicContact CZ-CD1 4.44Å; F104-L252 HydrophobicContact CZ-CD2 4.09Å; F104-L252 HydrophobicContact CZ-CG 4.26Å; F104-C254 HydrophobicContact CD2-CB 3.55Å; F104-C254 VanDerWaalsContact CD2-SG 3.52Å; F104-C254 HydrophobicContact CE2-CB 3.68Å; F104-C254 HydrophobicContact CG-CB 4.09Å; F104-C254 HydrophobicContact CZ-CB 4.32Å
105K91.3Very high88.1Confident29 Ų2940.9 Ų40.913%0.12622%0.217CC..Hα-helixtrans-54.4-51177.9-174.4-179.4172.1-177.10111.8C101 V102 F108 L109C101-K105 PolarHBondContact O-N 3.04Å; V102-K105 WeakPolarHBondContact O-CB 3.18Å; V102-K105 PolarHBondContact O-N 3.16Å; K105-F108 PolarHBondContact O-N 2.99Å; K105-L109 HydrophobicContact CG-CD1 4.17Å; K105-L109 WeakPolarHBondContact O-CB 3.42Å; K105-L109 WeakPolarHBondContact O-CG 3Å; K105-L109 PolarHBondContact O-N 3.27Å
106Q90.4Very high86.9Confident117 Ų11743.2 Ų43.255%0.54723%0.229SC..Hα-helixtrans-62-45.7179.5-72.5172.2-16.500111.9V102 F104 L109 G110V102-Q106 HydrophobicContact CG1-CG 4.3Å; V102-Q106 WeakPolarHBondContact O-CG 3.47Å; V102-Q106 PolarHBondContact O-N 3.19Å; F104-Q106 PolarHBondContact O-N 2.86Å; Q106-L109 PolarHBondContact O-N 3.2Å; Q106-G110 PolarHBondContact O-N 3.41Å
107T91.1Very high85.7Confident16 Ų1647.6 Ų47.610%0.09825%0.249CC..Hα-helixtrans-63.7-46.1178.3-57.90000111.3K103 F104 L109 G110 V111 A199 V205K103-T107 WeakPolarHBondContact O-CB 3.31Å; K103-T107 PolarHBondContact O-N 2.89Å; K103-T107 VanDerWaalsContact O-N 3.08Å; K103-T107 PolarHBondContact O-OG1 2.88Å; F104-T107 PolarHBondContact O-N 3.17Å; T107-L109 PolarHBondContact O-N 3.43Å; T107-G110 PolarHBondContact O-N 3.18Å; T107-V111 HydrophobicContact CG2-CG2 4.24Å; T107-V111 WeakPolarHBondContact O-CB 3.35Å; T107-V111 VanDerWaalsContact O-CG2 3.25Å; T107-V111 WeakPolarHBondContact O-CG2 3.45Å; T107-V111 PolarHBondContact O-N 2.65Å; T107-A199 HydrophobicContact CG2-CB 4.08Å; T107-A199 WeakPolarHBondContact CG2-O 3.29Å; T107-V205 HydrophobicContact CG2-CB 3.95Å; T107-V205 HydrophobicContact CG2-CG2 3.52Å
108F89.4Confident84.7Confident12 Ų1248.7 Ų48.75%0.05325%0.253CS..Hα-helixtrans-58.1-48.2178.4177.4-83.3000110.9F104 K105 G110 V111 F112 F120 A133 L136 L252F104-F108 HydrophobicContact CE1-CB 4.36Å; F104-F108 HydrophobicContact CE1-CD2 4.48Å; F104-F108 HydrophobicContact CZ-CD2 4.23Å; F104-F108 VanDerWaalsContact O-CB 3.23Å; F104-F108 WeakPolarHBondContact O-CB 3.36Å; F104-F108 PolarHBondContact O-N 3.2Å; K105-F108 PolarHBondContact O-N 2.99Å; F108-G110 VanDerWaalsContact C-N 3.32Å; F108-G110 PolarHBondContact O-N 3.44Å; F108-V111 PolarHBondContact O-N 3.34Å; F108-F112 HydrophobicContact CB-CD2 4.45Å; F108-F112 HydrophobicContact CD1-CD2 4.39Å; F108-F112 AromaticContact CD2-CD2 3.36Å; F108-F112 HydrophobicContact CD2-CD2 3.36Å; F108-F112 AromaticContact CD2-CE2 3.7Å; F108-F112 HydrophobicContact CD2-CE2 3.7Å; F108-F112 HydrophobicContact CD2-CG 4.4Å; F108-F112 HydrophobicContact CE1-CB 4.39Å; F108-F112 AromaticContact CE2-CD2 3.51Å; F108-F112 HydrophobicContact CE2-CD2 3.51Å; F108-F112 AromaticContact CE2-CE2 3.96Å; F108-F112 HydrophobicContact CE2-CE2 3.96Å; F108-F112 HydrophobicContact CE2-CG 4.19Å; F108-F112 AromaticContact CG-CD2 3.85Å; F108-F112 HydrophobicContact CG-CD2 3.85Å; F108-F112 HydrophobicContact CG-CE2 4.47Å; F108-F112 HydrophobicContact CZ-CB 4.3Å; F108-F112 HydrophobicContact CZ-CD2 4.13Å; F108-F112 HydrophobicContact CZ-CG 4.46Å; F108-F112 WeakPolarHBondContact O-CB 3.36Å; F108-F112 WeakPolarHBondContact O-CD2 3.47Å; F108-F112 PolarHBondContact O-N 3.15Å; F108-F120 AromaticContact CE2-CD2 3.78Å; F108-F120 HydrophobicContact CE2-CD2 3.78Å; F108-F120 AromaticContact CE2-CE2 3.54Å; F108-F120 HydrophobicContact CE2-CE2 3.54Å; F108-F120 HydrophobicContact CE2-CG 4.41Å; F108-F120 HydrophobicContact CE2-CZ 4.02Å; F108-F120 AromaticContact CZ-CD2 3.52Å; F108-F120 HydrophobicContact CZ-CD2 3.52Å; F108-F120 AromaticContact CZ-CE2 3.46Å; F108-F120 HydrophobicContact CZ-CE2 3.46Å; F108-F120 VanDerWaalsContact CZ-CE2 3.46Å; F108-F120 HydrophobicContact CZ-CG 4.45Å; F108-F120 HydrophobicContact CZ-CZ 4.38Å; F108-A133 HydrophobicContact CD1-CB 3.35Å; F108-A133 HydrophobicContact CE1-CB 3.61Å; F108-A133 HydrophobicContact CG-CB 4.43Å; F108-L136 HydrophobicContact CE2-CD1 4.11Å; F108-L136 HydrophobicContact CZ-CD1 3.9Å; F108-L252 HydrophobicContact CD2-CD1 4.47Å; F108-L252 HydrophobicContact CD2-CD2 3.78Å; F108-L252 HydrophobicContact CE2-CD2 3.5Å; F108-L252 VanDerWaalsContact CE2-CD2 3.5Å
109L86.8Confident83.6Confident89 Ų8954.4 Ų54.447%0.46627%0.274SS..Hα-helixtrans-64.4-34.6177.7-73.6170.5000113K105 Q106 T107 A133K105-L109 HydrophobicContact CG-CD1 4.17Å; K105-L109 WeakPolarHBondContact O-CB 3.42Å; K105-L109 WeakPolarHBondContact O-CG 3Å; K105-L109 PolarHBondContact O-N 3.27Å; Q106-L109 PolarHBondContact O-N 3.2Å; T107-L109 PolarHBondContact O-N 3.43Å; L109-A133 HydrophobicContact CD1-CB 4.12Å; L109-A133 HydrophobicContact CD2-CB 3.36Å; L109-A133 HydrophobicContact CG-CB 3.52Å
110G85.5Confident82.4Confident43 Ų4355.5 Ų55.544%0.44328%0.279SS..Hα-helixtrans-70.6-31.7176.400000113.6Q106 T107 F108Q106-G110 PolarHBondContact O-N 3.41Å; T107-G110 PolarHBondContact O-N 3.18Å; F108-G110 VanDerWaalsContact C-N 3.32Å; F108-G110 PolarHBondContact O-N 3.44Å
111V83.8Confident81Confident14 Ų1458.3 Ų58.39%0.08529%0.292CS..Hα-helixtrans-90.5-40.5-176.5173.60000112.3T107 F108 A199 L399 V402T107-V111 HydrophobicContact CG2-CG2 4.24Å; T107-V111 WeakPolarHBondContact O-CB 3.35Å; T107-V111 VanDerWaalsContact O-CG2 3.25Å; T107-V111 WeakPolarHBondContact O-CG2 3.45Å; T107-V111 PolarHBondContact O-N 2.65Å; F108-V111 PolarHBondContact O-N 3.34Å; V111-A199 HydrophobicContact CG2-CB 3.76Å; V111-L399 HydrophobicContact CG1-CD1 4.3Å; V111-L399 HydrophobicContact CG1-CD2 3.43Å; V111-L399 VanDerWaalsContact CG1-CD2 3.43Å; V111-L399 HydrophobicContact CG1-CG 4.33Å; V111-V402 HydrophobicContact CG2-CG1 4.19Å
112F82.6Confident79Confident11 Ų1160.3 Ų60.35%0.04831%0.313CS..SBendtrans-110.178.5-173.5-56.1-71.8000110.2F108 W118 F120 V205 L207 L252 L399F108-F112 HydrophobicContact CB-CD2 4.45Å; F108-F112 HydrophobicContact CD1-CD2 4.39Å; F108-F112 AromaticContact CD2-CD2 3.36Å; F108-F112 HydrophobicContact CD2-CD2 3.36Å; F108-F112 AromaticContact CD2-CE2 3.7Å; F108-F112 HydrophobicContact CD2-CE2 3.7Å; F108-F112 HydrophobicContact CD2-CG 4.4Å; F108-F112 HydrophobicContact CE1-CB 4.39Å; F108-F112 AromaticContact CE2-CD2 3.51Å; F108-F112 HydrophobicContact CE2-CD2 3.51Å; F108-F112 AromaticContact CE2-CE2 3.96Å; F108-F112 HydrophobicContact CE2-CE2 3.96Å; F108-F112 HydrophobicContact CE2-CG 4.19Å; F108-F112 AromaticContact CG-CD2 3.85Å; F108-F112 HydrophobicContact CG-CD2 3.85Å; F108-F112 HydrophobicContact CG-CE2 4.47Å; F108-F112 HydrophobicContact CZ-CB 4.3Å; F108-F112 HydrophobicContact CZ-CD2 4.13Å; F108-F112 HydrophobicContact CZ-CG 4.46Å; F108-F112 WeakPolarHBondContact O-CB 3.36Å; F108-F112 WeakPolarHBondContact O-CD2 3.47Å; F108-F112 PolarHBondContact O-N 3.15Å; F112-W118 HydrophobicContact CB-CB 4.46Å; F112-W118 HydrophobicContact CB-CG 4.15Å; F112-W118 AromaticContact CD1-CD2 3.71Å; F112-W118 HydrophobicContact CD1-CD2 3.71Å; F112-W118 AromaticContact CD1-CE2 3.68Å; F112-W118 HydrophobicContact CD1-CE3 4.21Å; F112-W118 AromaticContact CD1-CG 3.94Å; F112-W118 HydrophobicContact CD1-CG 3.94Å; F112-W118 HydrophobicContact CD1-CZ2 4.14Å; F112-W118 AromaticContact CD1-NE1 3.86Å; F112-W118 HydrophobicContact CE1-CD2 4.35Å; F112-W118 HydrophobicContact CE1-CE3 4.45Å; F112-W118 HydrophobicContact CE1-CH2 4.43Å; F112-W118 HydrophobicContact CE1-CZ2 4.3Å; F112-F120 HydrophobicContact CB-CE2 4.18Å; F112-F120 HydrophobicContact CD1-CE2 4.02Å; F112-F120 AromaticContact CD1-CZ 3.54Å; F112-F120 HydrophobicContact CD1-CZ 3.54Å; F112-F120 HydrophobicContact CD2-CE2 4.33Å; F112-F120 HydrophobicContact CD2-CZ 4.14Å; F112-F120 HydrophobicContact CE1-CE1 4.39Å; F112-F120 HydrophobicContact CE1-CE2 4.47Å; F112-F120 AromaticContact CE1-CZ 3.58Å; F112-F120 HydrophobicContact CE1-CZ 3.58Å; F112-F120 HydrophobicContact CE2-CZ 4.19Å; F112-F120 AromaticContact CG-CE2 3.92Å; F112-F120 HydrophobicContact CG-CE2 3.92Å; F112-F120 AromaticContact CG-CZ 3.82Å; F112-F120 HydrophobicContact CG-CZ 3.82Å; F112-F120 HydrophobicContact CZ-CE1 4.5Å; F112-F120 AromaticContact CZ-CZ 3.91Å; F112-F120 HydrophobicContact CZ-CZ 3.91Å; F112-V205 HydrophobicContact CE2-CG1 4.28Å; F112-L207 HydrophobicContact CZ-CD2 4.32Å; F112-L252 HydrophobicContact CE2-CD1 4.01Å; F112-L252 HydrophobicContact CZ-CD1 4.23Å; F112-L399 HydrophobicContact CD1-CD2 4.25Å; F112-L399 HydrophobicContact CE1-CD2 3.32Å; F112-L399 HydrophobicContact CZ-CD2 3.58Å
113Q75.9Confident76.9Confident104 Ų10465.5 Ų65.549%0.48634%0.339SS..  trans-71.4144.4-180-60.5-172.61.600111.1T115 D116Q113-T115 PolarHBondContact O-N 2.98Å; Q113-D116 WeakPolarHBondContact O-CB 3.47Å; Q113-D116 PolarHBondContact O-N 2.76Å
114E68.8Low74.7Confident173 Ų17369.6 Ų69.681%0.80836%0.364SS*.G310 helixtrans-58.9-33.3179.1-69.6-179.6-179.100112.5D116 Q117E114-D116 PolarHBondContact O-N 3.16Å; E114-D116 VanDerWaalsContact O-N 3.14Å; E114-Q117 PolarHBondContact O-N 2.64Å
115T65.9Low72.4Confident113 Ų11377.9 Ų77.969%0.69340%0.402SS*.G310 helixtrans-59.6-23.7176.751.10000113.2Q113 Q117Q113-T115 PolarHBondContact O-N 2.98Å; T115-Q117 VanDerWaalsContact C-N 3.32Å
116D70.1Confident70.2Confident60 Ų6080.3 Ų80.332%0.32142%0.417SS..G310 helixtrans-871179.9-73.5-26.3000113.5Q113 E114 W118 K243Q113-D116 WeakPolarHBondContact O-CB 3.47Å; Q113-D116 PolarHBondContact O-N 2.76Å; E114-D116 PolarHBondContact O-N 3.16Å; E114-D116 VanDerWaalsContact O-N 3.14Å; D116-W118 VanDerWaalsContact C-N 3.34Å; D116-W118 VanDerWaalsContact CB-CD1 3.42Å; D116-W118 VanDerWaalsContact CB-NE1 3.34Å; D116-W118 PolarHBondContact O-N 2.98Å; D116-K243 WeakPolarHBondContact O-CE 3.37Å; D116-K243 WeakPolarHBondContact O-CG 3.27Å
117Q71.6Confident67.8Low119 Ų11978.8 Ų78.856%0.55642%0.424SS*.THydrogen-bonded Turntrans55.342.9176.9-58.2-176.6-24.400114.1E114 T115 S244E114-Q117 PolarHBondContact O-N 2.64Å; T115-Q117 VanDerWaalsContact C-N 3.32Å; Q117-S244 PolarHBondContact O-N 3.36Å; Q117-S244 VanDerWaalsContact O-N 3.08Å; Q117-S244 PolarHBondContact OE1-OG 3.31Å; Q117-S244 VanDerWaalsContact OE1-OG 3.06Å
118W72.9Confident65.5Low32 Ų3284.3 Ų84.312%0.12145%0.449CS..EExtended strand (participates in β ladder)trans-72.1139.2172.9-70.5102.2000111.9F112 D116 F120 W242 K243 I248 G398F112-W118 HydrophobicContact CB-CB 4.46Å; F112-W118 HydrophobicContact CB-CG 4.15Å; F112-W118 AromaticContact CD1-CD2 3.71Å; F112-W118 HydrophobicContact CD1-CD2 3.71Å; F112-W118 AromaticContact CD1-CE2 3.68Å; F112-W118 HydrophobicContact CD1-CE3 4.21Å; F112-W118 AromaticContact CD1-CG 3.94Å; F112-W118 HydrophobicContact CD1-CG 3.94Å; F112-W118 HydrophobicContact CD1-CZ2 4.14Å; F112-W118 AromaticContact CD1-NE1 3.86Å; F112-W118 HydrophobicContact CE1-CD2 4.35Å; F112-W118 HydrophobicContact CE1-CE3 4.45Å; F112-W118 HydrophobicContact CE1-CH2 4.43Å; F112-W118 HydrophobicContact CE1-CZ2 4.3Å; D116-W118 VanDerWaalsContact C-N 3.34Å; D116-W118 VanDerWaalsContact CB-CD1 3.42Å; D116-W118 VanDerWaalsContact CB-NE1 3.34Å; D116-W118 PolarHBondContact O-N 2.98Å; W118-F120 HydrophobicContact CB-CD2 4.48Å; W118-F120 HydrophobicContact CB-CE2 3.78Å; W118-F120 HydrophobicContact CB-CZ 4.38Å; W118-F120 HydrophobicContact CD2-CZ 4.34Å; W118-F120 HydrophobicContact CE3-CE2 4.47Å; W118-F120 AromaticContact CE3-CZ 3.95Å; W118-F120 HydrophobicContact CE3-CZ 3.95Å; W118-F120 HydrophobicContact CG-CE2 4.34Å; W118-W242 CarbonylContact C-O 3.5Å; W118-W242 WeakPolarHBondContact CA-O 3.45Å; W118-W242 VanDerWaalsContact CE3-O 3.31Å; W118-K243 HydrophobicContact CD2-CB 4.3Å; W118-K243 HydrophobicContact CD2-CG 4.29Å; W118-K243 HydrophobicContact CE3-CB 3.9Å; W118-K243 HydrophobicContact CE3-CG 4.39Å; W118-K243 HydrophobicContact CH2-CB 4.07Å; W118-K243 HydrophobicContact CH2-CD 3.94Å; W118-K243 HydrophobicContact CH2-CG 4.36Å; W118-K243 HydrophobicContact CZ2-CB 4.46Å; W118-K243 HydrophobicContact CZ2-CD 3.68Å; W118-K243 HydrophobicContact CZ2-CG 4.27Å; W118-K243 HydrophobicContact CZ3-CB 3.74Å; W118-K243 HydrophobicContact CZ3-CD 4.45Å; W118-K243 HydrophobicContact CZ3-CG 4.38Å; W118-I248 HydrophobicContact CE3-CD1 4.45Å; W118-I248 HydrophobicContact CH2-CD1 4.03Å; W118-I248 HydrophobicContact CH2-CG2 4.31Å; W118-I248 HydrophobicContact CZ3-CD1 3.43Å; W118-I248 VanDerWaalsContact CZ3-CD1 3.43Å; W118-I248 HydrophobicContact CZ3-CG2 3.79Å; W118-G398 WeakPolarHBondContact CH2-O 3.35Å; W118-G398 WeakPolarHBondContact CZ2-O 3.34Å
119R71.6Confident63.4Low120 Ų12084.8 Ų84.845%0.45345%0.452SS..EExtended strand (participates in β ladder)trans-135.1131.9169.8-61.5179.2-177.4179-1.6109.7W242 N245R119-W242 HydrophobicContact CB-CB 4.12Å; R119-W242 PolarHBondContact N-O 3.46Å; R119-W242 WeakPolarHBondContact O-CB 3.29Å; R119-W242 PolarHBondContact O-N 2.79Å; R119-N245 PolarHBondContact NH1-OD1 2.93Å
120F70.2Confident61.4Low23 Ų2386.4 Ų86.410%0.10146%0.46CS..  trans-115.928.2-178-67-80.8000112.7F108 F112 W118 L136 S238 F240 L252F108-F120 AromaticContact CE2-CD2 3.78Å; F108-F120 HydrophobicContact CE2-CD2 3.78Å; F108-F120 AromaticContact CE2-CE2 3.54Å; F108-F120 HydrophobicContact CE2-CE2 3.54Å; F108-F120 HydrophobicContact CE2-CG 4.41Å; F108-F120 HydrophobicContact CE2-CZ 4.02Å; F108-F120 AromaticContact CZ-CD2 3.52Å; F108-F120 HydrophobicContact CZ-CD2 3.52Å; F108-F120 AromaticContact CZ-CE2 3.46Å; F108-F120 HydrophobicContact CZ-CE2 3.46Å; F108-F120 VanDerWaalsContact CZ-CE2 3.46Å; F108-F120 HydrophobicContact CZ-CG 4.45Å; F108-F120 HydrophobicContact CZ-CZ 4.38Å; F112-F120 HydrophobicContact CB-CE2 4.18Å; F112-F120 HydrophobicContact CD1-CE2 4.02Å; F112-F120 AromaticContact CD1-CZ 3.54Å; F112-F120 HydrophobicContact CD1-CZ 3.54Å; F112-F120 HydrophobicContact CD2-CE2 4.33Å; F112-F120 HydrophobicContact CD2-CZ 4.14Å; F112-F120 HydrophobicContact CE1-CE1 4.39Å; F112-F120 HydrophobicContact CE1-CE2 4.47Å; F112-F120 AromaticContact CE1-CZ 3.58Å; F112-F120 HydrophobicContact CE1-CZ 3.58Å; F112-F120 HydrophobicContact CE2-CZ 4.19Å; F112-F120 AromaticContact CG-CE2 3.92Å; F112-F120 HydrophobicContact CG-CE2 3.92Å; F112-F120 AromaticContact CG-CZ 3.82Å; F112-F120 HydrophobicContact CG-CZ 3.82Å; F112-F120 HydrophobicContact CZ-CE1 4.5Å; F112-F120 AromaticContact CZ-CZ 3.91Å; F112-F120 HydrophobicContact CZ-CZ 3.91Å; W118-F120 HydrophobicContact CB-CD2 4.48Å; W118-F120 HydrophobicContact CB-CE2 3.78Å; W118-F120 HydrophobicContact CB-CZ 4.38Å; W118-F120 HydrophobicContact CD2-CZ 4.34Å; W118-F120 HydrophobicContact CE3-CE2 4.47Å; W118-F120 AromaticContact CE3-CZ 3.95Å; W118-F120 HydrophobicContact CE3-CZ 3.95Å; W118-F120 HydrophobicContact CG-CE2 4.34Å; F120-L136 HydrophobicContact CB-CD1 4.29Å; F120-S238 PolarHBondContact O-OG 3.1Å; F120-F240 WeakPolarHBondContact CA-O 3.08Å; F120-L252 HydrophobicContact CD1-CB 4.38Å; F120-L252 HydrophobicContact CD1-CD2 4.07Å; F120-L252 HydrophobicContact CE1-CB 4.37Å; F120-L252 HydrophobicContact CE1-CD2 4.18Å; F120-L252 HydrophobicContact CG-CD2 4.46Å
121H63.8Low60.1Low60 Ų6088.4 Ų88.428%0.27845%0.454SS..  trans-124.2161.7-175.671.993.1000113
122G50.9Low58.8Low42 Ų4291.3 Ų91.343%0.43347%0.469SS..  trans-117134.8162.800000110
123D45.8Very low57.6Low144 Ų14491.1 Ų91.177%0.7747%0.469SS*.  trans55.8142.6176.3-60.5-22.6000120.1E125D123-E125 VanDerWaalsContact C-N 3.33Å; D123-E125 PolarHBondContact O-N 2.79Å
124D46Very low57.3Low141 Ų14189.8 Ų89.875%0.75446%0.463SS*.G310 helixtrans-78.71.3-169.7-73.4-36.5000115.1D126D124-D126 VanDerWaalsContact C-N 3.29Å; D124-D126 PolarHBondContact O-N 2.63Å
125E46.1Very low57.7Low173 Ų17382.3 Ų82.381%0.80843%0.43SS*.G310 helixtrans-74.1-11.6-169.6-69.7-161.7167.600115.1D123D123-E125 VanDerWaalsContact C-N 3.33Å; D123-E125 PolarHBondContact O-N 2.79Å
126D44Very low58.7Low80 Ų8077.3 Ų77.343%0.42840%0.399SS..G310 helixtrans-121.860.3179-83.4-42.6000111.6R47 D124 E128 L129R47-D126 IonicContact CZ-OD2 3.05Å; R47-D126 IonicContact NH1-OD2 2.95Å; R47-D126 VanDerWaalsContact NH2-CG 3.28Å; R47-D126 IonicContact NH2-OD1 3.8Å; R47-D126 IonicContact NH2-OD2 3.67Å; R47-D126 PolarHBondContact NH2-OD2 2.76Å; D124-D126 VanDerWaalsContact C-N 3.29Å; D124-D126 PolarHBondContact O-N 2.63Å; D126-E128 PolarHBondContact O-N 2.79Å; D126-E128 VanDerWaalsContact O-N 3.09Å; D126-L129 PolarHBondContact O-N 2.95Å
127A41.1Very low59.8Low86 Ų8674.4 Ų74.471%0.71138%0.384SS*.THydrogen-bonded Turntrans-59-14173.900000114.5L129A127-L129 VanDerWaalsContact C-N 3.32Å; A127-L129 PolarHBondContact O-N 3.15Å
128E42.7Very low60.8Low132 Ų13268.8 Ų68.862%0.61736%0.357SS*.THydrogen-bonded Turntrans-76.7-11.6178.5-76.1-165.7168.900114.6R21 D126R21-E128 IonicContact NH2-OE2 3.45Å; R21-E128 PolarHBondContact NH2-OE2 2.92Å; D126-E128 PolarHBondContact O-N 2.79Å; D126-E128 VanDerWaalsContact O-N 3.09Å
129L46.3Very low61.9Low22 Ų2267.3 Ų67.312%0.11535%0.352CS..SBendtrans-120.979.7173.7-75.8163.4000108.2R47 D126 A127 R131R47-L129 HydrophobicContact CG-CD1 3.73Å; D126-L129 PolarHBondContact O-N 2.95Å; A127-L129 VanDerWaalsContact C-N 3.32Å; A127-L129 PolarHBondContact O-N 3.15Å; L129-R131 PolarHBondContact O-N 3.2Å
130I44.6Very low63.2Low122 Ų12261.6 Ų61.663%0.62633%0.33SS*.  trans-53.3104.5162.7-56.1174.7000106D132I130-D132 VanDerWaalsContact CG2-OD1 3.29Å; I130-D132 WeakPolarHBondContact CG2-OD1 3.3Å; I130-D132 WeakPolarHBondContact CG2-OD2 3.43Å; I130-D132 PolarHBondContact O-N 3.17Å
131R57.9Low64.4Low85 Ų8560.6 Ų60.632%0.32133%0.326SS..  trans-83.464.4-177.8-75.9-179.4-120.4-143.97.7109.5L43 L129L43-R131 HydrophobicContact CD1-CG 4.09Å; L43-R131 HydrophobicContact CD2-CG 4.19Å; L129-R131 PolarHBondContact O-N 3.2Å
132D55.4Low66Low75 Ų7557.7 Ų57.740%0.40131%0.313SS..  trans-64162.2165.1-63.4-28.4000109.4I130 Q134 S135I130-D132 VanDerWaalsContact CG2-OD1 3.29Å; I130-D132 WeakPolarHBondContact CG2-OD1 3.3Å; I130-D132 WeakPolarHBondContact CG2-OD2 3.43Å; I130-D132 PolarHBondContact O-N 3.17Å; D132-Q134 HydrophobicContact CB-CG 4.5Å; D132-Q134 PolarHBondContact O-N 2.73Å; D132-S135 PolarHBondContact O-N 3.18Å
133A57.9Low68.1Low7 Ų761.1 Ų61.16%0.05831%0.312CS..Hα-helixtrans-45.2-28.8174.300000113.8F108 L109 S135 L136 S137F108-A133 HydrophobicContact CD1-CB 3.35Å; F108-A133 HydrophobicContact CE1-CB 3.61Å; F108-A133 HydrophobicContact CG-CB 4.43Å; L109-A133 HydrophobicContact CD1-CB 4.12Å; L109-A133 HydrophobicContact CD2-CB 3.36Å; L109-A133 HydrophobicContact CG-CB 3.52Å; A133-S135 VanDerWaalsContact C-N 3.32Å; A133-S135 PolarHBondContact O-N 2.8Å; A133-L136 PolarHBondContact O-N 2.82Å; A133-S137 PolarHBondContact O-N 2.68Å; A133-S137 PolarHBondContact O-OG 3.03Å
134Q69.9Low70.2Confident76 Ų7654.4 Ų54.436%0.35528%0.277SS..Hα-helixtrans-53.3-46.5175.6-59.7-173.2-0.900111.9D132 S137 W138D132-Q134 HydrophobicContact CB-CG 4.5Å; D132-Q134 PolarHBondContact O-N 2.73Å; Q134-S137 PolarHBondContact O-OG 3.1Å; Q134-W138 PolarHBondContact O-NE1 2.73Å; Q134-W138 VanDerWaalsContact O-NE1 3.15Å
135S77.1Confident71.6Confident16 Ų1649.5 Ų49.511%0.11226%0.26CS..Hα-helixtrans-81.3-33.8-176.3-66.60000113.4D132 A133 S137 W138D132-S135 PolarHBondContact O-N 3.18Å; A133-S135 VanDerWaalsContact C-N 3.32Å; A133-S135 PolarHBondContact O-N 2.8Å; S135-S137 PolarHBondContact O-N 3.23Å; S135-W138 PolarHBondContact O-N 3.44Å
136L87.1Confident72.3Confident8 Ų845.5 Ų45.54%0.04225%0.247CC..Hα-helixtrans-69.5-19.5-178.1-65.9-179.6000113.4F104 F108 F120 A133 W138 V237F104-L136 HydrophobicContact CE1-CB 4.46Å; F108-L136 HydrophobicContact CE2-CD1 4.11Å; F108-L136 HydrophobicContact CZ-CD1 3.9Å; F120-L136 HydrophobicContact CB-CD1 4.29Å; A133-L136 PolarHBondContact O-N 2.82Å; L136-W138 VanDerWaalsContact C-N 3.35Å; L136-V237 HydrophobicContact CB-CG1 3.83Å; L136-V237 HydrophobicContact CD1-CG1 4.47Å; L136-V237 HydrophobicContact CD2-CG1 3.99Å; L136-V237 HydrophobicContact CG-CG1 4.31Å
137S92.3Very high72.9Confident0 Ų043.2 Ų43.20%024%0.236CC..THydrogen-bonded Turntrans-82.5-6.8-179.963.50000114.9N100 C101 A133 Q134 S135 F139N100-S137 PolarHBondContact OD1-OG 3.38Å; C101-S137 WeakPolarHBondContact CB-O 3.31Å; C101-S137 PolarHBondContact N-O 3.26Å; A133-S137 PolarHBondContact O-N 2.68Å; A133-S137 PolarHBondContact O-OG 3.03Å; Q134-S137 PolarHBondContact O-OG 3.1Å; S135-S137 PolarHBondContact O-N 3.23Å; S137-F139 VanDerWaalsContact O-CD2 3.29Å; S137-F139 WeakPolarHBondContact O-CD2 3.36Å; S137-F139 VanDerWaalsContact O-CE2 3.29Å; S137-F139 WeakPolarHBondContact O-CE2 3.41Å
138W93.8Very high73.2Confident1 Ų141.5 Ų41.50%0.00422%0.222CC..EExtended strand (participates in β ladder)trans-90.1136-179.5-6894.6000112.4G42 L55 A59 L62 L98 V99 N100 Q134 S135 L136G42-W138 WeakPolarHBondContact CA-O 3.32Å; G42-W138 PolarHBondContact N-O 2.65Å; L55-W138 HydrophobicContact CD2-CD2 4.38Å; L55-W138 HydrophobicContact CD2-CZ2 4.22Å; A59-W138 HydrophobicContact CB-CH2 4.22Å; A59-W138 VanDerWaalsContact O-CH2 3.26Å; A59-W138 WeakPolarHBondContact O-CH2 3.43Å; L62-W138 HydrophobicContact CD1-CH2 4.27Å; L62-W138 HydrophobicContact CD1-CZ3 4.3Å; L62-W138 HydrophobicContact CD2-CH2 4.38Å; L62-W138 HydrophobicContact CG-CH2 3.91Å; L62-W138 HydrophobicContact CG-CZ3 3.85Å; L98-W138 HydrophobicContact CB-CE3 4.2Å; L98-W138 HydrophobicContact CD2-CB 4.08Å; L98-W138 HydrophobicContact CD2-CD2 4.03Å; L98-W138 HydrophobicContact CD2-CE3 3.74Å; L98-W138 HydrophobicContact CD2-CG 4.2Å; L98-W138 HydrophobicContact CD2-CZ3 4.45Å; L98-W138 HydrophobicContact CG-CB 4.14Å; L98-W138 HydrophobicContact CG-CD2 4.34Å; L98-W138 HydrophobicContact CG-CE3 3.72Å; L98-W138 HydrophobicContact CG-CZ3 4.49Å; V99-W138 CarbonylContact O-C 3.5Å; V99-W138 WeakPolarHBondContact O-CA 3.26Å; N100-W138 HydrophobicContact CB-CD2 3.88Å; N100-W138 HydrophobicContact CB-CE3 3.68Å; N100-W138 HydrophobicContact CB-CH2 3.68Å; N100-W138 HydrophobicContact CB-CZ2 3.83Å; N100-W138 HydrophobicContact CB-CZ3 3.6Å; Q134-W138 PolarHBondContact O-NE1 2.73Å; Q134-W138 VanDerWaalsContact O-NE1 3.15Å; S135-W138 PolarHBondContact O-N 3.44Å; L136-W138 VanDerWaalsContact C-N 3.35Å
139F96.4Very high73.4Confident1 Ų140.7 Ų40.70%0.00422%0.222CC..EExtended strand (participates in β ladder)trans-128.5136.2177.8-61.2-88.4000110.5L39 C40 L98 V99 C101 S137 V235 V237 C254 I259L39-F139 HydrophobicContact CD1-CB 4.01Å; C40-F139 CarbonylContact O-C 3.52Å; C40-F139 WeakPolarHBondContact O-CA 3.21Å; L98-F139 CarbonylContact C-O 3.48Å; L98-F139 WeakPolarHBondContact CA-O 3.44Å; V99-F139 HydrophobicContact CG1-CB 4.02Å; V99-F139 PolarHBondContact N-O 2.81Å; V99-F139 PolarHBondContact O-N 3.19Å; C101-F139 HydrophobicContact CB-CD2 3.93Å; C101-F139 HydrophobicContact CB-CE2 3.67Å; S137-F139 VanDerWaalsContact O-CD2 3.29Å; S137-F139 WeakPolarHBondContact O-CD2 3.36Å; S137-F139 VanDerWaalsContact O-CE2 3.29Å; S137-F139 WeakPolarHBondContact O-CE2 3.41Å; F139-V235 HydrophobicContact CD1-CB 4.48Å; F139-V235 HydrophobicContact CD1-CG1 4.22Å; F139-V235 HydrophobicContact CE1-CB 4.13Å; F139-V235 HydrophobicContact CE1-CG1 4.04Å; F139-V237 HydrophobicContact CE1-CG2 4.08Å; F139-V237 HydrophobicContact CZ-CG2 3.85Å; F139-C254 HydrophobicContact CE1-CB 4.08Å; F139-C254 HydrophobicContact CE2-CB 4.19Å; F139-C254 HydrophobicContact CZ-CB 3.39Å; F139-C254 VanDerWaalsContact CZ-SG 3.6Å; F139-I259 HydrophobicContact CB-CG2 4.3Å; F139-I259 HydrophobicContact CD1-CD1 3.69Å; F139-I259 HydrophobicContact CD1-CG1 4.43Å; F139-I259 HydrophobicContact CD2-CD1 4.09Å; F139-I259 HydrophobicContact CD2-CG1 3.94Å; F139-I259 HydrophobicContact CE1-CD1 3.63Å; F139-I259 HydrophobicContact CE1-CG1 4.46Å; F139-I259 HydrophobicContact CE2-CD1 4.04Å; F139-I259 HydrophobicContact CE2-CG1 3.99Å; F139-I259 HydrophobicContact CG-CD1 3.94Å; F139-I259 HydrophobicContact CG-CG1 4.19Å; F139-I259 HydrophobicContact CG-CG2 4.34Å; F139-I259 HydrophobicContact CZ-CD1 3.83Å; F139-I259 HydrophobicContact CZ-CG1 4.27Å
140A96.9Very high73.2Confident0 Ų047.2 Ų47.20%026%0.256CS..EExtended strand (participates in β ladder)trans-95130.5178.100000110.1C40 F45 L95 L98 L142C40-A140 PolarHBondContact N-O 3.24Å; C40-A140 VanDerWaalsContact N-O 3.09Å; C40-A140 PolarHBondContact O-N 2.75Å; F45-A140 HydrophobicContact CD2-CB 3.66Å; F45-A140 HydrophobicContact CE2-CB 3.44Å; F45-A140 VanDerWaalsContact CE2-CB 3.44Å; F45-A140 HydrophobicContact CG-CB 4.31Å; F45-A140 HydrophobicContact CZ-CB 3.92Å; L95-A140 HydrophobicContact CD1-CB 4Å; L98-A140 HydrophobicContact CD1-CB 3.72Å; A140-L142 HydrophobicContact CB-CD2 4.14Å; A140-L142 HydrophobicContact CB-CG 4.49Å
141V97.3Very high73Confident1 Ų148.6 Ų48.61%0.00627%0.265CS..EExtended strand (participates in β ladder)trans-101.9119169.6-171.40000107.6T37 L39 L96 M97 V263 P272T37-V141 HydrophobicContact CG2-CG1 3.89Å; L39-V141 HydrophobicContact CD1-CG2 4.23Å; L96-V141 WeakPolarHBondContact CB-O 3.38Å; L96-V141 HydrophobicContact CD1-CG1 4.28Å; L96-V141 PolarHBondContact N-O 3.09Å; M97-V141 HydrophobicContact CG-CB 3.97Å; M97-V141 HydrophobicContact CG-CG2 3.9Å; M97-V141 PolarHBondContact N-O 2.93Å; M97-V141 PolarHBondContact O-N 2.85Å; M97-V141 HydrophobicContact SD-CG2 4.36Å; V141-V263 HydrophobicContact CG2-CG2 3.87Å; V141-P272 HydrophobicContact CG1-CB 4.37Å; V141-P272 HydrophobicContact CG1-CG 4.05Å
142L96.3Very high72.4Confident0 Ų049.3 Ų49.30%028%0.279CS..EExtended strand (participates in β ladder)trans-117155.2-175.1-49.6177.3000111I13 T37 V38 F45 I73 E94 L95 A140I13-L142 HydrophobicContact CD1-CD1 3.81Å; I13-L142 HydrophobicContact CG1-CD1 4.16Å; I13-L142 HydrophobicContact CG2-CD1 3.89Å; T37-L142 WeakPolarHBondContact CA-O 3.48Å; V38-L142 HydrophobicContact CB-CB 4.3Å; V38-L142 PolarHBondContact N-O 2.84Å; V38-L142 PolarHBondContact O-N 2.91Å; F45-L142 HydrophobicContact CE1-CD2 3.95Å; F45-L142 HydrophobicContact CZ-CD1 4.04Å; F45-L142 HydrophobicContact CZ-CD2 3.83Å; F45-L142 HydrophobicContact CZ-CG 4.47Å; I73-L142 HydrophobicContact CD1-CD2 4.38Å; I73-L142 HydrophobicContact CG2-CD1 4.25Å; E94-L142 CarbonylContact O-C 3.45Å; E94-L142 VanDerWaalsContact O-CA 3.23Å; E94-L142 WeakPolarHBondContact O-CA 3.33Å; L95-L142 HydrophobicContact CB-CD2 4.16Å; L95-L142 HydrophobicContact CD1-CD2 3.56Å; L95-L142 HydrophobicContact CG-CD2 4.49Å; A140-L142 HydrophobicContact CB-CD2 4.14Å; A140-L142 HydrophobicContact CB-CG 4.49Å
143R94.6Very high72Confident113 Ų11353.9 Ų53.943%0.42630%0.304SS..EExtended strand (participates in β ladder)trans-112.4121.5163.3179.1176.8-69.2161.6-2.3109.5G93 E94 L96G93-R143 CarbonylContact C-O 3.49Å; G93-R143 WeakPolarHBondContact CA-O 3.37Å; E94-R143 HydrophobicContact CB-CB 4.32Å; E94-R143 PolarHBondContact N-O 2.91Å; E94-R143 PolarHBondContact O-N 2.82Å; E94-R143 IonicContact OE2-NH1 2.96Å; L96-R143 HydrophobicContact CD1-CB 4.17Å; L96-R143 HydrophobicContact CD2-CB 4.07Å; L96-R143 HydrophobicContact CG-CB 4.19Å
144A90.8Very high71.8Confident3 Ų357.6 Ų57.63%0.02533%0.326CS..EExtended strand (participates in β ladder)trans-103.1144.1172.700000110.1G36 V38 V75 V91 V146G36-A144 PolarHBondContact O-N 3.08Å; V38-A144 HydrophobicContact CG2-CB 4.41Å; V75-A144 HydrophobicContact CB-CB 4.11Å; V75-A144 HydrophobicContact CG1-CB 4.16Å; V75-A144 HydrophobicContact CG2-CB 3.96Å; V91-A144 HydrophobicContact CG2-CB 3.95Å; A144-V146 PolarHBondContact O-N 2.93Å
145G75.6Confident71.7Confident39 Ų3959.3 Ų59.340%0.40233%0.334SS..SBendtrans-54.1136.6175.700000112.4S92 V147S92-G145 PolarHBondContact O-N 3.07Å; G145-V147 PolarHBondContact O-N 3.4Å
146V60.2Low71.9Confident89 Ų8958.9 Ų58.954%0.53933%0.331SS..  trans-24.9113.3-168-1770000114.8R89 A144 A148R89-V146 PolarHBondContact NH1-O 2.82Å; R89-V146 PolarHBondContact NH2-O 2.99Å; A144-V146 PolarHBondContact O-N 2.93Å; V146-A148 VanDerWaalsContact C-N 3.28Å; V146-A148 HydrophobicContact CG1-CB 3.62Å
147V55.9Low71.8Confident32 Ų3258.7 Ų58.719%0.19433%0.33CS..  trans-79.4-7.1178.3-177.40000112.2I30 L77 G145 N149I30-V147 HydrophobicContact CD1-CG1 4.36Å; L77-V147 HydrophobicContact CD1-CG1 4.34Å; L77-V147 HydrophobicContact CD1-CG2 4.07Å; G145-V147 PolarHBondContact O-N 3.4Å; V147-N149 PolarHBondContact O-N 2.93Å; V147-N149 VanDerWaalsContact O-N 3.14Å
148A48.6Very low71.7Confident49 Ų4960.5 Ų60.541%0.40534%0.341SS..  trans-64.8114.1-175.100000112.9V146V146-A148 VanDerWaalsContact C-N 3.28Å; V146-A148 HydrophobicContact CG1-CB 3.62Å
149N45.8Very low71.6Confident116 Ų11661.6 Ų61.662%0.6235%0.346SS*.  trans-78.1131.1140.3-85.4-24.4000106.3V147 N151V147-N149 PolarHBondContact O-N 2.93Å; V147-N149 VanDerWaalsContact O-N 3.14Å; N149-N151 PolarHBondContact O-N 2.8Å
150N42.3Very low71.3Confident158 Ų15863.4 Ų63.485%0.84535%0.354SS*.THydrogen-bonded Turntrans-59.112.1-172.1-72.8-9.9000117.1
151N41.8Very low71Confident152 Ų15264.4 Ų64.481%0.81336%0.361SS*.THydrogen-bonded Turntrans-132.116.7-164.7-88.926.3000116.5N149N149-N151 PolarHBondContact O-N 2.8Å
152T44.9Very low70.6Confident99 Ų9964.4 Ų64.461%0.60736%0.361SS*.  trans-134.111017353.20000111.7T154T152-T154 PolarHBondContact O-N 2.83Å
153D47Very low70.1Confident172 Ų17269.1 Ų69.192%0.9239%0.386SS*.  trans-66.127.6176.3-69.7-36.1000114.5E155D153-E155 PolarHBondContact O-N 2.74Å
154T52.7Low69.6Low85 Ų8566.9 Ų66.952%0.52139%0.388SS..  trans-84.798.6175.9450000109.7T152T152-T154 PolarHBondContact O-N 2.83Å
155E68.8Low69.6Low111 Ų11167.3 Ų67.352%0.51939%0.39SS..  trans-58.2-44.3178.7-78.7-175.6150.700113H32 D153 Q279H32-E155 PolarHBondContact CD2-O 3.38Å; H32-E155 PolarHBondContact NE2-O 3.33Å; D153-E155 PolarHBondContact O-N 2.74Å; E155-Q279 PolarHBondContact OE2-NE2 2.79Å
156S80.1Confident70.3Confident7 Ų771.4 Ų71.45%0.04940%0.398CS..SBendtrans-146.6162.4177.6960000112.3P158 Q279S156-P158 WeakPolarHBondContact O-CD 3.41Å; S156-Q279 PolarHBondContact OG-OE1 3.36Å
157T85.9Confident71.8Confident5 Ų570.2 Ų70.23%0.03139%0.386CS..  trans-73.5118.2171-62.20000108.2I30 V31 W159 F222 L232I30-T157 PolarHBondContact O-OG1 2.99Å; V31-T157 PolarHBondContact O-N 3.27Å; T157-W159 PolarHBondContact O-N 3.42Å; T157-F222 HydrophobicContact CG2-CE1 4.06Å; T157-L232 HydrophobicContact CG2-CB 4.38Å
158P90.9Very high73.6Confident37 Ų3769.7 Ų69.724%0.2439%0.387CS..  trans-64136.1-176.525.8-32.9000109.8M1 S156 R231 L232M1-P158 HydrophobicContact CB-CG 3.52Å; S156-P158 WeakPolarHBondContact O-CD 3.41Å; P158-R231 CarbonylContact O-C 3.44Å; P158-R231 WeakPolarHBondContact O-CA 3.31Å; P158-L232 PolarHBondContact O-N 3.02Å
159W91.8Very high75.7Confident24 Ų2468.9 Ų68.99%0.09138%0.378CS..BIsolated β-bridgetrans-131.9166.1-179.271.7-83.2000110.3T157 L232 V256 D257 F260 V276 W277 K280T157-W159 PolarHBondContact O-N 3.42Å; W159-L232 CarbonylContact C-O 3.27Å; W159-L232 WeakPolarHBondContact CA-O 3.39Å; W159-L232 HydrophobicContact CB-CB 3.96Å; W159-L232 VanDerWaalsContact CB-O 3.3Å; W159-L232 WeakPolarHBondContact CB-O 3.36Å; W159-V256 HydrophobicContact CB-CG1 4.29Å; W159-V256 HydrophobicContact CE3-CG1 4.01Å; W159-D257 HydrophobicContact CZ3-CB 3.81Å; W159-F260 HydrophobicContact CB-CE2 4.43Å; W159-F260 AromaticContact CD1-CE2 3.9Å; W159-F260 AromaticContact CD2-CD2 3.98Å; W159-F260 HydrophobicContact CD2-CD2 3.98Å; W159-F260 AromaticContact CD2-CE2 3.79Å; W159-F260 HydrophobicContact CD2-CE2 3.79Å; W159-F260 AromaticContact CE2-CD2 3.89Å; W159-F260 AromaticContact CE2-CE2 3.92Å; W159-F260 HydrophobicContact CE3-CD2 4.26Å; W159-F260 HydrophobicContact CE3-CE2 4.36Å; W159-F260 HydrophobicContact CG-CD2 4.46Å; W159-F260 AromaticContact CG-CE2 3.8Å; W159-F260 HydrophobicContact CG-CE2 3.8Å; W159-F260 HydrophobicContact CH2-CD2 4.36Å; W159-F260 HydrophobicContact CZ2-CD2 4.09Å; W159-F260 HydrophobicContact CZ3-CD2 4.45Å; W159-F260 AromaticContact NE1-CE2 3.97Å; W159-V276 PolarHBondContact NE1-O 3.03Å; W159-W277 HydrophobicContact CH2-CE3 4.13Å; W159-W277 AromaticContact CH2-CZ3 3.83Å; W159-W277 HydrophobicContact CH2-CZ3 3.83Å; W159-W277 AromaticContact CZ2-CE3 3.75Å; W159-W277 HydrophobicContact CZ2-CE3 3.75Å; W159-W277 AromaticContact CZ2-CZ3 3.94Å; W159-W277 HydrophobicContact CZ2-CZ3 3.94Å; W159-K280 HydrophobicContact CH2-CD 3.99Å; W159-K280 HydrophobicContact CZ2-CB 4.35Å; W159-K280 HydrophobicContact CZ2-CD 3.97Å; W159-K280 HydrophobicContact CZ2-CG 4.36Å
160Q90.1Very high78.1Confident39 Ų3966.2 Ų66.218%0.18237%0.367CS..  trans-138.3143.3-179.5-179.1174.92.700110.4S162 S164 R231 L232 I233Q160-S162 PolarHBondContact O-N 3.2Å; Q160-S164 WeakPolarHBondContact CG-OG 3.42Å; Q160-S164 PolarHBondContact NE2-OG 3.45Å; Q160-R231 HydrophobicContact CB-CB 3.99Å; Q160-L232 PolarHBondContact N-O 3.36Å; Q160-I233 HydrophobicContact CB-CG2 4.26Å
161S90.3Very high80.7Confident22 Ų2258.8 Ų58.815%0.15433%0.327CS..  trans-64.7133.3173.21780000110.9L163 S164 D257S161-L163 PolarHBondContact O-N 3.27Å; S161-L163 PolarHBondContact OG-N 2.98Å; S161-S164 PolarHBondContact O-N 3.39Å; S161-S164 PolarHBondContact O-OG 2.66Å; S161-D257 WeakPolarHBondContact CB-OD2 3.39Å; S161-D257 PolarHBondContact OG-OD2 3.02Å
162S88.3Confident83.4Confident0 Ų051.6 Ų51.60%029%0.289CS..G310 helixtrans-65.1-15.8178.945.40000113.8Q160 S164 L165 D202 N203 S255Q160-S162 PolarHBondContact O-N 3.2Å; S162-S164 PolarHBondContact O-N 3.35Å; S162-L165 VanDerWaalsContact O-CB 3.31Å; S162-L165 WeakPolarHBondContact O-CB 3.15Å; S162-L165 PolarHBondContact O-N 3.13Å; S162-L165 VanDerWaalsContact O-N 3.11Å; S162-D202 WeakPolarHBondContact CB-O 3.1Å; S162-D202 PolarHBondContact OG-O 2.88Å; S162-N203 PolarHBondContact O-ND2 2.83Å; S162-S255 WeakPolarHBondContact CB-OG 3.21Å; S162-S255 WeakPolarHBondContact OG-CB 3.41Å; S162-S255 PolarHBondContact OG-OG 3.46Å
163L86.8Confident85.9Confident100 Ų10047 Ų4752%0.52426%0.261SS..G310 helixtrans-58.5-31.3173.8-80.3170.5000113.5S161 L165 D202S161-L163 PolarHBondContact O-N 3.27Å; S161-L163 PolarHBondContact OG-N 2.98Å; L163-L165 VanDerWaalsContact C-N 3.31Å; L163-D202 WeakPolarHBondContact CD1-OD1 3.28Å; L163-D202 HydrophobicContact CD2-CB 4.39Å; L163-D202 VanDerWaalsContact CD2-OD1 3.32Å; L163-D202 WeakPolarHBondContact CD2-OD1 3.42Å; L163-D202 HydrophobicContact CG-CB 4.34Å; L163-D202 WeakPolarHBondContact CG-OD1 3.31Å
164S84.2Confident88.3Confident66 Ų6638.9 Ų38.946%0.46222%0.218SC..G310 helixtrans-86.3-3.3-17961.70000113.4Q160 S161 S162Q160-S164 WeakPolarHBondContact CG-OG 3.42Å; Q160-S164 PolarHBondContact NE2-OG 3.45Å; S161-S164 PolarHBondContact O-N 3.39Å; S161-S164 PolarHBondContact O-OG 2.66Å; S162-S164 PolarHBondContact O-N 3.35Å
165L90.3Very high90.3Very high12 Ų1235 Ų356%0.06319%0.194CC..  trans-74.1139.1-178.3-68.2174.5000111.9S162 L163 L198 I206 V223 I233S162-L165 VanDerWaalsContact O-CB 3.31Å; S162-L165 WeakPolarHBondContact O-CB 3.15Å; S162-L165 PolarHBondContact O-N 3.13Å; S162-L165 VanDerWaalsContact O-N 3.11Å; L163-L165 VanDerWaalsContact C-N 3.31Å; L165-L198 HydrophobicContact CB-CD1 3.98Å; L165-L198 HydrophobicContact CB-CD2 4.36Å; L165-L198 HydrophobicContact CD1-CD2 4.31Å; L165-L198 WeakPolarHBondContact O-CD1 3.45Å; L165-I206 HydrophobicContact CD1-CD1 3.87Å; L165-I206 HydrophobicContact CD1-CG1 4.47Å; L165-V223 HydrophobicContact CD2-CB 4.4Å; L165-V223 HydrophobicContact CD2-CG2 4.38Å; L165-I233 HydrophobicContact CD1-CB 4.17Å; L165-I233 HydrophobicContact CD1-CD1 3.88Å; L165-I233 HydrophobicContact CD1-CG2 4.48Å; L165-I233 HydrophobicContact CD2-CD1 4.03Å; L165-I233 HydrophobicContact CD2-CG2 4.05Å
166Q90.3Very high91.4Very high125 Ų12529.7 Ų29.758%0.58417%0.169SC*.  trans-115.7148.1171.2-61.8-175.8-23.600109.9C169Q166-C169 WeakPolarHBondContact O-CB 3.34Å; Q166-C169 PolarHBondContact O-N 3.14Å; Q166-C169 PolarHBondContact O-SG 3.05Å
167K92.3Very high91.8Very high64 Ų6429.6 Ų29.628%0.27817%0.168SC..THydrogen-bonded Turntrans-63.3142.1170.7-54.1-176.6-163.6-170.50109C169 V195 N197 L198 C403 P405 L407K167-C169 VanDerWaalsContact C-N 3.32Å; K167-V195 CarbonylContact C-O 3.57Å; K167-V195 WeakPolarHBondContact CA-O 3.37Å; K167-N197 WeakPolarHBondContact CE-OD1 3.49Å; K167-N197 PolarHBondContact NZ-OD1 3.18Å; K167-L198 HydrophobicContact CG-CD1 4.45Å; K167-C403 PolarHBondContact NZ-O 2.85Å; K167-P405 WeakPolarHBondContact CD-O 3.43Å; K167-P405 PolarHBondContact NZ-O 3.46Å; K167-L407 HydrophobicContact CB-CD1 4.02Å; K167-L407 HydrophobicContact CB-CD2 4.34Å; K167-L407 HydrophobicContact CD-CD1 4.28Å
168G93.1Very high91.5Very high21 Ų2133.4 Ų33.422%0.21618%0.184CC..THydrogen-bonded Turntrans88.6-11.6-17600000114.6I194 V195G168-I194 WeakPolarHBondContact O-CG2 3.34Å; G168-V195 PolarHBondContact N-O 3.41Å
169C93.2Very high90.4Very high31 Ų3131.7 Ų31.721%0.20917%0.174CC..  trans-56.5131.5173.8-74.30000110.3Q166 K167 I194 V195 V223Q166-C169 WeakPolarHBondContact O-CB 3.34Å; Q166-C169 PolarHBondContact O-N 3.14Å; Q166-C169 PolarHBondContact O-SG 3.05Å; K167-C169 VanDerWaalsContact C-N 3.32Å; C169-I194 CarbonylContact O-C 3.48Å; C169-I194 WeakPolarHBondContact O-CA 3.32Å; C169-V195 HydrophobicContact CB-CB 4.49Å; C169-V195 HydrophobicContact CB-CG2 4.1Å; C169-V195 PolarHBondContact O-N 2.87Å; C169-V223 HydrophobicContact CB-CG2 4.19Å
170P95.9Very high89.4Confident61 Ų6134.4 Ų34.440%0.39620%0.196SC..EExtended strand (participates in β ladder)trans-67.7139.5178.228.2-32.4000110.6V224P170-V224 HydrophobicContact CB-CB 4.43Å; P170-V224 HydrophobicContact CG-CB 4.33Å; P170-V224 WeakPolarHBondContact CG-O 3.39Å; P170-V224 PolarHBondContact O-N 3.35Å
171V97.4Very high88.8Confident2 Ų239.3 Ų39.31%0.01222%0.223CC..EExtended strand (participates in β ladder)trans-134.4158.5179.9-60.70000111.1R192 G193 V195 T208 A210 L221 F222 I233V171-R192 WeakPolarHBondContact O-CA 3.38Å; V171-G193 PolarHBondContact N-O 3.04Å; V171-G193 PolarHBondContact O-N 2.8Å; V171-V195 HydrophobicContact CG1-CG2 3.59Å; V171-T208 VanDerWaalsContact CG2-OG1 3.28Å; V171-T208 WeakPolarHBondContact CG2-OG1 3.17Å; V171-A210 HydrophobicContact CG2-CB 4.39Å; V171-L221 HydrophobicContact CB-CD1 3.94Å; V171-L221 HydrophobicContact CB-CG 4.32Å; V171-L221 HydrophobicContact CG2-CD1 3.87Å; V171-F222 CarbonylContact C-O 3.59Å; V171-F222 WeakPolarHBondContact CA-O 3.31Å; V171-F222 VanDerWaalsContact CB-O 3.31Å; V171-F222 WeakPolarHBondContact CB-O 3.47Å; V171-I233 HydrophobicContact CG1-CD1 4.04Å
172V97.8Very high88.2Confident1 Ų140.1 Ų40.11%0.00623%0.228CC..EExtended strand (participates in β ladder)trans-126.1124.5167.163.80000109.1L3 V6 L190 S191 F222 V224L3-V172 HydrophobicContact CD1-CB 4.12Å; L3-V172 HydrophobicContact CD1-CG1 3.63Å; L3-V172 HydrophobicContact CD1-CG2 4.29Å; V6-V172 HydrophobicContact CG1-CG1 4.44Å; V6-V172 HydrophobicContact CG2-CG1 4.23Å; V172-L190 HydrophobicContact CG2-CB 4.07Å; V172-L190 HydrophobicContact CG2-CD2 4.02Å; V172-L190 HydrophobicContact CG2-CG 4.5Å; V172-S191 CarbonylContact C-O 3.54Å; V172-S191 WeakPolarHBondContact CA-O 3.48Å; V172-F222 HydrophobicContact CG1-CB 3.83Å; V172-F222 HydrophobicContact CG1-CD2 4.5Å; V172-F222 PolarHBondContact N-O 2.86Å; V172-F222 PolarHBondContact O-N 2.99Å; V172-V224 HydrophobicContact CB-CG2 4.35Å; V172-V224 HydrophobicContact CG1-CG2 4.11Å
173A97.6Very high87.8Confident2 Ų240.9 Ų40.92%0.01723%0.232CC..EExtended strand (participates in β ladder)trans-87.3138.2167.800000109L190 S191 A210 C212 L221 I236A173-L190 CarbonylContact O-C 3.56Å; A173-L190 WeakPolarHBondContact O-CA 2.9Å; A173-S191 PolarHBondContact N-O 2.65Å; A173-S191 PolarHBondContact O-N 3.13Å; A173-A210 HydrophobicContact CB-CB 4.03Å; A173-C212 VanDerWaalsContact CB-SG 3.5Å; A173-L221 HydrophobicContact CB-CD1 3.96Å; A173-I236 HydrophobicContact CB-CD1 4.15Å
174C96.8Very high87.4Confident2 Ų241.2 Ų41.21%0.01423%0.234CC..EExtended strand (participates in β ladder)trans-129118.9174.8-171.10000110.1V6 C10 T189 L190 G219 G220 F222V6-C174 HydrophobicContact CG1-CB 3.48Å; V6-C174 VanDerWaalsContact CG1-CB 3.48Å; C10-C174 WeakPolarHBondContact CB-SG 3.44Å; C174-T189 WeakPolarHBondContact CA-O 3.49Å; C174-L190 HydrophobicContact CB-CD2 3.67Å; C174-L190 VanDerWaalsContact SG-CD2 3.54Å; C174-G219 CarbonylContact O-C 3.5Å; C174-G219 VanDerWaalsContact O-CA 3.28Å; C174-G219 WeakPolarHBondContact O-CA 3.48Å; C174-G220 PolarHBondContact N-O 3.32Å; C174-G220 PolarHBondContact O-N 3.35Å; C174-F222 HydrophobicContact CB-CE2 4.04Å
175G94.8Very high87.3Confident2 Ų244.4 Ų44.42%0.02125%0.246CC..EExtended strand (participates in β ladder)trans-157.5171.2-179.900000110.9P177 T189G175-P177 VanDerWaalsContact O-CD 3.31Å; G175-P177 WeakPolarHBondContact O-CD 3.33Å; G175-T189 PolarHBondContact N-O 3.05Å; G175-T189 VanDerWaalsContact N-O 3.1Å; G175-T189 WeakPolarHBondContact O-CA 3.25Å; G175-T189 WeakPolarHBondContact O-CB 3.32Å; G175-T189 PolarHBondContact O-N 3.09Å
176S92.9Very high87.2Confident1 Ų146.9 Ų46.91%0.00726%0.256CS..  trans-116.484.6-175.9-55.90000110.2C10 V12 S27 G179 F186 I187 G188 G215C10-S176 PolarHBondContact SG-OG 3.07Å; V12-S176 WeakPolarHBondContact CG2-OG 3.46Å; S27-S176 PolarHBondContact OG-N 3.29Å; S176-G179 PolarHBondContact O-N 3.26Å; S176-F186 WeakPolarHBondContact CA-O 3.39Å; S176-I187 WeakPolarHBondContact OG-CA 3.23Å; S176-G188 PolarHBondContact OG-N 3Å; S176-G188 VanDerWaalsContact OG-N 3.11Å; S176-G215 CarbonylContact O-C 3.55Å
177P88.3Confident87.1Confident4 Ų442.3 Ų42.33%0.02624%0.235CC..THydrogen-bonded Turntrans-61.7142.6-179.128.7-35.6000110.6G175 G179 F186 T189 L213 P214 T216G175-P177 VanDerWaalsContact O-CD 3.31Å; G175-P177 WeakPolarHBondContact O-CD 3.33Å; P177-G179 PolarHBondContact O-N 3.42Å; P177-F186 WeakPolarHBondContact CD-O 3.07Å; P177-F186 HydrophobicContact CG-CB 4.11Å; P177-F186 HydrophobicContact CG-CD1 4.07Å; P177-F186 HydrophobicContact CG-CG 4.35Å; P177-F186 WeakPolarHBondContact O-CB 3.47Å; P177-F186 WeakPolarHBondContact O-CG 3.48Å; P177-T189 HydrophobicContact CG-CG2 4.47Å; P177-L213 HydrophobicContact CB-CB 3.78Å; P177-L213 HydrophobicContact CB-CD1 4.33Å; P177-P214 CarbonylContact C-O 3.59Å; P177-P214 VanDerWaalsContact CA-O 3.27Å; P177-P214 WeakPolarHBondContact CA-O 3.48Å; P177-T216 HydrophobicContact CB-CG2 4.02Å; P177-T216 HydrophobicContact CG-CG2 4.45Å
178F79.4Confident87Confident85 Ų8539.5 Ų39.537%0.37323%0.225SC..THydrogen-bonded Turntrans50.433.5179.6-42.2-67.9000113.7S180 L181 C182 F186 L213 P214F178-S180 PolarHBondContact O-N 2.68Å; F178-L181 HydrophobicContact CB-CB 4.15Å; F178-L181 WeakPolarHBondContact O-CA 3.38Å; F178-L181 WeakPolarHBondContact O-CB 3.44Å; F178-L181 PolarHBondContact O-N 2.81Å; F178-C182 PolarHBondContact O-N 3.27Å; F178-F186 HydrophobicContact CB-CD2 4.32Å; F178-L213 HydrophobicContact CE2-CD1 4.35Å; F178-P214 HydrophobicContact CE1-CB 4.12Å; F178-P214 HydrophobicContact CE1-CG 4.36Å; F178-P214 PolarHBondContact N-O 3.08Å
179G67.4Low87Confident1 Ų141.3 Ų41.31%0.0123%0.232CC..THydrogen-bonded Turntrans-59.5-17.3-176.800000114.3S176 P177 L183S176-G179 PolarHBondContact O-N 3.26Å; P177-G179 PolarHBondContact O-N 3.42Å; G179-L183 WeakPolarHBondContact O-CD2 3.37Å; G179-L183 WeakPolarHBondContact O-CG 3.46Å
180S70.9Confident87.1Confident81 Ų8143.6 Ų43.657%0.56624%0.241SC*.THydrogen-bonded Turntrans-77.6-24.8169.649.10000114S25 F178S25-S180 VanDerWaalsContact OG-CB 3.25Å; S25-S180 WeakPolarHBondContact OG-CB 3.29Å; S25-S180 PolarHBondContact OG-N 3.22Å; S25-S180 PolarHBondContact OG-OG 2.88Å; F178-S180 PolarHBondContact O-N 2.68Å
181L76.4Confident87.1Confident142 Ų14241.9 Ų41.974%0.74323%0.231SC*.THydrogen-bonded Turntrans-87.1-52.8-174.1-174.869.1000111.6F178F178-L181 HydrophobicContact CB-CB 4.15Å; F178-L181 WeakPolarHBondContact O-CA 3.38Å; F178-L181 WeakPolarHBondContact O-CB 3.44Å; F178-L181 PolarHBondContact O-N 2.81Å
182C77.9Confident87Confident39 Ų3950.7 Ų50.726%0.26426%0.264SS..  trans-150.483-178.1-165.90000112F178 D184 L185 F186F178-C182 PolarHBondContact O-N 3.27Å; C182-D184 PolarHBondContact O-N 3.13Å; C182-L185 PolarHBondContact O-N 3.27Å; C182-L185 VanDerWaalsContact SG-CG 3.57Å; C182-F186 HydrophobicContact CB-CD2 4.05Å; C182-F186 HydrophobicContact CB-CE2 4.06Å; C182-F186 VanDerWaalsContact O-CD2 3.25Å; C182-F186 WeakPolarHBondContact O-CD2 3.1Å; C182-F186 PolarHBondContact O-N 2.96Å
183L79.6Confident87Confident17 Ų1751.3 Ų51.39%0.08927%0.271CS..Hα-helixtrans-55-36.8178.6-73.8168.1000113.2V12 C76 Q88 G179 L185 F186 I187V12-L183 HydrophobicContact CB-CD2 3.59Å; V12-L183 HydrophobicContact CG1-CD2 3.81Å; V12-L183 HydrophobicContact CG2-CD2 3.38Å; C76-L183 HydrophobicContact CB-CD1 4.01Å; C76-L183 HydrophobicContact CB-CD2 4.35Å; Q88-L183 VanDerWaalsContact OE1-CD1 3.26Å; G179-L183 WeakPolarHBondContact O-CD2 3.37Å; G179-L183 WeakPolarHBondContact O-CG 3.46Å; L183-L185 PolarHBondContact O-N 3.18Å; L183-F186 PolarHBondContact O-N 3.11Å; L183-I187 VanDerWaalsContact O-CB 3.32Å; L183-I187 WeakPolarHBondContact O-CB 3.35Å; L183-I187 WeakPolarHBondContact O-CG2 3.25Å; L183-I187 PolarHBondContact O-N 3.31Å; L183-I187 VanDerWaalsContact O-N 3.08Å
184D78.4Confident86.9Confident106 Ų10651.3 Ų51.357%0.56727%0.27SS*.Hα-helixtrans-64.4-29.2-172.7-74-52.4000112.5Q88 C182Q88-D184 PolarHBondContact NE2-OD1 2.99Å; C182-D184 PolarHBondContact O-N 3.13Å
185L83.2Confident86.9Confident133 Ų13351.2 Ų51.270%0.69627%0.27SS*.Hα-helixtrans-95.1-31.1-177-64.4179.4000112.7C182 L183C182-L185 PolarHBondContact O-N 3.27Å; C182-L185 VanDerWaalsContact SG-CG 3.57Å; L183-L185 PolarHBondContact O-N 3.18Å
186F87.2Confident86.9Confident65 Ų6551.1 Ų51.129%0.28527%0.269SS..Hα-helixtrans-111.8-10.2-166-62.5-61.9000115.1S176 P177 F178 C182 L183 G188 T189S176-F186 WeakPolarHBondContact CA-O 3.39Å; P177-F186 WeakPolarHBondContact CD-O 3.07Å; P177-F186 HydrophobicContact CG-CB 4.11Å; P177-F186 HydrophobicContact CG-CD1 4.07Å; P177-F186 HydrophobicContact CG-CG 4.35Å; P177-F186 WeakPolarHBondContact O-CB 3.47Å; P177-F186 WeakPolarHBondContact O-CG 3.48Å; F178-F186 HydrophobicContact CB-CD2 4.32Å; C182-F186 HydrophobicContact CB-CD2 4.05Å; C182-F186 HydrophobicContact CB-CE2 4.06Å; C182-F186 VanDerWaalsContact O-CD2 3.25Å; C182-F186 WeakPolarHBondContact O-CD2 3.1Å; C182-F186 PolarHBondContact O-N 2.96Å; L183-F186 PolarHBondContact O-N 3.11Å; F186-G188 PolarHBondContact O-N 2.74Å; F186-T189 PolarHBondContact O-N 3.42Å; F186-T189 PolarHBondContact O-OG1 2.54Å
187I88.9Confident87Confident28 Ų2851 Ų5114%0.14427%0.268CS..THydrogen-bonded Turntrans-60.1129.8-179.4-165.4163.4000111.7V12 S176 L183 T189V12-I187 HydrophobicContact CG2-CG1 4.41Å; S176-I187 WeakPolarHBondContact OG-CA 3.23Å; L183-I187 VanDerWaalsContact O-CB 3.32Å; L183-I187 WeakPolarHBondContact O-CB 3.35Å; L183-I187 WeakPolarHBondContact O-CG2 3.25Å; L183-I187 PolarHBondContact O-N 3.31Å; L183-I187 VanDerWaalsContact O-N 3.08Å; I187-T189 PolarHBondContact O-N 2.79Å
188G90.3Very high87.2Confident6 Ų651.6 Ų51.66%0.06227%0.271CS..THydrogen-bonded Turntrans68.130.3175.900000114.9S176 F186 L190S176-G188 PolarHBondContact OG-N 3Å; S176-G188 VanDerWaalsContact OG-N 3.11Å; F186-G188 PolarHBondContact O-N 2.74Å; G188-L190 PolarHBondContact O-N 3.38Å
189T92.9Very high87.8Confident59 Ų5947.8 Ų47.836%0.36226%0.255SS..EExtended strand (participates in β ladder)trans-61.7132.1176.1-600000110.8C174 G175 P177 F186 I187C174-T189 WeakPolarHBondContact CA-O 3.49Å; G175-T189 PolarHBondContact N-O 3.05Å; G175-T189 VanDerWaalsContact N-O 3.1Å; G175-T189 WeakPolarHBondContact O-CA 3.25Å; G175-T189 WeakPolarHBondContact O-CB 3.32Å; G175-T189 PolarHBondContact O-N 3.09Å; P177-T189 HydrophobicContact CG-CG2 4.47Å; F186-T189 PolarHBondContact O-N 3.42Å; F186-T189 PolarHBondContact O-OG1 2.54Å; I187-T189 PolarHBondContact O-N 2.79Å
190L95.1Very high88.8Confident78 Ų7849.6 Ų49.641%0.40827%0.274SS..EExtended strand (participates in β ladder)trans-101.7140.2179.9-59.6177.7000111.5V6 V172 A173 C174 G188V6-L190 HydrophobicContact CB-CD2 4.12Å; V6-L190 HydrophobicContact CG1-CD2 3.67Å; V172-L190 HydrophobicContact CG2-CB 4.07Å; V172-L190 HydrophobicContact CG2-CD2 4.02Å; V172-L190 HydrophobicContact CG2-CG 4.5Å; A173-L190 CarbonylContact O-C 3.56Å; A173-L190 WeakPolarHBondContact O-CA 2.9Å; C174-L190 HydrophobicContact CB-CD2 3.67Å; C174-L190 VanDerWaalsContact SG-CD2 3.54Å; G188-L190 PolarHBondContact O-N 3.38Å
191S95.8Very high89.5Confident25 Ų2552 Ų5218%0.17528%0.276CS..EExtended strand (participates in β ladder)trans-136.4126.6174.2-170.10000110.4V172 A173 R211V172-S191 CarbonylContact C-O 3.54Å; V172-S191 WeakPolarHBondContact CA-O 3.48Å; A173-S191 PolarHBondContact N-O 2.65Å; A173-S191 PolarHBondContact O-N 3.13Å; S191-R211 WeakPolarHBondContact CB-O 3.17Å; S191-R211 PolarHBondContact OG-N 3.12Å; S191-R211 PolarHBondContact OG-O 2.8Å
192R96Very high90Very high187 Ų18747.2 Ų47.271%0.70625%0.251SS*.EExtended strand (participates in β ladder)trans-93.1147.1-179.3-75.1-179.8169.5161.7-7.3110.8V171V171-R192 WeakPolarHBondContact O-CA 3.38Å
193G96.7Very high90.7Very high15 Ų1546.9 Ų46.916%0.15525%0.247CC..EExtended strand (participates in β ladder)trans-164.6-156.9174.200000111.1V171 D209V171-G193 PolarHBondContact N-O 3.04Å; V171-G193 PolarHBondContact O-N 2.8Å; G193-D209 WeakPolarHBondContact CA-OD1 3.34Å
194I96.7Very high91.4Very high1 Ų146.1 Ų46.11%0.00524%0.243CC..EExtended strand (participates in β ladder)trans-128.2162.7170.857.2166.8000110.6G168 C169 S196 T208 D209 L407G168-I194 WeakPolarHBondContact O-CG2 3.34Å; C169-I194 CarbonylContact O-C 3.48Å; C169-I194 WeakPolarHBondContact O-CA 3.32Å; I194-S196 PolarHBondContact O-N 2.88Å; I194-S196 VanDerWaalsContact O-N 3.13Å; I194-T208 WeakPolarHBondContact O-CA 3.36Å; I194-T208 VanDerWaalsContact O-CB 3.3Å; I194-T208 WeakPolarHBondContact O-CB 3.47Å; I194-T208 PolarHBondContact O-OG1 2.97Å; I194-D209 PolarHBondContact N-OD1 2.77Å; I194-L407 HydrophobicContact CD1-CB 3.75Å
195V96.3Very high92.2Very high0 Ų041.1 Ų41.10%022%0.216CC..EExtended strand (participates in β ladder)trans-65.5107161177.20000107.7K167 G168 C169 V171 L198 I206 I233K167-V195 CarbonylContact C-O 3.57Å; K167-V195 WeakPolarHBondContact CA-O 3.37Å; G168-V195 PolarHBondContact N-O 3.41Å; C169-V195 HydrophobicContact CB-CB 4.49Å; C169-V195 HydrophobicContact CB-CG2 4.1Å; C169-V195 PolarHBondContact O-N 2.87Å; V171-V195 HydrophobicContact CG1-CG2 3.59Å; V195-L198 HydrophobicContact CG1-CD1 4.14Å; V195-L198 HydrophobicContact CG1-CD2 3.56Å; V195-L198 HydrophobicContact CG1-CG 3.74Å; V195-I206 HydrophobicContact CG1-CG2 4.44Å; V195-I233 HydrophobicContact CG2-CD1 4.4Å
196S94.8Very high92.8Very high0 Ų034.8 Ų34.80%018%0.183CC..EExtended strand (participates in β ladder)trans-82.1-41.3-176-69.10000112.5I194 L207 D209 S406 L407I194-S196 PolarHBondContact O-N 2.88Å; I194-S196 VanDerWaalsContact O-N 3.13Å; S196-L207 WeakPolarHBondContact CA-O 3.46Å; S196-L207 WeakPolarHBondContact CB-O 3.41Å; S196-L207 PolarHBondContact N-O 3.13Å; S196-D209 PolarHBondContact OG-N 3.38Å; S196-D209 VanDerWaalsContact OG-N 3.09Å; S196-S406 WeakPolarHBondContact O-CA 3.4Å; S196-L407 WeakPolarHBondContact CA-O 3.47Å; S196-L407 WeakPolarHBondContact CB-O 3.5Å; S196-L407 PolarHBondContact O-N 3.09Å; S196-L407 PolarHBondContact OG-O 2.84Å
197N93.9Very high93.1Very high0 Ų031.9 Ų31.90%017%0.17CC..EExtended strand (participates in β ladder)trans-158.1163.3176.1-147.8-24.4000110.7K167 L207 L399 C403 G404 S406K167-N197 WeakPolarHBondContact CE-OD1 3.49Å; K167-N197 PolarHBondContact NZ-OD1 3.18Å; N197-L207 HydrophobicContact CB-CB 4.26Å; N197-L207 HydrophobicContact CB-CD1 4.49Å; N197-L207 PolarHBondContact N-O 2.78Å; N197-L207 PolarHBondContact O-N 3.44Å; N197-L399 HydrophobicContact CB-CD1 3.84Å; N197-C403 WeakPolarHBondContact OD1-CB 3.4Å; N197-C403 PolarHBondContact OD1-O 2.77Å; N197-G404 PolarHBondContact ND2-O 2.89Å; N197-S406 PolarHBondContact ND2-OG 3.48Å
198L92.9Very high93.5Very high16 Ų1630.5 Ų30.58%0.08416%0.163CC..EExtended strand (participates in β ladder)trans-137.1141.1-177-61.6167.9000108.1L165 K167 V195 N203 V205 I206L165-L198 HydrophobicContact CB-CD1 3.98Å; L165-L198 HydrophobicContact CB-CD2 4.36Å; L165-L198 HydrophobicContact CD1-CD2 4.31Å; L165-L198 WeakPolarHBondContact O-CD1 3.45Å; K167-L198 HydrophobicContact CG-CD1 4.45Å; V195-L198 HydrophobicContact CG1-CD1 4.14Å; V195-L198 HydrophobicContact CG1-CD2 3.56Å; V195-L198 HydrophobicContact CG1-CG 3.74Å; L198-N203 HydrophobicContact CB-CB 4.17Å; L198-N203 WeakPolarHBondContact CB-OD1 3.41Å; L198-N203 HydrophobicContact CD2-CB 4.08Å; L198-V205 WeakPolarHBondContact CA-O 3.21Å; L198-I206 HydrophobicContact CD2-CB 4.27Å; L198-I206 HydrophobicContact CD2-CG1 3.86Å; L198-I206 HydrophobicContact CD2-CG2 4.07Å
199A91.6Very high93.7Very high5 Ų530.8 Ų30.84%0.04116%0.163CC..EExtended strand (participates in β ladder)trans-145.8152.6-179.100000112.8T107 V111 N203 A204 V205 C403T107-A199 HydrophobicContact CG2-CB 4.08Å; T107-A199 WeakPolarHBondContact CG2-O 3.29Å; V111-A199 HydrophobicContact CG2-CB 3.76Å; A199-N203 CarbonylContact O-C 3.47Å; A199-A204 PolarHBondContact O-N 2.87Å; A199-V205 HydrophobicContact CB-CB 4.12Å; A199-V205 HydrophobicContact CB-CG1 4.36Å; A199-V205 PolarHBondContact N-O 2.9Å; A199-V205 PolarHBondContact O-N 3.44Å; A199-C403 WeakPolarHBondContact CB-SG 3.31Å
200G89.8Confident93.8Very high38 Ų3828 Ų2839%0.39215%0.146SC..SBendtrans79.2165.6-178.700000113.5N203G200-N203 PolarHBondContact O-N 3.04Å; G200-N203 VanDerWaalsContact O-N 3.1Å
201E85.7Confident93.6Very high131 Ų13130.8 Ų30.861%0.61215%0.151SC*.G310 helixtrans-58.6147.1170.5-65.7167.4-141.200110.3K103 N203 A204K103-E201 VanDerWaalsContact CE-OE2 3.29Å; K103-E201 WeakPolarHBondContact CE-OE2 3.28Å; K103-E201 IonicContact NZ-OE1 2.86Å; K103-E201 PolarHBondContact NZ-OE1 2.89Å; K103-E201 VanDerWaalsContact NZ-OE1 3.09Å; K103-E201 IonicContact NZ-OE2 3.55Å; K103-E201 PolarHBondContact NZ-OE2 3.23Å; E201-N203 PolarHBondContact O-N 3.21Å; E201-A204 PolarHBondContact O-N 2.91Å
202D86.3Confident93.4Very high43 Ų4329.9 Ų29.923%0.2315%0.145CC..G310 helixtrans54.717.1-172.9-59-38.7000114.1S162 L163 A204 V258 R261S162-D202 WeakPolarHBondContact CB-O 3.1Å; S162-D202 PolarHBondContact OG-O 2.88Å; L163-D202 WeakPolarHBondContact CD1-OD1 3.28Å; L163-D202 HydrophobicContact CD2-CB 4.39Å; L163-D202 VanDerWaalsContact CD2-OD1 3.32Å; L163-D202 WeakPolarHBondContact CD2-OD1 3.42Å; L163-D202 HydrophobicContact CG-CB 4.34Å; L163-D202 WeakPolarHBondContact CG-OD1 3.31Å; D202-A204 VanDerWaalsContact C-N 3.28Å; D202-A204 PolarHBondContact O-N 2.86Å; D202-V258 HydrophobicContact CB-CG2 4.29Å; D202-R261 IonicContact OD1-NH1 3.97Å; D202-R261 IonicContact OD2-CZ 3.8Å; D202-R261 IonicContact OD2-NH1 2.76Å; D202-R261 PolarHBondContact OD2-NH1 3.04Å
203N92.9Very high93Very high32 Ų3224.7 Ų24.717%0.17113%0.131CC..G310 helixtrans52.946.1-174.2-60.8-39.7000112.1S162 L198 A199 G200 E201 V205S162-N203 PolarHBondContact O-ND2 2.83Å; L198-N203 HydrophobicContact CB-CB 4.17Å; L198-N203 WeakPolarHBondContact CB-OD1 3.41Å; L198-N203 HydrophobicContact CD2-CB 4.08Å; A199-N203 CarbonylContact O-C 3.47Å; G200-N203 PolarHBondContact O-N 3.04Å; G200-N203 VanDerWaalsContact O-N 3.1Å; E201-N203 PolarHBondContact O-N 3.21Å; N203-V205 PolarHBondContact O-N 2.9Å
204A94.3Very high92.6Very high0 Ų026 Ų260%014%0.137CC..  trans-53.9-35.6-178.100000113.2K103 F104 A199 E201 D202 S255 V258K103-A204 HydrophobicContact CG-CB 4.23Å; F104-A204 WeakPolarHBondContact CD2-O 3.34Å; A199-A204 PolarHBondContact O-N 2.87Å; E201-A204 PolarHBondContact O-N 2.91Å; D202-A204 VanDerWaalsContact C-N 3.28Å; D202-A204 PolarHBondContact O-N 2.86Å; A204-S255 PolarHBondContact O-N 3.24Å; A204-V258 HydrophobicContact CB-CG1 4.47Å; A204-V258 HydrophobicContact CB-CG2 4.01Å
205V94.6Very high92.2Very high1 Ų126.6 Ų26.61%0.00614%0.142CC..EExtended strand (participates in β ladder)trans-104.3125.9174.4169.80000109.5F104 T107 F112 L198 A199 N203 L252F104-V205 HydrophobicContact CD2-CG2 3.66Å; F104-V205 HydrophobicContact CE2-CG2 3.69Å; T107-V205 HydrophobicContact CG2-CB 3.95Å; T107-V205 HydrophobicContact CG2-CG2 3.52Å; F112-V205 HydrophobicContact CE2-CG1 4.28Å; L198-V205 WeakPolarHBondContact CA-O 3.21Å; A199-V205 HydrophobicContact CB-CB 4.12Å; A199-V205 HydrophobicContact CB-CG1 4.36Å; A199-V205 PolarHBondContact N-O 2.9Å; A199-V205 PolarHBondContact O-N 3.44Å; N203-V205 PolarHBondContact O-N 2.9Å; V205-L252 HydrophobicContact CG1-CD1 3.73Å
206I95.7Very high92Very high0 Ų027 Ų270%015%0.145CC..EExtended strand (participates in β ladder)trans-116.8131.8175.6-56.8167.2000107.9L165 V195 L198 L221 V253L165-I206 HydrophobicContact CD1-CD1 3.87Å; L165-I206 HydrophobicContact CD1-CG1 4.47Å; V195-I206 HydrophobicContact CG1-CG2 4.44Å; L198-I206 HydrophobicContact CD2-CB 4.27Å; L198-I206 HydrophobicContact CD2-CG1 3.86Å; L198-I206 HydrophobicContact CD2-CG2 4.07Å; I206-L221 HydrophobicContact CG2-CD2 4.03Å; I206-V253 HydrophobicContact CB-CB 4.04Å; I206-V253 HydrophobicContact CB-CG1 4.33Å; I206-V253 HydrophobicContact CD1-CG1 4.48Å; I206-V253 HydrophobicContact CG2-CB 4.47Å; I206-V253 PolarHBondContact N-O 3.36Å; I206-V253 PolarHBondContact O-N 3.3Å
207L94.6Very high92Very high4 Ų428.9 Ų28.92%0.02115%0.154CC..EExtended strand (participates in β ladder)trans-108.9139.1167.4-66.4-167.9000110.2F112 S196 N197 L250 T251 L252 L399F112-L207 HydrophobicContact CZ-CD2 4.32Å; S196-L207 WeakPolarHBondContact CA-O 3.46Å; S196-L207 WeakPolarHBondContact CB-O 3.41Å; S196-L207 PolarHBondContact N-O 3.13Å; N197-L207 HydrophobicContact CB-CB 4.26Å; N197-L207 HydrophobicContact CB-CD1 4.49Å; N197-L207 PolarHBondContact N-O 2.78Å; N197-L207 PolarHBondContact O-N 3.44Å; L207-L250 HydrophobicContact CB-CD1 4.38Å; L207-L250 HydrophobicContact CD1-CD1 3.7Å; L207-T251 WeakPolarHBondContact CA-O 3.43Å; L207-L252 HydrophobicContact CD2-CB 4.38Å; L207-L252 HydrophobicContact CD2-CD1 3.81Å; L207-L399 HydrophobicContact CD1-CD1 3.4Å; L207-L399 HydrophobicContact CD1-CD2 3.66Å; L207-L399 HydrophobicContact CD1-CG 3.42Å; L207-L399 VanDerWaalsContact CD1-CG 3.42Å; L207-L399 HydrophobicContact CG-CD1 3.99Å; L207-L399 HydrophobicContact CG-CG 4.5Å
208T96.1Very high92Very high0 Ų028.9 Ų28.90%015%0.154CC..EExtended strand (participates in β ladder)trans-135.8149.2175.2-1780000110.9V171 I194 A210 L221 L250 T251 V253V171-T208 VanDerWaalsContact CG2-OG1 3.28Å; V171-T208 WeakPolarHBondContact CG2-OG1 3.17Å; I194-T208 WeakPolarHBondContact O-CA 3.36Å; I194-T208 VanDerWaalsContact O-CB 3.3Å; I194-T208 WeakPolarHBondContact O-CB 3.47Å; I194-T208 PolarHBondContact O-OG1 2.97Å; T208-A210 VanDerWaalsContact C-N 3.28Å; T208-A210 HydrophobicContact CG2-CB 3.96Å; T208-A210 WeakPolarHBondContact OG1-CB 3.47Å; T208-A210 PolarHBondContact OG1-N 2.8Å; T208-A210 VanDerWaalsContact OG1-N 3.1Å; T208-L221 HydrophobicContact CG2-CD1 4.06Å; T208-L221 HydrophobicContact CG2-CD2 4.23Å; T208-L250 CarbonylContact O-C 3.58Å; T208-L250 WeakPolarHBondContact O-CA 3.09Å; T208-T251 HydrophobicContact CG2-CG2 4.29Å; T208-T251 PolarHBondContact N-O 2.95Å; T208-T251 VanDerWaalsContact N-O 3.16Å; T208-T251 PolarHBondContact O-N 3.12Å; T208-V253 HydrophobicContact CG2-CG2 4.23Å
209D95.3Very high92.2Very high12 Ų1228.1 Ų28.16%0.06415%0.15CC..  trans-86.93.5169.566.7-6.7000113.1G193 I194 S196 R211 L250 T408 S409G193-D209 WeakPolarHBondContact CA-OD1 3.34Å; I194-D209 PolarHBondContact N-OD1 2.77Å; S196-D209 PolarHBondContact OG-N 3.38Å; S196-D209 VanDerWaalsContact OG-N 3.09Å; D209-R211 PolarHBondContact O-N 3.21Å; D209-R211 VanDerWaalsContact O-N 3.09Å; D209-L250 HydrophobicContact CB-CD2 4.08Å; D209-T408 HydrophobicContact CB-CG2 4.31Å; D209-S409 PolarHBondContact OD2-N 2.69Å
210A95.5Very high92.5Very high0 Ų028 Ų280%015%0.149CC..SBendtrans-59.6114.9170.200000109V171 A173 T208 C212 T251V171-A210 HydrophobicContact CG2-CB 4.39Å; A173-A210 HydrophobicContact CB-CB 4.03Å; T208-A210 VanDerWaalsContact C-N 3.28Å; T208-A210 HydrophobicContact CG2-CB 3.96Å; T208-A210 WeakPolarHBondContact OG1-CB 3.47Å; T208-A210 PolarHBondContact OG1-N 2.8Å; T208-A210 VanDerWaalsContact OG1-N 3.1Å; A210-C212 PolarHBondContact O-N 3.04Å; A210-C212 PolarHBondContact O-SG 3.23Å; A210-T251 PolarHBondContact O-OG1 2.94Å
211R90.6Very high92.9Very high136 Ų13626.1 Ų26.151%0.51313%0.13SC..  trans-68.8107-173.7-66.7-177.8179.7171.20.4110.7S191 D209 H467S191-R211 WeakPolarHBondContact CB-O 3.17Å; S191-R211 PolarHBondContact OG-N 3.12Å; S191-R211 PolarHBondContact OG-O 2.8Å; D209-R211 PolarHBondContact O-N 3.21Å; D209-R211 VanDerWaalsContact O-N 3.09Å; R211-H467 PolarHBondContact NH2-ND1 3.15Å
212C90.9Very high93.5Very high6 Ų620 Ų204%0.04110%0.101CC..  trans-103.1153.8172.7-60.70000110A173 A210 T216 P239 T251A173-C212 VanDerWaalsContact CB-SG 3.5Å; A210-C212 PolarHBondContact O-N 3.04Å; A210-C212 PolarHBondContact O-SG 3.23Å; C212-T216 WeakPolarHBondContact CB-OG1 3.4Å; C212-P239 HydrophobicContact CB-CB 3.7Å; C212-T251 HydrophobicContact CB-CG2 3.93Å; C212-T251 WeakPolarHBondContact CB-OG1 3.42Å
213L88.8Confident94Very high79 Ų7918.4 Ų18.441%0.4149%0.093SC..  trans-124.4164.8-176.3-64.8176.6000110.3P177 F178 G215 T216 F240P177-L213 HydrophobicContact CB-CB 3.78Å; P177-L213 HydrophobicContact CB-CD1 4.33Å; F178-L213 HydrophobicContact CE2-CD1 4.35Å; L213-G215 PolarHBondContact O-N 2.8Å; L213-T216 PolarHBondContact N-OG1 3.27Å; L213-T216 VanDerWaalsContact O-CB 3.31Å; L213-T216 WeakPolarHBondContact O-CB 3.29Å; L213-T216 VanDerWaalsContact O-CG2 3.25Å; L213-T216 WeakPolarHBondContact O-CG2 3.37Å; L213-T216 PolarHBondContact O-N 2.9Å; L213-T216 VanDerWaalsContact O-N 3.09Å; L213-T216 PolarHBondContact O-OG1 2.79Å; L213-F240 HydrophobicContact CD2-CE1 4.43Å; L213-F240 HydrophobicContact CD2-CZ 4.22Å
214P87.1Confident94Very high43 Ų4317.8 Ų17.828%0.2799%0.091SC..THydrogen-bonded Turntrans-55.5136.2178.2-27.938.7000112.4P177 F178 F240P177-P214 CarbonylContact C-O 3.59Å; P177-P214 VanDerWaalsContact CA-O 3.27Å; P177-P214 WeakPolarHBondContact CA-O 3.48Å; F178-P214 HydrophobicContact CE1-CB 4.12Å; F178-P214 HydrophobicContact CE1-CG 4.36Å; F178-P214 PolarHBondContact N-O 3.08Å; P214-F240 VanDerWaalsContact CD-CE2 3.42Å; P214-F240 HydrophobicContact CG-CD2 4.26Å; P214-F240 HydrophobicContact CG-CE2 3.36Å; P214-F240 HydrophobicContact CG-CZ 4.01Å
215G87.9Confident93.7Very high12 Ų1219.9 Ų19.912%0.12410%0.1CC..THydrogen-bonded Turntrans96-13.3-173.600000113.7S27 S176 L213 E217S27-G215 PolarHBondContact N-O 2.86Å; S27-G215 VanDerWaalsContact N-O 3.09Å; S27-G215 PolarHBondContact OG-O 3.23Å; S176-G215 CarbonylContact O-C 3.55Å; L213-G215 PolarHBondContact O-N 2.8Å; G215-E217 VanDerWaalsContact C-N 3.28Å; G215-E217 WeakPolarHBondContact CA-OE2 3.49Å; G215-E217 PolarHBondContact N-OE2 2.84Å; G215-E217 PolarHBondContact O-N 3.41Å
216T93.3Very high93.1Very high8 Ų825.7 Ų25.75%0.04914%0.138CC..  trans-78.7-8.2175.461.10000113.8S27 P177 C212 L213 G218 G219S27-T216 WeakPolarHBondContact OG-CA 3.46Å; P177-T216 HydrophobicContact CB-CG2 4.02Å; P177-T216 HydrophobicContact CG-CG2 4.45Å; C212-T216 WeakPolarHBondContact CB-OG1 3.4Å; L213-T216 PolarHBondContact N-OG1 3.27Å; L213-T216 VanDerWaalsContact O-CB 3.31Å; L213-T216 WeakPolarHBondContact O-CB 3.29Å; L213-T216 VanDerWaalsContact O-CG2 3.25Å; L213-T216 WeakPolarHBondContact O-CG2 3.37Å; L213-T216 PolarHBondContact O-N 2.9Å; L213-T216 VanDerWaalsContact O-N 3.09Å; L213-T216 PolarHBondContact O-OG1 2.79Å; T216-G218 PolarHBondContact O-N 2.81Å; T216-G219 WeakPolarHBondContact O-CA 3.19Å; T216-G219 PolarHBondContact O-N 2.93Å
217E93.3Very high92.6Very high40 Ų4030.5 Ų30.519%0.18717%0.168CC..THydrogen-bonded Turntrans-54.5132.1174.5-59.883.3171.300110.3C26 S27 T41 G215 G219 P239C26-E217 WeakPolarHBondContact CB-O 3.33Å; S27-E217 CarbonylContact C-O 3.56Å; S27-E217 WeakPolarHBondContact CA-O 3.41Å; S27-E217 WeakPolarHBondContact CB-O 3.31Å; S27-E217 PolarHBondContact N-O 2.8Å; S27-E217 VanDerWaalsContact O-O 3.12Å; T41-E217 HydrophobicContact CG2-CB 3.85Å; G215-E217 VanDerWaalsContact C-N 3.28Å; G215-E217 WeakPolarHBondContact CA-OE2 3.49Å; G215-E217 PolarHBondContact N-OE2 2.84Å; G215-E217 PolarHBondContact O-N 3.41Å; E217-G219 VanDerWaalsContact C-N 3.3Å; E217-P239 WeakPolarHBondContact OE1-CD 3.31Å; E217-P239 WeakPolarHBondContact OE1-CG 3.41Å
218G95.6Very high92Very high0 Ų034.8 Ų34.80%019%0.19CC..THydrogen-bonded Turntrans85.7-8.1-172.600000115S27 G28 V29 T216 I236S27-G218 CarbonylContact O-C 3.57Å; S27-G218 WeakPolarHBondContact O-CA 3.43Å; G28-G218 CarbonylContact C-O 3.54Å; G28-G218 WeakPolarHBondContact CA-O 3.23Å; V29-G218 PolarHBondContact N-O 2.91Å; T216-G218 PolarHBondContact O-N 2.81Å; G218-I236 PolarHBondContact N-O 3.4Å
219G96.6Very high91.7Very high0 Ų035.8 Ų35.80%020%0.198CC..  trans-68.8165.3171.100000112.7C174 T216 E217 V235 I236C174-G219 CarbonylContact O-C 3.5Å; C174-G219 VanDerWaalsContact O-CA 3.28Å; C174-G219 WeakPolarHBondContact O-CA 3.48Å; T216-G219 WeakPolarHBondContact O-CA 3.19Å; T216-G219 PolarHBondContact O-N 2.93Å; E217-G219 VanDerWaalsContact C-N 3.3Å; G219-V235 CarbonylContact O-C 3.54Å; G219-V235 WeakPolarHBondContact O-CA 3.39Å; G219-I236 PolarHBondContact O-N 3.06Å
220G97.6Very high91.6Very high2 Ų235.2 Ų35.22%0.02120%0.195CC..EExtended strand (participates in β ladder)trans-92.1142.3-17700000113.1C174C174-G220 PolarHBondContact N-O 3.32Å; C174-G220 PolarHBondContact O-N 3.35Å
221L98.2Very high91.5Very high0 Ų037.9 Ų37.90%021%0.205CC..EExtended strand (participates in β ladder)trans-104.3127.8163.6-17472.1000109V171 A173 I206 T208 I233 G234 V253V171-L221 HydrophobicContact CB-CD1 3.94Å; V171-L221 HydrophobicContact CB-CG 4.32Å; V171-L221 HydrophobicContact CG2-CD1 3.87Å; A173-L221 HydrophobicContact CB-CD1 3.96Å; I206-L221 HydrophobicContact CG2-CD2 4.03Å; T208-L221 HydrophobicContact CG2-CD1 4.06Å; T208-L221 HydrophobicContact CG2-CD2 4.23Å; L221-I233 HydrophobicContact CB-CG1 4.32Å; L221-I233 HydrophobicContact CD2-CD1 3.74Å; L221-I233 HydrophobicContact CD2-CG1 4.11Å; L221-I233 HydrophobicContact CG-CD1 4.08Å; L221-I233 HydrophobicContact CG-CG1 4.08Å; L221-I233 WeakPolarHBondContact O-CG1 3.38Å; L221-I233 PolarHBondContact O-N 3.03Å; L221-G234 PolarHBondContact N-O 2.85Å; L221-G234 PolarHBondContact O-N 3.04Å; L221-V253 HydrophobicContact CB-CG1 3.95Å; L221-V253 HydrophobicContact CB-CG2 4.39Å; L221-V253 HydrophobicContact CD2-CB 4.27Å; L221-V253 HydrophobicContact CD2-CG1 3.96Å; L221-V253 HydrophobicContact CD2-CG2 4Å
222F97.6Very high91.8Very high2 Ų231.5 Ų31.51%0.00918%0.18CC..EExtended strand (participates in β ladder)trans-120.3132.8-177.1-55.5-102.1000110.3M1 V6 C9 V29 T157 V171 V172 C174 V230 R231 L232M1-F222 HydrophobicContact CE-CD1 4.25Å; M1-F222 HydrophobicContact CE-CE1 3.98Å; V6-F222 HydrophobicContact CG1-CD2 3.71Å; V6-F222 HydrophobicContact CG1-CE2 3.65Å; V6-F222 HydrophobicContact CG1-CG 4.32Å; V6-F222 HydrophobicContact CG1-CZ 4.19Å; C9-F222 HydrophobicContact CB-CZ 4.1Å; V29-F222 HydrophobicContact CG2-CZ 4.16Å; T157-F222 HydrophobicContact CG2-CE1 4.06Å; V171-F222 CarbonylContact C-O 3.59Å; V171-F222 WeakPolarHBondContact CA-O 3.31Å; V171-F222 VanDerWaalsContact CB-O 3.31Å; V171-F222 WeakPolarHBondContact CB-O 3.47Å; V172-F222 HydrophobicContact CG1-CB 3.83Å; V172-F222 HydrophobicContact CG1-CD2 4.5Å; V172-F222 PolarHBondContact N-O 2.86Å; V172-F222 PolarHBondContact O-N 2.99Å; C174-F222 HydrophobicContact CB-CE2 4.04Å; F222-V230 HydrophobicContact CB-CB 4.23Å; F222-R231 CarbonylContact C-O 3.49Å; F222-R231 WeakPolarHBondContact CA-O 3.49Å; F222-L232 HydrophobicContact CD1-CB 3.96Å; F222-L232 HydrophobicContact CD1-CD1 4.27Å; F222-L232 HydrophobicContact CE1-CB 3.83Å; F222-L232 HydrophobicContact CE1-CD1 3.88Å; F222-L232 HydrophobicContact CE1-CG 4.42Å; F222-L232 HydrophobicContact CE2-CD1 4.26Å; F222-L232 HydrophobicContact CZ-CD1 3.87Å
223V96.7Very high92.1Very high9 Ų931.2 Ų31.26%0.05518%0.179CC..EExtended strand (participates in β ladder)trans-75.6142.7167.167.50000109.3L165 C169 V230 R231 I233L165-V223 HydrophobicContact CD2-CB 4.4Å; L165-V223 HydrophobicContact CD2-CG2 4.38Å; C169-V223 HydrophobicContact CB-CG2 4.19Å; V223-V230 WeakPolarHBondContact O-CA 3.32Å; V223-R231 HydrophobicContact CG1-CB 4.09Å; V223-R231 PolarHBondContact N-O 3.22Å; V223-R231 PolarHBondContact O-N 3.38Å; V223-R231 VanDerWaalsContact O-N 3.16Å; V223-I233 HydrophobicContact CB-CD1 4.28Å; V223-I233 HydrophobicContact CB-CG2 3.95Å; V223-I233 HydrophobicContact CG1-CG2 3.68Å
224V93.9Very high92.5Very high20 Ų2027.4 Ų27.412%0.12116%0.159CC..EExtended strand (participates in β ladder)trans-106.1118.1176.9-1720000108.3L3 P170 V172 V230L3-V224 HydrophobicContact CD1-CG2 4.5Å; P170-V224 HydrophobicContact CB-CB 4.43Å; P170-V224 HydrophobicContact CG-CB 4.33Å; P170-V224 WeakPolarHBondContact CG-O 3.39Å; P170-V224 PolarHBondContact O-N 3.35Å; V172-V224 HydrophobicContact CB-CG2 4.35Å; V172-V224 HydrophobicContact CG1-CG2 4.11Å; V224-V230 HydrophobicContact CB-CG1 4.45Å; V224-V230 HydrophobicContact CG1-CG1 4.37Å; V224-V230 HydrophobicContact CG2-CG1 4.07Å
225E88.9Confident93.1Very high44 Ų4425.4 Ų25.421%0.20615%0.146CC..  trans-80.9161175.6-66.2177.7157.800110.6T227 D228 S229 R231E225-T227 PolarHBondContact O-N 3.42Å; E225-D228 PolarHBondContact O-N 3.3Å; E225-S229 WeakPolarHBondContact CB-O 3.31Å; E225-S229 WeakPolarHBondContact CB-OG 3.37Å; E225-S229 PolarHBondContact N-O 3.1Å; E225-S229 WeakPolarHBondContact OE2-CB 3.47Å; E225-S229 PolarHBondContact OE2-OG 3.28Å; E225-R231 IonicContact OE1-CZ 3.43Å; E225-R231 IonicContact OE1-NE 3.48Å; E225-R231 PolarHBondContact OE1-NE 3.28Å; E225-R231 IonicContact OE1-NH2 2.74Å; E225-R231 PolarHBondContact OE1-NH2 3.23Å; E225-R231 IonicContact OE2-NE 3.42Å; E225-R231 IonicContact OE2-NH2 3.59Å
226P81.7Confident93.5Very high122 Ų12224.9 Ų24.979%0.79214%0.14SC*.THydrogen-bonded Turntrans-57.7-22.6178.2-26.135.6000114.8D228P226-D228 PolarHBondContact O-N 2.99Å
227T83.9Confident93.6Very high102 Ų10224.7 Ų24.763%0.62614%0.139SC*.THydrogen-bonded Turntrans-82.2817639.40000113.5E225 S229E225-T227 PolarHBondContact O-N 3.42Å; T227-S229 PolarHBondContact O-N 3.46Å; T227-S229 VanDerWaalsContact O-N 3.07Å; T227-S229 PolarHBondContact OG1-OG 3.43Å
228D82Confident93.4Very high93 Ų9322.9 Ų22.950%0.49713%0.131SC..SBendtrans59.59.5-171-78.8-28.2000114.7L3 E225 P226L3-D228 PolarHBondContact N-O 2.84Å; E225-D228 PolarHBondContact O-N 3.3Å; P226-D228 PolarHBondContact O-N 2.99Å
229S89.6Confident92.9Very high22 Ų2223 Ų2315%0.15413%0.132CC..BIsolated β-bridgetrans-71.2143.9165.7420000110.2M1 E225 T227M1-S229 CarbonylContact O-C 3.53Å; M1-S229 VanDerWaalsContact O-CA 3.24Å; M1-S229 WeakPolarHBondContact O-CA 3.49Å; E225-S229 WeakPolarHBondContact CB-O 3.31Å; E225-S229 WeakPolarHBondContact CB-OG 3.37Å; E225-S229 PolarHBondContact N-O 3.1Å; E225-S229 WeakPolarHBondContact OE2-CB 3.47Å; E225-S229 PolarHBondContact OE2-OG 3.28Å; T227-S229 PolarHBondContact O-N 3.46Å; T227-S229 VanDerWaalsContact O-N 3.07Å; T227-S229 PolarHBondContact OG1-OG 3.43Å
230V93.3Very high91.9Very high0 Ų024.8 Ų24.80%014%0.139CC..EExtended strand (participates in β ladder)trans-124.7146.3-178.7-60.30000111.2M1 L3 V6 F222 V223 V224M1-V230 HydrophobicContact CB-CG2 4.09Å; M1-V230 HydrophobicContact CE-CG2 3.57Å; M1-V230 HydrophobicContact CG-CG2 4.25Å; M1-V230 PolarHBondContact N-O 3.47Å; M1-V230 WeakPolarHBondContact O-CG2 3.4Å; M1-V230 PolarHBondContact O-N 3.44Å; L3-V230 HydrophobicContact CB-CG1 4.07Å; L3-V230 HydrophobicContact CD1-CG1 3.92Å; V6-V230 HydrophobicContact CG2-CB 4.31Å; V6-V230 HydrophobicContact CG2-CG1 4.33Å; V6-V230 HydrophobicContact CG2-CG2 3.58Å; F222-V230 HydrophobicContact CB-CB 4.23Å; V223-V230 WeakPolarHBondContact O-CA 3.32Å; V224-V230 HydrophobicContact CB-CG1 4.45Å; V224-V230 HydrophobicContact CG1-CG1 4.37Å; V224-V230 HydrophobicContact CG2-CG1 4.07Å
231R95Very high90.7Very high56 Ų5624.7 Ų24.721%0.21114%0.139CC..EExtended strand (participates in β ladder)trans-134.1136.5176.1-55.7-174.1-166-154.38.9110.1P158 Q160 F222 V223 E225 I233P158-R231 CarbonylContact O-C 3.44Å; P158-R231 WeakPolarHBondContact O-CA 3.31Å; Q160-R231 HydrophobicContact CB-CB 3.99Å; F222-R231 CarbonylContact C-O 3.49Å; F222-R231 WeakPolarHBondContact CA-O 3.49Å; V223-R231 HydrophobicContact CG1-CB 4.09Å; V223-R231 PolarHBondContact N-O 3.22Å; V223-R231 PolarHBondContact O-N 3.38Å; V223-R231 VanDerWaalsContact O-N 3.16Å; E225-R231 IonicContact OE1-CZ 3.43Å; E225-R231 IonicContact OE1-NE 3.48Å; E225-R231 PolarHBondContact OE1-NE 3.28Å; E225-R231 IonicContact OE1-NH2 2.74Å; E225-R231 PolarHBondContact OE1-NH2 3.23Å; E225-R231 IonicContact OE2-NE 3.42Å; E225-R231 IonicContact OE2-NH2 3.59Å; R231-I233 PolarHBondContact O-N 3.34Å
232L96.7Very high89.5Confident1 Ų128.8 Ų28.81%0.00515%0.154CC..EExtended strand (participates in β ladder)trans-65.5129.2174.8-179.566.5000109.8V29 V31 T157 P158 W159 Q160 F222 G234 V256V29-L232 HydrophobicContact CG1-CD2 4.5Å; V29-L232 HydrophobicContact CG2-CD1 4.17Å; V29-L232 HydrophobicContact CG2-CD2 4.12Å; V31-L232 HydrophobicContact CG1-CD2 4.07Å; T157-L232 HydrophobicContact CG2-CB 4.38Å; P158-L232 PolarHBondContact O-N 3.02Å; W159-L232 CarbonylContact C-O 3.27Å; W159-L232 WeakPolarHBondContact CA-O 3.39Å; W159-L232 HydrophobicContact CB-CB 3.96Å; W159-L232 VanDerWaalsContact CB-O 3.3Å; W159-L232 WeakPolarHBondContact CB-O 3.36Å; Q160-L232 PolarHBondContact N-O 3.36Å; F222-L232 HydrophobicContact CD1-CB 3.96Å; F222-L232 HydrophobicContact CD1-CD1 4.27Å; F222-L232 HydrophobicContact CE1-CB 3.83Å; F222-L232 HydrophobicContact CE1-CD1 3.88Å; F222-L232 HydrophobicContact CE1-CG 4.42Å; F222-L232 HydrophobicContact CE2-CD1 4.26Å; F222-L232 HydrophobicContact CZ-CD1 3.87Å; L232-G234 WeakPolarHBondContact CD1-O 3.13Å; L232-V256 HydrophobicContact CD2-CG2 3.89Å; L232-V256 HydrophobicContact CG-CB 4.4Å; L232-V256 HydrophobicContact CG-CG1 4.27Å; L232-V256 HydrophobicContact CG-CG2 4.28Å
233I97.1Very high88.3Confident0 Ų030.9 Ų30.90%016%0.163CC..EExtended strand (participates in β ladder)trans-123.1-17.6-179.258.2161.5000112.7Q160 L165 V171 V195 L221 V223 R231 V256Q160-I233 HydrophobicContact CB-CG2 4.26Å; L165-I233 HydrophobicContact CD1-CB 4.17Å; L165-I233 HydrophobicContact CD1-CD1 3.88Å; L165-I233 HydrophobicContact CD1-CG2 4.48Å; L165-I233 HydrophobicContact CD2-CD1 4.03Å; L165-I233 HydrophobicContact CD2-CG2 4.05Å; V171-I233 HydrophobicContact CG1-CD1 4.04Å; V195-I233 HydrophobicContact CG2-CD1 4.4Å; L221-I233 HydrophobicContact CB-CG1 4.32Å; L221-I233 HydrophobicContact CD2-CD1 3.74Å; L221-I233 HydrophobicContact CD2-CG1 4.11Å; L221-I233 HydrophobicContact CG-CD1 4.08Å; L221-I233 HydrophobicContact CG-CG1 4.08Å; L221-I233 WeakPolarHBondContact O-CG1 3.38Å; L221-I233 PolarHBondContact O-N 3.03Å; V223-I233 HydrophobicContact CB-CD1 4.28Å; V223-I233 HydrophobicContact CB-CG2 3.95Å; V223-I233 HydrophobicContact CG1-CG2 3.68Å; R231-I233 PolarHBondContact O-N 3.34Å; I233-V256 PolarHBondContact O-N 3.03Å
234G97.5Very high87Confident0 Ų033.3 Ų33.30%018%0.181CC..EExtended strand (participates in β ladder)trans-170.5172.6179.600000114.9L221 L232 C254L221-G234 PolarHBondContact N-O 2.85Å; L221-G234 PolarHBondContact O-N 3.04Å; L232-G234 WeakPolarHBondContact CD1-O 3.13Å; G234-C254 CarbonylContact C-O 3.26Å; G234-C254 WeakPolarHBondContact CA-O 3.4Å
235V98.1Very high85.8Confident0 Ų037.4 Ų37.40%020%0.202CC..EExtended strand (participates in β ladder)trans-113.6131.4175.7178.70000109.1V29 L39 F139 G219 V237 V253 C254 I259V29-V235 HydrophobicContact CG1-CG2 4.2Å; L39-V235 HydrophobicContact CD2-CG2 3.5Å; L39-V235 VanDerWaalsContact CD2-CG2 3.5Å; L39-V235 HydrophobicContact CG-CG2 4.06Å; F139-V235 HydrophobicContact CD1-CB 4.48Å; F139-V235 HydrophobicContact CD1-CG1 4.22Å; F139-V235 HydrophobicContact CE1-CB 4.13Å; F139-V235 HydrophobicContact CE1-CG1 4.04Å; G219-V235 CarbonylContact O-C 3.54Å; G219-V235 WeakPolarHBondContact O-CA 3.39Å; V235-V237 PolarHBondContact O-N 3.05Å; V235-V253 WeakPolarHBondContact O-CA 3.34Å; V235-V253 WeakPolarHBondContact O-CG1 3.23Å; V235-C254 PolarHBondContact N-O 3.28Å; V235-C254 PolarHBondContact O-N 3.47Å; V235-I259 HydrophobicContact CB-CD1 4.04Å; V235-I259 HydrophobicContact CG2-CD1 3.84Å
236I97.2Very high84.9Confident1 Ų137.8 Ų37.81%0.00520%0.204CC..EExtended strand (participates in β ladder)trans-64.2118.6178.2-60.4165.6000108.7A173 G218 G219 T251 V253A173-I236 HydrophobicContact CB-CD1 4.15Å; G218-I236 PolarHBondContact N-O 3.4Å; G219-I236 PolarHBondContact O-N 3.06Å; I236-T251 HydrophobicContact CG2-CG2 3.93Å; I236-V253 HydrophobicContact CG1-CG2 4.43Å
237V94.3Very high84.7Confident4 Ų435.3 Ų35.32%0.02418%0.179CC..EExtended strand (participates in β ladder)trans-95.1-46.6179.4174.40000110.4F104 L136 F139 V235 L252 C254F104-V237 HydrophobicContact CE1-CG1 4.32Å; F104-V237 HydrophobicContact CE1-CG2 4.42Å; F104-V237 HydrophobicContact CE2-CG2 4.28Å; F104-V237 HydrophobicContact CZ-CB 4.28Å; F104-V237 HydrophobicContact CZ-CG1 4.03Å; F104-V237 HydrophobicContact CZ-CG2 3.87Å; L136-V237 HydrophobicContact CB-CG1 3.83Å; L136-V237 HydrophobicContact CD1-CG1 4.47Å; L136-V237 HydrophobicContact CD2-CG1 3.99Å; L136-V237 HydrophobicContact CG-CG1 4.31Å; F139-V237 HydrophobicContact CE1-CG2 4.08Å; F139-V237 HydrophobicContact CZ-CG2 3.85Å; V235-V237 PolarHBondContact O-N 3.05Å; V237-L252 HydrophobicContact CB-CD2 4.27Å; V237-L252 HydrophobicContact CB-CG 4.23Å; V237-L252 HydrophobicContact CG1-CD2 4.03Å; V237-L252 PolarHBondContact N-O 2.85Å; V237-C254 HydrophobicContact CG2-CB 3.57Å
238S91.1Very high84.4Confident3 Ų331 Ų312%0.02115%0.152CC..EExtended strand (participates in β ladder)trans-144.4125.3176.1178.70000111.1F120 F240 T251 L252F120-S238 PolarHBondContact O-OG 3.1Å; S238-F240 PolarHBondContact O-N 3.47Å; S238-F240 PolarHBondContact OG-N 3.45Å; S238-F240 PolarHBondContact OG-O 3.28Å; S238-T251 WeakPolarHBondContact O-CG2 3.23Å; S238-L252 PolarHBondContact N-O 3.42Å; S238-L252 PolarHBondContact O-N 3.39Å
239P84.2Confident84.5Confident3 Ų326.8 Ų26.82%0.01913%0.13CC..SBendtrans-67.2-26.7178.927-34.1000112.6C212 E217 T251C212-P239 HydrophobicContact CB-CB 3.7Å; E217-P239 WeakPolarHBondContact OE1-CD 3.31Å; E217-P239 WeakPolarHBondContact OE1-CG 3.41Å; P239-T251 PolarHBondContact O-OG1 3.36Å
240F76.3Confident84.6Confident36 Ų3625.8 Ų25.816%0.15812%0.122CC..  trans-124.8121.5-175.3-56.5-51.6000111.5F120 L213 P214 S238 W247F120-F240 WeakPolarHBondContact CA-O 3.08Å; L213-F240 HydrophobicContact CD2-CE1 4.43Å; L213-F240 HydrophobicContact CD2-CZ 4.22Å; P214-F240 VanDerWaalsContact CD-CE2 3.42Å; P214-F240 HydrophobicContact CG-CD2 4.26Å; P214-F240 HydrophobicContact CG-CE2 3.36Å; P214-F240 HydrophobicContact CG-CZ 4.01Å; S238-F240 PolarHBondContact O-N 3.47Å; S238-F240 PolarHBondContact OG-N 3.45Å; S238-F240 PolarHBondContact OG-O 3.28Å; F240-W247 AromaticContact CD1-NE1 3.54Å
241G72.4Confident84.6Confident1 Ų126 Ų261%0.0112%0.124CC..  trans-95.5130.2155.900000110.7I248 L250G241-I248 VanDerWaalsContact O-CG1 3.26Å; G241-I248 WeakPolarHBondContact O-CG1 3.46Å; G241-I248 PolarHBondContact O-N 3.48Å; G241-L250 PolarHBondContact N-O 2.96Å
242W72.3Confident84.5Confident86 Ų8623.3 Ų23.333%0.32611%0.114SC..EExtended strand (participates in β ladder)trans-114.9140.9170.2-61.480.2000108.9W118 R119 N245 E246 W247W118-W242 CarbonylContact C-O 3.5Å; W118-W242 WeakPolarHBondContact CA-O 3.45Å; W118-W242 VanDerWaalsContact CE3-O 3.31Å; R119-W242 HydrophobicContact CB-CB 4.12Å; R119-W242 PolarHBondContact N-O 3.46Å; R119-W242 WeakPolarHBondContact O-CB 3.29Å; R119-W242 PolarHBondContact O-N 2.79Å; W242-N245 WeakPolarHBondContact CZ3-O 3.37Å; W242-E246 CarbonylContact C-O 3.48Å; W242-E246 VanDerWaalsContact CA-O 3.23Å; W242-E246 WeakPolarHBondContact CA-O 3.33Å; W242-E246 VanDerWaalsContact CE3-C 3.47Å; W242-W247 HydrophobicContact CD2-CB 4.12Å; W242-W247 HydrophobicContact CE3-CB 3.9Å; W242-W247 HydrophobicContact CH2-CB 3.93Å; W242-W247 HydrophobicContact CZ2-CB 4.16Å; W242-W247 HydrophobicContact CZ3-CB 3.8Å
243K72.6Confident84.5Confident45 Ų4523.3 Ų23.320%0.19611%0.114CC..EExtended strand (participates in β ladder)trans-128.6124171.1-171.1178.8-176.8158.50108.5D116 W118 N245 E246 I248D116-K243 WeakPolarHBondContact O-CE 3.37Å; D116-K243 WeakPolarHBondContact O-CG 3.27Å; W118-K243 HydrophobicContact CD2-CB 4.3Å; W118-K243 HydrophobicContact CD2-CG 4.29Å; W118-K243 HydrophobicContact CE3-CB 3.9Å; W118-K243 HydrophobicContact CE3-CG 4.39Å; W118-K243 HydrophobicContact CH2-CB 4.07Å; W118-K243 HydrophobicContact CH2-CD 3.94Å; W118-K243 HydrophobicContact CH2-CG 4.36Å; W118-K243 HydrophobicContact CZ2-CB 4.46Å; W118-K243 HydrophobicContact CZ2-CD 3.68Å; W118-K243 HydrophobicContact CZ2-CG 4.27Å; W118-K243 HydrophobicContact CZ3-CB 3.74Å; W118-K243 HydrophobicContact CZ3-CD 4.45Å; W118-K243 HydrophobicContact CZ3-CG 4.38Å; K243-N245 PolarHBondContact O-N 3.21Å; K243-E246 PolarHBondContact N-O 3.23Å; K243-E246 WeakPolarHBondContact O-CB 3.49Å; K243-E246 PolarHBondContact O-N 3.21Å; K243-I248 HydrophobicContact CB-CG2 3.84Å
244S69.8Low84.5Confident60 Ų6023.3 Ų23.342%0.4211%0.114SC..THydrogen-bonded Turntrans49.943.7-178.7-59.90000113.1Q117 E246Q117-S244 PolarHBondContact O-N 3.36Å; Q117-S244 VanDerWaalsContact O-N 3.08Å; Q117-S244 PolarHBondContact OE1-OG 3.31Å; Q117-S244 VanDerWaalsContact OE1-OG 3.06Å; S244-E246 PolarHBondContact O-N 3.45Å
245N67Low84.5Confident106 Ų10623.3 Ų23.357%0.56711%0.114SC*.THydrogen-bonded Turntrans64.712-176-54.5-29.5000116.1R119 W242 K243R119-N245 PolarHBondContact NH1-OD1 2.93Å; W242-N245 WeakPolarHBondContact CZ3-O 3.37Å; K243-N245 PolarHBondContact O-N 3.21Å
246E71.7Confident84.4Confident52 Ų5223.3 Ų23.324%0.24311%0.114CC..EExtended strand (participates in β ladder)trans-101.8127.6171.4-60.8-172.7160.800110.3W242 K243 S244 I248 T464W242-E246 CarbonylContact C-O 3.48Å; W242-E246 VanDerWaalsContact CA-O 3.23Å; W242-E246 WeakPolarHBondContact CA-O 3.33Å; W242-E246 VanDerWaalsContact CE3-C 3.47Å; K243-E246 PolarHBondContact N-O 3.23Å; K243-E246 WeakPolarHBondContact O-CB 3.49Å; K243-E246 PolarHBondContact O-N 3.21Å; S244-E246 PolarHBondContact O-N 3.45Å; E246-I248 PolarHBondContact O-N 2.93Å; E246-T464 VanDerWaalsContact CD-CB 3.48Å; E246-T464 WeakPolarHBondContact OE1-CB 3.34Å; E246-T464 PolarHBondContact OE1-OG1 3.21Å
247W75.9Confident84.2Confident71 Ų7123.2 Ų23.227%0.26911%0.113SC..EExtended strand (participates in β ladder)trans-66.7125.3170.6174.950.5000108.7F240 W242 G249 P466 H467F240-W247 AromaticContact CD1-NE1 3.54Å; W242-W247 HydrophobicContact CD2-CB 4.12Å; W242-W247 HydrophobicContact CE3-CB 3.9Å; W242-W247 HydrophobicContact CH2-CB 3.93Å; W242-W247 HydrophobicContact CZ2-CB 4.16Å; W242-W247 HydrophobicContact CZ3-CB 3.8Å; W247-G249 VanDerWaalsContact C-N 3.34Å; W247-P466 HydrophobicContact CE3-CG 3.97Å; W247-P466 HydrophobicContact CZ3-CG 4.41Å; W247-P466 VanDerWaalsContact O-CG 3.31Å; W247-P466 WeakPolarHBondContact O-CG 3.23Å; W247-H467 AromaticContact CH2-CD2 3.63Å; W247-H467 AromaticContact CH2-NE2 3.27Å; W247-H467 VanDerWaalsContact CH2-NE2 3.27Å; W247-H467 WeakPolarHBondContact CH2-NE2 3.31Å; W247-H467 AromaticContact CZ3-CD2 3.43Å; W247-H467 VanDerWaalsContact CZ3-CD2 3.43Å; W247-H467 WeakPolarHBondContact CZ3-CD2 3.42Å; W247-H467 AromaticContact CZ3-NE2 3.58Å
248I78.4Confident84.2Confident12 Ų1223.4 Ų23.46%0.06211%0.114CC..  trans-86.9-8.5-173.779.1-167.5000113.1W118 G241 K243 E246 L250 Q432W118-I248 HydrophobicContact CE3-CD1 4.45Å; W118-I248 HydrophobicContact CH2-CD1 4.03Å; W118-I248 HydrophobicContact CH2-CG2 4.31Å; W118-I248 HydrophobicContact CZ3-CD1 3.43Å; W118-I248 VanDerWaalsContact CZ3-CD1 3.43Å; W118-I248 HydrophobicContact CZ3-CG2 3.79Å; G241-I248 VanDerWaalsContact O-CG1 3.26Å; G241-I248 WeakPolarHBondContact O-CG1 3.46Å; G241-I248 PolarHBondContact O-N 3.48Å; K243-I248 HydrophobicContact CB-CG2 3.84Å; E246-I248 PolarHBondContact O-N 2.93Å; I248-L250 VanDerWaalsContact C-N 3.32Å; I248-L250 HydrophobicContact CD1-CB 3.97Å; I248-L250 HydrophobicContact CD1-CD1 4.4Å; I248-L250 HydrophobicContact CD1-CG 4.38Å; I248-L250 HydrophobicContact CG1-CB 3.86Å; I248-L250 HydrophobicContact CG1-CG 4.09Å; I248-L250 PolarHBondContact O-N 3.47Å; I248-Q432 HydrophobicContact CB-CG 3.94Å; I248-Q432 WeakPolarHBondContact O-CG 3.13Å; I248-Q432 PolarHBondContact O-NE2 3.29Å; I248-Q432 VanDerWaalsContact O-NE2 3.16Å
249G84.8Confident84.4Confident3 Ų323.2 Ų23.23%0.03111%0.113CC..SBendtrans70.121.2-177.500000115.3W247W247-G249 VanDerWaalsContact C-N 3.34Å
250L90.6Very high84.8Confident1 Ų123.4 Ų23.41%0.00511%0.114CC..  trans-121.2147.9175.1-54.9178.5000111.3L207 T208 D209 G241 I248 T408 Q432L207-L250 HydrophobicContact CB-CD1 4.38Å; L207-L250 HydrophobicContact CD1-CD1 3.7Å; T208-L250 CarbonylContact O-C 3.58Å; T208-L250 WeakPolarHBondContact O-CA 3.09Å; D209-L250 HydrophobicContact CB-CD2 4.08Å; G241-L250 PolarHBondContact N-O 2.96Å; I248-L250 VanDerWaalsContact C-N 3.32Å; I248-L250 HydrophobicContact CD1-CB 3.97Å; I248-L250 HydrophobicContact CD1-CD1 4.4Å; I248-L250 HydrophobicContact CD1-CG 4.38Å; I248-L250 HydrophobicContact CG1-CB 3.86Å; I248-L250 HydrophobicContact CG1-CG 4.09Å; I248-L250 PolarHBondContact O-N 3.47Å; L250-T408 HydrophobicContact CD2-CG2 3.87Å; L250-Q432 VanDerWaalsContact CG-NE2 3.28Å
251T93.2Very high85.5Confident4 Ų425.7 Ų25.73%0.02512%0.121CC..EExtended strand (participates in β ladder)trans-104.1137.2173.9-68.60000110L207 T208 A210 C212 I236 S238 P239 V253L207-T251 WeakPolarHBondContact CA-O 3.43Å; T208-T251 HydrophobicContact CG2-CG2 4.29Å; T208-T251 PolarHBondContact N-O 2.95Å; T208-T251 VanDerWaalsContact N-O 3.16Å; T208-T251 PolarHBondContact O-N 3.12Å; A210-T251 PolarHBondContact O-OG1 2.94Å; C212-T251 HydrophobicContact CB-CG2 3.93Å; C212-T251 WeakPolarHBondContact CB-OG1 3.42Å; I236-T251 HydrophobicContact CG2-CG2 3.93Å; S238-T251 WeakPolarHBondContact O-CG2 3.23Å; P239-T251 PolarHBondContact O-OG1 3.36Å; T251-V253 HydrophobicContact CG2-CG2 4.07Å
252L93.9Very high86.4Confident1 Ų126 Ų261%0.00512%0.123CC..EExtended strand (participates in β ladder)trans-92.2128.9178.2178.868.6000110.8F104 F108 F112 F120 V205 L207 V237 S238F104-L252 HydrophobicContact CE2-CD1 4.42Å; F104-L252 HydrophobicContact CZ-CD1 4.44Å; F104-L252 HydrophobicContact CZ-CD2 4.09Å; F104-L252 HydrophobicContact CZ-CG 4.26Å; F108-L252 HydrophobicContact CD2-CD1 4.47Å; F108-L252 HydrophobicContact CD2-CD2 3.78Å; F108-L252 HydrophobicContact CE2-CD2 3.5Å; F108-L252 VanDerWaalsContact CE2-CD2 3.5Å; F112-L252 HydrophobicContact CE2-CD1 4.01Å; F112-L252 HydrophobicContact CZ-CD1 4.23Å; F120-L252 HydrophobicContact CD1-CB 4.38Å; F120-L252 HydrophobicContact CD1-CD2 4.07Å; F120-L252 HydrophobicContact CE1-CB 4.37Å; F120-L252 HydrophobicContact CE1-CD2 4.18Å; F120-L252 HydrophobicContact CG-CD2 4.46Å; V205-L252 HydrophobicContact CG1-CD1 3.73Å; L207-L252 HydrophobicContact CD2-CB 4.38Å; L207-L252 HydrophobicContact CD2-CD1 3.81Å; V237-L252 HydrophobicContact CB-CD2 4.27Å; V237-L252 HydrophobicContact CB-CG 4.23Å; V237-L252 HydrophobicContact CG1-CD2 4.03Å; V237-L252 PolarHBondContact N-O 2.85Å; S238-L252 PolarHBondContact N-O 3.42Å; S238-L252 PolarHBondContact O-N 3.39Å
253V96.6Very high87.4Confident0 Ų022 Ų220%011%0.108CC..EExtended strand (participates in β ladder)trans-131.4138.1-176.9178.40000109.7I206 T208 L221 V235 I236 T251I206-V253 HydrophobicContact CB-CB 4.04Å; I206-V253 HydrophobicContact CB-CG1 4.33Å; I206-V253 HydrophobicContact CD1-CG1 4.48Å; I206-V253 HydrophobicContact CG2-CB 4.47Å; I206-V253 PolarHBondContact N-O 3.36Å; I206-V253 PolarHBondContact O-N 3.3Å; T208-V253 HydrophobicContact CG2-CG2 4.23Å; L221-V253 HydrophobicContact CB-CG1 3.95Å; L221-V253 HydrophobicContact CB-CG2 4.39Å; L221-V253 HydrophobicContact CD2-CB 4.27Å; L221-V253 HydrophobicContact CD2-CG1 3.96Å; L221-V253 HydrophobicContact CD2-CG2 4Å; V235-V253 WeakPolarHBondContact O-CA 3.34Å; V235-V253 WeakPolarHBondContact O-CG1 3.23Å; I236-V253 HydrophobicContact CG1-CG2 4.43Å; T251-V253 HydrophobicContact CG2-CG2 4.07Å
254C96.9Very high88.2Confident0 Ų022.4 Ų22.40%011%0.112CC..EExtended strand (participates in β ladder)trans-95133.5171.3-179.80000109.3F104 F139 G234 V235 V237 V256 I259F104-C254 HydrophobicContact CD2-CB 3.55Å; F104-C254 VanDerWaalsContact CD2-SG 3.52Å; F104-C254 HydrophobicContact CE2-CB 3.68Å; F104-C254 HydrophobicContact CG-CB 4.09Å; F104-C254 HydrophobicContact CZ-CB 4.32Å; F139-C254 HydrophobicContact CE1-CB 4.08Å; F139-C254 HydrophobicContact CE2-CB 4.19Å; F139-C254 HydrophobicContact CZ-CB 3.39Å; F139-C254 VanDerWaalsContact CZ-SG 3.6Å; G234-C254 CarbonylContact C-O 3.26Å; G234-C254 WeakPolarHBondContact CA-O 3.4Å; V235-C254 PolarHBondContact N-O 3.28Å; V235-C254 PolarHBondContact O-N 3.47Å; V237-C254 HydrophobicContact CG2-CB 3.57Å; C254-V256 PolarHBondContact O-N 3.4Å; C254-I259 HydrophobicContact CB-CD1 4.16Å
255S97.3Very high89Confident0 Ų026 Ų260%012%0.116CC..EExtended strand (participates in β ladder)trans-58.3131.1176.51680000111.7S162 A204 D257 V258 I259S162-S255 WeakPolarHBondContact CB-OG 3.21Å; S162-S255 WeakPolarHBondContact OG-CB 3.41Å; S162-S255 PolarHBondContact OG-OG 3.46Å; A204-S255 PolarHBondContact O-N 3.24Å; S255-D257 VanDerWaalsContact C-N 3.3Å; S255-D257 PolarHBondContact O-N 2.98Å; S255-D257 PolarHBondContact OG-N 2.98Å; S255-V258 PolarHBondContact O-N 3.42Å; S255-I259 WeakPolarHBondContact O-CG1 3.35Å; S255-I259 PolarHBondContact O-N 3.27Å
256V95.8Very high89.9Confident0 Ų022.3 Ų22.30%010%0.098CC..Hα-helixtrans-68.6-31.9178.475.90000111.8L39 W159 L232 I233 C254 V258 I259 F260L39-V256 HydrophobicContact CD2-CG2 4.27Å; W159-V256 HydrophobicContact CB-CG1 4.29Å; W159-V256 HydrophobicContact CE3-CG1 4.01Å; L232-V256 HydrophobicContact CD2-CG2 3.89Å; L232-V256 HydrophobicContact CG-CB 4.4Å; L232-V256 HydrophobicContact CG-CG1 4.27Å; L232-V256 HydrophobicContact CG-CG2 4.28Å; I233-V256 PolarHBondContact O-N 3.03Å; C254-V256 PolarHBondContact O-N 3.4Å; V256-V258 VanDerWaalsContact C-N 3.31Å; V256-V258 PolarHBondContact O-N 2.8Å; V256-I259 PolarHBondContact O-N 2.83Å; V256-F260 HydrophobicContact CG2-CD1 3.95Å; V256-F260 HydrophobicContact CG2-CD2 4.17Å; V256-F260 HydrophobicContact CG2-CE1 3.49Å; V256-F260 VanDerWaalsContact CG2-CE1 3.49Å; V256-F260 HydrophobicContact CG2-CE2 3.72Å; V256-F260 HydrophobicContact CG2-CG 4.3Å; V256-F260 HydrophobicContact CG2-CZ 3.37Å; V256-F260 WeakPolarHBondContact O-CB 3.48Å; V256-F260 VanDerWaalsContact O-CG 3.24Å; V256-F260 WeakPolarHBondContact O-CG 3.18Å; V256-F260 PolarHBondContact O-N 3.09Å
257D92.9Very high90.3Very high0 Ų020.8 Ų20.80%09%0.093CC..Hα-helixtrans-59.2-44.3175.9-173.721.9000110.6W159 S161 S255 F260 R261W159-D257 HydrophobicContact CZ3-CB 3.81Å; S161-D257 WeakPolarHBondContact CB-OD2 3.39Å; S161-D257 PolarHBondContact OG-OD2 3.02Å; S255-D257 VanDerWaalsContact C-N 3.3Å; S255-D257 PolarHBondContact O-N 2.98Å; S255-D257 PolarHBondContact OG-N 2.98Å; D257-F260 PolarHBondContact O-N 3.04Å; D257-R261 VanDerWaalsContact O-CG 3.29Å; D257-R261 WeakPolarHBondContact O-CG 3.25Å; D257-R261 PolarHBondContact O-N 2.97Å; D257-R261 IonicContact OD1-CZ 3.23Å; D257-R261 IonicContact OD1-NE 3.08Å; D257-R261 PolarHBondContact OD1-NE 3.13Å; D257-R261 IonicContact OD1-NH2 3.99Å; D257-R261 PolarHBondContact OD1-NH2 3.1Å; D257-R261 IonicContact OD2-CZ 2.79Å; D257-R261 IonicContact OD2-NE 2.79Å; D257-R261 IonicContact OD2-NH2 3.15Å; D257-R261 PolarHBondContact OD2-NH2 3.22Å
258V93.8Very high90Very high7 Ų720 Ų204%0.04211%0.107CC..Hα-helixtrans-70.4-35.6179.7-1730000111.8C101 K103 D202 A204 S255 V256 S262C101-V258 WeakPolarHBondContact SG-CG1 3.36Å; K103-V258 HydrophobicContact CB-CG1 3.67Å; K103-V258 HydrophobicContact CG-CG1 4.22Å; D202-V258 HydrophobicContact CB-CG2 4.29Å; A204-V258 HydrophobicContact CB-CG1 4.47Å; A204-V258 HydrophobicContact CB-CG2 4.01Å; S255-V258 PolarHBondContact O-N 3.42Å; V256-V258 VanDerWaalsContact C-N 3.31Å; V256-V258 PolarHBondContact O-N 2.8Å; V258-S262 WeakPolarHBondContact O-CB 3.2Å; V258-S262 PolarHBondContact O-N 2.96Å; V258-S262 VanDerWaalsContact O-N 3.1Å; V258-S262 PolarHBondContact O-OG 2.88Å
259I95.2Very high89Confident0 Ų026.8 Ų26.80%015%0.148CC..Hα-helixtrans-65.2-48.1173.4-62.5166.5000110.1L39 V99 F139 V235 C254 S255 V256 R261 S262 V263L39-I259 HydrophobicContact CD1-CG2 3.92Å; L39-I259 HydrophobicContact CD2-CD1 4.2Å; L39-I259 HydrophobicContact CD2-CG2 3.89Å; V99-I259 HydrophobicContact CG1-CG2 4.41Å; F139-I259 HydrophobicContact CB-CG2 4.3Å; F139-I259 HydrophobicContact CD1-CD1 3.69Å; F139-I259 HydrophobicContact CD1-CG1 4.43Å; F139-I259 HydrophobicContact CD2-CD1 4.09Å; F139-I259 HydrophobicContact CD2-CG1 3.94Å; F139-I259 HydrophobicContact CE1-CD1 3.63Å; F139-I259 HydrophobicContact CE1-CG1 4.46Å; F139-I259 HydrophobicContact CE2-CD1 4.04Å; F139-I259 HydrophobicContact CE2-CG1 3.99Å; F139-I259 HydrophobicContact CG-CD1 3.94Å; F139-I259 HydrophobicContact CG-CG1 4.19Å; F139-I259 HydrophobicContact CG-CG2 4.34Å; F139-I259 HydrophobicContact CZ-CD1 3.83Å; F139-I259 HydrophobicContact CZ-CG1 4.27Å; V235-I259 HydrophobicContact CB-CD1 4.04Å; V235-I259 HydrophobicContact CG2-CD1 3.84Å; C254-I259 HydrophobicContact CB-CD1 4.16Å; S255-I259 WeakPolarHBondContact O-CG1 3.35Å; S255-I259 PolarHBondContact O-N 3.27Å; V256-I259 PolarHBondContact O-N 2.83Å; I259-R261 PolarHBondContact O-N 2.82Å; I259-S262 WeakPolarHBondContact O-CB 3.36Å; I259-S262 PolarHBondContact O-N 2.96Å; I259-S262 VanDerWaalsContact O-N 3.13Å; I259-V263 WeakPolarHBondContact O-CG2 3.46Å; I259-V263 PolarHBondContact O-N 3.16Å
260F93.6Very high88.1Confident6 Ų637.7 Ų37.73%0.02619%0.188CC..Hα-helixtrans-60.9-45.4-179.6-70.6-8000111.9V31 L39 W159 V256 D257 S262 V263 I264 L273 V276V31-F260 HydrophobicContact CB-CZ 4.32Å; V31-F260 HydrophobicContact CG1-CE1 4.27Å; V31-F260 HydrophobicContact CG1-CZ 4.05Å; L39-F260 HydrophobicContact CD2-CE1 4.14Å; W159-F260 HydrophobicContact CB-CE2 4.43Å; W159-F260 AromaticContact CD1-CE2 3.9Å; W159-F260 AromaticContact CD2-CD2 3.98Å; W159-F260 HydrophobicContact CD2-CD2 3.98Å; W159-F260 AromaticContact CD2-CE2 3.79Å; W159-F260 HydrophobicContact CD2-CE2 3.79Å; W159-F260 AromaticContact CE2-CD2 3.89Å; W159-F260 AromaticContact CE2-CE2 3.92Å; W159-F260 HydrophobicContact CE3-CD2 4.26Å; W159-F260 HydrophobicContact CE3-CE2 4.36Å; W159-F260 HydrophobicContact CG-CD2 4.46Å; W159-F260 AromaticContact CG-CE2 3.8Å; W159-F260 HydrophobicContact CG-CE2 3.8Å; W159-F260 HydrophobicContact CH2-CD2 4.36Å; W159-F260 HydrophobicContact CZ2-CD2 4.09Å; W159-F260 HydrophobicContact CZ3-CD2 4.45Å; W159-F260 AromaticContact NE1-CE2 3.97Å; V256-F260 HydrophobicContact CG2-CD1 3.95Å; V256-F260 HydrophobicContact CG2-CD2 4.17Å; V256-F260 HydrophobicContact CG2-CE1 3.49Å; V256-F260 VanDerWaalsContact CG2-CE1 3.49Å; V256-F260 HydrophobicContact CG2-CE2 3.72Å; V256-F260 HydrophobicContact CG2-CG 4.3Å; V256-F260 HydrophobicContact CG2-CZ 3.37Å; V256-F260 WeakPolarHBondContact O-CB 3.48Å; V256-F260 VanDerWaalsContact O-CG 3.24Å; V256-F260 WeakPolarHBondContact O-CG 3.18Å; V256-F260 PolarHBondContact O-N 3.09Å; D257-F260 PolarHBondContact O-N 3.04Å; F260-S262 VanDerWaalsContact C-N 3.29Å; F260-S262 PolarHBondContact O-N 3.39Å; F260-V263 PolarHBondContact O-N 3.14Å; F260-V263 VanDerWaalsContact O-N 3.12Å; F260-I264 VanDerWaalsContact O-CG1 3.32Å; F260-I264 WeakPolarHBondContact O-CG1 3.43Å; F260-I264 PolarHBondContact O-N 2.75Å; F260-L273 HydrophobicContact CB-CD1 4.4Å; F260-L273 HydrophobicContact CD1-CD1 3.39Å; F260-L273 HydrophobicContact CE1-CD1 3.8Å; F260-L273 HydrophobicContact CE1-CD2 4.33Å; F260-L273 HydrophobicContact CG-CD1 4.06Å; F260-V276 HydrophobicContact CE2-CG1 3.71Å; F260-V276 HydrophobicContact CZ-CG1 3.97Å
261R90.9Very high87.4Confident85 Ų8539 Ų3932%0.32120%0.195SC..Hα-helixtrans-59.5-39.4174.2-69.4177.6-162.6-176.15.6112.2D202 D257 I259 I264 R265D202-R261 IonicContact OD1-NH1 3.97Å; D202-R261 IonicContact OD2-CZ 3.8Å; D202-R261 IonicContact OD2-NH1 2.76Å; D202-R261 PolarHBondContact OD2-NH1 3.04Å; D257-R261 VanDerWaalsContact O-CG 3.29Å; D257-R261 WeakPolarHBondContact O-CG 3.25Å; D257-R261 PolarHBondContact O-N 2.97Å; D257-R261 IonicContact OD1-CZ 3.23Å; D257-R261 IonicContact OD1-NE 3.08Å; D257-R261 PolarHBondContact OD1-NE 3.13Å; D257-R261 IonicContact OD1-NH2 3.99Å; D257-R261 PolarHBondContact OD1-NH2 3.1Å; D257-R261 IonicContact OD2-CZ 2.79Å; D257-R261 IonicContact OD2-NE 2.79Å; D257-R261 IonicContact OD2-NH2 3.15Å; D257-R261 PolarHBondContact OD2-NH2 3.22Å; I259-R261 PolarHBondContact O-N 2.82Å; R261-I264 PolarHBondContact O-N 3.13Å; R261-R265 WeakPolarHBondContact O-CB 3.33Å; R261-R265 PolarHBondContact O-N 3.09Å
262S92.3Very high86.4Confident8 Ų840 Ų406%0.05620%0.202CC..Hα-helixtrans-61.8-42.4174.6-58.40000111.9V258 I259 F260 C266V258-S262 WeakPolarHBondContact O-CB 3.2Å; V258-S262 PolarHBondContact O-N 2.96Å; V258-S262 VanDerWaalsContact O-N 3.1Å; V258-S262 PolarHBondContact O-OG 2.88Å; I259-S262 WeakPolarHBondContact O-CB 3.36Å; I259-S262 PolarHBondContact O-N 2.96Å; I259-S262 VanDerWaalsContact O-N 3.13Å; F260-S262 VanDerWaalsContact C-N 3.29Å; F260-S262 PolarHBondContact O-N 3.39Å; S262-C266 PolarHBondContact O-N 3.03Å; S262-C266 PolarHBondContact O-SG 2.88Å
263V92.5Very high85.7Confident0 Ų040.2 Ų40.20%020%0.203CC..Hα-helixtrans-64.5-48.7176.9173.70000111.3M97 V99 V141 I259 F260 R265 C266 T267 P272 L273M97-V263 HydrophobicContact SD-CG1 4.05Å; V99-V263 HydrophobicContact CB-CG2 4.27Å; V99-V263 HydrophobicContact CG1-CG2 3.8Å; V99-V263 HydrophobicContact CG2-CG2 4.36Å; V141-V263 HydrophobicContact CG2-CG2 3.87Å; I259-V263 WeakPolarHBondContact O-CG2 3.46Å; I259-V263 PolarHBondContact O-N 3.16Å; F260-V263 PolarHBondContact O-N 3.14Å; F260-V263 VanDerWaalsContact O-N 3.12Å; V263-R265 VanDerWaalsContact C-N 3.32Å; V263-R265 PolarHBondContact O-N 2.76Å; V263-C266 PolarHBondContact O-N 2.85Å; V263-C266 VanDerWaalsContact O-N 3.09Å; V263-T267 HydrophobicContact CG1-CG2 4.12Å; V263-T267 WeakPolarHBondContact O-CB 3.32Å; V263-T267 VanDerWaalsContact O-CG2 3.26Å; V263-T267 WeakPolarHBondContact O-CG2 3.24Å; V263-T267 PolarHBondContact O-N 3.31Å; V263-T267 VanDerWaalsContact O-N 3.11Å; V263-T267 PolarHBondContact O-OG1 2.83Å; V263-P272 HydrophobicContact CG1-CG 4Å; V263-L273 HydrophobicContact CB-CD1 3.83Å; V263-L273 HydrophobicContact CG1-CD1 3.74Å; V263-L273 HydrophobicContact CG1-CG 4.12Å; V263-L273 HydrophobicContact CG2-CD1 4Å
264I88.9Confident84.8Confident54 Ų5447.8 Ų47.828%0.27723%0.232SC..Hα-helixtrans-57.3-47.7-179.6-68.4163.5000110.3F260 R261 C266 T267 G268 W277F260-I264 VanDerWaalsContact O-CG1 3.32Å; F260-I264 WeakPolarHBondContact O-CG1 3.43Å; F260-I264 PolarHBondContact O-N 2.75Å; R261-I264 PolarHBondContact O-N 3.13Å; I264-C266 PolarHBondContact O-N 2.69Å; I264-T267 PolarHBondContact O-N 2.79Å; I264-T267 PolarHBondContact O-OG1 2.69Å; I264-G268 PolarHBondContact O-N 3.41Å; I264-W277 HydrophobicContact CD1-CD2 4.24Å; I264-W277 HydrophobicContact CD1-CE3 4.01Å; I264-W277 HydrophobicContact CD1-CZ3 4.42Å
265R87.7Confident83.4Confident136 Ų13649.1 Ų49.151%0.51325%0.245SC..Hα-helixtrans-57.7-35.1178.4-175.7177.362.3144.73.6112.8E60 R261 V263E60-R265 VanDerWaalsContact CD-NH1 3.33Å; E60-R265 IonicContact OE1-CZ 2.73Å; E60-R265 IonicContact OE1-NH1 2.66Å; E60-R265 PolarHBondContact OE1-NH1 3.3Å; E60-R265 IonicContact OE1-NH2 2.68Å; E60-R265 PolarHBondContact OE1-NH2 2.6Å; E60-R265 IonicContact OE2-CZ 3.71Å; E60-R265 IonicContact OE2-NE 3.2Å; E60-R265 PolarHBondContact OE2-NE 3.3Å; E60-R265 IonicContact OE2-NH1 3.58Å; E60-R265 PolarHBondContact OE2-NH1 3.34Å; E60-R265 IonicContact OE2-NH2 3.88Å; E60-R265 PolarHBondContact OE2-NH2 3.29Å; R261-R265 WeakPolarHBondContact O-CB 3.33Å; R261-R265 PolarHBondContact O-N 3.09Å; V263-R265 VanDerWaalsContact C-N 3.32Å; V263-R265 PolarHBondContact O-N 2.76Å
266C85.6Confident82.4Confident28 Ų2849.1 Ų49.119%0.18925%0.245CC..Hα-helixtrans-87.1-14.4-177.3-62.90000114.4V61 S262 V263 I264V61-C266 HydrophobicContact CB-CB 3.99Å; V61-C266 HydrophobicContact CG1-CB 4.06Å; V61-C266 HydrophobicContact CG2-CB 4.21Å; S262-C266 PolarHBondContact O-N 3.03Å; S262-C266 PolarHBondContact O-SG 2.88Å; V263-C266 PolarHBondContact O-N 2.85Å; V263-C266 VanDerWaalsContact O-N 3.09Å; I264-C266 PolarHBondContact O-N 2.69Å
267T79.1Confident81Confident21 Ų2152.9 Ų52.913%0.12926%0.26CS..Hα-helixtrans-116.5-21.5-166.7540000114.9M97 V263 I264 V269 R270 D271M97-T267 HydrophobicContact CE-CG2 3.22Å; M97-T267 HydrophobicContact SD-CG2 3.53Å; M97-T267 VanDerWaalsContact SD-CG2 3.53Å; V263-T267 HydrophobicContact CG1-CG2 4.12Å; V263-T267 WeakPolarHBondContact O-CB 3.32Å; V263-T267 VanDerWaalsContact O-CG2 3.26Å; V263-T267 WeakPolarHBondContact O-CG2 3.24Å; V263-T267 PolarHBondContact O-N 3.31Å; V263-T267 VanDerWaalsContact O-N 3.11Å; V263-T267 PolarHBondContact O-OG1 2.83Å; I264-T267 PolarHBondContact O-N 2.79Å; I264-T267 PolarHBondContact O-OG1 2.69Å; T267-V269 PolarHBondContact O-N 2.84Å; T267-R270 PolarHBondContact O-N 2.83Å; T267-R270 VanDerWaalsContact O-N 3.1Å; T267-D271 WeakPolarHBondContact OG1-CA 3.16Å
268G70.8Confident79.4Confident54 Ų5457.7 Ų57.756%0.55728%0.282SS*.G310 helixtrans51.6-123.9178.600000112.3I264 R270I264-G268 PolarHBondContact O-N 3.41Å; G268-R270 VanDerWaalsContact C-N 3.25Å; G268-R270 PolarHBondContact O-N 2.81Å
269V56.8Low77.8Confident155 Ų15559.8 Ų59.894%0.93929%0.291SS*.G310 helixtrans-69.9-15.3-176.5-173.20000113.7T267T267-V269 PolarHBondContact O-N 2.84Å
270R65.6Low75.8Confident231 Ų23161.6 Ų61.687%0.87230%0.299SS*.G310 helixtrans-104.839.6178.9-66.2-174.4-179.7-170.40.8112.2T267 G268 P272T267-R270 PolarHBondContact O-N 2.83Å; T267-R270 VanDerWaalsContact O-N 3.1Å; G268-R270 VanDerWaalsContact C-N 3.25Å; G268-R270 PolarHBondContact O-N 2.81Å; R270-P272 VanDerWaalsContact O-CD 3.31Å; R270-P272 WeakPolarHBondContact O-CD 3.42Å
271D75.4Confident73.6Confident28 Ų2868.1 Ų68.115%0.1533%0.33CS..  trans-67.1114.7-179.217913.6000112.2T267 L273 R274T267-D271 WeakPolarHBondContact OG1-CA 3.16Å; D271-L273 PolarHBondContact O-N 3.2Å; D271-L273 WeakPolarHBondContact OD1-CA 3.31Å; D271-L273 WeakPolarHBondContact OD1-CB 3.14Å; D271-L273 PolarHBondContact OD1-N 3.16Å; D271-R274 HydrophobicContact CB-CB 4.34Å; D271-R274 PolarHBondContact O-N 3.38Å; D271-R274 PolarHBondContact OD2-N 2.94Å
272P73.8Confident71.3Confident25 Ų2571.2 Ų71.216%0.16235%0.348CS..THydrogen-bonded Turntrans-70.5-9.5176.932-36.6000113.8T37 L96 M97 V141 V263 R270T37-P272 PolarHBondContact OG1-O 2.95Å; L96-P272 HydrophobicContact CD1-CB 3.72Å; L96-P272 HydrophobicContact CD1-CG 4.49Å; M97-P272 HydrophobicContact CE-CG 3.88Å; V141-P272 HydrophobicContact CG1-CB 4.37Å; V141-P272 HydrophobicContact CG1-CG 4.05Å; V263-P272 HydrophobicContact CG1-CG 4Å; R270-P272 VanDerWaalsContact O-CD 3.31Å; R270-P272 WeakPolarHBondContact O-CD 3.42Å
273L78.5Confident68.9Low6 Ų672.6 Ų72.63%0.03136%0.36CS..THydrogen-bonded Turntrans-107.58.1179.8-60.9177.6000113.5V31 T37 F260 V263 D271 G275 V276 W277V31-L273 HydrophobicContact CG2-CD2 3.7Å; T37-L273 HydrophobicContact CG2-CD2 3.79Å; F260-L273 HydrophobicContact CB-CD1 4.4Å; F260-L273 HydrophobicContact CD1-CD1 3.39Å; F260-L273 HydrophobicContact CE1-CD1 3.8Å; F260-L273 HydrophobicContact CE1-CD2 4.33Å; F260-L273 HydrophobicContact CG-CD1 4.06Å; V263-L273 HydrophobicContact CB-CD1 3.83Å; V263-L273 HydrophobicContact CG1-CD1 3.74Å; V263-L273 HydrophobicContact CG1-CG 4.12Å; V263-L273 HydrophobicContact CG2-CD1 4Å; D271-L273 PolarHBondContact O-N 3.2Å; D271-L273 WeakPolarHBondContact OD1-CA 3.31Å; D271-L273 WeakPolarHBondContact OD1-CB 3.14Å; D271-L273 PolarHBondContact OD1-N 3.16Å; L273-G275 VanDerWaalsContact C-N 3.3Å; L273-G275 PolarHBondContact O-N 3.41Å; L273-V276 HydrophobicContact CD2-CG2 4.27Å; L273-V276 WeakPolarHBondContact O-CA 3.35Å; L273-V276 WeakPolarHBondContact O-CB 3.35Å; L273-V276 PolarHBondContact O-N 3.23Å; L273-W277 PolarHBondContact O-N 2.98Å
274R76.9Confident66.5Low160 Ų16077.5 Ų77.560%0.60439%0.386SS*.Hα-helixtrans-50.4-46.5-177.3-173.6177172.2-156.4-9113.4D271 V276 W277 E278D271-R274 HydrophobicContact CB-CB 4.34Å; D271-R274 PolarHBondContact O-N 3.38Å; D271-R274 PolarHBondContact OD2-N 2.94Å; R274-V276 PolarHBondContact O-N 3.46Å; R274-W277 PolarHBondContact O-N 2.81Å; R274-E278 HydrophobicContact CG-CG 4.49Å; R274-E278 IonicContact CZ-OE1 3.54Å; R274-E278 IonicContact NE-OE1 3.63Å; R274-E278 PolarHBondContact NE-OE1 3.05Å; R274-E278 IonicContact NH2-OE1 3Å; R274-E278 PolarHBondContact NH2-OE1 3.27Å; R274-E278 WeakPolarHBondContact O-CG 3.49Å; R274-E278 PolarHBondContact O-N 3.36Å; R274-E278 VanDerWaalsContact O-N 3.15Å
275G68.4Low64Low27 Ų2781.2 Ų81.228%0.27841%0.406SS..Hα-helixtrans-69.6-14.2178.100000115.2L273L273-G275 VanDerWaalsContact C-N 3.3Å; L273-G275 PolarHBondContact O-N 3.41Å
276V75.2Confident61.4Low1 Ų179.3 Ų79.31%0.00641%0.412CS..Hα-helixtrans-85.5-32.4173.5-175.50000110.9V31 H32 W159 F260 L273 R274V31-V276 HydrophobicContact CB-CG2 4.48Å; V31-V276 HydrophobicContact CG2-CG2 4.49Å; H32-V276 HydrophobicContact CB-CG2 3.72Å; W159-V276 PolarHBondContact NE1-O 3.03Å; F260-V276 HydrophobicContact CE2-CG1 3.71Å; F260-V276 HydrophobicContact CZ-CG1 3.97Å; L273-V276 HydrophobicContact CD2-CG2 4.27Å; L273-V276 WeakPolarHBondContact O-CA 3.35Å; L273-V276 WeakPolarHBondContact O-CB 3.35Å; L273-V276 PolarHBondContact O-N 3.23Å; R274-V276 PolarHBondContact O-N 3.46Å
277W66.2Low59.1Low79 Ų7984.4 Ų84.430%0.29944%0.435SS..Hα-helixtrans-82.1-36.9-178.4-179.2-92000113.6W159 I264 L273 R274 Q279 K280W159-W277 HydrophobicContact CH2-CE3 4.13Å; W159-W277 AromaticContact CH2-CZ3 3.83Å; W159-W277 HydrophobicContact CH2-CZ3 3.83Å; W159-W277 AromaticContact CZ2-CE3 3.75Å; W159-W277 HydrophobicContact CZ2-CE3 3.75Å; W159-W277 AromaticContact CZ2-CZ3 3.94Å; W159-W277 HydrophobicContact CZ2-CZ3 3.94Å; I264-W277 HydrophobicContact CD1-CD2 4.24Å; I264-W277 HydrophobicContact CD1-CE3 4.01Å; I264-W277 HydrophobicContact CD1-CZ3 4.42Å; L273-W277 PolarHBondContact O-N 2.98Å; R274-W277 PolarHBondContact O-N 2.81Å; W277-Q279 PolarHBondContact O-N 2.92Å; W277-K280 HydrophobicContact CD2-CD 4.2Å; W277-K280 HydrophobicContact CE3-CD 3.89Å; W277-K280 HydrophobicContact CH2-CD 3.41Å; W277-K280 VanDerWaalsContact CH2-CD 3.41Å; W277-K280 HydrophobicContact CZ2-CD 3.67Å; W277-K280 HydrophobicContact CZ3-CD 3.5Å; W277-K280 VanDerWaalsContact CZ3-CD 3.5Å; W277-K280 WeakPolarHBondContact O-CB 3.48Å; W277-K280 PolarHBondContact O-N 3.31Å
278E61.1Low56.8Low100 Ų10088.6 Ų88.647%0.46747%0.465SS..THydrogen-bonded Turntrans-57.9-20.8-179.4-73.1172.6168.500112.4R274R274-E278 HydrophobicContact CG-CG 4.49Å; R274-E278 IonicContact CZ-OE1 3.54Å; R274-E278 IonicContact NE-OE1 3.63Å; R274-E278 PolarHBondContact NE-OE1 3.05Å; R274-E278 IonicContact NH2-OE1 3Å; R274-E278 PolarHBondContact NH2-OE1 3.27Å; R274-E278 WeakPolarHBondContact O-CG 3.49Å; R274-E278 PolarHBondContact O-N 3.36Å; R274-E278 VanDerWaalsContact O-N 3.15Å
279Q60.1Low54.9Low51 Ų5189.8 Ų89.824%0.23847%0.465CS..THydrogen-bonded Turntrans-79.4-13.4173.3-63.8-162.9-27.600115.2E155 S156 W277 A283E155-Q279 PolarHBondContact OE2-NE2 2.79Å; S156-Q279 PolarHBondContact OG-OE1 3.36Å; W277-Q279 PolarHBondContact O-N 2.92Å; Q279-A283 PolarHBondContact O-N 3.4Å
280K53.3Low54Low39 Ų3989.2 Ų89.217%0.1746%0.462CS..Hα-helixtrans-66.7-38.2178.6-173.3-178.4177.2-1800111.6W159 W277 E282 A283 D284W159-K280 HydrophobicContact CH2-CD 3.99Å; W159-K280 HydrophobicContact CZ2-CB 4.35Å; W159-K280 HydrophobicContact CZ2-CD 3.97Å; W159-K280 HydrophobicContact CZ2-CG 4.36Å; W277-K280 HydrophobicContact CD2-CD 4.2Å; W277-K280 HydrophobicContact CE3-CD 3.89Å; W277-K280 HydrophobicContact CH2-CD 3.41Å; W277-K280 VanDerWaalsContact CH2-CD 3.41Å; W277-K280 HydrophobicContact CZ2-CD 3.67Å; W277-K280 HydrophobicContact CZ3-CD 3.5Å; W277-K280 VanDerWaalsContact CZ3-CD 3.5Å; W277-K280 WeakPolarHBondContact O-CB 3.48Å; W277-K280 PolarHBondContact O-N 3.31Å; K280-E282 VanDerWaalsContact C-N 3.32Å; K280-E282 PolarHBondContact O-N 3.48Å; K280-A283 PolarHBondContact O-N 2.95Å; K280-D284 WeakPolarHBondContact CE-OD2 3.41Å; K280-D284 PolarHBondContact O-N 3.33Å; K280-D284 VanDerWaalsContact O-N 3.1Å
281E47.2Very low52.4Low142 Ų14282.7 Ų82.766%0.66446%0.457SS*.Hα-helixtrans-66.4-31.5-177.2-71-176.3166.700112.5L285E281-L285 VanDerWaalsContact O-CD1 3.25Å; E281-L285 WeakPolarHBondContact O-CD1 3.33Å; E281-L285 WeakPolarHBondContact O-CG 3.49Å
282E43Very low50.5Low151 Ų15190.9 Ų90.971%0.70650%0.495SS*.Hα-helixtrans-78.1-31.2175.2-74.3-176.2153.600113.3K280K280-E282 VanDerWaalsContact C-N 3.32Å; K280-E282 PolarHBondContact O-N 3.48Å
283A40.5Very low48.7Very low37 Ų3791.9 Ų91.931%0.30651%0.51SS..Hα-helixtrans-79.3-34.9-178.400000113.5Q279 K280 L285 C286Q279-A283 PolarHBondContact O-N 3.4Å; K280-A283 PolarHBondContact O-N 2.95Å; A283-L285 VanDerWaalsContact C-N 3.34Å; A283-C286 PolarHBondContact O-N 2.8Å
284D42.5Very low46.9Very low103 Ų10397.1 Ų97.155%0.55154%0.544SS*.Hα-helixtrans-72.8-25.6178.3-78.2-20.3000112.2K280K280-D284 WeakPolarHBondContact CE-OD2 3.41Å; K280-D284 PolarHBondContact O-N 3.33Å; K280-D284 VanDerWaalsContact O-N 3.1Å
285L36.5Very low45.5Very low132 Ų13294 Ų9469%0.69155%0.553SS**Hα-helixtrans-69.9-30.2175.1-77.9164.1000113.1E281 A283 M287 S288E281-L285 VanDerWaalsContact O-CD1 3.25Å; E281-L285 WeakPolarHBondContact O-CD1 3.33Å; E281-L285 WeakPolarHBondContact O-CG 3.49Å; A283-L285 VanDerWaalsContact C-N 3.34Å; L285-M287 VanDerWaalsContact C-N 3.35Å; L285-S288 PolarHBondContact O-OG 2.83Å; L285-S288 VanDerWaalsContact O-OG 3.05Å
286C33.5Very low45.2Very low96 Ų9696.2 Ų96.265%0.64957%0.568SS**G310 helixtrans-82.6-9.8-177.3-157.90000113.6A283 S288A283-C286 PolarHBondContact O-N 2.8Å; C286-S288 VanDerWaalsContact C-N 3.34Å
287M36.7Very low45Very low135 Ų13599 Ų9967%0.66559%0.585SS**G310 helixtrans-89.23.3-179.3-68-62-62.600113.9L285L285-M287 VanDerWaalsContact C-N 3.35Å
288S30.7Very low45.8Very low108 Ų108104.8 Ų104.876%0.75561%0.607SS**G310 helixtrans-87.4-5.7179.761.80000114.7L285 C286L285-S288 PolarHBondContact O-OG 2.83Å; L285-S288 VanDerWaalsContact O-OG 3.05Å; C286-S288 VanDerWaalsContact C-N 3.34Å
289S30.6Very low47.2Very low79 Ų79102.1 Ų102.155%0.55259%0.594SS**SBendtrans-112.7102175.865.70000112A291S289-A291 PolarHBondContact O-N 3.49Å
290T38.5Very low48.8Very low143 Ų14399.9 Ų99.988%0.87759%0.585SS**  trans20.277.2145.854.70000116.8
291A31.9Very low50.7Low95 Ų9598.9 Ų98.979%0.78558%0.582SS**  trans-105.591153.700000107.1S289 G293S289-A291 PolarHBondContact O-N 3.49Å; A291-G293 PolarHBondContact O-N 2.97Å
292Q34.8Very low53Low199 Ų19992.5 Ų92.593%0.9355%0.552SS**  trans-60.987.4156.9-74.9-169.3-13.700106.9
293G37.3Very low55.5Low47 Ų4785.3 Ų85.349%0.48552%0.519SS..  trans-58.6162.6160.600000109.5A291 A295A291-G293 PolarHBondContact O-N 2.97Å; G293-A295 PolarHBondContact O-N 3.03Å; G293-A295 VanDerWaalsContact O-N 3.13Å
294P39.1Very low58.2Low116 Ų11684.1 Ų84.175%0.75351%0.507SS*.SBendtrans-49.5127.5174.320.7-30.6000108.8A296P294-A296 PolarHBondContact O-N 3.31Å
295A48Very low60.7Low95 Ų9579.2 Ų79.279%0.78548%0.48SS*.  trans-44.7118.8-17500000109.6G293 V297G293-A295 PolarHBondContact O-N 3.03Å; G293-A295 VanDerWaalsContact O-N 3.13Å; A295-V297 PolarHBondContact O-N 2.69Å; A295-V297 VanDerWaalsContact O-N 3.09Å
296A61.6Low63.5Low73 Ų7375 Ų7560%0.60346%0.458SS*.  trans-51.2122.9-178.400000108.7P294 R298P294-A296 PolarHBondContact O-N 3.31Å; A296-R298 PolarHBondContact O-N 3.12Å
297V71.6Confident66.4Low59 Ų5971 Ų7136%0.35843%0.431SS..  trans-56.2112.2-178.5178.40000107.7A295 H299 Q444A295-V297 PolarHBondContact O-N 2.69Å; A295-V297 VanDerWaalsContact O-N 3.09Å; V297-H299 PolarHBondContact O-N 2.97Å; V297-H299 VanDerWaalsContact O-N 3.17Å; V297-Q444 WeakPolarHBondContact CG2-O 3.49Å
298R83.1Confident68.9Low200 Ų20067.7 Ų67.776%0.75543%0.432SS*.  trans-76.4107.1178.8-81.2-172.8162-164.4-6.5108.8A296 V377A296-R298 PolarHBondContact O-N 3.12Å; R298-V377 HydrophobicContact CB-CG1 4.15Å; R298-V377 HydrophobicContact CB-CG2 4.42Å
299H90.5Very high71.4Confident44 Ų4469.5 Ų69.520%0.20443%0.429CS..PPolyproline II helixtrans-64.7152.5170.4-66.2-52.2000111.2V297 V377 V394V297-H299 PolarHBondContact O-N 2.97Å; V297-H299 VanDerWaalsContact O-N 3.17Å; H299-V377 WeakPolarHBondContact O-CG1 3.39Å; H299-V394 HydrophobicContact CB-CG2 4.06Å
300P93.6Very high74.2Confident5 Ų567.1 Ų67.13%0.03241%0.413CS..PPolyproline II helixtrans-59.9150.8178.124.6-34.4000111.7V302 V315 V377 P379 A439 V441P300-V302 PolarHBondContact O-N 2.88Å; P300-V315 HydrophobicContact CB-CG1 4.24Å; P300-V377 WeakPolarHBondContact CA-O 3.41Å; P300-P379 HydrophobicContact CB-CB 3.87Å; P300-P379 HydrophobicContact CB-CG 3.68Å; P300-P379 HydrophobicContact CG-CB 4.37Å; P300-P379 HydrophobicContact CG-CG 4.41Å; P300-A439 HydrophobicContact CG-CB 3.74Å; P300-V441 HydrophobicContact CG-CG1 3.63Å
301T94.6Very high76.8Confident18 Ų1864.9 Ų64.911%0.1139%0.389CS..PPolyproline II helixtrans-67.6117.8172.6-65.70000109.6A316 F339 A376 V377T301-A316 HydrophobicContact CG2-CB 4.33Å; T301-A316 WeakPolarHBondContact O-CB 3.42Å; T301-A316 PolarHBondContact O-N 2.9Å; T301-F339 HydrophobicContact CG2-CD1 3.64Å; T301-F339 HydrophobicContact CG2-CE1 3.85Å; T301-A376 HydrophobicContact CG2-CB 4.2Å; T301-A376 WeakPolarHBondContact OG1-CA 3.41Å; T301-V377 PolarHBondContact N-O 3.22Å; T301-V377 PolarHBondContact OG1-N 3.48Å
302V95.2Very high79.8Confident8 Ų860.4 Ų60.45%0.04835%0.352CS..EExtended strand (participates in β ladder)trans-111.7134.8174.1-179.30000108.6P300 G314 V315 V394 Y396 A439P300-V302 PolarHBondContact O-N 2.88Å; V302-G314 CarbonylContact C-O 3.48Å; V302-G314 WeakPolarHBondContact CA-O 3.48Å; V302-G314 VanDerWaalsContact CG1-O 3.32Å; V302-G314 WeakPolarHBondContact CG1-O 3.49Å; V302-V315 HydrophobicContact CG2-CG2 4.38Å; V302-V394 HydrophobicContact CB-CG1 4.27Å; V302-V394 HydrophobicContact CG2-CB 4.07Å; V302-V394 HydrophobicContact CG2-CG1 3.78Å; V302-Y396 HydrophobicContact CB-CE2 4.45Å; V302-Y396 HydrophobicContact CG1-CD2 4.04Å; V302-Y396 HydrophobicContact CG1-CE2 3.99Å; V302-Y396 VanDerWaalsContact O-CE2 3.31Å; V302-Y396 WeakPolarHBondContact O-CE2 3.43Å; V302-Y396 PolarHBondContact O-OH 2.61Å; V302-A439 HydrophobicContact CG2-CB 4.07Å
303C95.3Very high82.8Confident0 Ų050.9 Ų50.90%031%0.307CS..EExtended strand (participates in β ladder)trans-108.5154175.763.10000111.8S313 G314 L337 K338 F339C303-S313 CarbonylContact O-C 3.5Å; C303-S313 WeakPolarHBondContact O-CA 3.48Å; C303-G314 PolarHBondContact N-O 2.86Å; C303-G314 PolarHBondContact O-N 2.95Å; C303-G314 PolarHBondContact SG-O 2.82Å; C303-L337 HydrophobicContact CB-CB 4.44Å; C303-K338 WeakPolarHBondContact CA-O 3.3Å; C303-F339 HydrophobicContact CB-CD1 3.8Å; C303-F339 HydrophobicContact CB-CD2 4.3Å; C303-F339 HydrophobicContact CB-CE1 3.52Å; C303-F339 HydrophobicContact CB-CE2 4.03Å; C303-F339 HydrophobicContact CB-CG 4.19Å; C303-F339 HydrophobicContact CB-CZ 3.62Å
304F95.7Very high85.7Confident11 Ų1148.7 Ų48.75%0.04828%0.284CS..EExtended strand (participates in β ladder)trans-75.3129.9163.3-177.3-87.7000108D306 W311 L337 K338 Y396 R401F304-D306 HydrophobicContact CD1-CB 4.07Å; F304-D306 HydrophobicContact CE1-CB 3.69Å; F304-W311 HydrophobicContact CD2-CE3 4.03Å; F304-W311 HydrophobicContact CD2-CZ3 4.44Å; F304-W311 HydrophobicContact CE1-CB 3.97Å; F304-W311 HydrophobicContact CE2-CB 4.21Å; F304-W311 AromaticContact CE2-CD2 3.74Å; F304-W311 HydrophobicContact CE2-CD2 3.74Å; F304-W311 AromaticContact CE2-CE3 3.23Å; F304-W311 HydrophobicContact CE2-CE3 3.23Å; F304-W311 HydrophobicContact CE2-CG 4.16Å; F304-W311 AromaticContact CE2-CZ3 3.8Å; F304-W311 HydrophobicContact CE2-CZ3 3.8Å; F304-W311 HydrophobicContact CZ-CB 3.53Å; F304-W311 AromaticContact CZ-CD2 3.82Å; F304-W311 HydrophobicContact CZ-CD2 3.82Å; F304-W311 AromaticContact CZ-CE3 3.77Å; F304-W311 HydrophobicContact CZ-CE3 3.77Å; F304-W311 AromaticContact CZ-CG 3.73Å; F304-W311 HydrophobicContact CZ-CG 3.73Å; F304-L337 CarbonylContact O-C 3.5Å; F304-L337 VanDerWaalsContact O-CA 3.26Å; F304-L337 WeakPolarHBondContact O-CA 3.45Å; F304-K338 HydrophobicContact CB-CB 4.01Å; F304-K338 HydrophobicContact CB-CG 4.42Å; F304-K338 HydrophobicContact CD1-CD 4.11Å; F304-K338 HydrophobicContact CD1-CG 4.11Å; F304-K338 PolarHBondContact N-O 3.16Å; F304-K338 PolarHBondContact O-N 3.49Å; F304-Y396 HydrophobicContact CB-CD1 3.78Å; F304-Y396 HydrophobicContact CB-CD2 4.25Å; F304-Y396 HydrophobicContact CB-CE1 3.79Å; F304-Y396 HydrophobicContact CB-CE2 4.31Å; F304-Y396 HydrophobicContact CB-CG 4Å; F304-Y396 AromaticContact CD2-CD1 3.84Å; F304-Y396 HydrophobicContact CD2-CD1 3.84Å; F304-Y396 HydrophobicContact CD2-CG 4.02Å; F304-Y396 HydrophobicContact CG-CD1 4.32Å; F304-R401 HydrophobicContact CE2-CB 4.23Å; F304-R401 HydrophobicContact CZ-CB 4.47Å
305V96.3Very high88.5Confident0 Ų043.1 Ų43.10%025%0.248CC..EExtended strand (participates in β ladder)trans-108.5123177.5-1760000108.4W311 G312 V328 V335 L337 I367V305-W311 CarbonylContact O-C 3.59Å; V305-W311 WeakPolarHBondContact O-CA 3.09Å; V305-W311 WeakPolarHBondContact O-CB 3.39Å; V305-G312 PolarHBondContact N-O 3.23Å; V305-G312 PolarHBondContact O-N 2.85Å; V305-V328 HydrophobicContact CB-CG1 3.69Å; V305-V328 HydrophobicContact CG1-CG1 3.73Å; V305-V335 HydrophobicContact CG1-CB 4.37Å; V305-V335 HydrophobicContact CG1-CG2 4.18Å; V305-L337 HydrophobicContact CB-CD2 4.09Å; V305-L337 HydrophobicContact CG1-CD2 3.9Å; V305-L337 HydrophobicContact CG2-CD2 3.78Å; V305-I367 HydrophobicContact CG1-CD1 4.17Å
306D95.3Very high90.8Very high43 Ų4338.8 Ų38.823%0.2321%0.212CC..EExtended strand (participates in β ladder)trans-119.6113.8-177.7-161.4-19.9000110.7F304 G308 V335 T336 K338F304-D306 HydrophobicContact CD1-CB 4.07Å; F304-D306 HydrophobicContact CE1-CB 3.69Å; D306-G308 WeakPolarHBondContact OD1-CA 3.23Å; D306-G308 PolarHBondContact OD1-N 2.76Å; D306-V335 WeakPolarHBondContact O-CB 3.48Å; D306-T336 WeakPolarHBondContact CB-O 3.26Å; D306-T336 PolarHBondContact N-O 2.9Å; D306-T336 PolarHBondContact O-N 3.39Å; D306-K338 IonicContact OD2-NZ 3.54Å; D306-K338 PolarHBondContact OD2-NZ 2.91Å
307S93.6Very high92.5Very high12 Ų1235.6 Ų35.68%0.08419%0.185CC..  trans-99.45.3173.568.50000113H309 A310 V328 I329S307-H309 PolarHBondContact O-N 2.58Å; S307-A310 PolarHBondContact N-O 2.88Å; S307-A310 PolarHBondContact OG-N 2.89Å; S307-A310 VanDerWaalsContact OG-N 3.14Å; S307-A310 PolarHBondContact OG-O 3.27Å; S307-V328 WeakPolarHBondContact CB-O 3Å; S307-V328 PolarHBondContact OG-O 3.19Å; S307-I329 WeakPolarHBondContact CB-O 3.36Å
308G89.9Confident93.6Very high66 Ų6634.1 Ų34.168%0.6818%0.178SC*.SBendtrans75.5-27.2-173.300000114.8D306D306-G308 WeakPolarHBondContact OD1-CA 3.23Å; D306-G308 PolarHBondContact OD1-N 2.76Å
309H83.3Confident93.9Very high147 Ų14727 Ų2768%0.68116%0.162SC*.SBendtrans-104.5-34.1177.7-65.163.2000112.2S307 K332S307-H309 PolarHBondContact O-N 2.58Å; H309-K332 PolarHBondContact CE1-NZ 2.96Å; H309-K332 WeakPolarHBondContact ND1-CE 3.26Å
310A89.1Confident94.1Very high28 Ų2825.6 Ų25.623%0.23116%0.159CC..  trans-136.1158.1176.600000108.9S307S307-A310 PolarHBondContact N-O 2.88Å; S307-A310 PolarHBondContact OG-N 2.89Å; S307-A310 VanDerWaalsContact OG-N 3.14Å; S307-A310 PolarHBondContact OG-O 3.27Å
311W93.3Very high94.3Very high97 Ų9725.4 Ų25.437%0.36716%0.158SC..EExtended strand (participates in β ladder)trans-140.4159.1175.465.8-92.2000110.6F304 V305 Y396F304-W311 HydrophobicContact CD2-CE3 4.03Å; F304-W311 HydrophobicContact CD2-CZ3 4.44Å; F304-W311 HydrophobicContact CE1-CB 3.97Å; F304-W311 HydrophobicContact CE2-CB 4.21Å; F304-W311 AromaticContact CE2-CD2 3.74Å; F304-W311 HydrophobicContact CE2-CD2 3.74Å; F304-W311 AromaticContact CE2-CE3 3.23Å; F304-W311 HydrophobicContact CE2-CE3 3.23Å; F304-W311 HydrophobicContact CE2-CG 4.16Å; F304-W311 AromaticContact CE2-CZ3 3.8Å; F304-W311 HydrophobicContact CE2-CZ3 3.8Å; F304-W311 HydrophobicContact CZ-CB 3.53Å; F304-W311 AromaticContact CZ-CD2 3.82Å; F304-W311 HydrophobicContact CZ-CD2 3.82Å; F304-W311 AromaticContact CZ-CE3 3.77Å; F304-W311 HydrophobicContact CZ-CE3 3.77Å; F304-W311 AromaticContact CZ-CG 3.73Å; F304-W311 HydrophobicContact CZ-CG 3.73Å; V305-W311 CarbonylContact O-C 3.59Å; V305-W311 WeakPolarHBondContact O-CA 3.09Å; V305-W311 WeakPolarHBondContact O-CB 3.39Å; W311-Y396 WeakPolarHBondContact CZ3-O 3.27Å
312G95.1Very high94.5Very high0 Ų024.6 Ų24.60%015%0.153CC..EExtended strand (participates in β ladder)trans-170.5-152.1-179.200000111.9V305 G434V305-G312 PolarHBondContact N-O 3.23Å; V305-G312 PolarHBondContact O-N 2.85Å; G312-G434 CarbonylContact C-O 3.46Å; G312-G434 VanDerWaalsContact C-O 3.26Å; G312-G434 VanDerWaalsContact CA-O 3.28Å; G312-G434 WeakPolarHBondContact CA-O 3.39Å
313S97.4Very high94.6Very high0 Ų024.6 Ų24.60%015%0.152CC..EExtended strand (participates in β ladder)trans-114.3157.4-178.6-60.50000110.9C303 T324 G395 Y396 G434 S436 G437C303-S313 CarbonylContact O-C 3.5Å; C303-S313 WeakPolarHBondContact O-CA 3.48Å; S313-T324 WeakPolarHBondContact O-CB 3.35Å; S313-T324 PolarHBondContact O-OG1 2.84Å; S313-G395 WeakPolarHBondContact OG-CA 3.45Å; S313-Y396 PolarHBondContact OG-N 3.07Å; S313-G434 PolarHBondContact N-O 2.97Å; S313-G434 PolarHBondContact OG-O 3.17Å; S313-S436 PolarHBondContact N-O 3.12Å; S313-G437 CarbonylContact C-O 3.47Å; S313-G437 CarbonylContact O-C 3.58Å; S313-G437 VanDerWaalsContact O-C 3.27Å; S313-G437 WeakPolarHBondContact O-CA 3.24Å
314G97.6Very high94.8Very high0 Ų024.6 Ų24.60%015%0.152CC..EExtended strand (participates in β ladder)trans-144.6142.9172.300000110.6V302 C303 V323 G437V302-G314 CarbonylContact C-O 3.48Å; V302-G314 WeakPolarHBondContact CA-O 3.48Å; V302-G314 VanDerWaalsContact CG1-O 3.32Å; V302-G314 WeakPolarHBondContact CG1-O 3.49Å; C303-G314 PolarHBondContact N-O 2.86Å; C303-G314 PolarHBondContact O-N 2.95Å; C303-G314 PolarHBondContact SG-O 2.82Å; G314-V323 CarbonylContact C-O 3.56Å; G314-V323 WeakPolarHBondContact CA-O 3.47Å; G314-G437 WeakPolarHBondContact CA-O 3.35Å
315V98.3Very high94.9Very high0 Ų024 Ų240%015%0.15CC..EExtended strand (participates in β ladder)trans-101.3125.2-179.1-173.30000109.5P300 V302 V317 V322 V323 P379 A439 L448 I451P300-V315 HydrophobicContact CB-CG1 4.24Å; V302-V315 HydrophobicContact CG2-CG2 4.38Å; V315-V317 PolarHBondContact O-N 3.08Å; V315-V322 CarbonylContact O-C 3.52Å; V315-V322 VanDerWaalsContact O-CA 3.3Å; V315-V322 WeakPolarHBondContact O-CA 3.49Å; V315-V323 PolarHBondContact N-O 3.05Å; V315-V323 PolarHBondContact O-N 2.77Å; V315-P379 HydrophobicContact CG1-CG 4.29Å; V315-A439 HydrophobicContact CG1-CB 4.25Å; V315-A439 HydrophobicContact CG2-CB 3.63Å; V315-L448 HydrophobicContact CG1-CD1 4.46Å; V315-L448 HydrophobicContact CG1-CD2 4.38Å; V315-I451 HydrophobicContact CB-CD1 4.02Å; V315-I451 HydrophobicContact CG2-CD1 3.57Å
316A97.2Very high95Very high3 Ų326.4 Ų26.43%0.02516%0.159CC..EExtended strand (participates in β ladder)trans-67.5119.5170.600000109.8T301 V322 A376 I378 P379T301-A316 HydrophobicContact CG2-CB 4.33Å; T301-A316 WeakPolarHBondContact O-CB 3.42Å; T301-A316 PolarHBondContact O-N 2.9Å; A316-V322 HydrophobicContact CB-CG2 4.42Å; A316-A376 HydrophobicContact CB-CB 4.21Å; A316-I378 HydrophobicContact CB-CD1 3.97Å; A316-P379 VanDerWaalsContact O-CD 3.27Å; A316-P379 WeakPolarHBondContact O-CD 3.43Å
317V96.4Very high95Very high6 Ų628.5 Ų28.54%0.03617%0.167CC..EExtended strand (participates in β ladder)trans-110.9-6.9179.5-60.60000112.7V315 L321 V323 I378 M381 L481V315-V317 PolarHBondContact O-N 3.08Å; V317-L321 HydrophobicContact CG2-CB 3.87Å; V317-L321 PolarHBondContact N-O 3.21Å; V317-V323 HydrophobicContact CB-CG2 4.5Å; V317-V323 HydrophobicContact CG1-CB 4.2Å; V317-V323 HydrophobicContact CG1-CG2 3.82Å; V317-V323 HydrophobicContact CG2-CG2 3.88Å; V317-I378 WeakPolarHBondContact O-CG2 3.41Å; V317-M381 HydrophobicContact CB-CE 4.21Å; V317-M381 HydrophobicContact CG1-CE 3.77Å; V317-L481 HydrophobicContact CB-CD2 3.72Å; V317-L481 HydrophobicContact CG1-CD2 4.37Å; V317-L481 HydrophobicContact CG2-CD1 3.86Å; V317-L481 HydrophobicContact CG2-CD2 3.68Å; V317-L481 HydrophobicContact CG2-CG 4.43Å
318S94.3Very high95.1Very high29 Ų2928 Ų2820%0.20316%0.164CC..EExtended strand (participates in β ladder)trans-157.2177.1161.674.60000108.6G320 L321 I378S318-G320 PolarHBondContact O-N 3.45Å; S318-G320 VanDerWaalsContact O-N 3.07Å; S318-G320 PolarHBondContact OG-N 2.86Å; S318-L321 PolarHBondContact N-O 2.55Å; S318-L321 PolarHBondContact O-N 2.69Å; S318-L321 VanDerWaalsContact OG-CB 3.26Å; S318-L321 WeakPolarHBondContact OG-CB 3.41Å; S318-L321 WeakPolarHBondContact OG-CG 3.29Å; S318-L321 PolarHBondContact OG-N 3.06Å; S318-L321 VanDerWaalsContact OG-N 3.16Å; S318-I378 VanDerWaalsContact C-CD1 3.43Å
319A90.5Very high95.4Very high50 Ų5024.9 Ų24.941%0.41313%0.131SC..THydrogen-bonded Turntrans-56.4-25.7178.200000114.1P372 V373A319-P372 HydrophobicContact CB-CB 4.47Å; A319-P372 CarbonylContact O-C 3.53Å; A319-P372 VanDerWaalsContact O-CA 3.28Å; A319-P372 WeakPolarHBondContact O-CA 3.21Å; A319-P372 WeakPolarHBondContact O-CB 3.41Å; A319-V373 PolarHBondContact O-N 2.87Å
320G94.9Very high95.9Very high14 Ų1420.8 Ų20.814%0.14412%0.119CC..THydrogen-bonded Turntrans-1247.9-178.500000114.9S318 E368 L369S318-G320 PolarHBondContact O-N 3.45Å; S318-G320 VanDerWaalsContact O-N 3.07Å; S318-G320 PolarHBondContact OG-N 2.86Å; G320-E368 WeakPolarHBondContact O-CA 3.29Å; G320-L369 PolarHBondContact O-N 2.9Å
321L97.1Very high96.1Very high2 Ų222.8 Ų22.81%0.0114%0.143CC..EExtended strand (participates in β ladder)trans-128.1136.1-176.7-61.6170.9000111.7V317 S318 L353 L366 I367 E368 L481 F484 Q485V317-L321 HydrophobicContact CG2-CB 3.87Å; V317-L321 PolarHBondContact N-O 3.21Å; S318-L321 PolarHBondContact N-O 2.55Å; S318-L321 PolarHBondContact O-N 2.69Å; S318-L321 VanDerWaalsContact OG-CB 3.26Å; S318-L321 WeakPolarHBondContact OG-CB 3.41Å; S318-L321 WeakPolarHBondContact OG-CG 3.29Å; S318-L321 PolarHBondContact OG-N 3.06Å; S318-L321 VanDerWaalsContact OG-N 3.16Å; L321-L353 HydrophobicContact CD2-CD1 4.26Å; L321-L366 HydrophobicContact CB-CD1 4.39Å; L321-I367 WeakPolarHBondContact CA-O 3.28Å; L321-E368 HydrophobicContact CD2-CB 3.94Å; L321-E368 HydrophobicContact CD2-CG 4.13Å; L321-L481 HydrophobicContact CD1-CD1 4.14Å; L321-F484 HydrophobicContact CD1-CD1 3.94Å; L321-F484 HydrophobicContact CD1-CE1 3.72Å; L321-F484 HydrophobicContact CD2-CE1 3.9Å; L321-F484 HydrophobicContact CG-CE1 4.47Å; L321-Q485 HydrophobicContact CD1-CG 4.37Å
322V98.3Very high96.3Very high1 Ų122.1 Ų22.11%0.00614%0.143CC..EExtended strand (participates in β ladder)trans-124.1137.3175.7165.10000110V315 A316 L337 F339 I367 L369V315-V322 CarbonylContact O-C 3.52Å; V315-V322 VanDerWaalsContact O-CA 3.3Å; V315-V322 WeakPolarHBondContact O-CA 3.49Å; A316-V322 HydrophobicContact CB-CG2 4.42Å; V322-L337 HydrophobicContact CB-CD1 4.39Å; V322-L337 HydrophobicContact CG2-CD1 4.09Å; V322-F339 HydrophobicContact CG2-CZ 4.37Å; V322-I367 HydrophobicContact CB-CB 4.3Å; V322-I367 PolarHBondContact N-O 2.87Å; V322-I367 PolarHBondContact O-N 3.19Å; V322-L369 HydrophobicContact CB-CD1 4.24Å; V322-L369 HydrophobicContact CG2-CD1 3.7Å
323V98.5Very high96.3Very high7 Ų726.8 Ų26.84%0.04218%0.175CC..EExtended strand (participates in β ladder)trans-103.4133.4168.1175.40000108.7G314 V315 V317 L364 L366 I451 F477G314-V323 CarbonylContact C-O 3.56Å; G314-V323 WeakPolarHBondContact CA-O 3.47Å; V315-V323 PolarHBondContact N-O 3.05Å; V315-V323 PolarHBondContact O-N 2.77Å; V317-V323 HydrophobicContact CB-CG2 4.5Å; V317-V323 HydrophobicContact CG1-CB 4.2Å; V317-V323 HydrophobicContact CG1-CG2 3.82Å; V317-V323 HydrophobicContact CG2-CG2 3.88Å; V323-L364 HydrophobicContact CG1-CD2 3.75Å; V323-L366 HydrophobicContact CG2-CD1 3.98Å; V323-I451 HydrophobicContact CG1-CD1 4.26Å; V323-I451 HydrophobicContact CG1-CG1 3.99Å; V323-F477 HydrophobicContact CG2-CD2 4.5Å; V323-F477 HydrophobicContact CG2-CE2 4.43Å
324T98.5Very high96.3Very high0 Ų028.7 Ų28.70%019%0.189CC..EExtended strand (participates in β ladder)trans-141.5-177.7175.6-173.50000110.3S313 I329 L364 A365 I367S313-T324 WeakPolarHBondContact O-CB 3.35Å; S313-T324 PolarHBondContact O-OG1 2.84Å; T324-I329 HydrophobicContact CG2-CG2 3.84Å; T324-L364 CarbonylContact O-C 3.6Å; T324-L364 WeakPolarHBondContact O-CA 3.43Å; T324-A365 HydrophobicContact CG2-CB 4.11Å; T324-A365 PolarHBondContact N-O 3.15Å; T324-A365 PolarHBondContact O-N 3.04Å; T324-I367 HydrophobicContact CG2-CD1 3.4Å; T324-I367 VanDerWaalsContact CG2-CD1 3.4Å; T324-I367 HydrophobicContact CG2-CG1 4.27Å
325C98.3Very high96.3Very high0 Ų028.8 Ų28.80%019%0.189CC..  trans-78.4143170.8-79.90000111.8H327 V328 D363 G437 V452C325-H327 VanDerWaalsContact C-N 3.32Å; C325-H327 PolarHBondContact O-N 3Å; C325-V328 HydrophobicContact CB-CB 4.38Å; C325-V328 HydrophobicContact CB-CG2 3.77Å; C325-V328 WeakPolarHBondContact O-CB 3.49Å; C325-V328 PolarHBondContact O-N 2.94Å; C325-D363 WeakPolarHBondContact CA-O 3.25Å; C325-D363 VanDerWaalsContact CB-OD2 3.28Å; C325-D363 WeakPolarHBondContact CB-OD2 3.41Å; C325-G437 PolarHBondContact SG-N 3.3Å; C325-V452 PolarHBondContact SG-O 3.25Å
326R97.8Very high96.2Very high49 Ų4931.2 Ų31.219%0.18520%0.204CC..Hα-helixtrans-63.6-38.7176.3162.6-165.969.2-157.6-4.8111.9V328 I329 S330 T356 K357 D363R326-V328 PolarHBondContact O-N 3.28Å; R326-I329 WeakPolarHBondContact O-CG1 3.29Å; R326-I329 PolarHBondContact O-N 3.22Å; R326-S330 PolarHBondContact O-N 3.27Å; R326-T356 WeakPolarHBondContact CD-O 3.44Å; R326-T356 PolarHBondContact NH1-O 3.49Å; R326-T356 PolarHBondContact NH1-OG1 3.39Å; R326-K357 PolarHBondContact NH1-O 2.76Å; R326-D363 WeakPolarHBondContact CB-OD1 3.4Å; R326-D363 IonicContact CZ-OD1 2.76Å; R326-D363 PolarHBondContact N-OD2 3.15Å; R326-D363 VanDerWaalsContact N-OD2 3.15Å; R326-D363 IonicContact NE-OD1 2.99Å; R326-D363 PolarHBondContact NE-OD1 2.92Å; R326-D363 IonicContact NH2-OD1 3.56Å; R326-D363 PolarHBondContact NH2-OD1 2.8Å
327H95.9Very high96.1Very high87 Ų8731 Ų3140%0.40320%0.203SC..Hα-helixtrans-64.2-23.4179.270.7-96.6000112.7C325 S330 D363 S436C325-H327 VanDerWaalsContact C-N 3.32Å; C325-H327 PolarHBondContact O-N 3Å; H327-S330 PolarHBondContact O-N 3.19Å; H327-D363 IonicContact CE1-OD2 3.09Å; H327-D363 IonicContact CG-OD2 2.68Å; H327-D363 PolarHBondContact N-OD2 3.05Å; H327-D363 VanDerWaalsContact N-OD2 3.13Å; H327-D363 IonicContact ND1-OD2 3.52Å; H327-D363 PolarHBondContact ND1-OD2 3.17Å; H327-S436 VanDerWaalsContact NE2-CB 3.29Å; H327-S436 WeakPolarHBondContact NE2-CB 3.35Å; H327-S436 PolarHBondContact NE2-OG 3.47Å
328V96.2Very high96Very high1 Ų131.1 Ų31.11%0.00620%0.203CC..Hα-helixtrans-70.4-39.7178.1173.50000111.5V305 S307 C325 R326 S330V305-V328 HydrophobicContact CB-CG1 3.69Å; V305-V328 HydrophobicContact CG1-CG1 3.73Å; S307-V328 WeakPolarHBondContact CB-O 3Å; S307-V328 PolarHBondContact OG-O 3.19Å; C325-V328 HydrophobicContact CB-CB 4.38Å; C325-V328 HydrophobicContact CB-CG2 3.77Å; C325-V328 WeakPolarHBondContact O-CB 3.49Å; C325-V328 PolarHBondContact O-N 2.94Å; R326-V328 PolarHBondContact O-N 3.28Å; V328-S330 VanDerWaalsContact C-N 3.28Å; V328-S330 PolarHBondContact O-N 3.23Å
329I96.4Very high95.9Very high1 Ų129.8 Ų29.81%0.00519%0.193CC..Hα-helixtrans-75.1-17.417764.4151.2000113.1S307 T324 R326 G331 K332 V335 V352 A365 I367S307-I329 WeakPolarHBondContact CB-O 3.36Å; T324-I329 HydrophobicContact CG2-CG2 3.84Å; R326-I329 WeakPolarHBondContact O-CG1 3.29Å; R326-I329 PolarHBondContact O-N 3.22Å; I329-G331 VanDerWaalsContact C-N 3.26Å; I329-G331 PolarHBondContact O-N 3.4Å; I329-G331 VanDerWaalsContact O-N 3.12Å; I329-K332 WeakPolarHBondContact O-CB 3.34Å; I329-K332 WeakPolarHBondContact O-CG 3.47Å; I329-K332 PolarHBondContact O-N 2.84Å; I329-V335 HydrophobicContact CB-CG1 4.28Å; I329-V335 HydrophobicContact CG2-CG1 4.21Å; I329-V352 HydrophobicContact CB-CG2 4.38Å; I329-V352 HydrophobicContact CD1-CG1 3.63Å; I329-V352 HydrophobicContact CD1-CG2 4.23Å; I329-V352 HydrophobicContact CG2-CG2 4.21Å; I329-A365 HydrophobicContact CD1-CB 3.97Å; I329-A365 HydrophobicContact CG1-CB 4.19Å; I329-A365 HydrophobicContact CG2-CB 4.17Å; I329-I367 HydrophobicContact CG2-CD1 3.93Å; I329-I367 HydrophobicContact CG2-CG1 4.43Å
330S93.1Very high95.7Very high61 Ų6129.5 Ų29.543%0.42718%0.183SC..THydrogen-bonded Turntrans48.641.4176-152.80000114.6R326 H327 V328 K332R326-S330 PolarHBondContact O-N 3.27Å; H327-S330 PolarHBondContact O-N 3.19Å; V328-S330 VanDerWaalsContact C-N 3.28Å; V328-S330 PolarHBondContact O-N 3.23Å; S330-K332 PolarHBondContact O-N 3.18Å
331G93Very high94.7Very high71 Ų7130.9 Ų30.973%0.73219%0.186SC*.THydrogen-bonded Turntrans70.79.9177.800000115.7I329I329-G331 VanDerWaalsContact C-N 3.26Å; I329-G331 PolarHBondContact O-N 3.4Å; I329-G331 VanDerWaalsContact O-N 3.12Å
332K96.4Very high93.3Very high82 Ų8238.2 Ų38.236%0.35723%0.225SC..  trans-73.4147.5174.2-60-62.9-178.2-179.30111H309 I329 S330 S334 V335 V352H309-K332 PolarHBondContact CE1-NZ 2.96Å; H309-K332 WeakPolarHBondContact ND1-CE 3.26Å; I329-K332 WeakPolarHBondContact O-CB 3.34Å; I329-K332 WeakPolarHBondContact O-CG 3.47Å; I329-K332 PolarHBondContact O-N 2.84Å; S330-K332 PolarHBondContact O-N 3.18Å; K332-S334 WeakPolarHBondContact CB-O 3.25Å; K332-V335 HydrophobicContact CB-CG1 4.39Å; K332-V352 VanDerWaalsContact O-CG2 3.28Å; K332-V352 WeakPolarHBondContact O-CG2 3.43Å
333S96.3Very high92Very high98 Ų9842.3 Ų42.369%0.68527%0.267SS*.SBendtrans-83.6-17.8172.852.80000113.3V352S333-V352 PolarHBondContact O-N 2.73Å
334S97.3Very high91Very high40 Ų4051.6 Ų51.628%0.2830%0.302SS..EExtended strand (participates in β ladder)trans-144147.8176.5179.50000110.1K332 V349 A350K332-S334 WeakPolarHBondContact CB-O 3.25Å; S334-V349 WeakPolarHBondContact OG-CG1 3.47Å; S334-A350 CarbonylContact C-O 3.53Å; S334-A350 WeakPolarHBondContact CA-O 3.43Å; S334-A350 WeakPolarHBondContact CB-O 3.44Å; S334-A350 PolarHBondContact OG-O 2.82Å
335V97.6Very high90.5Very high3 Ų355.3 Ų55.32%0.01832%0.324CS..EExtended strand (participates in β ladder)trans-138160.7-177.8-64.80000110.3V305 D306 I329 K332 L337 A350 V352 I367V305-V335 HydrophobicContact CG1-CB 4.37Å; V305-V335 HydrophobicContact CG1-CG2 4.18Å; D306-V335 WeakPolarHBondContact O-CB 3.48Å; I329-V335 HydrophobicContact CB-CG1 4.28Å; I329-V335 HydrophobicContact CG2-CG1 4.21Å; K332-V335 HydrophobicContact CB-CG1 4.39Å; V335-L337 HydrophobicContact CG2-CD2 3.97Å; V335-A350 HydrophobicContact CG2-CB 4.43Å; V335-A350 PolarHBondContact N-O 2.9Å; V335-A350 PolarHBondContact O-N 2.98Å; V335-V352 HydrophobicContact CG1-CG2 4.32Å; V335-I367 HydrophobicContact CG2-CD1 3.86Å; V335-I367 HydrophobicContact CG2-CG1 4.43Å; V335-I367 HydrophobicContact CG2-CG2 4.21Å
336T96.6Very high90.1Very high50 Ų5059.4 Ų59.431%0.30734%0.343SS..EExtended strand (participates in β ladder)trans-100.3126.9171.4-570000109.5D306 D347D306-T336 WeakPolarHBondContact CB-O 3.26Å; D306-T336 PolarHBondContact N-O 2.9Å; D306-T336 PolarHBondContact O-N 3.39Å; T336-D347 HydrophobicContact CG2-CB 4.39Å
337L95.7Very high89.8Confident0 Ų061 Ų610%036%0.356CS..EExtended strand (participates in β ladder)trans-102.3139.9175-54.7-172.6000109.7C303 F304 V305 V322 V335 F339 D347 V348 A350 I367 L369C303-L337 HydrophobicContact CB-CB 4.44Å; F304-L337 CarbonylContact O-C 3.5Å; F304-L337 VanDerWaalsContact O-CA 3.26Å; F304-L337 WeakPolarHBondContact O-CA 3.45Å; V305-L337 HydrophobicContact CB-CD2 4.09Å; V305-L337 HydrophobicContact CG1-CD2 3.9Å; V305-L337 HydrophobicContact CG2-CD2 3.78Å; V322-L337 HydrophobicContact CB-CD1 4.39Å; V322-L337 HydrophobicContact CG2-CD1 4.09Å; V335-L337 HydrophobicContact CG2-CD2 3.97Å; L337-F339 HydrophobicContact CB-CD2 4.42Å; L337-F339 HydrophobicContact CB-CE2 3.71Å; L337-F339 HydrophobicContact CB-CZ 4.36Å; L337-F339 HydrophobicContact CD1-CE2 4.2Å; L337-F339 HydrophobicContact CD1-CZ 4.21Å; L337-D347 CarbonylContact O-C 3.55Å; L337-D347 WeakPolarHBondContact O-CA 3.19Å; L337-V348 HydrophobicContact CB-CB 4.49Å; L337-V348 PolarHBondContact N-O 2.83Å; L337-V348 PolarHBondContact O-N 2.86Å; L337-A350 HydrophobicContact CD1-CB 3.81Å; L337-A350 HydrophobicContact CG-CB 3.94Å; L337-I367 HydrophobicContact CD1-CG2 4.17Å; L337-I367 HydrophobicContact CD2-CD1 4.45Å; L337-L369 HydrophobicContact CD1-CD1 3.59Å; L337-L369 HydrophobicContact CD1-CG 3.92Å
338K93.8Very high89.8Confident7 Ų757.1 Ų57.13%0.0334%0.338CS..EExtended strand (participates in β ladder)trans-121.7121174.6-40.6-172.6169.9125.30110.2C303 F304 D306 V345 Q346 D347 Y396 R401C303-K338 WeakPolarHBondContact CA-O 3.3Å; F304-K338 HydrophobicContact CB-CB 4.01Å; F304-K338 HydrophobicContact CB-CG 4.42Å; F304-K338 HydrophobicContact CD1-CD 4.11Å; F304-K338 HydrophobicContact CD1-CG 4.11Å; F304-K338 PolarHBondContact N-O 3.16Å; F304-K338 PolarHBondContact O-N 3.49Å; D306-K338 IonicContact OD2-NZ 3.54Å; D306-K338 PolarHBondContact OD2-NZ 2.91Å; K338-V345 HydrophobicContact CB-CG1 4.09Å; K338-Q346 CarbonylContact C-O 3.56Å; K338-Q346 WeakPolarHBondContact CA-O 3.46Å; K338-D347 WeakPolarHBondContact CB-OD1 3.41Å; K338-D347 WeakPolarHBondContact CD-OD1 3.44Å; K338-D347 WeakPolarHBondContact CG-OD1 3.44Å; K338-Y396 PolarHBondContact O-OH 3.44Å; K338-R401 HydrophobicContact CD-CG 4.03Å; K338-R401 VanDerWaalsContact CD-NE 3.27Å; K338-R401 VanDerWaalsContact CE-CZ 3.43Å; K338-R401 VanDerWaalsContact CE-NE 3.34Å; K338-R401 VanDerWaalsContact NZ-CZ 3.28Å
339F91.3Very high89.8Confident2 Ų259.8 Ų59.81%0.00935%0.354CS..EExtended strand (participates in β ladder)trans-104.2124.8179.3-66.8-92.7000109.5T301 C303 V322 L337 V345 Q346 V348 L369 V373T301-F339 HydrophobicContact CG2-CD1 3.64Å; T301-F339 HydrophobicContact CG2-CE1 3.85Å; C303-F339 HydrophobicContact CB-CD1 3.8Å; C303-F339 HydrophobicContact CB-CD2 4.3Å; C303-F339 HydrophobicContact CB-CE1 3.52Å; C303-F339 HydrophobicContact CB-CE2 4.03Å; C303-F339 HydrophobicContact CB-CG 4.19Å; C303-F339 HydrophobicContact CB-CZ 3.62Å; V322-F339 HydrophobicContact CG2-CZ 4.37Å; L337-F339 HydrophobicContact CB-CD2 4.42Å; L337-F339 HydrophobicContact CB-CE2 3.71Å; L337-F339 HydrophobicContact CB-CZ 4.36Å; L337-F339 HydrophobicContact CD1-CE2 4.2Å; L337-F339 HydrophobicContact CD1-CZ 4.21Å; F339-V345 CarbonylContact O-C 3.53Å; F339-V345 WeakPolarHBondContact O-CA 3.23Å; F339-Q346 HydrophobicContact CB-CB 4.47Å; F339-Q346 PolarHBondContact N-O 2.87Å; F339-Q346 PolarHBondContact O-N 3.32Å; F339-V348 HydrophobicContact CD2-CG2 4.07Å; F339-V348 HydrophobicContact CE2-CB 4.28Å; F339-V348 HydrophobicContact CE2-CG2 4.14Å; F339-L369 HydrophobicContact CE2-CD2 3.99Å; F339-L369 HydrophobicContact CZ-CD2 3.82Å; F339-V373 HydrophobicContact CD1-CG2 4.29Å; F339-V373 HydrophobicContact CD2-CG2 3.94Å; F339-V373 HydrophobicContact CE1-CG2 4.16Å; F339-V373 HydrophobicContact CE2-CG2 3.82Å; F339-V373 HydrophobicContact CG-CG2 4.18Å; F339-V373 HydrophobicContact CZ-CG2 3.96Å
340H86.6Confident89.8Confident44 Ų4459.8 Ų59.820%0.20435%0.354CS..EExtended strand (participates in β ladder)trans-100108.9174.2-66.566.4000108.3R344 Y396 R401 G404H340-R344 WeakPolarHBondContact CA-O 3.32Å; H340-Y396 AromaticContact CE1-CE1 3.58Å; H340-Y396 AromaticContact ND1-CE1 3.36Å; H340-Y396 WeakPolarHBondContact ND1-CE1 3.48Å; H340-Y396 AromaticContact ND1-CZ 3.6Å; H340-Y396 PolarHBondContact ND1-OH 2.76Å; H340-R401 PolarHBondContact NE2-O 3.26Å; H340-R401 VanDerWaalsContact NE2-O 3.09Å; H340-G404 VanDerWaalsContact CD2-CA 3.43Å; H340-G404 WeakPolarHBondContact CD2-CA 3.31Å; H340-G404 PolarHBondContact CD2-N 3.27Å; H340-G404 VanDerWaalsContact CG-CA 3.46Å
341Q74.6Confident90.1Very high42 Ų4259.5 Ų59.520%0.19635%0.348CS..EExtended strand (participates in β ladder)trans-134.8124.7-179.3-69.7-179.6-9.200108.8G343 R344Q341-G343 VanDerWaalsContact C-N 3.26Å; Q341-G343 PolarHBondContact O-N 3.23Å; Q341-G343 VanDerWaalsContact O-N 3.12Å; Q341-R344 PolarHBondContact N-O 3.1Å; Q341-R344 WeakPolarHBondContact O-CA 3.5Å; Q341-R344 WeakPolarHBondContact O-CB 3.3Å; Q341-R344 PolarHBondContact O-N 2.73Å
342D68.1Low90.3Very high156 Ų15657.5 Ų57.583%0.83432%0.321SS*.THydrogen-bonded Turntrans4843.6175.6-58.7-23.6000114.7R344D342-R344 PolarHBondContact O-N 2.82Å
343G69.7Low90.4Very high87 Ų8755.9 Ų55.990%0.89732%0.316SS*.THydrogen-bonded Turntrans771.4179.700000114.9Q341Q341-G343 VanDerWaalsContact C-N 3.26Å; Q341-G343 PolarHBondContact O-N 3.23Å; Q341-G343 VanDerWaalsContact O-N 3.12Å
344R78.9Confident90.5Very high203 Ų20352.5 Ų52.577%0.76629%0.289SS*.EExtended strand (participates in β ladder)trans-102.2149174.1-60.5-179.3-177.9177.41.3110.7H340 Q341 D342H340-R344 WeakPolarHBondContact CA-O 3.32Å; Q341-R344 PolarHBondContact N-O 3.1Å; Q341-R344 WeakPolarHBondContact O-CA 3.5Å; Q341-R344 WeakPolarHBondContact O-CB 3.3Å; Q341-R344 PolarHBondContact O-N 2.73Å; D342-R344 PolarHBondContact O-N 2.82Å
345V87.4Confident90.5Very high78 Ų7853 Ų5347%0.47329%0.293SS..EExtended strand (participates in β ladder)trans-113.1119.4172.5-172.50000108.3K338 F339K338-V345 HydrophobicContact CB-CG1 4.09Å; F339-V345 CarbonylContact O-C 3.53Å; F339-V345 WeakPolarHBondContact O-CA 3.23Å
346Q89.4Confident90.5Very high85 Ų8553 Ų5340%0.39729%0.293SS..EExtended strand (participates in β ladder)trans-106.2120173.8-173.9-175.817.200109.3K338 F339 V348K338-Q346 CarbonylContact C-O 3.56Å; K338-Q346 WeakPolarHBondContact CA-O 3.46Å; F339-Q346 HydrophobicContact CB-CB 4.47Å; F339-Q346 PolarHBondContact N-O 2.87Å; F339-Q346 PolarHBondContact O-N 3.32Å; Q346-V348 HydrophobicContact CG-CG2 4.02Å
347D92.4Very high90.5Very high84 Ų8457.2 Ų57.245%0.44931%0.307SS..EExtended strand (participates in β ladder)trans-90.6130.5172.7-71.1-2000108.9T336 L337 K338 R401T336-D347 HydrophobicContact CG2-CB 4.39Å; L337-D347 CarbonylContact O-C 3.55Å; L337-D347 WeakPolarHBondContact O-CA 3.19Å; K338-D347 WeakPolarHBondContact CB-OD1 3.41Å; K338-D347 WeakPolarHBondContact CD-OD1 3.44Å; K338-D347 WeakPolarHBondContact CG-OD1 3.44Å; D347-R401 IonicContact OD2-NH2 3.2Å
348V94.4Very high90.3Very high4 Ų462.6 Ų62.62%0.02435%0.345CS..EExtended strand (participates in β ladder)trans-130.9129.1-178.2179.50000109L337 F339 Q346 L369 D371 V373L337-V348 HydrophobicContact CB-CB 4.49Å; L337-V348 PolarHBondContact N-O 2.83Å; L337-V348 PolarHBondContact O-N 2.86Å; F339-V348 HydrophobicContact CD2-CG2 4.07Å; F339-V348 HydrophobicContact CE2-CB 4.28Å; F339-V348 HydrophobicContact CE2-CG2 4.14Å; Q346-V348 HydrophobicContact CG-CG2 4.02Å; V348-L369 HydrophobicContact CG1-CB 4.16Å; V348-L369 HydrophobicContact CG1-CD2 4.24Å; V348-L369 HydrophobicContact CG1-CG 4.05Å; V348-D371 HydrophobicContact CG1-CB 4.34Å; V348-V373 HydrophobicContact CG2-CG2 4.5Å
349V96.6Very high90.2Very high58 Ų5865.4 Ų65.435%0.35237%0.365SS..EExtended strand (participates in β ladder)trans-81.9136.9171.3-177.30000109S334 R370S334-V349 WeakPolarHBondContact OG-CG1 3.47Å; V349-R370 WeakPolarHBondContact O-CB 3.29Å; V349-R370 WeakPolarHBondContact O-CG 3.47Å; V349-R370 PolarHBondContact O-N 2.82Å; V349-R370 VanDerWaalsContact O-N 3.14Å
350A97.6Very high90.4Very high0 Ų065.7 Ų65.70%037%0.367CS..EExtended strand (participates in β ladder)trans-137.8151.5-176.600000111.2S334 V335 L337 I367 E368S334-A350 CarbonylContact C-O 3.53Å; S334-A350 WeakPolarHBondContact CA-O 3.43Å; S334-A350 WeakPolarHBondContact CB-O 3.44Å; S334-A350 PolarHBondContact OG-O 2.82Å; V335-A350 HydrophobicContact CG2-CB 4.43Å; V335-A350 PolarHBondContact N-O 2.9Å; V335-A350 PolarHBondContact O-N 2.98Å; L337-A350 HydrophobicContact CD1-CB 3.81Å; L337-A350 HydrophobicContact CG-CB 3.94Å; A350-I367 HydrophobicContact CB-CG2 3.28Å; A350-E368 CarbonylContact C-O 3.6Å; A350-E368 VanDerWaalsContact CA-O 3.25Å; A350-E368 WeakPolarHBondContact CA-O 3.47Å; A350-E368 VanDerWaalsContact CB-O 3.29Å; A350-E368 WeakPolarHBondContact CB-O 3.12Å
351D98.3Very high90.7Very high56 Ų5664.4 Ų64.430%0.29936%0.363SS..EExtended strand (participates in β ladder)trans-104.4137-179.4-63.3-54.3000110L353 I367 E368 R370D351-L353 PolarHBondContact O-N 3.04Å; D351-I367 WeakPolarHBondContact O-CA 3.14Å; D351-E368 PolarHBondContact N-O 3.39Å; D351-E368 PolarHBondContact O-N 2.91Å; D351-R370 IonicContact OD1-CZ 3.69Å; D351-R370 IonicContact OD1-NE 3.44Å; D351-R370 PolarHBondContact OD1-NE 3.22Å; D351-R370 IonicContact OD1-NH2 3.61Å; D351-R370 PolarHBondContact OD1-NH2 3.32Å; D351-R370 IonicContact OD2-CZ 2.69Å; D351-R370 IonicContact OD2-NE 2.91Å; D351-R370 PolarHBondContact OD2-NE 3.44Å; D351-R370 IonicContact OD2-NH2 3.92Å
352V98.3Very high91.8Very high28 Ų2863.2 Ų63.217%0.1736%0.357CS..EExtended strand (participates in β ladder)trans-82.2108.6178.1178.60000108.2I329 K332 S333 V335 I367I329-V352 HydrophobicContact CB-CG2 4.38Å; I329-V352 HydrophobicContact CD1-CG1 3.63Å; I329-V352 HydrophobicContact CD1-CG2 4.23Å; I329-V352 HydrophobicContact CG2-CG2 4.21Å; K332-V352 VanDerWaalsContact O-CG2 3.28Å; K332-V352 WeakPolarHBondContact O-CG2 3.43Å; S333-V352 PolarHBondContact O-N 2.73Å; V335-V352 HydrophobicContact CG1-CG2 4.32Å; V352-I367 HydrophobicContact CG2-CG1 4.35Å
353L97.9Very high93.2Very high48 Ų4856.6 Ų56.625%0.25132%0.321SS..EExtended strand (participates in β ladder)trans-78.7-38.4179-62.2-169.7000112.2L321 D351 L366 E368 F484 V490L321-L353 HydrophobicContact CD2-CD1 4.26Å; D351-L353 PolarHBondContact O-N 3.04Å; L353-L366 HydrophobicContact CB-CD2 4.4Å; L353-L366 HydrophobicContact CD1-CD2 4.19Å; L353-L366 PolarHBondContact N-O 2.82Å; L353-E368 HydrophobicContact CD1-CB 3.62Å; L353-E368 HydrophobicContact CD1-CG 4.41Å; L353-E368 HydrophobicContact CD2-CB 3.98Å; L353-E368 HydrophobicContact CG-CB 3.67Å; L353-F484 HydrophobicContact CD1-CE1 4.09Å; L353-F484 HydrophobicContact CD1-CE2 4.24Å; L353-F484 HydrophobicContact CD1-CZ 3.46Å; L353-F484 VanDerWaalsContact CD1-CZ 3.46Å; L353-V490 WeakPolarHBondContact O-CG1 3.27Å
354F98.1Very high94.6Very high28 Ų2852.7 Ų52.712%0.12328%0.28CS..EExtended strand (participates in β ladder)trans-149.9145.7-175.9174.9-95.7000111.5T356 A365 L366 V490 F493 L496F354-T356 HydrophobicContact CE1-CG2 3.66Å; F354-T356 HydrophobicContact CZ-CG2 4.02Å; F354-A365 CarbonylContact O-C 3.53Å; F354-A365 WeakPolarHBondContact O-CA 3.2Å; F354-A365 WeakPolarHBondContact O-CB 3.31Å; F354-L366 HydrophobicContact CB-CB 4.24Å; F354-L366 PolarHBondContact N-O 2.86Å; F354-L366 PolarHBondContact O-N 2.8Å; F354-V490 HydrophobicContact CB-CG1 3.85Å; F354-V490 HydrophobicContact CD2-CG1 4.27Å; F354-V490 HydrophobicContact CG-CG1 4.48Å; F354-F493 HydrophobicContact CD1-CB 3.69Å; F354-F493 HydrophobicContact CD1-CG 4.16Å; F354-F493 HydrophobicContact CD2-CB 3.79Å; F354-F493 HydrophobicContact CE1-CB 3.64Å; F354-F493 HydrophobicContact CE1-CG 4.44Å; F354-F493 HydrophobicContact CE2-CB 3.72Å; F354-F493 HydrophobicContact CG-CB 3.77Å; F354-F493 HydrophobicContact CG-CG 4.3Å; F354-F493 HydrophobicContact CZ-CB 3.64Å; F354-F493 VanDerWaalsContact CZ-O 3.3Å; F354-F493 WeakPolarHBondContact CZ-O 3.39Å; F354-L496 HydrophobicContact CE1-CD1 4.05Å
355S97.8Very high95.5Very high51 Ų5143.1 Ų43.136%0.35725%0.245SC..EExtended strand (participates in β ladder)trans-141.7140.3165.570.70000109.8
356T97.8Very high96Very high3 Ų339.6 Ų39.62%0.01822%0.223CC..  trans-64151176.356.70000111.6R326 F354 Y362 L364 L496 N497R326-T356 WeakPolarHBondContact CD-O 3.44Å; R326-T356 PolarHBondContact NH1-O 3.49Å; R326-T356 PolarHBondContact NH1-OG1 3.39Å; F354-T356 HydrophobicContact CE1-CG2 3.66Å; F354-T356 HydrophobicContact CZ-CG2 4.02Å; T356-Y362 VanDerWaalsContact CB-O 3.32Å; T356-Y362 WeakPolarHBondContact CB-O 3.4Å; T356-Y362 WeakPolarHBondContact CG2-O 3.24Å; T356-Y362 PolarHBondContact OG1-O 3.23Å; T356-L364 HydrophobicContact CG2-CB 4.28Å; T356-L364 PolarHBondContact N-O 3.04Å; T356-L364 PolarHBondContact OG1-N 3.1Å; T356-L364 PolarHBondContact OG1-O 2.92Å; T356-L496 HydrophobicContact CG2-CB 3.8Å; T356-L496 HydrophobicContact CG2-CD1 4.23Å; T356-N497 WeakPolarHBondContact CA-OD1 3.32Å
357K96.1Very high96.4Very high137 Ų13735.5 Ų35.560%0.59620%0.204SC*.  trans-68.7147.4174.2-64.2-178.9-178.6-178.30110.3R326 S359 S360 N497R326-K357 PolarHBondContact NH1-O 2.76Å; K357-S359 PolarHBondContact O-N 2.87Å; K357-S360 WeakPolarHBondContact O-CA 3.3Å; K357-S360 WeakPolarHBondContact O-CB 3.15Å; K357-S360 PolarHBondContact O-N 3.11Å; K357-N497 HydrophobicContact CD-CB 4.41Å; K357-N497 PolarHBondContact N-OD1 3.03Å
358S91.6Very high96.7Very high114 Ų11434.6 Ų34.680%0.79720%0.197SC*.THydrogen-bonded Turntrans-51.3-25.2178.957.30000114.7
359S91.6Very high96.8Very high66 Ų6635 Ų3546%0.46220%0.199SC..THydrogen-bonded Turntrans-79.1-13.117558.10000115.3K357K357-S359 PolarHBondContact O-N 2.87Å
360S95.3Very high96.7Very high7 Ų738.8 Ų38.85%0.04921%0.207CC..  trans-70.6136.1173.6176.90000110.4K357 Y362 L496K357-S360 WeakPolarHBondContact O-CA 3.3Å; K357-S360 WeakPolarHBondContact O-CB 3.15Å; K357-S360 PolarHBondContact O-N 3.11Å; S360-Y362 PolarHBondContact O-N 2.84Å; S360-Y362 PolarHBondContact OG-N 2.88Å; S360-Y362 VanDerWaalsContact OG-N 3.16Å; S360-Y362 PolarHBondContact OG-O 3.42Å; S360-L496 PolarHBondContact OG-O 3.3Å
361P93.9Very high96.4Very high18 Ų1843.7 Ų43.712%0.11723%0.233CC..SBendtrans-72-18.5173.331.8-35.1000112.8T499 V503 R504 W507P361-T499 WeakPolarHBondContact CD-OG1 3.38Å; P361-T499 HydrophobicContact CG-CG2 3.62Å; P361-T499 VanDerWaalsContact CG-OG1 3.31Å; P361-T499 WeakPolarHBondContact CG-OG1 3.16Å; P361-V503 HydrophobicContact CB-CG1 4.29Å; P361-V503 HydrophobicContact CG-CG1 3.72Å; P361-R504 HydrophobicContact CB-CG 4.22Å; P361-R504 HydrophobicContact CG-CG 4.05Å; P361-W507 HydrophobicContact CB-CB 3.8Å; P361-W507 HydrophobicContact CB-CG 3.83Å
362Y97.1Very high96Very high16 Ų1644.6 Ų44.66%0.06324%0.242CC..SBendtrans-95112.8179.3-60.4-57.3000110T356 S360 L364 V423 I472 V476 L496 T499 V503 W507T356-Y362 VanDerWaalsContact CB-O 3.32Å; T356-Y362 WeakPolarHBondContact CB-O 3.4Å; T356-Y362 WeakPolarHBondContact CG2-O 3.24Å; T356-Y362 PolarHBondContact OG1-O 3.23Å; S360-Y362 PolarHBondContact O-N 2.84Å; S360-Y362 PolarHBondContact OG-N 2.88Å; S360-Y362 VanDerWaalsContact OG-N 3.16Å; S360-Y362 PolarHBondContact OG-O 3.42Å; Y362-L364 PolarHBondContact O-N 3.09Å; Y362-V423 WeakPolarHBondContact CE1-O 3.46Å; Y362-I472 HydrophobicContact CD1-CG1 4.36Å; Y362-I472 HydrophobicContact CD1-CG2 3.83Å; Y362-I472 HydrophobicContact CE1-CG2 4.4Å; Y362-I472 HydrophobicContact CG-CG2 4.49Å; Y362-V476 HydrophobicContact CD1-CG1 3.99Å; Y362-V476 HydrophobicContact CD2-CG1 3.75Å; Y362-V476 HydrophobicContact CE1-CG1 3.89Å; Y362-V476 HydrophobicContact CE1-CG2 3.98Å; Y362-V476 HydrophobicContact CE2-CG1 3.64Å; Y362-V476 HydrophobicContact CG-CG1 3.92Å; Y362-L496 HydrophobicContact CD2-CD2 4.41Å; Y362-T499 HydrophobicContact CD2-CG2 3.82Å; Y362-T499 HydrophobicContact CE2-CG2 3.67Å; Y362-V503 HydrophobicContact CE1-CG1 4.46Å; Y362-V503 HydrophobicContact CE2-CG1 4.18Å; Y362-V503 WeakPolarHBondContact OH-CG1 3.46Å; Y362-W507 HydrophobicContact CD1-CZ2 4.14Å; Y362-W507 AromaticContact CD1-NE1 3.9Å; Y362-W507 AromaticContact CE1-CE2 3.99Å; Y362-W507 HydrophobicContact CE1-CZ2 4.18Å; Y362-W507 AromaticContact CE1-NE1 3.45Å
363D97.1Very high95.5Very high17 Ų1743.3 Ų43.39%0.09123%0.234CC..  trans-85.982.6177.4-167.268.1000110.6C325 R326 H327 I472C325-D363 WeakPolarHBondContact CA-O 3.25Å; C325-D363 VanDerWaalsContact CB-OD2 3.28Å; C325-D363 WeakPolarHBondContact CB-OD2 3.41Å; R326-D363 WeakPolarHBondContact CB-OD1 3.4Å; R326-D363 IonicContact CZ-OD1 2.76Å; R326-D363 PolarHBondContact N-OD2 3.15Å; R326-D363 VanDerWaalsContact N-OD2 3.15Å; R326-D363 IonicContact NE-OD1 2.99Å; R326-D363 PolarHBondContact NE-OD1 2.92Å; R326-D363 IonicContact NH2-OD1 3.56Å; R326-D363 PolarHBondContact NH2-OD1 2.8Å; H327-D363 IonicContact CE1-OD2 3.09Å; H327-D363 IonicContact CG-OD2 2.68Å; H327-D363 PolarHBondContact N-OD2 3.05Å; H327-D363 VanDerWaalsContact N-OD2 3.13Å; H327-D363 IonicContact ND1-OD2 3.52Å; H327-D363 PolarHBondContact ND1-OD2 3.17Å; D363-I472 WeakPolarHBondContact O-CD1 3.13Å
364L98.1Very high94.4Very high5 Ų546.7 Ų46.73%0.02626%0.259CS..  trans-130146.8-176.5-74.2178.2000112.6V323 T324 T356 Y362 I451 I472 F477 L496V323-L364 HydrophobicContact CG1-CD2 3.75Å; T324-L364 CarbonylContact O-C 3.6Å; T324-L364 WeakPolarHBondContact O-CA 3.43Å; T356-L364 HydrophobicContact CG2-CB 4.28Å; T356-L364 PolarHBondContact N-O 3.04Å; T356-L364 PolarHBondContact OG1-N 3.1Å; T356-L364 PolarHBondContact OG1-O 2.92Å; Y362-L364 PolarHBondContact O-N 3.09Å; L364-I451 HydrophobicContact CD2-CB 4.31Å; L364-I451 HydrophobicContact CD2-CG1 4.33Å; L364-I451 HydrophobicContact CD2-CG2 4.31Å; L364-I472 HydrophobicContact CD1-CD1 4.41Å; L364-I472 HydrophobicContact CD1-CG2 3.86Å; L364-I472 HydrophobicContact CD2-CD1 3.78Å; L364-I472 HydrophobicContact CG-CD1 3.66Å; L364-I472 HydrophobicContact CG-CG2 4.29Å; L364-F477 HydrophobicContact CD1-CB 3.99Å; L364-F477 HydrophobicContact CD1-CD1 3.77Å; L364-F477 HydrophobicContact CD1-CG 4.13Å; L364-L496 HydrophobicContact CD1-CD1 4.29Å
365A98.4Very high93.7Very high3 Ų352 Ų523%0.02528%0.284CS..EExtended strand (participates in β ladder)trans-135.3147.3167.200000110.6T324 I329 F354T324-A365 HydrophobicContact CG2-CB 4.11Å; T324-A365 PolarHBondContact N-O 3.15Å; T324-A365 PolarHBondContact O-N 3.04Å; I329-A365 HydrophobicContact CD1-CB 3.97Å; I329-A365 HydrophobicContact CG1-CB 4.19Å; I329-A365 HydrophobicContact CG2-CB 4.17Å; F354-A365 CarbonylContact O-C 3.53Å; F354-A365 WeakPolarHBondContact O-CA 3.2Å; F354-A365 WeakPolarHBondContact O-CB 3.31Å
366L98.4Very high93.2Very high3 Ų350.3 Ų50.32%0.01627%0.274CS..EExtended strand (participates in β ladder)trans-108.9130.1171.9-176.373000108.9L321 V323 L353 F354 L481 F484 F493L321-L366 HydrophobicContact CB-CD1 4.39Å; V323-L366 HydrophobicContact CG2-CD1 3.98Å; L353-L366 HydrophobicContact CB-CD2 4.4Å; L353-L366 HydrophobicContact CD1-CD2 4.19Å; L353-L366 PolarHBondContact N-O 2.82Å; F354-L366 HydrophobicContact CB-CB 4.24Å; F354-L366 PolarHBondContact N-O 2.86Å; F354-L366 PolarHBondContact O-N 2.8Å; L366-L481 HydrophobicContact CD1-CD1 4.22Å; L366-F484 HydrophobicContact CD2-CD1 4.07Å; L366-F484 HydrophobicContact CD2-CE1 4.03Å; L366-F484 HydrophobicContact CD2-CZ 4.44Å; L366-F493 HydrophobicContact CD2-CD2 4.37Å; L366-F493 HydrophobicContact CD2-CE2 3.53Å; L366-F493 HydrophobicContact CD2-CZ 3.7Å
367I98.3Very high93Very high0 Ų052.1 Ų52.10%028%0.284CS..EExtended strand (participates in β ladder)trans-120.4136.3-177.8-63.3167.3000108.6V305 L321 V322 T324 I329 V335 L337 A350 D351 V352V305-I367 HydrophobicContact CG1-CD1 4.17Å; L321-I367 WeakPolarHBondContact CA-O 3.28Å; V322-I367 HydrophobicContact CB-CB 4.3Å; V322-I367 PolarHBondContact N-O 2.87Å; V322-I367 PolarHBondContact O-N 3.19Å; T324-I367 HydrophobicContact CG2-CD1 3.4Å; T324-I367 VanDerWaalsContact CG2-CD1 3.4Å; T324-I367 HydrophobicContact CG2-CG1 4.27Å; I329-I367 HydrophobicContact CG2-CD1 3.93Å; I329-I367 HydrophobicContact CG2-CG1 4.43Å; V335-I367 HydrophobicContact CG2-CD1 3.86Å; V335-I367 HydrophobicContact CG2-CG1 4.43Å; V335-I367 HydrophobicContact CG2-CG2 4.21Å; L337-I367 HydrophobicContact CD1-CG2 4.17Å; L337-I367 HydrophobicContact CD2-CD1 4.45Å; A350-I367 HydrophobicContact CB-CG2 3.28Å; D351-I367 WeakPolarHBondContact O-CA 3.14Å; V352-I367 HydrophobicContact CG2-CG1 4.35Å
368E97.9Very high93Very high65 Ų6549 Ų4930%0.30427%0.273SS..EExtended strand (participates in β ladder)trans-109.1126.6172-176.4164.7-122.700110.5G320 L321 A350 D351 L353 R488G320-E368 WeakPolarHBondContact O-CA 3.29Å; L321-E368 HydrophobicContact CD2-CB 3.94Å; L321-E368 HydrophobicContact CD2-CG 4.13Å; A350-E368 CarbonylContact C-O 3.6Å; A350-E368 VanDerWaalsContact CA-O 3.25Å; A350-E368 WeakPolarHBondContact CA-O 3.47Å; A350-E368 VanDerWaalsContact CB-O 3.29Å; A350-E368 WeakPolarHBondContact CB-O 3.12Å; D351-E368 PolarHBondContact N-O 3.39Å; D351-E368 PolarHBondContact O-N 2.91Å; L353-E368 HydrophobicContact CD1-CB 3.62Å; L353-E368 HydrophobicContact CD1-CG 4.41Å; L353-E368 HydrophobicContact CD2-CB 3.98Å; L353-E368 HydrophobicContact CG-CB 3.67Å; E368-R488 IonicContact OE1-NH1 3.47Å; E368-R488 PolarHBondContact OE1-NH1 2.92Å
369L96.8Very high93.1Very high12 Ų1244.2 Ų44.26%0.06324%0.24CC..EExtended strand (participates in β ladder)trans-76.2135.7178.7-78.464.3000109G320 V322 L337 F339 V348 D371 V373G320-L369 PolarHBondContact O-N 2.9Å; V322-L369 HydrophobicContact CB-CD1 4.24Å; V322-L369 HydrophobicContact CG2-CD1 3.7Å; L337-L369 HydrophobicContact CD1-CD1 3.59Å; L337-L369 HydrophobicContact CD1-CG 3.92Å; F339-L369 HydrophobicContact CE2-CD2 3.99Å; F339-L369 HydrophobicContact CZ-CD2 3.82Å; V348-L369 HydrophobicContact CG1-CB 4.16Å; V348-L369 HydrophobicContact CG1-CD2 4.24Å; V348-L369 HydrophobicContact CG1-CG 4.05Å; L369-D371 VanDerWaalsContact C-N 3.32Å; L369-V373 HydrophobicContact CD2-CG2 3.74Å
370R94.9Very high93.3Very high137 Ų13749.9 Ų49.952%0.51725%0.251SS..SBendtrans-68.4-38.2170.9-64.9-176.9-177.2171.46.9111.4V349 D351V349-R370 WeakPolarHBondContact O-CB 3.29Å; V349-R370 WeakPolarHBondContact O-CG 3.47Å; V349-R370 PolarHBondContact O-N 2.82Å; V349-R370 VanDerWaalsContact O-N 3.14Å; D351-R370 IonicContact OD1-CZ 3.69Å; D351-R370 IonicContact OD1-NE 3.44Å; D351-R370 PolarHBondContact OD1-NE 3.22Å; D351-R370 IonicContact OD1-NH2 3.61Å; D351-R370 PolarHBondContact OD1-NH2 3.32Å; D351-R370 IonicContact OD2-CZ 2.69Å; D351-R370 IonicContact OD2-NE 2.91Å; D351-R370 PolarHBondContact OD2-NE 3.44Å; D351-R370 IonicContact OD2-NH2 3.92Å
371D91.8Very high93.4Very high103 Ų10350.7 Ų50.755%0.55125%0.254SS*.SBendtrans-115.4109.4174.5-60.3-60.4000109.2V348 L369V348-D371 HydrophobicContact CG1-CB 4.34Å; L369-D371 VanDerWaalsContact C-N 3.32Å
372P89.4Confident93.4Very high76 Ų7650 Ų5049%0.49425%0.25SS..  trans-58.3153.6177.3-25.635000112.4A319 P374A319-P372 HydrophobicContact CB-CB 4.47Å; A319-P372 CarbonylContact O-C 3.53Å; A319-P372 VanDerWaalsContact O-CA 3.28Å; A319-P372 WeakPolarHBondContact O-CA 3.21Å; A319-P372 WeakPolarHBondContact O-CB 3.41Å; P372-P374 WeakPolarHBondContact O-CD 3.03Å
373V86.3Confident93Very high1 Ų157.4 Ų57.41%0.00628%0.283CS..  trans-105.898.7175.4179.90000108.4A319 F339 V348 L369 E375 A376A319-V373 PolarHBondContact O-N 2.87Å; F339-V373 HydrophobicContact CD1-CG2 4.29Å; F339-V373 HydrophobicContact CD2-CG2 3.94Å; F339-V373 HydrophobicContact CE1-CG2 4.16Å; F339-V373 HydrophobicContact CE2-CG2 3.82Å; F339-V373 HydrophobicContact CG-CG2 4.18Å; F339-V373 HydrophobicContact CZ-CG2 3.96Å; V348-V373 HydrophobicContact CG2-CG2 4.5Å; L369-V373 HydrophobicContact CD2-CG2 3.74Å; V373-E375 VanDerWaalsContact C-N 3.28Å; V373-E375 PolarHBondContact O-N 2.79Å; V373-A376 HydrophobicContact CB-CB 4.29Å; V373-A376 HydrophobicContact CG1-CB 4.15Å; V373-A376 VanDerWaalsContact O-CB 3.31Å; V373-A376 WeakPolarHBondContact O-CB 3.26Å; V373-A376 PolarHBondContact O-N 2.71Å
374P75.1Confident92.8Very high119 Ų11959.4 Ų59.477%0.77330%0.298SS*.THydrogen-bonded Turntrans-66-29.2-171.6-2234.8000113.7P372 A376P372-P374 WeakPolarHBondContact O-CD 3.03Å; P374-A376 VanDerWaalsContact C-N 3.26Å; P374-A376 PolarHBondContact O-N 3.15Å
375E84.4Confident92.7Very high139 Ų13961 Ų6165%0.6531%0.305SS*.THydrogen-bonded Turntrans-87.78.4-177.8-59.8-175.4177.700113V373 V377V373-E375 VanDerWaalsContact C-N 3.28Å; V373-E375 PolarHBondContact O-N 2.79Å; E375-V377 PolarHBondContact O-N 3.41Å
376A88.1Confident92.5Very high16 Ų1666.3 Ų66.313%0.13233%0.329CS..  trans-65.1125.6179.100000111.7T301 A316 V373 P374 I378T301-A376 HydrophobicContact CG2-CB 4.2Å; T301-A376 WeakPolarHBondContact OG1-CA 3.41Å; A316-A376 HydrophobicContact CB-CB 4.21Å; V373-A376 HydrophobicContact CB-CB 4.29Å; V373-A376 HydrophobicContact CG1-CB 4.15Å; V373-A376 VanDerWaalsContact O-CB 3.31Å; V373-A376 WeakPolarHBondContact O-CB 3.26Å; V373-A376 PolarHBondContact O-N 2.71Å; P374-A376 VanDerWaalsContact C-N 3.26Å; P374-A376 PolarHBondContact O-N 3.15Å; A376-I378 HydrophobicContact CB-CD1 3.86Å; A376-I378 PolarHBondContact O-N 3.01Å
377V92.9Very high92.4Very high40 Ų4071.2 Ų71.224%0.24235%0.354CS..  trans-75.4106.2170-178.10000108.3R298 H299 P300 T301 E375R298-V377 HydrophobicContact CB-CG1 4.15Å; R298-V377 HydrophobicContact CB-CG2 4.42Å; H299-V377 WeakPolarHBondContact O-CG1 3.39Å; P300-V377 WeakPolarHBondContact CA-O 3.41Å; T301-V377 PolarHBondContact N-O 3.22Å; T301-V377 PolarHBondContact OG1-N 3.48Å; E375-V377 PolarHBondContact O-N 3.41Å
378I95.2Very high92.4Very high71 Ų7173.7 Ų73.736%0.36438%0.38SS..PPolyproline II helixtrans-89.7120.2179.4-52.5-50000109.5A316 V317 S318 A376A316-I378 HydrophobicContact CB-CD1 3.97Å; V317-I378 WeakPolarHBondContact O-CG2 3.41Å; S318-I378 VanDerWaalsContact C-CD1 3.43Å; A376-I378 HydrophobicContact CB-CD1 3.86Å; A376-I378 PolarHBondContact O-N 3.01Å
379P95.1Very high92.3Very high15 Ų1571.9 Ų71.910%0.09737%0.372CS..PPolyproline II helixtrans-75.2147.9-177.729.3-31.4000111.5P300 V315 A316 L448P300-P379 HydrophobicContact CB-CB 3.87Å; P300-P379 HydrophobicContact CB-CG 3.68Å; P300-P379 HydrophobicContact CG-CB 4.37Å; P300-P379 HydrophobicContact CG-CG 4.41Å; V315-P379 HydrophobicContact CG1-CG 4.29Å; A316-P379 VanDerWaalsContact O-CD 3.27Å; A316-P379 WeakPolarHBondContact O-CD 3.43Å; P379-L448 HydrophobicContact CB-CB 3.85Å; P379-L448 HydrophobicContact CG-CB 3.97Å; P379-L448 HydrophobicContact CG-CD2 4.26Å
380R95.8Very high92.3Very high184 Ų18472.8 Ų72.869%0.69438%0.381SS*.PPolyproline II helixtrans-73.3135.1160.2-70.9179.662.1-135.2-15.9108.8E447 L448R380-E447 HydrophobicContact CB-CG 4.09Å; R380-E447 IonicContact CZ-OE1 2.77Å; R380-E447 VanDerWaalsContact CZ-OE1 3.23Å; R380-E447 IonicContact NE-OE1 3.78Å; R380-E447 IonicContact NH1-OE1 3.16Å; R380-E447 PolarHBondContact NH1-OE1 3.43Å; R380-E447 VanDerWaalsContact NH1-OE1 3.15Å; R380-E447 IonicContact NH2-OE1 2.92Å; R380-E447 PolarHBondContact NH2-OE1 3.27Å; R380-E447 CarbonylContact O-C 3.51Å; R380-E447 VanDerWaalsContact O-CA 3.25Å; R380-E447 WeakPolarHBondContact O-CA 3.41Å; R380-L448 PolarHBondContact O-N 3.14Å
381M95.8Very high92.5Very high24 Ų2466.3 Ų66.312%0.11836%0.356CS..BIsolated β-bridgetrans-77.2128.9176.8-59-69.9168.600109.9V317 L448 A474 F477 Q478 L481V317-M381 HydrophobicContact CB-CE 4.21Å; V317-M381 HydrophobicContact CG1-CE 3.77Å; M381-L448 HydrophobicContact CE-CD2 3.77Å; M381-L448 HydrophobicContact SD-CB 4.1Å; M381-L448 HydrophobicContact SD-CD2 3.51Å; M381-L448 VanDerWaalsContact SD-CD2 3.51Å; M381-L448 HydrophobicContact SD-CG 4.25Å; M381-A474 HydrophobicContact CB-CB 4.21Å; M381-A474 HydrophobicContact SD-CB 3.74Å; M381-F477 HydrophobicContact CE-CE2 3.99Å; M381-F477 HydrophobicContact SD-CE2 4.18Å; M381-F477 HydrophobicContact SD-CZ 4.41Å; M381-Q478 HydrophobicContact CB-CG 4.22Å; M381-Q478 HydrophobicContact CG-CB 4.48Å; M381-Q478 HydrophobicContact CG-CG 4.11Å; M381-L481 HydrophobicContact CE-CD2 4.28Å
382S95.2Very high92.7Very high4 Ų461.5 Ų61.53%0.02833%0.331CS..PPolyproline II helixtrans-70.9143.3175.2-1760000111.2S384 L448S382-S384 PolarHBondContact OG-N 3.26Å; S382-S384 PolarHBondContact OG-O 3.07Å; S382-L448 WeakPolarHBondContact CB-O 3.47Å; S382-L448 PolarHBondContact N-O 3.19Å
383K89.1Confident93.1Very high172 Ų17258.1 Ų58.175%0.74831%0.309SS*.  trans-108.7-12.5175.1-63-179.9-178.9177.70112.7
384S91.1Very high93.6Very high59 Ų5958.2 Ų58.241%0.41331%0.309SS..  trans-130.4144.6-174.850.60000110.4S382S382-S384 PolarHBondContact OG-N 3.26Å; S382-S384 PolarHBondContact OG-O 3.07Å
385F95.8Very high94.6Very high39 Ų3952.7 Ų52.717%0.17127%0.274CS..  trans-131.3115.4-174.1-58.9-75.6000108.5L412 A415 P422 L425 L449 P473 P475F385-L412 HydrophobicContact CB-CD2 3.8Å; F385-L412 HydrophobicContact CD1-CD2 4.43Å; F385-A415 HydrophobicContact CB-CB 4.16Å; F385-P422 HydrophobicContact CD2-CB 4.26Å; F385-P422 HydrophobicContact CD2-CG 4.26Å; F385-P422 HydrophobicContact CE2-CB 4.07Å; F385-P422 HydrophobicContact CE2-CG 3.7Å; F385-P422 HydrophobicContact CZ-CG 4.49Å; F385-L425 HydrophobicContact CD1-CD1 3.66Å; F385-L425 HydrophobicContact CD1-CD2 3.97Å; F385-L425 HydrophobicContact CD1-CG 4.49Å; F385-L425 HydrophobicContact CE1-CD1 3.5Å; F385-L425 HydrophobicContact CE1-CD2 4.29Å; F385-L425 HydrophobicContact CG-CD2 4.13Å; F385-L425 HydrophobicContact CZ-CD1 4.35Å; F385-L449 HydrophobicContact CD1-CB 4.4Å; F385-L449 HydrophobicContact CD1-CD2 4.33Å; F385-L449 HydrophobicContact CD1-CG 4.02Å; F385-L449 HydrophobicContact CE1-CB 3.97Å; F385-L449 HydrophobicContact CE1-CG 3.95Å; F385-L449 WeakPolarHBondContact CE1-O 3.34Å; F385-P473 HydrophobicContact CZ-CB 4.34Å; F385-P475 HydrophobicContact CE2-CG 3.92Å; F385-P475 HydrophobicContact CZ-CG 3.9Å
386H95.3Very high94.9Very high113 Ų11346 Ų4652%0.52324%0.243SC..  trans-111.5113.5-175.8-58.7-76.9000109.5G388 E389H386-G388 PolarHBondContact O-N 3.22Å; H386-E389 HydrophobicContact CB-CB 4.22Å; H386-E389 PolarHBondContact N-OE1 3Å; H386-E389 VanDerWaalsContact O-CB 3.24Å; H386-E389 WeakPolarHBondContact O-CB 3.29Å; H386-E389 WeakPolarHBondContact O-CG 3.4Å; H386-E389 PolarHBondContact O-N 2.83Å
387L97.1Very high94.4Very high106 Ų10645.3 Ų45.356%0.55524%0.236SC*.THydrogen-bonded Turntrans-59.4137179.8-57.2-174.4000110.7E389 L412 A415L387-E389 VanDerWaalsContact C-N 3.27Å; L387-E389 PolarHBondContact O-N 3.28Å; L387-L412 HydrophobicContact CD2-CD2 4.44Å; L387-L412 HydrophobicContact CD2-CG 4.42Å; L387-A415 HydrophobicContact CD2-CB 4.17Å
388G96.8Very high93.2Very high52 Ų5243.7 Ų43.754%0.53623%0.228SC..THydrogen-bonded Turntrans81.8-4.5-175.900000114.7H386 L412H386-G388 PolarHBondContact O-N 3.22Å; G388-L412 PolarHBondContact N-O 3.36Å
389E96Very high92.1Very high28 Ų2840.8 Ų40.813%0.13121%0.213CC..  trans-64.6145.1175.379.3-172.7125.900111.6H386 L387 V391 V411 L412H386-E389 HydrophobicContact CB-CB 4.22Å; H386-E389 PolarHBondContact N-OE1 3Å; H386-E389 VanDerWaalsContact O-CB 3.24Å; H386-E389 WeakPolarHBondContact O-CB 3.29Å; H386-E389 WeakPolarHBondContact O-CG 3.4Å; H386-E389 PolarHBondContact O-N 2.83Å; L387-E389 VanDerWaalsContact C-N 3.27Å; L387-E389 PolarHBondContact O-N 3.28Å; E389-V391 HydrophobicContact CG-CG1 4.04Å; E389-V391 PolarHBondContact O-N 3.4Å; E389-V411 WeakPolarHBondContact O-CA 3.49Å; E389-L412 HydrophobicContact CG-CB 4.03Å; E389-L412 PolarHBondContact O-N 3.37Å
390A97.4Very high90.8Very high31 Ų3140.5 Ų40.526%0.25621%0.213SC..EExtended strand (participates in β ladder)trans-71.6125.418000000110.3K443A390-K443 HydrophobicContact CB-CB 3.87Å; A390-K443 HydrophobicContact CB-CD 3.97Å; A390-K443 WeakPolarHBondContact O-CB 3.5Å; A390-K443 PolarHBondContact O-N 2.74Å
391V98.1Very high89.5Confident0 Ų038.1 Ų38.10%020%0.204CC..EExtended strand (participates in β ladder)trans-126.2156.4179.9-59.10000110.7E389 G410 L412 T427 V440 V441 L449E389-V391 HydrophobicContact CG-CG1 4.04Å; E389-V391 PolarHBondContact O-N 3.4Å; V391-G410 PolarHBondContact N-O 2.89Å; V391-G410 PolarHBondContact O-N 3.32Å; V391-L412 HydrophobicContact CG1-CB 4.09Å; V391-T427 HydrophobicContact CG2-CG2 4.19Å; V391-V440 HydrophobicContact CB-CG1 4.23Å; V391-V440 HydrophobicContact CG2-CG1 4.43Å; V391-V441 CarbonylContact C-O 3.6Å; V391-V441 VanDerWaalsContact CA-O 3.23Å; V391-V441 WeakPolarHBondContact CA-O 3.49Å; V391-V441 WeakPolarHBondContact CB-O 3.37Å; V391-L449 HydrophobicContact CG1-CD2 3.68Å
392V97.8Very high88.7Confident3 Ų341.4 Ų41.42%0.01823%0.225CC..EExtended strand (participates in β ladder)trans-125.6132174.2178.30000108.6V394 L407 T408 V441 K443V392-V394 HydrophobicContact CG1-CG2 4.08Å; V392-L407 HydrophobicContact CG1-CB 4.14Å; V392-L407 HydrophobicContact CG1-CD2 4.25Å; V392-L407 HydrophobicContact CG1-CG 4.13Å; V392-T408 CarbonylContact C-O 3.6Å; V392-T408 VanDerWaalsContact CA-O 3.31Å; V392-T408 WeakPolarHBondContact CA-O 3.34Å; V392-V441 HydrophobicContact CB-CG2 4.06Å; V392-V441 PolarHBondContact N-O 2.89Å; V392-V441 WeakPolarHBondContact O-CG2 3.35Å; V392-V441 PolarHBondContact O-N 3.08Å; V392-K443 HydrophobicContact CG2-CB 4.08Å; V392-K443 HydrophobicContact CG2-CD 4.35Å; V392-K443 HydrophobicContact CG2-CG 3.93Å
393V97.6Very high88Confident4 Ų442.2 Ų42.22%0.02423%0.23CC..EExtended strand (participates in β ladder)trans-89.9131.3165.7171.20000108.4L407 T408 C429 V431 A439 V440 V452V393-L407 VanDerWaalsContact O-CA 3.31Å; V393-L407 WeakPolarHBondContact O-CA 3.44Å; V393-T408 PolarHBondContact N-O 3.08Å; V393-T408 PolarHBondContact O-N 2.93Å; V393-C429 HydrophobicContact CB-CB 4.13Å; V393-C429 HydrophobicContact CG2-CB 3.45Å; V393-C429 VanDerWaalsContact CG2-CB 3.45Å; V393-V431 HydrophobicContact CG1-CG2 4.26Å; V393-V431 HydrophobicContact CG2-CG2 3.96Å; V393-A439 CarbonylContact C-O 3.52Å; V393-A439 VanDerWaalsContact CA-O 3.32Å; V393-A439 WeakPolarHBondContact CA-O 3.36Å; V393-V440 HydrophobicContact CG2-CG2 3.99Å; V393-V452 HydrophobicContact CG1-CG2 3.91Å; V393-V452 HydrophobicContact CG2-CG2 4.31Å
394V96.5Very high88Confident4 Ų434.1 Ų34.12%0.02420%0.196CC..EExtended strand (participates in β ladder)trans-120115.3175.5-170.60000108.2H299 V302 V392 P405 L407 G438 A439 V441H299-V394 HydrophobicContact CB-CG2 4.06Å; V302-V394 HydrophobicContact CB-CG1 4.27Å; V302-V394 HydrophobicContact CG2-CB 4.07Å; V302-V394 HydrophobicContact CG2-CG1 3.78Å; V392-V394 HydrophobicContact CG1-CG2 4.08Å; V394-P405 HydrophobicContact CG1-CB 4.14Å; V394-L407 HydrophobicContact CG1-CD1 4.32Å; V394-L407 HydrophobicContact CG2-CG 4.35Å; V394-G438 WeakPolarHBondContact O-CA 3.45Å; V394-A439 HydrophobicContact CB-CB 4.4Å; V394-A439 PolarHBondContact N-O 2.86Å; V394-A439 PolarHBondContact O-N 3.04Å; V394-V441 HydrophobicContact CG2-CG2 4.37Å
395G95.1Very high88.1Confident2 Ų232.5 Ų32.52%0.02118%0.184CC..EExtended strand (participates in β ladder)trans-169.1161.8-174.800000113.1S313 G397 S406S313-G395 WeakPolarHBondContact OG-CA 3.45Å; G395-G397 PolarHBondContact O-N 3.2Å; G395-S406 PolarHBondContact N-O 3.04Å; G395-S406 VanDerWaalsContact N-O 3.09Å; G395-S406 PolarHBondContact O-N 2.86Å
396Y91.1Very high87.9Confident0 Ų030.8 Ų30.80%018%0.177CC..SBendtrans-78.842.4177.6-72.8-100.5000112.1V302 F304 W311 S313 K338 H340 P405V302-Y396 HydrophobicContact CB-CE2 4.45Å; V302-Y396 HydrophobicContact CG1-CD2 4.04Å; V302-Y396 HydrophobicContact CG1-CE2 3.99Å; V302-Y396 VanDerWaalsContact O-CE2 3.31Å; V302-Y396 WeakPolarHBondContact O-CE2 3.43Å; V302-Y396 PolarHBondContact O-OH 2.61Å; F304-Y396 HydrophobicContact CB-CD1 3.78Å; F304-Y396 HydrophobicContact CB-CD2 4.25Å; F304-Y396 HydrophobicContact CB-CE1 3.79Å; F304-Y396 HydrophobicContact CB-CE2 4.31Å; F304-Y396 HydrophobicContact CB-CG 4Å; F304-Y396 AromaticContact CD2-CD1 3.84Å; F304-Y396 HydrophobicContact CD2-CD1 3.84Å; F304-Y396 HydrophobicContact CD2-CG 4.02Å; F304-Y396 HydrophobicContact CG-CD1 4.32Å; W311-Y396 WeakPolarHBondContact CZ3-O 3.27Å; S313-Y396 PolarHBondContact OG-N 3.07Å; K338-Y396 PolarHBondContact O-OH 3.44Å; H340-Y396 AromaticContact CE1-CE1 3.58Å; H340-Y396 AromaticContact ND1-CE1 3.36Å; H340-Y396 WeakPolarHBondContact ND1-CE1 3.48Å; H340-Y396 AromaticContact ND1-CZ 3.6Å; H340-Y396 PolarHBondContact ND1-OH 2.76Å; Y396-P405 HydrophobicContact CD2-CB 4.18Å; Y396-P405 HydrophobicContact CE2-CB 3.88Å; Y396-P405 HydrophobicContact CE2-CG 4.33Å
397G78.8Confident87.9Confident0 Ų025.9 Ų25.90%016%0.155CC..  trans-78152.517600000112.7G395 L399 S406G395-G397 PolarHBondContact O-N 3.2Å; G397-L399 VanDerWaalsContact C-N 3.29Å; G397-L399 PolarHBondContact O-N 3.01Å; G397-S406 PolarHBondContact O-OG 3.44Å
398G67.2Low87.9Confident6 Ų621 Ų216%0.06213%0.129CC..SBendtrans72.6-70.9170.400000113.6W118W118-G398 WeakPolarHBondContact CH2-O 3.35Å; W118-G398 WeakPolarHBondContact CZ2-O 3.34Å
399L71.6Confident87.9Confident11 Ų1119.9 Ų19.96%0.05811%0.113CC..SBendtrans-95.33.6-174.9-60.8-168.8000115.2V111 F112 N197 L207 G397 V402 C403V111-L399 HydrophobicContact CG1-CD1 4.3Å; V111-L399 HydrophobicContact CG1-CD2 3.43Å; V111-L399 VanDerWaalsContact CG1-CD2 3.43Å; V111-L399 HydrophobicContact CG1-CG 4.33Å; F112-L399 HydrophobicContact CD1-CD2 4.25Å; F112-L399 HydrophobicContact CE1-CD2 3.32Å; F112-L399 HydrophobicContact CZ-CD2 3.58Å; N197-L399 HydrophobicContact CB-CD1 3.84Å; L207-L399 HydrophobicContact CD1-CD1 3.4Å; L207-L399 HydrophobicContact CD1-CD2 3.66Å; L207-L399 HydrophobicContact CD1-CG 3.42Å; L207-L399 VanDerWaalsContact CD1-CG 3.42Å; L207-L399 HydrophobicContact CG-CD1 3.99Å; L207-L399 HydrophobicContact CG-CG 4.5Å; G397-L399 VanDerWaalsContact C-N 3.29Å; G397-L399 PolarHBondContact O-N 3.01Å; L399-V402 PolarHBondContact O-N 3.4Å; L399-C403 HydrophobicContact CB-CB 4.2Å; L399-C403 HydrophobicContact CD1-CB 4.19Å
400G66.9Low87.9Confident9 Ų919.2 Ų19.29%0.09311%0.113CC..G310 helixtrans50-138.6169.600000114.9V402G400-V402 PolarHBondContact O-N 2.85Å
401R70Confident88Confident134 Ų13420.2 Ų20.251%0.50612%0.116SC..G310 helixtrans-64.9-17.8-175.6-172.1-178.1-177.9-171.42.7114.2F304 K338 H340 D347F304-R401 HydrophobicContact CE2-CB 4.23Å; F304-R401 HydrophobicContact CZ-CB 4.47Å; K338-R401 HydrophobicContact CD-CG 4.03Å; K338-R401 VanDerWaalsContact CD-NE 3.27Å; K338-R401 VanDerWaalsContact CE-CZ 3.43Å; K338-R401 VanDerWaalsContact CE-NE 3.34Å; K338-R401 VanDerWaalsContact NZ-CZ 3.28Å; H340-R401 PolarHBondContact NE2-O 3.26Å; H340-R401 VanDerWaalsContact NE2-O 3.09Å; D347-R401 IonicContact OD2-NH2 3.2Å
402V77.3Confident88Confident93 Ų9320.2 Ų20.256%0.56412%0.116SC*.G310 helixtrans-79-38-165.7-174.60000112.2V111 L399 G400V111-V402 HydrophobicContact CG2-CG1 4.19Å; L399-V402 PolarHBondContact O-N 3.4Å; G400-V402 PolarHBondContact O-N 2.85Å
403C81.7Confident88Confident20 Ų2022.2 Ų22.214%0.13513%0.131CC..SBendtrans-119.26.5-166.3-54.50000113.5K167 N197 A199 L399K167-C403 PolarHBondContact NZ-O 2.85Å; N197-C403 WeakPolarHBondContact OD1-CB 3.4Å; N197-C403 PolarHBondContact OD1-O 2.77Å; A199-C403 WeakPolarHBondContact CB-SG 3.31Å; L399-C403 HydrophobicContact CB-CB 4.2Å; L399-C403 HydrophobicContact CD1-CB 4.19Å
404G89.1Confident88Confident2 Ų227 Ų272%0.02115%0.151CC..  trans71.4-170.1-170.100000113.4N197 H340N197-G404 PolarHBondContact ND2-O 2.89Å; H340-G404 VanDerWaalsContact CD2-CA 3.43Å; H340-G404 WeakPolarHBondContact CD2-CA 3.31Å; H340-G404 PolarHBondContact CD2-N 3.27Å; H340-G404 VanDerWaalsContact CG-CA 3.46Å
405P92.1Very high88Confident25 Ų2528 Ų2816%0.16216%0.16CC..  trans-66.4140.2-174.327.9-32.9000111.5K167 V394 Y396K167-P405 WeakPolarHBondContact CD-O 3.43Å; K167-P405 PolarHBondContact NZ-O 3.46Å; V394-P405 HydrophobicContact CG1-CB 4.14Å; Y396-P405 HydrophobicContact CD2-CB 4.18Å; Y396-P405 HydrophobicContact CE2-CB 3.88Å; Y396-P405 HydrophobicContact CE2-CG 4.33Å
406S93.2Very high88.1Confident4 Ų429.8 Ų29.83%0.02817%0.168CC..EExtended strand (participates in β ladder)trans-88.8150.2170.6-59.80000110.4S196 N197 G395 G397S196-S406 WeakPolarHBondContact O-CA 3.4Å; N197-S406 PolarHBondContact ND2-OG 3.48Å; G395-S406 PolarHBondContact N-O 3.04Å; G395-S406 VanDerWaalsContact N-O 3.09Å; G395-S406 PolarHBondContact O-N 2.86Å; G397-S406 PolarHBondContact O-OG 3.44Å
407L94.9Very high88.2Confident10 Ų1033 Ų335%0.05219%0.191CC..EExtended strand (participates in β ladder)trans-115.7134.1174.7-77.667.7000110.4K167 I194 S196 V392 V393 V394K167-L407 HydrophobicContact CB-CD1 4.02Å; K167-L407 HydrophobicContact CB-CD2 4.34Å; K167-L407 HydrophobicContact CD-CD1 4.28Å; I194-L407 HydrophobicContact CD1-CB 3.75Å; S196-L407 WeakPolarHBondContact CA-O 3.47Å; S196-L407 WeakPolarHBondContact CB-O 3.5Å; S196-L407 PolarHBondContact O-N 3.09Å; S196-L407 PolarHBondContact OG-O 2.84Å; V392-L407 HydrophobicContact CG1-CB 4.14Å; V392-L407 HydrophobicContact CG1-CD2 4.25Å; V392-L407 HydrophobicContact CG1-CG 4.13Å; V393-L407 VanDerWaalsContact O-CA 3.31Å; V393-L407 WeakPolarHBondContact O-CA 3.44Å; V394-L407 HydrophobicContact CG1-CD1 4.32Å; V394-L407 HydrophobicContact CG2-CG 4.35Å
408T96Very high88.9Confident3 Ų335.1 Ų35.12%0.01820%0.202CC..EExtended strand (participates in β ladder)trans-132.2136.1168.861.20000111D209 L250 V392 V393 C429 A430D209-T408 HydrophobicContact CB-CG2 4.31Å; L250-T408 HydrophobicContact CD2-CG2 3.87Å; V392-T408 CarbonylContact C-O 3.6Å; V392-T408 VanDerWaalsContact CA-O 3.31Å; V392-T408 WeakPolarHBondContact CA-O 3.34Å; V393-T408 PolarHBondContact N-O 3.08Å; V393-T408 PolarHBondContact O-N 2.93Å; T408-C429 PolarHBondContact O-SG 3.01Å; T408-A430 WeakPolarHBondContact CB-O 3.29Å; T408-A430 HydrophobicContact CG2-CB 4.19Å; T408-A430 VanDerWaalsContact CG2-O 3.23Å; T408-A430 WeakPolarHBondContact CG2-O 3.43Å; T408-A430 PolarHBondContact OG1-O 2.9Å
409S96.8Very high90Very high29 Ų2941.2 Ų41.220%0.20323%0.233CC..EExtended strand (participates in β ladder)trans-97.8148.4-176.9-170.60000110.6D209 C429D209-S409 PolarHBondContact OD2-N 2.69Å; S409-C429 VanDerWaalsContact C-SG 3.51Å
410G97.4Very high90.8Very high13 Ų1343.8 Ų43.813%0.13426%0.263CS..EExtended strand (participates in β ladder)trans-172.5-155.5177.300000110.6V391 T428 C429V391-G410 PolarHBondContact N-O 2.89Å; V391-G410 PolarHBondContact O-N 3.32Å; G410-T428 WeakPolarHBondContact CA-OG1 3.4Å; G410-C429 PolarHBondContact N-SG 2.96Å
411V98.1Very high91.9Very high52 Ų5247.9 Ų47.932%0.31528%0.279SS..EExtended strand (participates in β ladder)trans-126154.5173.6-59.60000111.1E389 S413 T427 T428E389-V411 WeakPolarHBondContact O-CA 3.49Å; V411-S413 PolarHBondContact O-N 3.01Å; V411-S413 VanDerWaalsContact O-N 3.15Å; V411-T427 VanDerWaalsContact O-CA 3.24Å; V411-T427 WeakPolarHBondContact O-CA 3.39Å; V411-T427 WeakPolarHBondContact O-CB 3.34Å; V411-T428 HydrophobicContact CG2-CG2 3.83Å; V411-T428 PolarHBondContact N-OG1 3.13Å; V411-T428 PolarHBondContact O-N 3.27Å
412L98.4Very high93.1Very high0 Ų042.2 Ų42.20%026%0.26CS..EExtended strand (participates in β ladder)trans-68.1103.6161.9-179.669.5000108.6F385 L387 G388 E389 V391 L425 L449F385-L412 HydrophobicContact CB-CD2 3.8Å; F385-L412 HydrophobicContact CD1-CD2 4.43Å; L387-L412 HydrophobicContact CD2-CD2 4.44Å; L387-L412 HydrophobicContact CD2-CG 4.42Å; G388-L412 PolarHBondContact N-O 3.36Å; E389-L412 HydrophobicContact CG-CB 4.03Å; E389-L412 PolarHBondContact O-N 3.37Å; V391-L412 HydrophobicContact CG1-CB 4.09Å; L412-L425 HydrophobicContact CD1-CB 3.85Å; L412-L425 HydrophobicContact CD1-CD1 4.27Å; L412-L425 HydrophobicContact CD1-CD2 4.44Å; L412-L425 HydrophobicContact CD1-CG 4.4Å; L412-L449 HydrophobicContact CD1-CD2 4.46Å; L412-L449 HydrophobicContact CD2-CD2 4.39Å
413S97.9Very high94Very high46 Ų4638.1 Ų38.132%0.32224%0.235SC..EExtended strand (participates in β ladder)trans-84-32.3-175.157.30000112.8V411 Q426V411-S413 PolarHBondContact O-N 3.01Å; V411-S413 VanDerWaalsContact O-N 3.15Å; S413-Q426 PolarHBondContact N-O 2.87Å; S413-Q426 WeakPolarHBondContact OG-CB 3.47Å; S413-Q426 PolarHBondContact OG-O 3.16Å
414K97.8Very high94.8Very high103 Ų10337.3 Ų37.345%0.44823%0.229SC..EExtended strand (participates in β ladder)trans-151.4145.9178.2-158.369.1174.9-177.30112.2I416 L425 Q426K414-I416 HydrophobicContact CB-CD1 4.2Å; K414-I416 HydrophobicContact CG-CD1 3.76Å; K414-I416 HydrophobicContact CG-CG1 4.22Å; K414-L425 CarbonylContact O-C 3.55Å; K414-L425 WeakPolarHBondContact O-CA 3.48Å; K414-Q426 HydrophobicContact CB-CB 3.9Å; K414-Q426 HydrophobicContact CB-CG 4.13Å; K414-Q426 PolarHBondContact N-O 3.03Å; K414-Q426 PolarHBondContact O-N 2.72Å
415A97.1Very high95.2Very high27 Ų2737.2 Ų37.222%0.22323%0.228CC..EExtended strand (participates in β ladder)trans-125.6108.9165.600000108F385 L387 L425F385-A415 HydrophobicContact CB-CB 4.16Å; L387-A415 HydrophobicContact CD2-CB 4.17Å; A415-L425 HydrophobicContact CB-CD2 3.69Å
416I96.1Very high95.5Very high38 Ų3837.9 Ų37.920%0.19523%0.23CC..EExtended strand (participates in β ladder)trans-88124.7176.9-58.482.9000107.3K414 V423 M424 Q426 V506K414-I416 HydrophobicContact CB-CD1 4.2Å; K414-I416 HydrophobicContact CG-CD1 3.76Å; K414-I416 HydrophobicContact CG-CG1 4.22Å; I416-V423 HydrophobicContact CB-CG2 4.4Å; I416-V423 HydrophobicContact CG2-CG2 4.04Å; I416-V423 WeakPolarHBondContact O-CG2 3.21Å; I416-V423 PolarHBondContact O-N 2.61Å; I416-M424 HydrophobicContact CB-CB 4.36Å; I416-M424 HydrophobicContact CD1-CB 4.18Å; I416-M424 HydrophobicContact CD1-CG 4.1Å; I416-M424 WeakPolarHBondContact CD1-O 3.31Å; I416-M424 HydrophobicContact CD1-SD 4.07Å; I416-M424 PolarHBondContact N-O 2.83Å; I416-M424 PolarHBondContact O-N 2.93Å; I416-Q426 HydrophobicContact CD1-CG 4.23Å; I416-V506 HydrophobicContact CB-CG1 4.4Å; I416-V506 HydrophobicContact CG2-CG1 3.91Å; I416-V506 HydrophobicContact CG2-CG2 4.23Å
417S94.6Very high95.8Very high67 Ų6737.7 Ų37.747%0.46923%0.228SC..EExtended strand (participates in β ladder)trans-122.7141.6178.7-59.20000111.4Q421S417-Q421 CarbonylContact C-O 3.5Å; S417-Q421 WeakPolarHBondContact CA-O 3.24Å; S417-Q421 WeakPolarHBondContact CB-O 3.36Å
418L92.7Very high95.9Very high46 Ų4639.3 Ų39.324%0.24124%0.239CC..EExtended strand (participates in β ladder)trans-123.2133.9171-65.8177000108.1G420 Q421 V423 D502 V503 V506L418-G420 PolarHBondContact O-N 2.91Å; L418-G420 VanDerWaalsContact O-N 3.13Å; L418-Q421 PolarHBondContact N-O 3.5Å; L418-Q421 PolarHBondContact O-N 2.8Å; L418-V423 HydrophobicContact CB-CG1 4.15Å; L418-V423 HydrophobicContact CD1-CG1 4.38Å; L418-V423 HydrophobicContact CD1-CG2 4.17Å; L418-V423 HydrophobicContact CG-CG1 4.37Å; L418-V423 HydrophobicContact CG-CG2 4.05Å; L418-D502 HydrophobicContact CD1-CB 3.91Å; L418-V503 HydrophobicContact CD1-CB 4.45Å; L418-V503 HydrophobicContact CD1-CG2 3.89Å; L418-V506 HydrophobicContact CD1-CG2 4.13Å
419N89.6Confident95.9Very high133 Ų13339.2 Ų39.271%0.71124%0.238SC*.THydrogen-bonded Turntrans51.337.1-178.4-55.4-28.3000113.3Q421 E500N419-Q421 PolarHBondContact O-N 3.39Å; N419-E500 PolarHBondContact ND2-OE2 3.14Å
420G88.3Confident95.7Very high66 Ų6637.9 Ų37.968%0.6823%0.228SC*.THydrogen-bonded Turntrans72.57.4-178.100000115.4L418L418-G420 PolarHBondContact O-N 2.91Å; L418-G420 VanDerWaalsContact O-N 3.13Å
421Q91.1Very high95.5Very high94 Ų9437.4 Ų37.444%0.43922%0.223SC..EExtended strand (participates in β ladder)trans-110.2134.3176.2-62.9-57.5-54.700111.1S417 L418 N419 V423S417-Q421 CarbonylContact C-O 3.5Å; S417-Q421 WeakPolarHBondContact CA-O 3.24Å; S417-Q421 WeakPolarHBondContact CB-O 3.36Å; L418-Q421 PolarHBondContact N-O 3.5Å; L418-Q421 PolarHBondContact O-N 2.8Å; N419-Q421 PolarHBondContact O-N 3.39Å; Q421-V423 PolarHBondContact O-N 3.47Å
422P95.1Very high95Very high16 Ų1635.6 Ų35.610%0.10421%0.211CC..EExtended strand (participates in β ladder)trans-69.2129.8175.630.5-34.8000109.7F385 P473 P475F385-P422 HydrophobicContact CD2-CB 4.26Å; F385-P422 HydrophobicContact CD2-CG 4.26Å; F385-P422 HydrophobicContact CE2-CB 4.07Å; F385-P422 HydrophobicContact CE2-CG 3.7Å; F385-P422 HydrophobicContact CZ-CG 4.49Å; P422-P473 HydrophobicContact CB-CB 4.03Å; P422-P473 HydrophobicContact CB-CG 3.99Å; P422-P473 HydrophobicContact CG-CB 4.14Å; P422-P475 HydrophobicContact CG-CB 4.19Å; P422-P475 HydrophobicContact CG-CG 4.07Å
423V96.6Very high94.4Very high6 Ų638.6 Ų38.64%0.03624%0.236CC..EExtended strand (participates in β ladder)trans-116.4-20.3-178.9-62.40000112.9Y362 I416 L418 Q421 V503 V506 W507Y362-V423 WeakPolarHBondContact CE1-O 3.46Å; I416-V423 HydrophobicContact CB-CG2 4.4Å; I416-V423 HydrophobicContact CG2-CG2 4.04Å; I416-V423 WeakPolarHBondContact O-CG2 3.21Å; I416-V423 PolarHBondContact O-N 2.61Å; L418-V423 HydrophobicContact CB-CG1 4.15Å; L418-V423 HydrophobicContact CD1-CG1 4.38Å; L418-V423 HydrophobicContact CD1-CG2 4.17Å; L418-V423 HydrophobicContact CG-CG1 4.37Å; L418-V423 HydrophobicContact CG-CG2 4.05Å; Q421-V423 PolarHBondContact O-N 3.47Å; V423-V503 HydrophobicContact CB-CG1 4.39Å; V423-V503 HydrophobicContact CG1-CG2 4.13Å; V423-V506 HydrophobicContact CG2-CG1 4.25Å; V423-W507 WeakPolarHBondContact O-CZ2 3Å; V423-W507 PolarHBondContact O-NE1 3.47Å
424M97.8Very high94Very high3 Ų336.8 Ų36.82%0.01523%0.225CC..EExtended strand (participates in β ladder)trans-158136.9177175.5-170.4-78.100109.3I416 F470 V506 W507 L509I416-M424 HydrophobicContact CB-CB 4.36Å; I416-M424 HydrophobicContact CD1-CB 4.18Å; I416-M424 HydrophobicContact CD1-CG 4.1Å; I416-M424 WeakPolarHBondContact CD1-O 3.31Å; I416-M424 HydrophobicContact CD1-SD 4.07Å; I416-M424 PolarHBondContact N-O 2.83Å; I416-M424 PolarHBondContact O-N 2.93Å; M424-F470 HydrophobicContact CE-CB 4.37Å; M424-F470 HydrophobicContact CE-CD1 4.01Å; M424-F470 HydrophobicContact CE-CG 4.36Å; M424-F470 HydrophobicContact CG-CB 4.47Å; M424-F470 HydrophobicContact CG-CD1 4.33Å; M424-F470 HydrophobicContact SD-CB 4.47Å; M424-F470 HydrophobicContact SD-CD1 3.51Å; M424-F470 VanDerWaalsContact SD-CD1 3.51Å; M424-F470 HydrophobicContact SD-CE1 4.16Å; M424-F470 HydrophobicContact SD-CG 4.33Å; M424-V506 HydrophobicContact CB-CG1 4.16Å; M424-V506 HydrophobicContact CE-CG1 4Å; M424-V506 HydrophobicContact SD-CG1 4.06Å; M424-W507 HydrophobicContact CB-CZ2 4.04Å; M424-W507 HydrophobicContact CE-CB 4.27Å; M424-W507 HydrophobicContact CE-CD2 3.44Å; M424-W507 VanDerWaalsContact CE-CD2 3.44Å; M424-W507 HydrophobicContact CE-CE3 3.6Å; M424-W507 HydrophobicContact CE-CG 3.76Å; M424-W507 HydrophobicContact CE-CH2 4.39Å; M424-W507 HydrophobicContact CE-CZ2 4.26Å; M424-W507 HydrophobicContact CE-CZ3 4.08Å; M424-W507 HydrophobicContact CG-CH2 4.45Å; M424-W507 HydrophobicContact CG-CZ2 4.18Å; M424-L509 HydrophobicContact CE-CD2 4.49Å
425L98.4Very high93.8Very high0 Ų032 Ų320%020%0.204CC..EExtended strand (participates in β ladder)trans-110.3157.2168-44.9175.4000110.4F385 L412 K414 A415 L449 I471 P473F385-L425 HydrophobicContact CD1-CD1 3.66Å; F385-L425 HydrophobicContact CD1-CD2 3.97Å; F385-L425 HydrophobicContact CD1-CG 4.49Å; F385-L425 HydrophobicContact CE1-CD1 3.5Å; F385-L425 HydrophobicContact CE1-CD2 4.29Å; F385-L425 HydrophobicContact CG-CD2 4.13Å; F385-L425 HydrophobicContact CZ-CD1 4.35Å; L412-L425 HydrophobicContact CD1-CB 3.85Å; L412-L425 HydrophobicContact CD1-CD1 4.27Å; L412-L425 HydrophobicContact CD1-CD2 4.44Å; L412-L425 HydrophobicContact CD1-CG 4.4Å; K414-L425 CarbonylContact O-C 3.55Å; K414-L425 WeakPolarHBondContact O-CA 3.48Å; A415-L425 HydrophobicContact CB-CD2 3.69Å; L425-L449 HydrophobicContact CD1-CB 4.06Å; L425-I471 HydrophobicContact CB-CB 3.94Å; L425-I471 HydrophobicContact CB-CG2 4.08Å; L425-I471 HydrophobicContact CD1-CG2 4.02Å; L425-I471 HydrophobicContact CG-CG2 4.3Å; L425-I471 PolarHBondContact N-O 2.81Å; L425-I471 PolarHBondContact O-N 3.23Å; L425-P473 HydrophobicContact CD1-CB 4.29Å; L425-P473 HydrophobicContact CD2-CB 4.42Å; L425-P473 HydrophobicContact CD2-CG 4.22Å; L425-P473 HydrophobicContact CG-CB 4.14Å; L425-P473 HydrophobicContact CG-CG 3.95Å
426Q98.4Very high93.8Very high40 Ų4031.7 Ų31.719%0.18720%0.201CC..EExtended strand (participates in β ladder)trans-128.3141.7172.4-61.5176.6-29.400110.1S413 K414 I416 N469 F470S413-Q426 PolarHBondContact N-O 2.87Å; S413-Q426 WeakPolarHBondContact OG-CB 3.47Å; S413-Q426 PolarHBondContact OG-O 3.16Å; K414-Q426 HydrophobicContact CB-CB 3.9Å; K414-Q426 HydrophobicContact CB-CG 4.13Å; K414-Q426 PolarHBondContact N-O 3.03Å; K414-Q426 PolarHBondContact O-N 2.72Å; I416-Q426 HydrophobicContact CD1-CG 4.23Å; Q426-N469 VanDerWaalsContact CA-O 3.29Å; Q426-N469 WeakPolarHBondContact CA-O 3.39Å; Q426-F470 HydrophobicContact CG-CD1 4.17Å; Q426-F470 HydrophobicContact CG-CE1 4.46Å
427T98.2Very high93.9Very high0 Ų029.9 Ų29.90%019%0.191CC..EExtended strand (participates in β ladder)trans-128.6164.3175.685.90000111.9V391 V411 C429 V440 H467 N469 I471V391-T427 HydrophobicContact CG2-CG2 4.19Å; V411-T427 VanDerWaalsContact O-CA 3.24Å; V411-T427 WeakPolarHBondContact O-CA 3.39Å; V411-T427 WeakPolarHBondContact O-CB 3.34Å; T427-C429 PolarHBondContact OG1-N 3.38Å; T427-V440 HydrophobicContact CG2-CG1 3.9Å; T427-H467 VanDerWaalsContact O-O 3.13Å; T427-N469 WeakPolarHBondContact CB-OD1 3.36Å; T427-N469 PolarHBondContact N-OD1 3.44Å; T427-N469 PolarHBondContact O-ND2 2.82Å; T427-N469 PolarHBondContact O-OD1 2.83Å; T427-N469 PolarHBondContact OG1-ND2 2.94Å; T427-N469 PolarHBondContact OG1-OD1 3.43Å; T427-I471 HydrophobicContact CG2-CD1 4.09Å; T427-I471 HydrophobicContact CG2-CG1 4.27Å
428T97.2Very high94Very high44 Ų4426.7 Ų26.727%0.2717%0.169SC..  trans-97.90.9172.164.30000114.1G410 V411 H467G410-T428 WeakPolarHBondContact CA-OG1 3.4Å; V411-T428 HydrophobicContact CG2-CG2 3.83Å; V411-T428 PolarHBondContact N-OG1 3.13Å; V411-T428 PolarHBondContact O-N 3.27Å; T428-H467 WeakPolarHBondContact CA-O 3.38Å; T428-H467 PolarHBondContact O-ND1 3.36Å
429C96.4Very high94.3Very high0 Ų024.5 Ų24.50%016%0.158CC..SBendtrans-55.9143.9175.1-69.10000110.2V393 T408 S409 G410 T427 V431 N469V393-C429 HydrophobicContact CB-CB 4.13Å; V393-C429 HydrophobicContact CG2-CB 3.45Å; V393-C429 VanDerWaalsContact CG2-CB 3.45Å; T408-C429 PolarHBondContact O-SG 3.01Å; S409-C429 VanDerWaalsContact C-SG 3.51Å; G410-C429 PolarHBondContact N-SG 2.96Å; T427-C429 PolarHBondContact OG1-N 3.38Å; C429-V431 HydrophobicContact CB-CG2 4.48Å; C429-V431 PolarHBondContact O-N 3.42Å; C429-N469 PolarHBondContact O-ND2 2.84Å
430A92.9Very high94.7Very high1 Ų118.2 Ų18.21%0.00812%0.124CC..  trans-73.9107.9171.900000109.2T408 H467T408-A430 WeakPolarHBondContact CB-O 3.29Å; T408-A430 HydrophobicContact CG2-CB 4.19Å; T408-A430 VanDerWaalsContact CG2-O 3.23Å; T408-A430 WeakPolarHBondContact CG2-O 3.43Å; T408-A430 PolarHBondContact OG1-O 2.9Å; A430-H467 VanDerWaalsContact CB-CE1 3.43Å; A430-H467 WeakPolarHBondContact CB-CE1 3.28Å
431V92.1Very high95.2Very high3 Ų315 Ų152%0.0189%0.091CC..  trans-104.1119.8-179.4172.90000109.1V393 C429 A435 V452 N455 P466 N469V393-V431 HydrophobicContact CG1-CG2 4.26Å; V393-V431 HydrophobicContact CG2-CG2 3.96Å; C429-V431 HydrophobicContact CB-CG2 4.48Å; C429-V431 PolarHBondContact O-N 3.42Å; V431-A435 HydrophobicContact CG1-CB 3.93Å; V431-V452 HydrophobicContact CG1-CG1 3.61Å; V431-N455 WeakPolarHBondContact CB-OD1 3.48Å; V431-N455 VanDerWaalsContact CG1-OD1 3.31Å; V431-N455 WeakPolarHBondContact CG1-OD1 3.32Å; V431-N455 PolarHBondContact O-ND2 3.22Å; V431-P466 PolarHBondContact N-O 3.06Å; V431-N469 HydrophobicContact CB-CB 4.22Å; V431-N469 HydrophobicContact CG2-CB 4.01Å; V431-N469 VanDerWaalsContact CG2-ND2 3.25Å; V431-N469 WeakPolarHBondContact CG2-ND2 3.42Å
432Q88.1Confident95.4Very high15 Ų1512.6 Ų12.67%0.078%0.08CC..  trans-95.3161.2176.8-549219.400112.3I248 L250 G434 A435I248-Q432 HydrophobicContact CB-CG 3.94Å; I248-Q432 WeakPolarHBondContact O-CG 3.13Å; I248-Q432 PolarHBondContact O-NE2 3.29Å; I248-Q432 VanDerWaalsContact O-NE2 3.16Å; L250-Q432 VanDerWaalsContact CG-NE2 3.28Å; Q432-G434 PolarHBondContact O-N 2.89Å; Q432-A435 VanDerWaalsContact O-CB 3.23Å; Q432-A435 WeakPolarHBondContact O-CB 3.33Å; Q432-A435 PolarHBondContact O-N 2.96Å
433A86.8Confident95.4Very high62 Ų6215 Ų1551%0.5129%0.089SC..THydrogen-bonded Turntrans-49.9135.816300000110.5
434G89.5Confident95.1Very high9 Ų920.3 Ų20.39%0.09311%0.113CC..THydrogen-bonded Turntrans95-20.5-172.500000115.1G312 S313 Q432 S436G312-G434 CarbonylContact C-O 3.46Å; G312-G434 VanDerWaalsContact C-O 3.26Å; G312-G434 VanDerWaalsContact CA-O 3.28Å; G312-G434 WeakPolarHBondContact CA-O 3.39Å; S313-G434 PolarHBondContact N-O 2.97Å; S313-G434 PolarHBondContact OG-O 3.17Å; Q432-G434 PolarHBondContact O-N 2.89Å; G434-S436 VanDerWaalsContact C-N 3.28Å; G434-S436 PolarHBondContact O-N 3.05Å
435A93.8Very high94.9Very high2 Ų222.9 Ų22.92%0.01713%0.131CC..  trans-77.3-11.417500000113.4V431 Q432 G437 G438V431-A435 HydrophobicContact CG1-CB 3.93Å; Q432-A435 VanDerWaalsContact O-CB 3.23Å; Q432-A435 WeakPolarHBondContact O-CB 3.33Å; Q432-A435 PolarHBondContact O-N 2.96Å; A435-G437 PolarHBondContact O-N 3.09Å; A435-G438 WeakPolarHBondContact O-CA 3.29Å; A435-G438 PolarHBondContact O-N 2.96Å
436S95.6Very high94.7Very high21 Ų2123.2 Ų23.215%0.14713%0.134CC..THydrogen-bonded Turntrans-53.5131.1172.2-60.60000111.1S313 H327 G434 G438S313-S436 PolarHBondContact N-O 3.12Å; H327-S436 VanDerWaalsContact NE2-CB 3.29Å; H327-S436 WeakPolarHBondContact NE2-CB 3.35Å; H327-S436 PolarHBondContact NE2-OG 3.47Å; G434-S436 VanDerWaalsContact C-N 3.28Å; G434-S436 PolarHBondContact O-N 3.05Å; S436-G438 VanDerWaalsContact C-N 3.29Å
437G97.8Very high94.6Very high0 Ų023.1 Ų23.10%013%0.134CC..THydrogen-bonded Turntrans82.9-0.1-171.300000114.3S313 G314 C325 A435 V452S313-G437 CarbonylContact C-O 3.47Å; S313-G437 CarbonylContact O-C 3.58Å; S313-G437 VanDerWaalsContact O-C 3.27Å; S313-G437 WeakPolarHBondContact O-CA 3.24Å; G314-G437 WeakPolarHBondContact CA-O 3.35Å; C325-G437 PolarHBondContact SG-N 3.3Å; A435-G437 PolarHBondContact O-N 3.09Å; G437-V452 PolarHBondContact N-O 3.36Å
438G97.7Very high94.6Very high0 Ų023.1 Ų23.10%013%0.134CC..  trans-79.6169.4177.200000113.3V394 A435 S436 I451 V452V394-G438 WeakPolarHBondContact O-CA 3.45Å; A435-G438 WeakPolarHBondContact O-CA 3.29Å; A435-G438 PolarHBondContact O-N 2.96Å; S436-G438 VanDerWaalsContact C-N 3.29Å; G438-I451 WeakPolarHBondContact O-CA 3.33Å; G438-V452 PolarHBondContact O-N 3.22Å
439A98.3Very high94.7Very high0 Ų021.1 Ų21.10%012%0.122CC..EExtended strand (participates in β ladder)trans-87.1139.5-175.500000111.7P300 V302 V315 V393 V394 V441 L448P300-A439 HydrophobicContact CG-CB 3.74Å; V302-A439 HydrophobicContact CG2-CB 4.07Å; V315-A439 HydrophobicContact CG1-CB 4.25Å; V315-A439 HydrophobicContact CG2-CB 3.63Å; V393-A439 CarbonylContact C-O 3.52Å; V393-A439 VanDerWaalsContact CA-O 3.32Å; V393-A439 WeakPolarHBondContact CA-O 3.36Å; V394-A439 HydrophobicContact CB-CB 4.4Å; V394-A439 PolarHBondContact N-O 2.86Å; V394-A439 PolarHBondContact O-N 3.04Å; A439-V441 HydrophobicContact CB-CG1 4.15Å; A439-L448 HydrophobicContact CB-CD1 3.55Å
440V98.6Very high94.8Very high0 Ų021.1 Ų21.10%012%0.122CC..EExtended strand (participates in β ladder)trans-107.7119.7159.2-175.90000108.1V391 V393 T427 L449 G450 V452 I471V391-V440 HydrophobicContact CB-CG1 4.23Å; V391-V440 HydrophobicContact CG2-CG1 4.43Å; V393-V440 HydrophobicContact CG2-CG2 3.99Å; T427-V440 HydrophobicContact CG2-CG1 3.9Å; V440-L449 HydrophobicContact CG1-CB 4.35Å; V440-L449 PolarHBondContact O-N 3.04Å; V440-G450 PolarHBondContact N-O 2.7Å; V440-G450 PolarHBondContact O-N 3.22Å; V440-V452 HydrophobicContact CG2-CG2 3.55Å; V440-I471 HydrophobicContact CB-CG1 4.4Å; V440-I471 HydrophobicContact CG2-CD1 4.31Å; V440-I471 HydrophobicContact CG2-CG1 3.43Å; V440-I471 VanDerWaalsContact CG2-CG1 3.43Å; V440-I471 HydrophobicContact CG2-CG2 4.21Å
441V98.1Very high95Very high0 Ų021 Ų210%012%0.121CC..EExtended strand (participates in β ladder)trans-123.5151.8-176.6-59.90000112.5P300 V391 V392 V394 A439 E447 L448P300-V441 HydrophobicContact CG-CG1 3.63Å; V391-V441 CarbonylContact C-O 3.6Å; V391-V441 VanDerWaalsContact CA-O 3.23Å; V391-V441 WeakPolarHBondContact CA-O 3.49Å; V391-V441 WeakPolarHBondContact CB-O 3.37Å; V392-V441 HydrophobicContact CB-CG2 4.06Å; V392-V441 PolarHBondContact N-O 2.89Å; V392-V441 WeakPolarHBondContact O-CG2 3.35Å; V392-V441 PolarHBondContact O-N 3.08Å; V394-V441 HydrophobicContact CG2-CG2 4.37Å; A439-V441 HydrophobicContact CB-CG1 4.15Å; V441-E447 CarbonylContact C-O 3.57Å; V441-E447 WeakPolarHBondContact CA-O 3.46Å; V441-E447 WeakPolarHBondContact CB-O 3.31Å; V441-L448 HydrophobicContact CG1-CD1 4.12Å
442Q96.9Very high95.3Very high42 Ų4220.9 Ų20.920%0.19612%0.12CC..EExtended strand (participates in β ladder)trans-67.5133.8168.2-164-142.263.700108.9Q444 S445 G446 E447 L449Q442-Q444 VanDerWaalsContact C-N 3.31Å; Q442-Q444 PolarHBondContact O-N 3.16Å; Q442-S445 WeakPolarHBondContact CB-OG 3.16Å; Q442-S445 PolarHBondContact OE1-OG 2.69Å; Q442-G446 WeakPolarHBondContact O-CA 3.38Å; Q442-G446 PolarHBondContact O-N 3.31Å; Q442-E447 PolarHBondContact N-O 2.98Å; Q442-L449 HydrophobicContact CB-CD1 3.93Å
443K94.3Very high95.8Very high67 Ų6720.6 Ų20.629%0.29112%0.12SC..THydrogen-bonded Turntrans-60.6-36.1-171.2-176.4170.7-176.3169.10113.5A390 V392A390-K443 HydrophobicContact CB-CB 3.87Å; A390-K443 HydrophobicContact CB-CD 3.97Å; A390-K443 WeakPolarHBondContact O-CB 3.5Å; A390-K443 PolarHBondContact O-N 2.74Å; V392-K443 HydrophobicContact CG2-CB 4.08Å; V392-K443 HydrophobicContact CG2-CD 4.35Å; V392-K443 HydrophobicContact CG2-CG 3.93Å
444Q90.8Very high96.1Very high118 Ų11819.8 Ų19.855%0.55111%0.111SC*.THydrogen-bonded Turntrans-92.3-42.4-174.8-67.176.119.700113.3V297 Q442V297-Q444 WeakPolarHBondContact CG2-O 3.49Å; Q442-Q444 VanDerWaalsContact C-N 3.31Å; Q442-Q444 PolarHBondContact O-N 3.16Å
445S92.9Very high96.2Very high57 Ų5720.9 Ų20.940%0.39911%0.114SC..THydrogen-bonded Turntrans-88.4-22-175.772.80000113.5Q442 E447Q442-S445 WeakPolarHBondContact CB-OG 3.16Å; Q442-S445 PolarHBondContact OE1-OG 2.69Å; S445-E447 PolarHBondContact O-N 3.29Å; S445-E447 WeakPolarHBondContact OG-CB 3.11Å; S445-E447 WeakPolarHBondContact OG-CG 3.47Å; S445-E447 PolarHBondContact OG-N 3.15Å; S445-E447 VanDerWaalsContact OG-N 3.13Å
446G94.1Very high96.1Very high6 Ų621.3 Ų21.36%0.06212%0.117CC..  trans69.77.6-171.100000114Q442Q442-G446 WeakPolarHBondContact O-CA 3.38Å; Q442-G446 PolarHBondContact O-N 3.31Å
447E96.7Very high95.7Very high39 Ų3927.4 Ų27.418%0.18214%0.137CC..  trans-64.9136.8177.4-70.7-176.3151.900111R380 V441 Q442 S445 L449R380-E447 HydrophobicContact CB-CG 4.09Å; R380-E447 IonicContact CZ-OE1 2.77Å; R380-E447 VanDerWaalsContact CZ-OE1 3.23Å; R380-E447 IonicContact NE-OE1 3.78Å; R380-E447 IonicContact NH1-OE1 3.16Å; R380-E447 PolarHBondContact NH1-OE1 3.43Å; R380-E447 VanDerWaalsContact NH1-OE1 3.15Å; R380-E447 IonicContact NH2-OE1 2.92Å; R380-E447 PolarHBondContact NH2-OE1 3.27Å; R380-E447 CarbonylContact O-C 3.51Å; R380-E447 VanDerWaalsContact O-CA 3.25Å; R380-E447 WeakPolarHBondContact O-CA 3.41Å; V441-E447 CarbonylContact C-O 3.57Å; V441-E447 WeakPolarHBondContact CA-O 3.46Å; V441-E447 WeakPolarHBondContact CB-O 3.31Å; Q442-E447 PolarHBondContact N-O 2.98Å; S445-E447 PolarHBondContact O-N 3.29Å; S445-E447 WeakPolarHBondContact OG-CB 3.11Å; S445-E447 WeakPolarHBondContact OG-CG 3.47Å; S445-E447 PolarHBondContact OG-N 3.15Å; S445-E447 VanDerWaalsContact OG-N 3.13Å; E447-L449 VanDerWaalsContact O-CD1 3.31Å; E447-L449 WeakPolarHBondContact O-CD1 3.46Å; E447-L449 PolarHBondContact O-N 3.04Å
448L98.3Very high95.1Very high0 Ų030.3 Ų30.30%015%0.153CC..EExtended strand (participates in β ladder)trans-76.3115.6179.8-172.772000110.4V315 P379 R380 M381 S382 A439 V441 G450 I451 A474 F477V315-L448 HydrophobicContact CG1-CD1 4.46Å; V315-L448 HydrophobicContact CG1-CD2 4.38Å; P379-L448 HydrophobicContact CB-CB 3.85Å; P379-L448 HydrophobicContact CG-CB 3.97Å; P379-L448 HydrophobicContact CG-CD2 4.26Å; R380-L448 PolarHBondContact O-N 3.14Å; M381-L448 HydrophobicContact CE-CD2 3.77Å; M381-L448 HydrophobicContact SD-CB 4.1Å; M381-L448 HydrophobicContact SD-CD2 3.51Å; M381-L448 VanDerWaalsContact SD-CD2 3.51Å; M381-L448 HydrophobicContact SD-CG 4.25Å; S382-L448 WeakPolarHBondContact CB-O 3.47Å; S382-L448 PolarHBondContact N-O 3.19Å; A439-L448 HydrophobicContact CB-CD1 3.55Å; V441-L448 HydrophobicContact CG1-CD1 4.12Å; L448-G450 WeakPolarHBondContact CD1-O 3.3Å; L448-I451 HydrophobicContact CD2-CD1 4.13Å; L448-A474 WeakPolarHBondContact O-CB 3.3Å; L448-F477 HydrophobicContact CD2-CZ 4.27Å
449L98.4Very high94.3Very high1 Ų136.9 Ų36.91%0.00519%0.187CC..EExtended strand (participates in β ladder)trans-80.8-34.6172.4-83.863.3000111.2F385 V391 L412 L425 V440 Q442 E447 P473 A474F385-L449 HydrophobicContact CD1-CB 4.4Å; F385-L449 HydrophobicContact CD1-CD2 4.33Å; F385-L449 HydrophobicContact CD1-CG 4.02Å; F385-L449 HydrophobicContact CE1-CB 3.97Å; F385-L449 HydrophobicContact CE1-CG 3.95Å; F385-L449 WeakPolarHBondContact CE1-O 3.34Å; V391-L449 HydrophobicContact CG1-CD2 3.68Å; L412-L449 HydrophobicContact CD1-CD2 4.46Å; L412-L449 HydrophobicContact CD2-CD2 4.39Å; L425-L449 HydrophobicContact CD1-CB 4.06Å; V440-L449 HydrophobicContact CG1-CB 4.35Å; V440-L449 PolarHBondContact O-N 3.04Å; Q442-L449 HydrophobicContact CB-CD1 3.93Å; E447-L449 VanDerWaalsContact O-CD1 3.31Å; E447-L449 WeakPolarHBondContact O-CD1 3.46Å; E447-L449 PolarHBondContact O-N 3.04Å; L449-P473 WeakPolarHBondContact O-CA 3.3Å; L449-A474 PolarHBondContact O-N 2.82Å
450G98.4Very high93.6Very high0 Ų041.5 Ų41.50%023%0.226CC..EExtended strand (participates in β ladder)trans171.4-172.4-179.800000114.1V440 L448 I472V440-G450 PolarHBondContact N-O 2.7Å; V440-G450 PolarHBondContact O-N 3.22Å; L448-G450 WeakPolarHBondContact CD1-O 3.3Å; G450-I472 CarbonylContact C-O 3.55Å; G450-I472 WeakPolarHBondContact CA-O 3.27Å
451I98.7Very high92.8Very high0 Ų044.1 Ų44.10%025%0.247CC..EExtended strand (participates in β ladder)trans-108.1129.6-178.3-54.7-61.1000109.4V315 V323 L364 G438 L448 S453 I471 I472 F477V315-I451 HydrophobicContact CB-CD1 4.02Å; V315-I451 HydrophobicContact CG2-CD1 3.57Å; V323-I451 HydrophobicContact CG1-CD1 4.26Å; V323-I451 HydrophobicContact CG1-CG1 3.99Å; L364-I451 HydrophobicContact CD2-CB 4.31Å; L364-I451 HydrophobicContact CD2-CG1 4.33Å; L364-I451 HydrophobicContact CD2-CG2 4.31Å; G438-I451 WeakPolarHBondContact O-CA 3.33Å; L448-I451 HydrophobicContact CD2-CD1 4.13Å; I451-S453 PolarHBondContact O-N 3.01Å; I451-I471 CarbonylContact O-C 3.51Å; I451-I471 WeakPolarHBondContact O-CA 3.39Å; I451-I472 PolarHBondContact N-O 3.35Å; I451-I472 PolarHBondContact O-N 3.26Å; I451-F477 HydrophobicContact CD1-CZ 4.18Å; I451-F477 HydrophobicContact CG1-CE1 3.75Å; I451-F477 HydrophobicContact CG1-CZ 3.72Å
452V98.4Very high92Very high0 Ų048.1 Ų48.10%028%0.275CS..EExtended strand (participates in β ladder)trans-62.3123.3174.5177.30000109.1C325 V393 V431 G437 G438 V440C325-V452 PolarHBondContact SG-O 3.25Å; V393-V452 HydrophobicContact CG1-CG2 3.91Å; V393-V452 HydrophobicContact CG2-CG2 4.31Å; V431-V452 HydrophobicContact CG1-CG1 3.61Å; G437-V452 PolarHBondContact N-O 3.36Å; G438-V452 PolarHBondContact O-N 3.22Å; V440-V452 HydrophobicContact CG2-CG2 3.55Å
453S96.9Very high91.2Very high8 Ų849.1 Ų49.16%0.05628%0.284CS..EExtended strand (participates in β ladder)trans-104.4-49.9179.8-171.50000113I451 F470I451-S453 PolarHBondContact O-N 3.01Å; S453-F470 VanDerWaalsContact CB-O 3.29Å; S453-F470 WeakPolarHBondContact CB-O 3.31Å; S453-F470 PolarHBondContact N-O 2.84Å
454S93.8Very high90.8Very high46 Ų4646.7 Ų46.732%0.32228%0.275SS..EExtended strand (participates in β ladder)trans-164167.7-173.658.40000112.3N469 F470S454-N469 CarbonylContact O-C 3.57Å; S454-N469 WeakPolarHBondContact O-CA 3.01Å; S454-N469 WeakPolarHBondContact O-CB 3.2Å; S454-F470 PolarHBondContact N-O 3.1Å; S454-F470 PolarHBondContact O-N 2.8Å
455N92.5Very high90.7Very high32 Ų3246.3 Ų46.317%0.17127%0.269CS..EExtended strand (participates in β ladder)trans-101.5157.1170.3-70.1-20.3000111V431 T464 N469V431-N455 WeakPolarHBondContact CB-OD1 3.48Å; V431-N455 VanDerWaalsContact CG1-OD1 3.31Å; V431-N455 WeakPolarHBondContact CG1-OD1 3.32Å; V431-N455 PolarHBondContact O-ND2 3.22Å; N455-T464 HydrophobicContact CB-CG2 3.57Å; N455-N469 WeakPolarHBondContact OD1-CB 3.41Å
456A90.3Very high90.5Very high10 Ų1044 Ų448%0.08325%0.253CS..EExtended strand (participates in β ladder)trans-66.9134.7166.300000110Y465 L468 F470A456-Y465 HydrophobicContact CB-CD2 4.46Å; A456-Y465 PolarHBondContact O-N 3.17Å; A456-L468 HydrophobicContact CB-CB 4.02Å; A456-L468 HydrophobicContact CB-CD2 3.62Å; A456-L468 HydrophobicContact CB-CG 3.71Å; A456-L468 WeakPolarHBondContact CB-O 3.41Å; A456-L468 PolarHBondContact N-O 3.43Å; A456-F470 HydrophobicContact CB-CE2 3.97Å; A456-F470 HydrophobicContact CB-CZ 4.01Å
457R87.1Confident90.4Very high150 Ų15045.4 Ų45.457%0.56626%0.257SS*.EExtended strand (participates in β ladder)trans-134.5130.7-178.7-171.1173.3-179.1177.71.9110L459 V463R457-L459 HydrophobicContact CG-CD2 4.24Å; R457-V463 CarbonylContact C-O 3.55Å; R457-V463 WeakPolarHBondContact CA-O 3.37Å; R457-V463 WeakPolarHBondContact CG-O 3.5Å
458D85.1Confident90.3Very high60 Ų6046.7 Ų46.732%0.32127%0.265SS..EExtended strand (participates in β ladder)trans-90.4111.8165.7-175.8-20.3000108.3A460 A461 S462 V463 Y465D458-A460 WeakPolarHBondContact OD1-CA 3.4Å; D458-A460 WeakPolarHBondContact OD1-CB 3.35Å; D458-A460 PolarHBondContact OD1-N 3.48Å; D458-A461 HydrophobicContact CB-CB 4.14Å; D458-A461 PolarHBondContact OD1-N 2.93Å; D458-S462 VanDerWaalsContact O-CA 3.29Å; D458-S462 WeakPolarHBondContact O-CA 3.37Å; D458-S462 PolarHBondContact O-N 2.85Å; D458-V463 PolarHBondContact N-O 2.77Å; D458-V463 PolarHBondContact O-N 3.34Å; D458-V463 VanDerWaalsContact O-N 3.08Å; D458-Y465 HydrophobicContact CB-CE2 3.9Å
459L82.3Confident90.2Very high138 Ų13846.7 Ų46.772%0.72327%0.265SS*.THydrogen-bonded Turntrans-74.4-28.2-179.1-62.2176.9000112.4R457R457-L459 HydrophobicContact CG-CD2 4.24Å
460A83.3Confident90.1Very high98 Ų9847.3 Ų47.381%0.8127%0.268SS*.THydrogen-bonded Turntrans-73.8-42.8178.800000110.6D458 S462D458-A460 WeakPolarHBondContact OD1-CA 3.4Å; D458-A460 WeakPolarHBondContact OD1-CB 3.35Å; D458-A460 PolarHBondContact OD1-N 3.48Å; A460-S462 VanDerWaalsContact C-N 3.34Å
461A81Confident90.1Very high55 Ų5547.3 Ų47.346%0.45527%0.268SS..THydrogen-bonded Turntrans-82.2-11.9175.900000113.4D458 V463D458-A461 HydrophobicContact CB-CB 4.14Å; D458-A461 PolarHBondContact OD1-N 2.93Å; A461-V463 HydrophobicContact CB-CB 4.27Å; A461-V463 HydrophobicContact CB-CG2 3.93Å; A461-V463 PolarHBondContact O-N 3.02Å
462S81.3Confident90.1Very high84 Ų8447.3 Ų47.359%0.58727%0.268SS*.THydrogen-bonded Turntrans54.335.2-169.8-65.10000113.4D458 A460D458-S462 VanDerWaalsContact O-CA 3.29Å; D458-S462 WeakPolarHBondContact O-CA 3.37Å; D458-S462 PolarHBondContact O-N 2.85Å; A460-S462 VanDerWaalsContact C-N 3.34Å
463V81.4Confident90.1Very high62 Ų6247.3 Ų47.338%0.37627%0.268SS..EExtended strand (participates in β ladder)trans-110.8134.4-177.8174.20000110.2R457 D458 A461 Y465R457-V463 CarbonylContact C-O 3.55Å; R457-V463 WeakPolarHBondContact CA-O 3.37Å; R457-V463 WeakPolarHBondContact CG-O 3.5Å; D458-V463 PolarHBondContact N-O 2.77Å; D458-V463 PolarHBondContact O-N 3.34Å; D458-V463 VanDerWaalsContact O-N 3.08Å; A461-V463 HydrophobicContact CB-CB 4.27Å; A461-V463 HydrophobicContact CB-CG2 3.93Å; A461-V463 PolarHBondContact O-N 3.02Å; V463-Y465 HydrophobicContact CG1-CD1 4.5Å; V463-Y465 HydrophobicContact CG1-CE1 4.13Å; V463-Y465 HydrophobicContact CG1-CE2 4.39Å
464T84.9Confident90.1Very high16 Ų1646.9 Ų46.910%0.09827%0.265CS..EExtended strand (participates in β ladder)trans-102.3136.4169.6-64.50000109.9E246 N455 P466E246-T464 VanDerWaalsContact CD-CB 3.48Å; E246-T464 WeakPolarHBondContact OE1-CB 3.34Å; E246-T464 PolarHBondContact OE1-OG1 3.21Å; N455-T464 HydrophobicContact CB-CG2 3.57Å; T464-P466 VanDerWaalsContact O-CD 3.31Å; T464-P466 WeakPolarHBondContact O-CD 3.35Å
465Y88.5Confident90.3Very high111 Ų11146.1 Ų46.144%0.43526%0.259SS..EExtended strand (participates in β ladder)trans-102.197.4179.1-60.1-82.9000109.8A456 D458 V463 H467 L468A456-Y465 HydrophobicContact CB-CD2 4.46Å; A456-Y465 PolarHBondContact O-N 3.17Å; D458-Y465 HydrophobicContact CB-CE2 3.9Å; V463-Y465 HydrophobicContact CG1-CD1 4.5Å; V463-Y465 HydrophobicContact CG1-CE1 4.13Å; V463-Y465 HydrophobicContact CG1-CE2 4.39Å; Y465-H467 PolarHBondContact O-N 2.85Å; Y465-L468 PolarHBondContact O-N 2.98Å; Y465-L468 VanDerWaalsContact O-N 3.14Å
466P88.8Confident90.4Very high8 Ų845.8 Ų45.85%0.05226%0.258CS..EExtended strand (participates in β ladder)trans-65.7-23.9-172.229.1-40000113.8W247 V431 T464 L468 N469W247-P466 HydrophobicContact CE3-CG 3.97Å; W247-P466 HydrophobicContact CZ3-CG 4.41Å; W247-P466 VanDerWaalsContact O-CG 3.31Å; W247-P466 WeakPolarHBondContact O-CG 3.23Å; V431-P466 PolarHBondContact N-O 3.06Å; T464-P466 VanDerWaalsContact O-CD 3.31Å; T464-P466 WeakPolarHBondContact O-CD 3.35Å; P466-L468 VanDerWaalsContact C-N 3.34Å; P466-N469 PolarHBondContact O-ND2 2.94Å
467H92.7Very high90.7Very high35 Ų3545.5 Ų45.516%0.16226%0.255CS..EExtended strand (participates in β ladder)trans-91.89.4179.8-66.1-73.9000113.8R211 W247 T427 T428 A430 Y465R211-H467 PolarHBondContact NH2-ND1 3.15Å; W247-H467 AromaticContact CH2-CD2 3.63Å; W247-H467 AromaticContact CH2-NE2 3.27Å; W247-H467 VanDerWaalsContact CH2-NE2 3.27Å; W247-H467 WeakPolarHBondContact CH2-NE2 3.31Å; W247-H467 AromaticContact CZ3-CD2 3.43Å; W247-H467 VanDerWaalsContact CZ3-CD2 3.43Å; W247-H467 WeakPolarHBondContact CZ3-CD2 3.42Å; W247-H467 AromaticContact CZ3-NE2 3.58Å; T427-H467 VanDerWaalsContact O-O 3.13Å; T428-H467 WeakPolarHBondContact CA-O 3.38Å; T428-H467 PolarHBondContact O-ND1 3.36Å; A430-H467 VanDerWaalsContact CB-CE1 3.43Å; A430-H467 WeakPolarHBondContact CB-CE1 3.28Å; Y465-H467 PolarHBondContact O-N 2.85Å
468L94.3Very high91.2Very high67 Ų6739.6 Ų39.635%0.35123%0.234SC..EExtended strand (participates in β ladder)trans-131.8101.1170.8179.761.2000108A456 Y465 P466A456-L468 HydrophobicContact CB-CB 4.02Å; A456-L468 HydrophobicContact CB-CD2 3.62Å; A456-L468 HydrophobicContact CB-CG 3.71Å; A456-L468 WeakPolarHBondContact CB-O 3.41Å; A456-L468 PolarHBondContact N-O 3.43Å; Y465-L468 PolarHBondContact O-N 2.98Å; Y465-L468 VanDerWaalsContact O-N 3.14Å; P466-L468 VanDerWaalsContact C-N 3.34Å
469N95.4Very high91.6Very high0 Ų045.2 Ų45.20%025%0.25CS..EExtended strand (participates in β ladder)trans-126.7156.4-17344.467.1000111.2Q426 T427 C429 V431 S454 N455 P466 I471Q426-N469 VanDerWaalsContact CA-O 3.29Å; Q426-N469 WeakPolarHBondContact CA-O 3.39Å; T427-N469 WeakPolarHBondContact CB-OD1 3.36Å; T427-N469 PolarHBondContact N-OD1 3.44Å; T427-N469 PolarHBondContact O-ND2 2.82Å; T427-N469 PolarHBondContact O-OD1 2.83Å; T427-N469 PolarHBondContact OG1-ND2 2.94Å; T427-N469 PolarHBondContact OG1-OD1 3.43Å; C429-N469 PolarHBondContact O-ND2 2.84Å; V431-N469 HydrophobicContact CB-CB 4.22Å; V431-N469 HydrophobicContact CG2-CB 4.01Å; V431-N469 VanDerWaalsContact CG2-ND2 3.25Å; V431-N469 WeakPolarHBondContact CG2-ND2 3.42Å; S454-N469 CarbonylContact O-C 3.57Å; S454-N469 WeakPolarHBondContact O-CA 3.01Å; S454-N469 WeakPolarHBondContact O-CB 3.2Å; N455-N469 WeakPolarHBondContact OD1-CB 3.41Å; P466-N469 PolarHBondContact O-ND2 2.94Å; N469-I471 HydrophobicContact CB-CD1 4.05Å; N469-I471 WeakPolarHBondContact OD1-CD1 3.25Å
470F97.7Very high92.3Very high13 Ų1339.1 Ų39.16%0.05722%0.219CC..EExtended strand (participates in β ladder)trans-115.4125.9-176.8-51.7-71000110.1M424 Q426 S453 S454 A456 W507 L509M424-F470 HydrophobicContact CE-CB 4.37Å; M424-F470 HydrophobicContact CE-CD1 4.01Å; M424-F470 HydrophobicContact CE-CG 4.36Å; M424-F470 HydrophobicContact CG-CB 4.47Å; M424-F470 HydrophobicContact CG-CD1 4.33Å; M424-F470 HydrophobicContact SD-CB 4.47Å; M424-F470 HydrophobicContact SD-CD1 3.51Å; M424-F470 VanDerWaalsContact SD-CD1 3.51Å; M424-F470 HydrophobicContact SD-CE1 4.16Å; M424-F470 HydrophobicContact SD-CG 4.33Å; Q426-F470 HydrophobicContact CG-CD1 4.17Å; Q426-F470 HydrophobicContact CG-CE1 4.46Å; S453-F470 VanDerWaalsContact CB-O 3.29Å; S453-F470 WeakPolarHBondContact CB-O 3.31Å; S453-F470 PolarHBondContact N-O 2.84Å; S454-F470 PolarHBondContact N-O 3.1Å; S454-F470 PolarHBondContact O-N 2.8Å; A456-F470 HydrophobicContact CB-CE2 3.97Å; A456-F470 HydrophobicContact CB-CZ 4.01Å; F470-W507 HydrophobicContact CB-CH2 4.3Å; F470-W507 HydrophobicContact CB-CZ3 3.92Å; F470-L509 HydrophobicContact CD1-CD2 4.4Å; F470-L509 HydrophobicContact CE1-CD1 4.41Å; F470-L509 HydrophobicContact CE1-CD2 3.6Å; F470-L509 HydrophobicContact CE2-CD1 4.07Å; F470-L509 HydrophobicContact CE2-CD2 4.49Å; F470-L509 HydrophobicContact CZ-CD1 3.61Å; F470-L509 HydrophobicContact CZ-CD2 3.67Å; F470-L509 HydrophobicContact CZ-CG 4.25Å
471I98.6Very high92.9Very high0 Ų034.9 Ų34.90%018%0.183CC..EExtended strand (participates in β ladder)trans-118.9136.8-170.5-7555.6000108.6L425 T427 V440 I451 N469 P473L425-I471 HydrophobicContact CB-CB 3.94Å; L425-I471 HydrophobicContact CB-CG2 4.08Å; L425-I471 HydrophobicContact CD1-CG2 4.02Å; L425-I471 HydrophobicContact CG-CG2 4.3Å; L425-I471 PolarHBondContact N-O 2.81Å; L425-I471 PolarHBondContact O-N 3.23Å; T427-I471 HydrophobicContact CG2-CD1 4.09Å; T427-I471 HydrophobicContact CG2-CG1 4.27Å; V440-I471 HydrophobicContact CB-CG1 4.4Å; V440-I471 HydrophobicContact CG2-CD1 4.31Å; V440-I471 HydrophobicContact CG2-CG1 3.43Å; V440-I471 VanDerWaalsContact CG2-CG1 3.43Å; V440-I471 HydrophobicContact CG2-CG2 4.21Å; I451-I471 CarbonylContact O-C 3.51Å; I451-I471 WeakPolarHBondContact O-CA 3.39Å; N469-I471 HydrophobicContact CB-CD1 4.05Å; N469-I471 WeakPolarHBondContact OD1-CD1 3.25Å; I471-P473 VanDerWaalsContact O-CD 3.31Å; I471-P473 WeakPolarHBondContact O-CD 3.48Å
472I98.4Very high93.6Very high0 Ų036.6 Ų36.60%018%0.182CC..EExtended strand (participates in β ladder)trans-82.7111.7172.1-57.4172.4000107.7Y362 D363 L364 G450 I451 V476 F477 W507Y362-I472 HydrophobicContact CD1-CG1 4.36Å; Y362-I472 HydrophobicContact CD1-CG2 3.83Å; Y362-I472 HydrophobicContact CE1-CG2 4.4Å; Y362-I472 HydrophobicContact CG-CG2 4.49Å; D363-I472 WeakPolarHBondContact O-CD1 3.13Å; L364-I472 HydrophobicContact CD1-CD1 4.41Å; L364-I472 HydrophobicContact CD1-CG2 3.86Å; L364-I472 HydrophobicContact CD2-CD1 3.78Å; L364-I472 HydrophobicContact CG-CD1 3.66Å; L364-I472 HydrophobicContact CG-CG2 4.29Å; G450-I472 CarbonylContact C-O 3.55Å; G450-I472 WeakPolarHBondContact CA-O 3.27Å; I451-I472 PolarHBondContact N-O 3.35Å; I451-I472 PolarHBondContact O-N 3.26Å; I472-V476 HydrophobicContact CG2-CB 4.17Å; I472-V476 HydrophobicContact CG2-CG1 4.1Å; I472-V476 HydrophobicContact CG2-CG2 4.5Å; I472-F477 HydrophobicContact CG2-CD1 4.41Å; I472-W507 HydrophobicContact CG1-CH2 3.53Å; I472-W507 HydrophobicContact CG1-CZ2 3.83Å; I472-W507 HydrophobicContact CG1-CZ3 4.44Å
473P98.1Very high94.4Very high0 Ų037.8 Ų37.80%018%0.178CC..EExtended strand (participates in β ladder)trans-61141-175.9-14.322.7000112.2F385 P422 L425 L449 I471 P475 V476F385-P473 HydrophobicContact CZ-CB 4.34Å; P422-P473 HydrophobicContact CB-CB 4.03Å; P422-P473 HydrophobicContact CB-CG 3.99Å; P422-P473 HydrophobicContact CG-CB 4.14Å; L425-P473 HydrophobicContact CD1-CB 4.29Å; L425-P473 HydrophobicContact CD2-CB 4.42Å; L425-P473 HydrophobicContact CD2-CG 4.22Å; L425-P473 HydrophobicContact CG-CB 4.14Å; L425-P473 HydrophobicContact CG-CG 3.95Å; L449-P473 WeakPolarHBondContact O-CA 3.3Å; I471-P473 VanDerWaalsContact O-CD 3.31Å; I471-P473 WeakPolarHBondContact O-CD 3.48Å; P473-P475 VanDerWaalsContact C-CD 3.46Å; P473-P475 VanDerWaalsContact C-N 3.33Å; P473-V476 HydrophobicContact CB-CG2 4.21Å; P473-V476 HydrophobicContact CG-CG2 4.09Å; P473-V476 VanDerWaalsContact O-CB 3.23Å; P473-V476 WeakPolarHBondContact O-CB 3.47Å; P473-V476 WeakPolarHBondContact O-CG2 3.35Å; P473-V476 PolarHBondContact O-N 3.09Å
474A97.8Very high95.1Very high0 Ų035 Ų350%016%0.161CC..Hα-helixtrans-52.5-40.8178.200000114.2M381 L448 L449 V476 F477 Q478M381-A474 HydrophobicContact CB-CB 4.21Å; M381-A474 HydrophobicContact SD-CB 3.74Å; L448-A474 WeakPolarHBondContact O-CB 3.3Å; L449-A474 PolarHBondContact O-N 2.82Å; A474-V476 PolarHBondContact O-N 3.09Å; A474-V476 VanDerWaalsContact O-N 3.07Å; A474-F477 HydrophobicContact CB-CZ 4.28Å; A474-F477 PolarHBondContact O-N 2.69Å; A474-Q478 VanDerWaalsContact O-CB 3.3Å; A474-Q478 WeakPolarHBondContact O-CB 3.44Å; A474-Q478 PolarHBondContact O-N 3.1Å
475P96.3Very high95.6Very high30 Ų3038.1 Ų38.120%0.19517%0.174CC..Hα-helixtrans-58.1-22.9176.6-29.437.4000115.1F385 P422 P473 F477F385-P475 HydrophobicContact CE2-CG 3.92Å; F385-P475 HydrophobicContact CZ-CG 3.9Å; P422-P475 HydrophobicContact CG-CB 4.19Å; P422-P475 HydrophobicContact CG-CG 4.07Å; P473-P475 VanDerWaalsContact C-CD 3.46Å; P473-P475 VanDerWaalsContact C-N 3.33Å; P475-F477 VanDerWaalsContact C-N 3.31Å; P475-F477 PolarHBondContact O-N 3.41Å
476V96Very high95.9Very high25 Ų2541.3 Ų41.315%0.15219%0.19CC..Hα-helixtrans-62.1-38.3179.1171.20000111.6Y362 I472 P473 A474 L496Y362-V476 HydrophobicContact CD1-CG1 3.99Å; Y362-V476 HydrophobicContact CD2-CG1 3.75Å; Y362-V476 HydrophobicContact CE1-CG1 3.89Å; Y362-V476 HydrophobicContact CE1-CG2 3.98Å; Y362-V476 HydrophobicContact CE2-CG1 3.64Å; Y362-V476 HydrophobicContact CG-CG1 3.92Å; I472-V476 HydrophobicContact CG2-CB 4.17Å; I472-V476 HydrophobicContact CG2-CG1 4.1Å; I472-V476 HydrophobicContact CG2-CG2 4.5Å; P473-V476 HydrophobicContact CB-CG2 4.21Å; P473-V476 HydrophobicContact CG-CG2 4.09Å; P473-V476 VanDerWaalsContact O-CB 3.23Å; P473-V476 WeakPolarHBondContact O-CB 3.47Å; P473-V476 WeakPolarHBondContact O-CG2 3.35Å; P473-V476 PolarHBondContact O-N 3.09Å; A474-V476 PolarHBondContact O-N 3.09Å; A474-V476 VanDerWaalsContact O-N 3.07Å; V476-L496 HydrophobicContact CG1-CD2 3.69Å; V476-L496 WeakPolarHBondContact O-CD2 3.4Å
477F96.3Very high96.3Very high4 Ų444.5 Ų44.52%0.01821%0.21CC..Hα-helixtrans-116.3-10.9-175.960.8-92.7000113.9V323 L364 M381 L448 I451 I472 A474 P475 R479 S480 L481V323-F477 HydrophobicContact CG2-CD2 4.5Å; V323-F477 HydrophobicContact CG2-CE2 4.43Å; L364-F477 HydrophobicContact CD1-CB 3.99Å; L364-F477 HydrophobicContact CD1-CD1 3.77Å; L364-F477 HydrophobicContact CD1-CG 4.13Å; M381-F477 HydrophobicContact CE-CE2 3.99Å; M381-F477 HydrophobicContact SD-CE2 4.18Å; M381-F477 HydrophobicContact SD-CZ 4.41Å; L448-F477 HydrophobicContact CD2-CZ 4.27Å; I451-F477 HydrophobicContact CD1-CZ 4.18Å; I451-F477 HydrophobicContact CG1-CE1 3.75Å; I451-F477 HydrophobicContact CG1-CZ 3.72Å; I472-F477 HydrophobicContact CG2-CD1 4.41Å; A474-F477 HydrophobicContact CB-CZ 4.28Å; A474-F477 PolarHBondContact O-N 2.69Å; P475-F477 VanDerWaalsContact C-N 3.31Å; P475-F477 PolarHBondContact O-N 3.41Å; F477-R479 PolarHBondContact O-N 2.76Å; F477-S480 PolarHBondContact O-N 3.5Å; F477-L481 WeakPolarHBondContact O-CB 3.36Å; F477-L481 PolarHBondContact O-N 2.82Å
478Q96.1Very high96.4Very high25 Ų2550 Ų5012%0.11723%0.229CC..Hα-helixtrans-57.4-43.4-177.4178177.22.900113.1M381 A474 L481 Q482M381-Q478 HydrophobicContact CB-CG 4.22Å; M381-Q478 HydrophobicContact CG-CB 4.48Å; M381-Q478 HydrophobicContact CG-CG 4.11Å; A474-Q478 VanDerWaalsContact O-CB 3.3Å; A474-Q478 WeakPolarHBondContact O-CB 3.44Å; A474-Q478 PolarHBondContact O-N 3.1Å; Q478-L481 PolarHBondContact O-N 3.22Å; Q478-Q482 VanDerWaalsContact O-CG 3.3Å; Q478-Q482 WeakPolarHBondContact O-CG 3.38Å; Q478-Q482 PolarHBondContact O-N 3.25Å
479R94Very high96.5Very high178 Ų17850.4 Ų50.467%0.67223%0.232SC*.Hα-helixtrans-65.5-48.6-179.1-68.6-172.1-172.81504111.5F477 L481 Q482 E483F477-R479 PolarHBondContact O-N 2.76Å; R479-L481 VanDerWaalsContact C-N 3.27Å; R479-L481 PolarHBondContact O-N 2.97Å; R479-Q482 PolarHBondContact O-N 3.01Å; R479-E483 PolarHBondContact O-N 2.66Å
480S96.9Very high96.6Very high10 Ų1052.3 Ų52.37%0.0724%0.243CC..Hα-helixtrans-59-39.8176.1-59.80000111.6F477 E483 F484 V492 F493F477-S480 PolarHBondContact O-N 3.5Å; S480-E483 PolarHBondContact O-N 3.33Å; S480-F484 VanDerWaalsContact O-CB 3.28Å; S480-F484 WeakPolarHBondContact O-CB 3.43Å; S480-F484 PolarHBondContact O-N 3.2Å; S480-V492 WeakPolarHBondContact CB-O 3.13Å; S480-V492 VanDerWaalsContact O-CG2 3.29Å; S480-V492 WeakPolarHBondContact O-CG2 3.25Å; S480-V492 PolarHBondContact OG-O 3Å; S480-F493 VanDerWaalsContact CB-CD1 3.42Å; S480-F493 VanDerWaalsContact CB-CE1 3.47Å
481L96.6Very high96.5Very high9 Ų957.2 Ų57.25%0.04727%0.27CS..Hα-helixtrans-63.9-45.7176-176.467.4000112.5V317 L321 L366 M381 F477 Q478 R479 E483 F484 Q485 F493V317-L481 HydrophobicContact CB-CD2 3.72Å; V317-L481 HydrophobicContact CG1-CD2 4.37Å; V317-L481 HydrophobicContact CG2-CD1 3.86Å; V317-L481 HydrophobicContact CG2-CD2 3.68Å; V317-L481 HydrophobicContact CG2-CG 4.43Å; L321-L481 HydrophobicContact CD1-CD1 4.14Å; L366-L481 HydrophobicContact CD1-CD1 4.22Å; M381-L481 HydrophobicContact CE-CD2 4.28Å; F477-L481 WeakPolarHBondContact O-CB 3.36Å; F477-L481 PolarHBondContact O-N 2.82Å; Q478-L481 PolarHBondContact O-N 3.22Å; R479-L481 VanDerWaalsContact C-N 3.27Å; R479-L481 PolarHBondContact O-N 2.97Å; L481-E483 VanDerWaalsContact C-N 3.3Å; L481-E483 PolarHBondContact O-N 2.68Å; L481-F484 PolarHBondContact O-N 3.12Å; L481-Q485 WeakPolarHBondContact O-CG 3.49Å; L481-Q485 PolarHBondContact O-N 2.8Å; L481-F493 HydrophobicContact CB-CZ 4.46Å; L481-F493 HydrophobicContact CD1-CZ 4.45Å
482Q95.8Very high96.5Very high91 Ų9158.5 Ų58.543%0.42528%0.278SS..Hα-helixtrans-62.5-38.1177.6-74.3173.9-1500112.1Q478 R479 K486Q478-Q482 VanDerWaalsContact O-CG 3.3Å; Q478-Q482 WeakPolarHBondContact O-CG 3.38Å; Q478-Q482 PolarHBondContact O-N 3.25Å; R479-Q482 PolarHBondContact O-N 3.01Å; Q482-K486 WeakPolarHBondContact O-CG 3.37Å; Q482-K486 PolarHBondContact O-N 3.11Å
483E97.1Very high96.4Very high109 Ų10958.8 Ų58.851%0.50928%0.279SS..Hα-helixtrans-74.1-40.9178.2-162.415115700112.1R479 S480 L481 Q485 K486 T487 V492R479-E483 PolarHBondContact O-N 2.66Å; S480-E483 PolarHBondContact O-N 3.33Å; L481-E483 VanDerWaalsContact C-N 3.3Å; L481-E483 PolarHBondContact O-N 2.68Å; E483-Q485 VanDerWaalsContact C-N 3.32Å; E483-Q485 PolarHBondContact O-N 2.93Å; E483-K486 PolarHBondContact O-N 3.32Å; E483-K486 VanDerWaalsContact O-N 3.09Å; E483-T487 HydrophobicContact CG-CG2 4.04Å; E483-T487 WeakPolarHBondContact O-CG2 3.46Å; E483-T487 PolarHBondContact O-N 3.47Å; E483-T487 PolarHBondContact O-OG1 2.8Å; E483-V492 HydrophobicContact CB-CB 4.49Å; E483-V492 HydrophobicContact CB-CG1 4.24Å; E483-V492 HydrophobicContact CG-CG1 3.97Å
484F97.8Very high96.2Very high4 Ų461.9 Ų61.92%0.01830%0.301CS..Hα-helixtrans-58.2-43172.9174.2-104.8000111.9L321 L353 L366 S480 L481 K486 T487 R488 V490 V492 F493L321-F484 HydrophobicContact CD1-CD1 3.94Å; L321-F484 HydrophobicContact CD1-CE1 3.72Å; L321-F484 HydrophobicContact CD2-CE1 3.9Å; L321-F484 HydrophobicContact CG-CE1 4.47Å; L353-F484 HydrophobicContact CD1-CE1 4.09Å; L353-F484 HydrophobicContact CD1-CE2 4.24Å; L353-F484 HydrophobicContact CD1-CZ 3.46Å; L353-F484 VanDerWaalsContact CD1-CZ 3.46Å; L366-F484 HydrophobicContact CD2-CD1 4.07Å; L366-F484 HydrophobicContact CD2-CE1 4.03Å; L366-F484 HydrophobicContact CD2-CZ 4.44Å; S480-F484 VanDerWaalsContact O-CB 3.28Å; S480-F484 WeakPolarHBondContact O-CB 3.43Å; S480-F484 PolarHBondContact O-N 3.2Å; L481-F484 PolarHBondContact O-N 3.12Å; F484-K486 PolarHBondContact O-N 3.5Å; F484-T487 PolarHBondContact O-N 3.44Å; F484-R488 WeakPolarHBondContact O-CA 3.44Å; F484-R488 PolarHBondContact O-N 2.93Å; F484-V490 HydrophobicContact CD2-CG2 4.31Å; F484-V490 HydrophobicContact CE2-CG2 3.73Å; F484-V492 HydrophobicContact CB-CG2 3.89Å; F484-F493 HydrophobicContact CB-CE2 3.63Å; F484-F493 HydrophobicContact CB-CZ 4.02Å; F484-F493 HydrophobicContact CD1-CE2 4.42Å; F484-F493 HydrophobicContact CD2-CE2 4.17Å; F484-F493 AromaticContact CG-CE2 3.81Å; F484-F493 HydrophobicContact CG-CE2 3.81Å; F484-F493 HydrophobicContact CG-CZ 4.41Å
485Q93.5Very high96.1Very high81 Ų8166 Ų6638%0.37933%0.326SS..Hα-helixtrans-60.9-29.4177.3-76.8176.6-21.400112.9L321 L481 E483L321-Q485 HydrophobicContact CD1-CG 4.37Å; L481-Q485 WeakPolarHBondContact O-CG 3.49Å; L481-Q485 PolarHBondContact O-N 2.8Å; E483-Q485 VanDerWaalsContact C-N 3.32Å; E483-Q485 PolarHBondContact O-N 2.93Å
486K95.6Very high96Very high179 Ų17964.9 Ų64.978%0.77832%0.318SS*.Hα-helixtrans-85.9-42178.5-67.4174.1-175.3179.20113Q482 E483 F484Q482-K486 WeakPolarHBondContact O-CG 3.37Å; Q482-K486 PolarHBondContact O-N 3.11Å; E483-K486 PolarHBondContact O-N 3.32Å; E483-K486 VanDerWaalsContact O-N 3.09Å; F484-K486 PolarHBondContact O-N 3.5Å
487T96.8Very high96Very high75 Ų7564.8 Ų64.846%0.4632%0.317SS..Hα-helixtrans-103.3-20.2-168.3640000113.5E483 F484 N489E483-T487 HydrophobicContact CG-CG2 4.04Å; E483-T487 WeakPolarHBondContact O-CG2 3.46Å; E483-T487 PolarHBondContact O-N 3.47Å; E483-T487 PolarHBondContact O-OG1 2.8Å; F484-T487 PolarHBondContact O-N 3.44Å; T487-N489 PolarHBondContact O-N 3.08Å; T487-N489 VanDerWaalsContact O-N 3.09Å; T487-N489 WeakPolarHBondContact OG1-CB 3.45Å; T487-N489 PolarHBondContact OG1-N 3.41Å; T487-N489 VanDerWaalsContact OG1-N 3.15Å
488R95.8Very high95.6Very high150 Ų15068.4 Ų68.457%0.56635%0.347SS*.  trans54.616.3-166.5-58.9-63.8179.4156.7-0.2114.1E368 F484E368-R488 IonicContact OE1-NH1 3.47Å; E368-R488 PolarHBondContact OE1-NH1 2.92Å; F484-R488 WeakPolarHBondContact O-CA 3.44Å; F484-R488 PolarHBondContact O-N 2.93Å
489N97Very high94.9Very high75 Ų7568.2 Ų68.240%0.40135%0.348SS..  trans-84.9115.1175.3-176.4-3.6000110.1T487 D491 V492T487-N489 PolarHBondContact O-N 3.08Å; T487-N489 VanDerWaalsContact O-N 3.09Å; T487-N489 WeakPolarHBondContact OG1-CB 3.45Å; T487-N489 PolarHBondContact OG1-N 3.41Å; T487-N489 VanDerWaalsContact OG1-N 3.15Å; N489-D491 VanDerWaalsContact C-N 3.29Å; N489-D491 PolarHBondContact O-N 2.85Å; N489-D491 VanDerWaalsContact OD1-CB 3.31Å; N489-D491 WeakPolarHBondContact OD1-CB 3.35Å; N489-D491 PolarHBondContact OD1-N 2.99Å; N489-V492 HydrophobicContact CB-CG1 4.36Å; N489-V492 WeakPolarHBondContact O-CG1 3.41Å; N489-V492 WeakPolarHBondContact O-CG2 3.12Å
490V96.6Very high94.5Very high41 Ų4164.9 Ų64.925%0.24834%0.34CS..G310 helixtrans-70.9-24179.8178.30000112.4L353 F354 F484 V492 F493L353-V490 WeakPolarHBondContact O-CG1 3.27Å; F354-V490 HydrophobicContact CB-CG1 3.85Å; F354-V490 HydrophobicContact CD2-CG1 4.27Å; F354-V490 HydrophobicContact CG-CG1 4.48Å; F484-V490 HydrophobicContact CD2-CG2 4.31Å; F484-V490 HydrophobicContact CE2-CG2 3.73Å; V490-V492 PolarHBondContact O-N 3Å; V490-F493 WeakPolarHBondContact O-CD2 2.99Å; V490-F493 PolarHBondContact O-N 3.35Å; V490-F493 VanDerWaalsContact O-N 3.08Å
491D96.4Very high94.1Very high115 Ų11573.9 Ų73.962%0.61537%0.372SS*.G310 helixtrans-64.9-15.1-176.8-66.8-34.9000113.4N489 F493 S494N489-D491 VanDerWaalsContact C-N 3.29Å; N489-D491 PolarHBondContact O-N 2.85Å; N489-D491 VanDerWaalsContact OD1-CB 3.31Å; N489-D491 WeakPolarHBondContact OD1-CB 3.35Å; N489-D491 PolarHBondContact OD1-N 2.99Å; D491-F493 PolarHBondContact O-N 2.79Å; D491-F493 VanDerWaalsContact O-N 3.11Å; D491-S494 WeakPolarHBondContact O-CB 3.43Å; D491-S494 PolarHBondContact O-N 3.46Å; D491-S494 PolarHBondContact O-OG 3.02Å
492V97.4Very high93.7Very high27 Ų2776.8 Ų76.816%0.16439%0.388CS..G310 helixtrans-60-19.4172.9-55.50000113S480 E483 F484 N489 V490S480-V492 WeakPolarHBondContact CB-O 3.13Å; S480-V492 VanDerWaalsContact O-CG2 3.29Å; S480-V492 WeakPolarHBondContact O-CG2 3.25Å; S480-V492 PolarHBondContact OG-O 3Å; E483-V492 HydrophobicContact CB-CB 4.49Å; E483-V492 HydrophobicContact CB-CG1 4.24Å; E483-V492 HydrophobicContact CG-CG1 3.97Å; F484-V492 HydrophobicContact CB-CG2 3.89Å; N489-V492 HydrophobicContact CB-CG1 4.36Å; N489-V492 WeakPolarHBondContact O-CG1 3.41Å; N489-V492 WeakPolarHBondContact O-CG2 3.12Å; V490-V492 PolarHBondContact O-N 3Å
493F97Very high93.5Very high6 Ų673 Ų733%0.02637%0.371CS..G310 helixtrans-86.6-8.4174.3-66.2-79000113.5F354 L366 S480 L481 F484 V490 D491 V495 L496F354-F493 HydrophobicContact CD1-CB 3.69Å; F354-F493 HydrophobicContact CD1-CG 4.16Å; F354-F493 HydrophobicContact CD2-CB 3.79Å; F354-F493 HydrophobicContact CE1-CB 3.64Å; F354-F493 HydrophobicContact CE1-CG 4.44Å; F354-F493 HydrophobicContact CE2-CB 3.72Å; F354-F493 HydrophobicContact CG-CB 3.77Å; F354-F493 HydrophobicContact CG-CG 4.3Å; F354-F493 HydrophobicContact CZ-CB 3.64Å; F354-F493 VanDerWaalsContact CZ-O 3.3Å; F354-F493 WeakPolarHBondContact CZ-O 3.39Å; L366-F493 HydrophobicContact CD2-CD2 4.37Å; L366-F493 HydrophobicContact CD2-CE2 3.53Å; L366-F493 HydrophobicContact CD2-CZ 3.7Å; S480-F493 VanDerWaalsContact CB-CD1 3.42Å; S480-F493 VanDerWaalsContact CB-CE1 3.47Å; L481-F493 HydrophobicContact CB-CZ 4.46Å; L481-F493 HydrophobicContact CD1-CZ 4.45Å; F484-F493 HydrophobicContact CB-CE2 3.63Å; F484-F493 HydrophobicContact CB-CZ 4.02Å; F484-F493 HydrophobicContact CD1-CE2 4.42Å; F484-F493 HydrophobicContact CD2-CE2 4.17Å; F484-F493 AromaticContact CG-CE2 3.81Å; F484-F493 HydrophobicContact CG-CE2 3.81Å; F484-F493 HydrophobicContact CG-CZ 4.41Å; V490-F493 WeakPolarHBondContact O-CD2 2.99Å; V490-F493 PolarHBondContact O-N 3.35Å; V490-F493 VanDerWaalsContact O-N 3.08Å; D491-F493 PolarHBondContact O-N 2.79Å; D491-F493 VanDerWaalsContact O-N 3.11Å; F493-V495 PolarHBondContact O-N 3.25Å; F493-V495 VanDerWaalsContact O-N 3.12Å; F493-L496 HydrophobicContact CB-CD1 4.43Å; F493-L496 HydrophobicContact CD1-CD1 4Å; F493-L496 VanDerWaalsContact O-CB 3.31Å; F493-L496 WeakPolarHBondContact O-CB 3.49Å; F493-L496 WeakPolarHBondContact O-CG 2.97Å; F493-L496 PolarHBondContact O-N 2.85Å
494S94.6Very high93.2Very high66 Ų6671.6 Ų71.646%0.46236%0.361SS..G310 helixtrans-58.5-27.4178.765.70000113.1D491 L496 N497D491-S494 WeakPolarHBondContact O-CB 3.43Å; D491-S494 PolarHBondContact O-N 3.46Å; D491-S494 PolarHBondContact O-OG 3.02Å; S494-L496 PolarHBondContact O-N 2.9Å; S494-N497 WeakPolarHBondContact O-CB 3.41Å; S494-N497 PolarHBondContact O-N 3.28Å
495V94.4Very high92.8Very high86 Ų8676.5 Ų76.552%0.52138%0.379SS..G310 helixtrans-56.1-31174.270.20000112.8F493 N497 A498F493-V495 PolarHBondContact O-N 3.25Å; F493-V495 VanDerWaalsContact O-N 3.12Å; V495-N497 PolarHBondContact O-N 3.31Å; V495-N497 VanDerWaalsContact O-N 3.16Å; V495-A498 PolarHBondContact O-N 2.8Å
496L95.1Very high92.8Very high6 Ų674 Ų743%0.03137%0.37CS..G310 helixtrans-65.7-17.9177-60.2178.9000112.5F354 T356 S360 Y362 L364 V476 F493 S494F354-L496 HydrophobicContact CE1-CD1 4.05Å; T356-L496 HydrophobicContact CG2-CB 3.8Å; T356-L496 HydrophobicContact CG2-CD1 4.23Å; S360-L496 PolarHBondContact OG-O 3.3Å; Y362-L496 HydrophobicContact CD2-CD2 4.41Å; L364-L496 HydrophobicContact CD1-CD1 4.29Å; V476-L496 HydrophobicContact CG1-CD2 3.69Å; V476-L496 WeakPolarHBondContact O-CD2 3.4Å; F493-L496 HydrophobicContact CB-CD1 4.43Å; F493-L496 HydrophobicContact CD1-CD1 4Å; F493-L496 VanDerWaalsContact O-CB 3.31Å; F493-L496 WeakPolarHBondContact O-CB 3.49Å; F493-L496 WeakPolarHBondContact O-CG 2.97Å; F493-L496 PolarHBondContact O-N 2.85Å; S494-L496 PolarHBondContact O-N 2.9Å
497N94.7Very high92.6Very high23 Ų2367.4 Ų67.412%0.12334%0.34CS..G310 helixtrans-91.7-20.6174.6-61.9-47.4000112.9T356 K357 S494 V495 T499T356-N497 WeakPolarHBondContact CA-OD1 3.32Å; K357-N497 HydrophobicContact CD-CB 4.41Å; K357-N497 PolarHBondContact N-OD1 3.03Å; S494-N497 WeakPolarHBondContact O-CB 3.41Å; S494-N497 PolarHBondContact O-N 3.28Å; V495-N497 PolarHBondContact O-N 3.31Å; V495-N497 VanDerWaalsContact O-N 3.16Å; N497-T499 PolarHBondContact O-N 2.97Å
498A87.8Confident92.3Very high80 Ų8071.7 Ų71.766%0.66135%0.348SS*.SBendtrans-96.945-173.800000112.3V495V495-A498 PolarHBondContact O-N 2.8Å
499T81.9Confident91.8Very high21 Ų2169.7 Ų69.713%0.12935%0.348CS..  trans-80.9145.9-177.165.10000112.8P361 Y362 N497 R504P361-T499 WeakPolarHBondContact CD-OG1 3.38Å; P361-T499 HydrophobicContact CG-CG2 3.62Å; P361-T499 VanDerWaalsContact CG-OG1 3.31Å; P361-T499 WeakPolarHBondContact CG-OG1 3.16Å; Y362-T499 HydrophobicContact CD2-CG2 3.82Å; Y362-T499 HydrophobicContact CE2-CG2 3.67Å; N497-T499 PolarHBondContact O-N 2.97Å; T499-R504 PolarHBondContact OG1-NE 2.74Å
500E85.9Confident90.9Very high108 Ų10871.3 Ų71.351%0.50535%0.353SS..  trans-57.7156172.1-62.9177.5-166.100112.7N419 D502 V503 R504N419-E500 PolarHBondContact ND2-OE2 3.14Å; E500-D502 PolarHBondContact O-N 3.18Å; E500-V503 HydrophobicContact CB-CG2 4.31Å; E500-V503 PolarHBondContact O-N 2.87Å; E500-R504 PolarHBondContact O-N 3.27Å
501R87.4Confident89.4Confident199 Ų19972.3 Ų72.375%0.75137%0.372SS*.Hα-helixtrans-60.4-34.4179.8-65.4-171.5-150.4179.78.4112.3R504 R505R501-R504 WeakPolarHBondContact O-CB 3.35Å; R501-R504 PolarHBondContact O-N 3.42Å; R501-R505 PolarHBondContact O-N 3.3Å
502D88.7Confident87.6Confident70 Ų7071.2 Ų71.237%0.37438%0.379SS..Hα-helixtrans-70.4-36.4-176.3-65.8-24.1000111.9L418 E500 R504 R505 V506L418-D502 HydrophobicContact CD1-CB 3.91Å; E500-D502 PolarHBondContact O-N 3.18Å; D502-R504 VanDerWaalsContact C-N 3.28Å; D502-R504 PolarHBondContact O-N 3.24Å; D502-R505 WeakPolarHBondContact O-CB 3.41Å; D502-R505 PolarHBondContact O-N 2.9Å; D502-R505 VanDerWaalsContact O-N 3.12Å; D502-R505 IonicContact OD1-CZ 3.75Å; D502-R505 IonicContact OD1-NE 3.26Å; D502-R505 IonicContact OD1-NH1 2.66Å; D502-R505 PolarHBondContact OD1-NH1 3.49Å; D502-R505 IonicContact OD1-NH2 3.01Å; D502-V506 WeakPolarHBondContact O-CG2 3.48Å; D502-V506 PolarHBondContact O-N 3.26Å
503V91.8Very high85.2Confident12 Ų1278.6 Ų78.67%0.07341%0.411CS..Hα-helixtrans-57.8-44.3170.8-177.80000110.3P361 Y362 L418 V423 E500 R505 V506 W507P361-V503 HydrophobicContact CB-CG1 4.29Å; P361-V503 HydrophobicContact CG-CG1 3.72Å; Y362-V503 HydrophobicContact CE1-CG1 4.46Å; Y362-V503 HydrophobicContact CE2-CG1 4.18Å; Y362-V503 WeakPolarHBondContact OH-CG1 3.46Å; L418-V503 HydrophobicContact CD1-CB 4.45Å; L418-V503 HydrophobicContact CD1-CG2 3.89Å; V423-V503 HydrophobicContact CB-CG1 4.39Å; V423-V503 HydrophobicContact CG1-CG2 4.13Å; E500-V503 HydrophobicContact CB-CG2 4.31Å; E500-V503 PolarHBondContact O-N 2.87Å; V503-R505 VanDerWaalsContact C-N 3.32Å; V503-R505 PolarHBondContact O-N 2.91Å; V503-V506 PolarHBondContact O-N 2.88Å; V503-W507 PolarHBondContact O-N 2.8Å; V503-W507 VanDerWaalsContact O-N 3.1Å
504R90.6Very high82.4Confident80 Ų8082.7 Ų82.730%0.30244%0.441SS..Hα-helixtrans-64.8-35.2177.8-63.2-177.9-173.9166.73.3112.4P361 T499 E500 R501 D502 R508P361-R504 HydrophobicContact CB-CG 4.22Å; P361-R504 HydrophobicContact CG-CG 4.05Å; T499-R504 PolarHBondContact OG1-NE 2.74Å; E500-R504 PolarHBondContact O-N 3.27Å; R501-R504 WeakPolarHBondContact O-CB 3.35Å; R501-R504 PolarHBondContact O-N 3.42Å; D502-R504 VanDerWaalsContact C-N 3.28Å; D502-R504 PolarHBondContact O-N 3.24Å; R504-R508 WeakPolarHBondContact O-CB 3.32Å; R504-R508 WeakPolarHBondContact O-CD 3.25Å; R504-R508 WeakPolarHBondContact O-CG 3.03Å; R504-R508 PolarHBondContact O-N 3.32Å
505R90.7Very high79.6Confident106 Ų10689.3 Ų89.340%0.446%0.461SS..Hα-helixtrans-65-43.2174.8-69.1-173.9-160.5137.49.3111.5R501 D502 V503 W507 R508 L509 Q510R501-R505 PolarHBondContact O-N 3.3Å; D502-R505 WeakPolarHBondContact O-CB 3.41Å; D502-R505 PolarHBondContact O-N 2.9Å; D502-R505 VanDerWaalsContact O-N 3.12Å; D502-R505 IonicContact OD1-CZ 3.75Å; D502-R505 IonicContact OD1-NE 3.26Å; D502-R505 IonicContact OD1-NH1 2.66Å; D502-R505 PolarHBondContact OD1-NH1 3.49Å; D502-R505 IonicContact OD1-NH2 3.01Å; V503-R505 VanDerWaalsContact C-N 3.32Å; V503-R505 PolarHBondContact O-N 2.91Å; R505-W507 PolarHBondContact O-N 3.28Å; R505-R508 CarbonylContact O-C 3.48Å; R505-R508 PolarHBondContact O-N 2.9Å; R505-R508 VanDerWaalsContact O-N 3.17Å; R505-L509 PolarHBondContact O-N 3.35Å; R505-L509 VanDerWaalsContact O-N 3.12Å; R505-Q510 HydrophobicContact CB-CB 4.39Å; R505-Q510 PolarHBondContact O-N 2.88Å
506V92.3Very high76.5Confident30 Ų3095.8 Ų95.818%0.18249%0.492CS..Hα-helixtrans-57.7-50.2176.2172.80000110.7I416 L418 V423 M424 D502 V503 R508 L509I416-V506 HydrophobicContact CB-CG1 4.4Å; I416-V506 HydrophobicContact CG2-CG1 3.91Å; I416-V506 HydrophobicContact CG2-CG2 4.23Å; L418-V506 HydrophobicContact CD1-CG2 4.13Å; V423-V506 HydrophobicContact CG2-CG1 4.25Å; M424-V506 HydrophobicContact CB-CG1 4.16Å; M424-V506 HydrophobicContact CE-CG1 4Å; M424-V506 HydrophobicContact SD-CG1 4.06Å; D502-V506 WeakPolarHBondContact O-CG2 3.48Å; D502-V506 PolarHBondContact O-N 3.26Å; V503-V506 PolarHBondContact O-N 2.88Å; V506-R508 PolarHBondContact O-N 3.21Å; V506-L509 PolarHBondContact O-N 3.28Å
507W92.5Very high75.6Confident39 Ų39100.3 Ų100.315%0.14852%0.515CS..Hα-helixtrans-70.2-18179.2-79.290.2000114.6P361 Y362 V423 M424 F470 I472 V503 R505 L509P361-W507 HydrophobicContact CB-CB 3.8Å; P361-W507 HydrophobicContact CB-CG 3.83Å; Y362-W507 HydrophobicContact CD1-CZ2 4.14Å; Y362-W507 AromaticContact CD1-NE1 3.9Å; Y362-W507 AromaticContact CE1-CE2 3.99Å; Y362-W507 HydrophobicContact CE1-CZ2 4.18Å; Y362-W507 AromaticContact CE1-NE1 3.45Å; V423-W507 WeakPolarHBondContact O-CZ2 3Å; V423-W507 PolarHBondContact O-NE1 3.47Å; M424-W507 HydrophobicContact CB-CZ2 4.04Å; M424-W507 HydrophobicContact CE-CB 4.27Å; M424-W507 HydrophobicContact CE-CD2 3.44Å; M424-W507 VanDerWaalsContact CE-CD2 3.44Å; M424-W507 HydrophobicContact CE-CE3 3.6Å; M424-W507 HydrophobicContact CE-CG 3.76Å; M424-W507 HydrophobicContact CE-CH2 4.39Å; M424-W507 HydrophobicContact CE-CZ2 4.26Å; M424-W507 HydrophobicContact CE-CZ3 4.08Å; M424-W507 HydrophobicContact CG-CH2 4.45Å; M424-W507 HydrophobicContact CG-CZ2 4.18Å; F470-W507 HydrophobicContact CB-CH2 4.3Å; F470-W507 HydrophobicContact CB-CZ3 3.92Å; I472-W507 HydrophobicContact CG1-CH2 3.53Å; I472-W507 HydrophobicContact CG1-CZ2 3.83Å; I472-W507 HydrophobicContact CG1-CZ3 4.44Å; V503-W507 PolarHBondContact O-N 2.8Å; V503-W507 VanDerWaalsContact O-N 3.1Å; R505-W507 PolarHBondContact O-N 3.28Å; W507-L509 VanDerWaalsContact C-N 3.32Å
508R89.3Confident74.6Confident165 Ų165104.4 Ų104.462%0.62354%0.535SS*.THydrogen-bonded Turntrans-88.61.3169.6-70.8173179.9-167.5-3.1113.2R504 R505 V506 Q510R504-R508 WeakPolarHBondContact O-CB 3.32Å; R504-R508 WeakPolarHBondContact O-CD 3.25Å; R504-R508 WeakPolarHBondContact O-CG 3.03Å; R504-R508 PolarHBondContact O-N 3.32Å; R505-R508 CarbonylContact O-C 3.48Å; R505-R508 PolarHBondContact O-N 2.9Å; R505-R508 VanDerWaalsContact O-N 3.17Å; V506-R508 PolarHBondContact O-N 3.21Å; R508-Q510 HydrophobicContact CB-CG 3.87Å; R508-Q510 PolarHBondContact O-N 3.08Å
509L84.8Confident73.8Confident109 Ų109105.7 Ų105.757%0.57153%0.528SS*.THydrogen-bonded Turntrans55.333.7-175.8-50.2176.8000112.7M424 F470 R505 V506 W507M424-L509 HydrophobicContact CE-CD2 4.49Å; F470-L509 HydrophobicContact CD1-CD2 4.4Å; F470-L509 HydrophobicContact CE1-CD1 4.41Å; F470-L509 HydrophobicContact CE1-CD2 3.6Å; F470-L509 HydrophobicContact CE2-CD1 4.07Å; F470-L509 HydrophobicContact CE2-CD2 4.49Å; F470-L509 HydrophobicContact CZ-CD1 3.61Å; F470-L509 HydrophobicContact CZ-CD2 3.67Å; F470-L509 HydrophobicContact CZ-CG 4.25Å; R505-L509 PolarHBondContact O-N 3.35Å; R505-L509 VanDerWaalsContact O-N 3.12Å; V506-L509 PolarHBondContact O-N 3.28Å; W507-L509 VanDerWaalsContact C-N 3.32Å
510Q79.8Confident73.3Confident108 Ų108110.7 Ų110.751%0.50555%0.552SS.*PPolyproline II helixtrans-94.9126.8179.8-69.2176.5-15.400110.1R505 R508R505-Q510 HydrophobicContact CB-CB 4.39Å; R505-Q510 PolarHBondContact O-N 2.88Å; R508-Q510 HydrophobicContact CB-CG 3.87Å; R508-Q510 PolarHBondContact O-N 3.08Å
511G64.2Low72.6Confident62 Ų62110.9 Ų110.964%0.63956%0.555SS**PPolyproline II helixtrans-67158.8169.100000111.9Q513G511-Q513 PolarHBondContact O-N 3.13Å
512A57.9Low71.6Confident92 Ų92105 Ų10576%0.7654%0.542SS*.PPolyproline II helixtrans-59.9125.715800000106.5S514A512-S514 PolarHBondContact O-N 2.64Å
513Q48.1Very low70.3Confident182 Ų182107.5 Ų107.585%0.8555%0.554SS**  trans-44.7121.6179.2-78.6175.6-31.700109.6G511 K515G511-Q513 PolarHBondContact O-N 3.13Å; Q513-K515 PolarHBondContact O-N 2.95Å
514S38.7Very low68.7Low92 Ų92114.8 Ų114.864%0.64359%0.591SS**  trans-59.8107163.9178.60000106A512 L516A512-S514 PolarHBondContact O-N 2.64Å; S514-L516 PolarHBondContact O-N 2.78Å
515K34.4Very low66.9Low206 Ų206117.8 Ų117.890%0.89662%0.615SS**  trans-72.877.6163-70.8-174.8178.7-176.80106.8Q513Q513-K515 PolarHBondContact O-N 2.95Å
516L29.7Very low64.7Low222 Ų222118.8 Ų118.8100%1.16263%0.634SS**  trans-129.20162.7-86.6163.9000107.9S514S514-L516 PolarHBondContact O-N 2.78Å

Retrieved 516 of 516 residues in 1245.3 ms (Link to these results)

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