A0A087YPW9_POEFO Loading...

UDP-glucuronosyltransferase

AlphaFold DB , UniProt , Accession A0A087YPW9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 528 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
1M53.5Low73.6Confident213 Ų21399.3 Ų99.3100%1.04957%0.566SS**  0123.60-70.5170.280.200106.9
2S69.2Low73.6Confident69 Ų6997.6 Ų97.648%0.48355%0.552SS.*  trans-70.1150.1-170.863.10000111.4T4 A5S2-T4 WeakPolarHBondContact CB-OG1 3.38Å; S2-T4 PolarHBondContact O-N 2.7Å; S2-T4 PolarHBondContact OG-OG1 3.02Å; S2-A5 WeakPolarHBondContact O-CB 3.44Å; S2-A5 PolarHBondContact O-N 2.83Å
3T74.6Confident72.9Confident114 Ų11496.8 Ų96.870%0.69956%0.556SS**Hα-helixtrans-50.5-30.2176.8-19.90000112.4S6 I7T3-S6 PolarHBondContact O-N 2.98Å; T3-I7 WeakPolarHBondContact O-CD1 3.48Å; T3-I7 VanDerWaalsContact O-CG1 3.29Å; T3-I7 WeakPolarHBondContact O-CG1 3.38Å; T3-I7 PolarHBondContact O-N 3.44Å; T3-I7 VanDerWaalsContact O-N 3.13Å
4T76.1Confident72.3Confident99 Ų99103.1 Ų103.161%0.60757%0.574SS**Hα-helixtrans-64.9-37.3173.437.10000113.9S2 I7 F8S2-T4 WeakPolarHBondContact CB-OG1 3.38Å; S2-T4 PolarHBondContact O-N 2.7Å; S2-T4 PolarHBondContact OG-OG1 3.02Å; T4-I7 PolarHBondContact O-N 3.13Å; T4-F8 WeakPolarHBondContact O-CB 3.29Å; T4-F8 PolarHBondContact O-N 3.44Å
5A74.5Confident71.9Confident37 Ų37105.6 Ų105.631%0.30659%0.585SS.*Hα-helixtrans-67.5-38.1176.500000111.5S2 F8 L9S2-A5 WeakPolarHBondContact O-CB 3.44Å; S2-A5 PolarHBondContact O-N 2.83Å; A5-F8 PolarHBondContact O-N 3.36Å; A5-L9 WeakPolarHBondContact O-CB 3.46Å; A5-L9 PolarHBondContact O-N 3.42Å
6S74.9Confident70.7Confident74 Ų74105.8 Ų105.852%0.51758%0.583SS.*Hα-helixtrans-67.4-38.7176.3-58.80000112.5T3 A10T3-S6 PolarHBondContact O-N 2.98Å; S6-A10 WeakPolarHBondContact O-CB 3.44Å; S6-A10 PolarHBondContact O-N 2.98Å
7I79.9Confident69.6Low97 Ų97105.6 Ų105.650%0.49759%0.589SS.*Hα-helixtrans-68.1-40175.7-67164.9000110.7T3 T4 A10 L11T3-I7 WeakPolarHBondContact O-CD1 3.48Å; T3-I7 VanDerWaalsContact O-CG1 3.29Å; T3-I7 WeakPolarHBondContact O-CG1 3.38Å; T3-I7 PolarHBondContact O-N 3.44Å; T3-I7 VanDerWaalsContact O-N 3.13Å; T4-I7 PolarHBondContact O-N 3.13Å; I7-A10 PolarHBondContact O-N 3.49Å; I7-L11 HydrophobicContact CG2-CD1 3.9Å; I7-L11 WeakPolarHBondContact O-CB 3.27Å; I7-L11 PolarHBondContact O-N 3Å
8F79.6Confident68.3Low142 Ų142106.3 Ų106.362%0.62360%0.598SS**Hα-helixtrans-66.8-41.1178-150.3-96000112T4 A5 L11 I12T4-F8 WeakPolarHBondContact O-CB 3.29Å; T4-F8 PolarHBondContact O-N 3.44Å; A5-F8 PolarHBondContact O-N 3.36Å; F8-L11 PolarHBondContact O-N 2.97Å; F8-I12 HydrophobicContact CD1-CD1 3.69Å; F8-I12 HydrophobicContact CD1-CG1 4.38Å; F8-I12 HydrophobicContact CE1-CD1 3.92Å; F8-I12 VanDerWaalsContact O-CG1 3.29Å; F8-I12 WeakPolarHBondContact O-CG1 3.4Å; F8-I12 PolarHBondContact O-N 3.05Å
9L74.3Confident66.9Low103 Ų103106.4 Ų106.454%0.53961%0.607SS.*Hα-helixtrans-63.5-41.4172.7-95.7143.6000112.4A5 I12 C13A5-L9 WeakPolarHBondContact O-CB 3.46Å; A5-L9 PolarHBondContact O-N 3.42Å; L9-I12 PolarHBondContact O-N 3.44Å; L9-C13 PolarHBondContact O-N 2.93Å; L9-C13 PolarHBondContact O-SG 3.34Å
10A75.3Confident65.8Low49 Ų49107.7 Ų107.741%0.40562%0.617SS.*Hα-helixtrans-63.9-42.7175.800000111.9S6 I7 I12 C13 F14S6-A10 WeakPolarHBondContact O-CB 3.44Å; S6-A10 PolarHBondContact O-N 2.98Å; I7-A10 PolarHBondContact O-N 3.49Å; A10-I12 PolarHBondContact O-N 3.41Å; A10-C13 PolarHBondContact O-N 3.36Å; A10-F14 VanDerWaalsContact O-CD2 3.3Å; A10-F14 WeakPolarHBondContact O-CD2 3.29Å; A10-F14 PolarHBondContact O-N 2.74Å; A10-F14 VanDerWaalsContact O-N 3.12Å
11L77.4Confident64.8Low95 Ų95107.5 Ų107.550%0.49762%0.622SS.*Hα-helixtrans-63.6-37.6175.2-86156000112.5I7 F8 C13 F14 L15I7-L11 HydrophobicContact CG2-CD1 3.9Å; I7-L11 WeakPolarHBondContact O-CB 3.27Å; I7-L11 PolarHBondContact O-N 3Å; F8-L11 PolarHBondContact O-N 2.97Å; L11-C13 VanDerWaalsContact C-N 3.35Å; L11-F14 PolarHBondContact O-N 2.92Å; L11-L15 WeakPolarHBondContact O-CB 3.45Å; L11-L15 VanDerWaalsContact O-CG 3.29Å; L11-L15 WeakPolarHBondContact O-CG 3.46Å; L11-L15 PolarHBondContact O-N 3.38Å
12I73.6Confident64.5Low79 Ų79104 Ų10441%0.40562%0.617SS.*Hα-helixtrans-63.7-40.4173.4-70.3165.8000110.8F8 L9 A10 F14 L15 L16F8-I12 HydrophobicContact CD1-CD1 3.69Å; F8-I12 HydrophobicContact CD1-CG1 4.38Å; F8-I12 HydrophobicContact CE1-CD1 3.92Å; F8-I12 VanDerWaalsContact O-CG1 3.29Å; F8-I12 WeakPolarHBondContact O-CG1 3.4Å; F8-I12 PolarHBondContact O-N 3.05Å; L9-I12 PolarHBondContact O-N 3.44Å; A10-I12 PolarHBondContact O-N 3.41Å; I12-F14 VanDerWaalsContact C-N 3.29Å; I12-F14 PolarHBondContact O-N 3.43Å; I12-L15 PolarHBondContact O-N 3.27Å; I12-L16 WeakPolarHBondContact O-CG 2.88Å; I12-L16 PolarHBondContact O-N 3.45Å
13C65.1Low64.1Low88 Ų88103 Ų10360%0.59562%0.618SS**Hα-helixtrans-65.3-28.6175.3-70.60000113.8L9 A10 L11L9-C13 PolarHBondContact O-N 2.93Å; L9-C13 PolarHBondContact O-SG 3.34Å; A10-C13 PolarHBondContact O-N 3.36Å; L11-C13 VanDerWaalsContact C-N 3.35Å
14F65Low64.4Low185 Ų18598.6 Ų98.681%0.81160%0.595SS**Hα-helixtrans-83.8-22.5174.5-85.5-76.3000113.8A10 L11 I12A10-F14 VanDerWaalsContact O-CD2 3.3Å; A10-F14 WeakPolarHBondContact O-CD2 3.29Å; A10-F14 PolarHBondContact O-N 2.74Å; A10-F14 VanDerWaalsContact O-N 3.12Å; L11-F14 PolarHBondContact O-N 2.92Å; I12-F14 VanDerWaalsContact C-N 3.29Å; I12-F14 PolarHBondContact O-N 3.43Å
15L65.8Low65.4Low140 Ų14095.1 Ų95.173%0.73357%0.574SS**Hα-helixtrans-88.9-16.5176.5-72.7167.9000113.1L11 I12L11-L15 WeakPolarHBondContact O-CB 3.45Å; L11-L15 VanDerWaalsContact O-CG 3.29Å; L11-L15 WeakPolarHBondContact O-CG 3.46Å; L11-L15 PolarHBondContact O-N 3.38Å; I12-L15 PolarHBondContact O-N 3.27Å
16L53.1Low66.5Low108 Ų10896.7 Ų96.757%0.56557%0.574SS**SBendtrans-65.8124.6163.6-72.4168.5000107.3I12I12-L16 WeakPolarHBondContact O-CG 2.88Å; I12-L16 PolarHBondContact O-N 3.45Å
17P52.2Low67.6Low104 Ų10493.1 Ų93.168%0.67555%0.55SS*.PPolyproline II helixtrans-51.5140.4170.921.8-30.4000107.4S19P17-S19 PolarHBondContact O-N 2.96Å
18P45.6Very low68.5Low117 Ų11788.5 Ų88.576%0.7653%0.526SS*.PPolyproline II helixtrans-48.7118.6175.519.9-30.2000105.8T20P18-T20 VanDerWaalsContact C-N 3.3Å; P18-T20 PolarHBondContact O-N 3.19Å
19S41.6Very low69.4Low109 Ų10981.8 Ų81.876%0.76250%0.496SS*.  trans-47.3107.2172.845.90000104.8P17 S21P17-S19 PolarHBondContact O-N 2.96Å; S19-S21 VanDerWaalsContact C-N 3.34Å; S19-S21 PolarHBondContact O-N 3.11Å
20T45.6Very low70.5Confident132 Ų13277.4 Ų77.481%0.8147%0.474SS*.  trans-51.1112.3173.942.20000103.6P18 C22P18-T20 VanDerWaalsContact C-N 3.3Å; P18-T20 PolarHBondContact O-N 3.19Å; T20-C22 PolarHBondContact O-N 3Å
21S44.3Very low71.4Confident103 Ų10376 Ų7672%0.7246%0.461SS*.  trans-30.8112.2-176.2158.90000109.1S19 G23S19-S21 VanDerWaalsContact C-N 3.34Å; S19-S21 PolarHBondContact O-N 3.11Å; S21-G23 PolarHBondContact O-N 2.6Å
22C46.6Very low72.1Confident141 Ų14172.6 Ų72.695%0.95344%0.444SS*.  trans-71.250.1176.9-170.80000109.6T20T20-C22 PolarHBondContact O-N 3Å
23G61.4Low72.7Confident48 Ų4870.7 Ų70.750%0.49543%0.434SS..  trans-111.8117173.300000107S21S21-G23 PolarHBondContact O-N 2.6Å
24G81.7Confident73.7Confident21 Ų2166.9 Ų66.922%0.21641%0.41CS..  trans-65.6148.8176.100000111.5G51G24-G51 VanDerWaalsContact CA-O 3.25Å; G24-G51 WeakPolarHBondContact CA-O 3.45Å; G24-G51 PolarHBondContact N-O 3Å
25S95.7Very high74.6Confident25 Ų2560.1 Ų60.118%0.17539%0.386CS..  trans-62.8155.9179.1-57.50000113.3H52 Q53 D149 I469S25-H52 PolarHBondContact N-ND1 3.35Å; S25-H52 VanDerWaalsContact N-ND1 3.14Å; S25-Q53 PolarHBondContact O-N 2.92Å; S25-D149 VanDerWaalsContact CA-OD2 3.28Å; S25-D149 WeakPolarHBondContact CA-OD2 3.47Å; S25-D149 WeakPolarHBondContact CB-OD2 3.44Å; S25-I469 WeakPolarHBondContact OG-CG2 3.37Å
26K97.9Very high75.8Confident70 Ų7055 Ų5530%0.30436%0.358SS..EExtended strand (participates in β ladder)trans-91.7115.8176.1-62.4-179.3-170.2177.70109.6Q53 T146 F148 D149K26-Q53 CarbonylContact C-O 3.51Å; K26-Q53 WeakPolarHBondContact CA-O 3.38Å; K26-Q53 HydrophobicContact CG-CB 4.23Å; K26-T146 HydrophobicContact CD-CG2 4.03Å; K26-T146 VanDerWaalsContact CD-O 3.24Å; K26-T146 WeakPolarHBondContact CD-O 3.3Å; K26-T146 PolarHBondContact NZ-O 2.61Å; K26-F148 HydrophobicContact CB-CD1 3.86Å; K26-F148 HydrophobicContact CB-CE1 4.42Å; K26-D149 PolarHBondContact N-OD2 3.08Å; K26-D149 PolarHBondContact O-N 3.37Å
27I98.6Very high77.7Confident0 Ų050 Ų500%033%0.332CS..EExtended strand (participates in β ladder)trans-111122.2-177-55.8174.9000108.7V29 L47 H52 Q53 T55 L152 I465 I469I27-V29 HydrophobicContact CG2-CG2 4.07Å; I27-L47 HydrophobicContact CD1-CD1 3.88Å; I27-L47 HydrophobicContact CD1-CD2 4.14Å; I27-L47 HydrophobicContact CD1-CG 4.43Å; I27-H52 HydrophobicContact CD1-CB 3.95Å; I27-Q53 PolarHBondContact N-O 3.22Å; I27-T55 PolarHBondContact O-N 3.47Å; I27-L152 HydrophobicContact CG2-CB 3.89Å; I27-I465 HydrophobicContact CD1-CG2 4.4Å; I27-I469 HydrophobicContact CD1-CD1 4.02Å; I27-I469 HydrophobicContact CG1-CD1 4.23Å
28L98.7Very high79.5Confident0 Ų048 Ų480%031%0.314CS..EExtended strand (participates in β ladder)trans-86.2126.2169.5-179.461.2000108.6T55 L57 L143 F148 L150 V151 L152 L163 L167L28-T55 HydrophobicContact CD1-CG2 4.35Å; L28-L57 HydrophobicContact CD1-CD1 4.27Å; L28-L57 HydrophobicContact CD1-CD2 4.03Å; L28-L57 HydrophobicContact CD1-CG 3.87Å; L28-L143 HydrophobicContact CD1-CD2 4.16Å; L28-L143 HydrophobicContact CD2-CD2 4.42Å; L28-F148 HydrophobicContact CB-CB 4.26Å; L28-F148 HydrophobicContact CB-CD1 3.78Å; L28-F148 HydrophobicContact CB-CD2 4.01Å; L28-F148 HydrophobicContact CB-CE1 4.07Å; L28-F148 HydrophobicContact CB-CE2 4.28Å; L28-F148 HydrophobicContact CB-CG 3.75Å; L28-F148 HydrophobicContact CB-CZ 4.3Å; L28-F148 HydrophobicContact CD1-CE1 4.45Å; L28-F148 HydrophobicContact CD1-CE2 4.09Å; L28-F148 HydrophobicContact CD1-CZ 4.01Å; L28-F148 HydrophobicContact CD2-CD2 4.33Å; L28-F148 HydrophobicContact CD2-CE2 4.46Å; L28-L150 PolarHBondContact N-O 2.67Å; L28-V151 HydrophobicContact CB-CG2 4.25Å; L28-V151 HydrophobicContact CD2-CG2 4.14Å; L28-V151 CarbonylContact O-C 3.54Å; L28-V151 VanDerWaalsContact O-CA 3.31Å; L28-V151 WeakPolarHBondContact O-CA 3.29Å; L28-L152 PolarHBondContact O-N 3.41Å; L28-L163 HydrophobicContact CD2-CD2 4.2Å; L28-L167 HydrophobicContact CD2-CD1 3.79Å
29V98.4Very high81.7Confident0 Ų042.5 Ų42.50%028%0.279CS..EExtended strand (participates in β ladder)trans-114124.8-178.2175.30000109.8I27 P31 M40 L44 I54 T55 V56 L57 L152I27-V29 HydrophobicContact CG2-CG2 4.07Å; V29-P31 HydrophobicContact CG1-CB 4.46Å; V29-M40 HydrophobicContact CG1-CE 3.58Å; V29-M40 HydrophobicContact CG1-SD 3.97Å; V29-L44 HydrophobicContact CG1-CD1 4.14Å; V29-L44 HydrophobicContact CG1-CD2 4.34Å; V29-L44 HydrophobicContact CG2-CD1 4.41Å; V29-L44 HydrophobicContact CG2-CD2 3.61Å; V29-I54 HydrophobicContact CG2-CG2 3.69Å; V29-T55 PolarHBondContact N-O 3.3Å; V29-V56 HydrophobicContact CB-CG2 3.99Å; V29-V56 HydrophobicContact CG1-CG2 4.15Å; V29-V56 WeakPolarHBondContact O-CA 3.41Å; V29-L57 PolarHBondContact O-N 3.07Å; V29-L152 VanDerWaalsContact CA-O 3.29Å; V29-L152 WeakPolarHBondContact CA-O 3.44Å; V29-L152 HydrophobicContact CG2-CB 4.38Å
30V96.7Very high84.2Confident12 Ų1237.3 Ų37.37%0.07324%0.243CC..EExtended strand (participates in β ladder)trans-119.395.6172.3-169.50000108.2L57 V151 L152 T153 D154 V159 G160 L163V30-L57 HydrophobicContact CG2-CD1 4Å; V30-L57 HydrophobicContact CG2-CG 4.32Å; V30-V151 HydrophobicContact CG2-CG1 4.48Å; V30-L152 PolarHBondContact N-O 3.02Å; V30-L152 VanDerWaalsContact N-O 3.12Å; V30-T153 VanDerWaalsContact O-CA 3.28Å; V30-T153 WeakPolarHBondContact O-CA 3.44Å; V30-T153 PolarHBondContact O-OG1 3.18Å; V30-D154 PolarHBondContact O-N 3.34Å; V30-V159 HydrophobicContact CG1-CG1 4.49Å; V30-G160 VanDerWaalsContact CG1-CA 3.48Å; V30-L163 HydrophobicContact CG2-CD2 4.24Å
31P94.4Very high86.6Confident20 Ų2034.4 Ų34.413%0.1322%0.219CC..  trans-89.7169.5-174.137.1-33.9000112.1V29 W37 M40 V56 L57 I65V29-P31 HydrophobicContact CG1-CB 4.46Å; P31-W37 HydrophobicContact CB-CE3 3.75Å; P31-W37 HydrophobicContact CB-CZ3 4.21Å; P31-W37 HydrophobicContact CG-CE3 4.1Å; P31-W37 HydrophobicContact CG-CZ3 4.28Å; P31-M40 HydrophobicContact CB-SD 3.65Å; P31-V56 HydrophobicContact CG-CG1 3.9Å; P31-L57 WeakPolarHBondContact CD-O 3.37Å; P31-I65 HydrophobicContact CB-CD1 4.24Å; P31-I65 HydrophobicContact CG-CD1 3.5Å
32V91.5Very high89Confident22 Ų2231 Ų3113%0.13319%0.192CC..  trans-105.6139.8158.3175.90000108H36 W37 D154 A156 L157V32-H36 HydrophobicContact CB-CB 3.77Å; V32-H36 HydrophobicContact CG1-CB 4.03Å; V32-H36 WeakPolarHBondContact O-CB 3.49Å; V32-W37 WeakPolarHBondContact O-CA 3.44Å; V32-W37 WeakPolarHBondContact O-CB 3.17Å; V32-W37 PolarHBondContact O-N 3.25Å; V32-D154 HydrophobicContact CB-CB 4.35Å; V32-D154 HydrophobicContact CG2-CB 3.99Å; V32-A156 HydrophobicContact CG2-CB 4.34Å; V32-L157 HydrophobicContact CG1-CD1 4.1Å; V32-L157 HydrophobicContact CG1-CG 4.32Å; V32-L157 HydrophobicContact CG2-CB 3.96Å; V32-L157 HydrophobicContact CG2-CD1 3.91Å; V32-L157 HydrophobicContact CG2-CG 3.71Å
33D87.7Confident91.5Very high39 Ų3924.3 Ų24.321%0.20915%0.147CC..THydrogen-bonded Turntrans-71.4-177.2-178.2-150.8-25.3000112.3S62 W63 Y64D33-S62 VanDerWaalsContact OD2-C 3.22Å; D33-S62 WeakPolarHBondContact OD2-CA 3.04Å; D33-S62 WeakPolarHBondContact OD2-CB 3.47Å; D33-S62 PolarHBondContact OD2-OG 2.76Å; D33-W63 PolarHBondContact OD2-N 3.29Å; D33-Y64 WeakPolarHBondContact OD1-CB 3.28Å; D33-Y64 PolarHBondContact OD1-N 3.25Å
34G84.9Confident93.2Very high8 Ų822 Ų228%0.08212%0.123CC..THydrogen-bonded Turntrans71.8-137.5178.800000112.3H36 W37 I38G34-H36 PolarHBondContact O-N 3.12Å; G34-W37 PolarHBondContact O-N 3.21Å; G34-I38 WeakPolarHBondContact O-CG1 3.35Å; G34-I38 PolarHBondContact O-N 3Å
35S83.8Confident94Very high43 Ų4324.4 Ų24.430%0.30113%0.129SC..Hα-helixtrans-68.5-22.3-177.164.10000113.4N39S35-N39 PolarHBondContact O-N 3.26Å; S35-N39 PolarHBondContact O-ND2 3.4Å
36H91.4Very high94Very high32 Ų3225.9 Ų25.915%0.14813%0.133CC..Hα-helixtrans-67.1-48.1175.6-72.5-118.5000110.4V32 G34 I38 N39 M40 D154 R260V32-H36 HydrophobicContact CB-CB 3.77Å; V32-H36 HydrophobicContact CG1-CB 4.03Å; V32-H36 WeakPolarHBondContact O-CB 3.49Å; G34-H36 PolarHBondContact O-N 3.12Å; H36-I38 PolarHBondContact O-N 3.39Å; H36-N39 WeakPolarHBondContact O-CB 3.27Å; H36-N39 PolarHBondContact O-N 2.97Å; H36-M40 WeakPolarHBondContact O-CB 3.41Å; H36-M40 PolarHBondContact O-N 2.87Å; H36-D154 IonicContact CE1-OD2 3.81Å; H36-D154 IonicContact CG-OD2 3.4Å; H36-D154 IonicContact ND1-OD1 2.95Å; H36-D154 PolarHBondContact ND1-OD1 2.89Å; H36-D154 IonicContact ND1-OD2 2.65Å; H36-D154 PolarHBondContact ND1-OD2 3.2Å; H36-R260 PolarHBondContact CE1-NH2 2.91Å; H36-R260 PolarHBondContact ND1-NH2 2.89Å
37W93.1Very high94Very high4 Ų422.5 Ų22.52%0.01512%0.118CC..Hα-helixtrans-60.3-45.2174.5170.3-109.8000112.8P31 V32 G34 N39 M40 K41 L44 V56 Y64 I65 Y72P31-W37 HydrophobicContact CB-CE3 3.75Å; P31-W37 HydrophobicContact CB-CZ3 4.21Å; P31-W37 HydrophobicContact CG-CE3 4.1Å; P31-W37 HydrophobicContact CG-CZ3 4.28Å; V32-W37 WeakPolarHBondContact O-CA 3.44Å; V32-W37 WeakPolarHBondContact O-CB 3.17Å; V32-W37 PolarHBondContact O-N 3.25Å; G34-W37 PolarHBondContact O-N 3.21Å; W37-N39 PolarHBondContact O-N 3.42Å; W37-N39 VanDerWaalsContact O-N 3.16Å; W37-M40 PolarHBondContact O-N 3.03Å; W37-M40 VanDerWaalsContact O-N 3.12Å; W37-K41 HydrophobicContact CD2-CB 4.46Å; W37-K41 HydrophobicContact CZ2-CB 4.17Å; W37-K41 HydrophobicContact CZ2-CD 4.25Å; W37-K41 HydrophobicContact CZ2-CG 4.12Å; W37-K41 VanDerWaalsContact O-CB 3.32Å; W37-K41 WeakPolarHBondContact O-CB 3.28Å; W37-K41 PolarHBondContact O-N 2.87Å; W37-L44 HydrophobicContact CH2-CD1 3.75Å; W37-L44 HydrophobicContact CZ3-CD1 3.67Å; W37-V56 HydrophobicContact CH2-CG1 4.4Å; W37-V56 HydrophobicContact CH2-CG2 4.22Å; W37-V56 HydrophobicContact CZ3-CG1 4.11Å; W37-V56 HydrophobicContact CZ3-CG2 4.32Å; W37-Y64 VanDerWaalsContact CD1-C 3.49Å; W37-Y64 VanDerWaalsContact CD1-O 3.26Å; W37-Y64 PolarHBondContact NE1-O 2.92Å; W37-I65 HydrophobicContact CB-CG1 4.13Å; W37-I65 HydrophobicContact CD2-CB 4.34Å; W37-I65 HydrophobicContact CD2-CD1 4.2Å; W37-I65 HydrophobicContact CD2-CG1 3.64Å; W37-I65 HydrophobicContact CD2-CG2 4.34Å; W37-I65 HydrophobicContact CE3-CD1 4.12Å; W37-I65 HydrophobicContact CE3-CG1 4.05Å; W37-I65 HydrophobicContact CE3-CG2 4.44Å; W37-I65 HydrophobicContact CG-CD1 4.38Å; W37-I65 HydrophobicContact CG-CG1 3.65Å; W37-I65 HydrophobicContact CH2-CG2 4.05Å; W37-I65 HydrophobicContact CZ2-CG2 3.93Å; W37-I65 HydrophobicContact CZ3-CG2 4.29Å; W37-Y72 HydrophobicContact CH2-CD1 4.12Å; W37-Y72 AromaticContact CH2-CE1 3.4Å; W37-Y72 HydrophobicContact CH2-CE1 3.4Å; W37-Y72 AromaticContact CH2-CZ 3.74Å; W37-Y72 AromaticContact CZ2-CE1 3.59Å; W37-Y72 HydrophobicContact CZ2-CE1 3.59Å; W37-Y72 AromaticContact CZ2-CZ 3.84Å; W37-Y72 WeakPolarHBondContact CZ2-OH 3.48Å
38I89.6Confident94Very high61 Ų6126.1 Ų26.131%0.31314%0.135SC..Hα-helixtrans-54.4-39.1-179.9-66.6171.8000110.9G34 H36 I42 Y64 T312G34-I38 WeakPolarHBondContact O-CG1 3.35Å; G34-I38 PolarHBondContact O-N 3Å; H36-I38 PolarHBondContact O-N 3.39Å; I38-I42 WeakPolarHBondContact O-CG1 3.45Å; I38-Y64 HydrophobicContact CD1-CD1 4.2Å; I38-Y64 HydrophobicContact CD1-CE1 4.3Å; I38-Y64 HydrophobicContact CG1-CD1 4.47Å; I38-T312 HydrophobicContact CD1-CG2 4.12Å
39N91.3Very high93.9Very high3 Ų330.1 Ų30.12%0.01616%0.163CC..Hα-helixtrans-72.5-51.1175.2-84-86.5000112.6S35 H36 W37 K41 I42 F281 N379S35-N39 PolarHBondContact O-N 3.26Å; S35-N39 PolarHBondContact O-ND2 3.4Å; H36-N39 WeakPolarHBondContact O-CB 3.27Å; H36-N39 PolarHBondContact O-N 2.97Å; W37-N39 PolarHBondContact O-N 3.42Å; W37-N39 VanDerWaalsContact O-N 3.16Å; N39-K41 PolarHBondContact O-N 3.46Å; N39-I42 WeakPolarHBondContact O-CB 3.34Å; N39-I42 PolarHBondContact O-N 2.78Å; N39-I42 VanDerWaalsContact O-N 3.07Å; N39-F281 HydrophobicContact CB-CE2 4.49Å; N39-F281 HydrophobicContact CB-CZ 3.8Å; N39-F281 WeakPolarHBondContact O-CE2 3.38Å; N39-N379 PolarHBondContact ND2-ND2 3.07Å; N39-N379 PolarHBondContact ND2-OD1 3.17Å; N39-N379 PolarHBondContact OD1-OD1 3.41Å
40M95Very high93.8Very high0 Ų035.1 Ų35.10%018%0.182CC..Hα-helixtrans-58.8-39.5-176.2-165172.8-16300111.3V29 P31 H36 W37 I42 I43 L44 L152V29-M40 HydrophobicContact CG1-CE 3.58Å; V29-M40 HydrophobicContact CG1-SD 3.97Å; P31-M40 HydrophobicContact CB-SD 3.65Å; H36-M40 WeakPolarHBondContact O-CB 3.41Å; H36-M40 PolarHBondContact O-N 2.87Å; W37-M40 PolarHBondContact O-N 3.03Å; W37-M40 VanDerWaalsContact O-N 3.12Å; M40-I42 PolarHBondContact O-N 2.79Å; M40-I42 VanDerWaalsContact O-N 3.17Å; M40-I43 WeakPolarHBondContact O-CB 3.31Å; M40-I43 PolarHBondContact O-N 2.85Å; M40-L44 WeakPolarHBondContact O-CG 3.26Å; M40-L44 PolarHBondContact O-N 3.43Å; M40-L152 HydrophobicContact CE-CB 4.38Å; M40-L152 HydrophobicContact CE-CD2 4.13Å; M40-L152 HydrophobicContact CE-CG 3.64Å; M40-L152 VanDerWaalsContact CE-O 3.23Å; M40-L152 WeakPolarHBondContact CE-O 3.38Å
41K95.8Very high93.8Very high71 Ų7136.6 Ų36.631%0.30920%0.199SC..Hα-helixtrans-53-36.7176.6-173.1-177.8-178.3-102.40112.8W37 N39 I43 L44 E45 I71W37-K41 HydrophobicContact CD2-CB 4.46Å; W37-K41 HydrophobicContact CZ2-CB 4.17Å; W37-K41 HydrophobicContact CZ2-CD 4.25Å; W37-K41 HydrophobicContact CZ2-CG 4.12Å; W37-K41 VanDerWaalsContact O-CB 3.32Å; W37-K41 WeakPolarHBondContact O-CB 3.28Å; W37-K41 PolarHBondContact O-N 2.87Å; N39-K41 PolarHBondContact O-N 3.46Å; K41-I43 VanDerWaalsContact C-N 3.34Å; K41-I43 PolarHBondContact O-N 2.94Å; K41-L44 CarbonylContact O-C 3.56Å; K41-L44 WeakPolarHBondContact O-CB 3.43Å; K41-L44 PolarHBondContact O-N 3.15Å; K41-L44 VanDerWaalsContact O-N 3.14Å; K41-E45 WeakPolarHBondContact CE-OE1 3.49Å; K41-E45 HydrophobicContact CG-CG 4.49Å; K41-E45 IonicContact NZ-OE1 2.83Å; K41-E45 PolarHBondContact NZ-OE1 3.14Å; K41-E45 WeakPolarHBondContact O-CG 3.31Å; K41-E45 PolarHBondContact O-N 3.08Å; K41-I71 HydrophobicContact CG-CD1 4.29Å
42I95.4Very high93.9Very high32 Ų3236.4 Ų36.416%0.16420%0.197CC..Hα-helixtrans-68-37.2-178.9-53.3170.5000110.5I38 N39 M40 E46 Q282 M458I38-I42 WeakPolarHBondContact O-CG1 3.45Å; N39-I42 WeakPolarHBondContact O-CB 3.34Å; N39-I42 PolarHBondContact O-N 2.78Å; N39-I42 VanDerWaalsContact O-N 3.07Å; M40-I42 PolarHBondContact O-N 2.79Å; M40-I42 VanDerWaalsContact O-N 3.17Å; I42-E46 PolarHBondContact O-N 2.59Å; I42-Q282 HydrophobicContact CD1-CB 3.47Å; I42-Q282 VanDerWaalsContact CD1-CB 3.47Å; I42-M458 HydrophobicContact CB-CE 4.2Å; I42-M458 HydrophobicContact CG2-CE 3.43Å; I42-M458 VanDerWaalsContact CG2-CE 3.43Å
43I97.8Very high94.2Very high0 Ų040.8 Ų40.80%022%0.215CC..Hα-helixtrans-65.8-41.8171.4-65.9166.1000109.8M40 K41 E45 E46 L47 L152 I278 F281 M458 I462 I465M40-I43 WeakPolarHBondContact O-CB 3.31Å; M40-I43 PolarHBondContact O-N 2.85Å; K41-I43 VanDerWaalsContact C-N 3.34Å; K41-I43 PolarHBondContact O-N 2.94Å; I43-E45 PolarHBondContact O-N 3.44Å; I43-E46 PolarHBondContact O-N 2.95Å; I43-L47 HydrophobicContact CG2-CD1 3.83Å; I43-L47 HydrophobicContact CG2-CG 4.25Å; I43-L47 WeakPolarHBondContact O-CG 3.47Å; I43-L47 PolarHBondContact O-N 3.47Å; I43-L152 HydrophobicContact CG2-CD2 4.17Å; I43-I278 HydrophobicContact CD1-CD1 4.49Å; I43-F281 HydrophobicContact CD1-CD2 4.15Å; I43-F281 HydrophobicContact CD1-CE2 3.6Å; I43-F281 HydrophobicContact CD1-CZ 3.84Å; I43-F281 HydrophobicContact CG1-CD2 3.92Å; I43-F281 HydrophobicContact CG1-CE2 3.57Å; I43-F281 HydrophobicContact CG1-CZ 4.32Å; I43-M458 HydrophobicContact CG1-CE 4.34Å; I43-M458 HydrophobicContact CG1-SD 4.13Å; I43-I462 HydrophobicContact CG2-CD1 4.21Å; I43-I465 HydrophobicContact CG2-CD1 3.64Å
44L98.1Very high94.7Very high0 Ų039.2 Ų39.20%021%0.207CC..Hα-helixtrans-63.9-39.1178.9-56.7-172.9000112.5V29 W37 M40 K41 E46 L47 H48 I54 V56 I71 L152V29-L44 HydrophobicContact CG1-CD1 4.14Å; V29-L44 HydrophobicContact CG1-CD2 4.34Å; V29-L44 HydrophobicContact CG2-CD1 4.41Å; V29-L44 HydrophobicContact CG2-CD2 3.61Å; W37-L44 HydrophobicContact CH2-CD1 3.75Å; W37-L44 HydrophobicContact CZ3-CD1 3.67Å; M40-L44 WeakPolarHBondContact O-CG 3.26Å; M40-L44 PolarHBondContact O-N 3.43Å; K41-L44 CarbonylContact O-C 3.56Å; K41-L44 WeakPolarHBondContact O-CB 3.43Å; K41-L44 PolarHBondContact O-N 3.15Å; K41-L44 VanDerWaalsContact O-N 3.14Å; L44-E46 VanDerWaalsContact C-N 3.31Å; L44-E46 PolarHBondContact O-N 3.14Å; L44-L47 HydrophobicContact CD2-CD1 4.38Å; L44-L47 PolarHBondContact O-N 2.69Å; L44-H48 VanDerWaalsContact O-CB 3.24Å; L44-H48 WeakPolarHBondContact O-CB 3.26Å; L44-H48 PolarHBondContact O-N 2.72Å; L44-I54 HydrophobicContact CB-CD1 3.87Å; L44-I54 HydrophobicContact CD1-CG2 4.3Å; L44-I54 HydrophobicContact CD2-CD1 4.27Å; L44-I54 HydrophobicContact CD2-CG2 4.23Å; L44-I54 WeakPolarHBondContact O-CD1 3.32Å; L44-V56 HydrophobicContact CD1-CG2 4.07Å; L44-I71 HydrophobicContact CB-CD1 4.47Å; L44-L152 HydrophobicContact CD2-CD2 3.86Å
45E97.5Very high95.4Very high71 Ų7139.7 Ų39.733%0.33221%0.209SC..Hα-helixtrans-59.6-43.1175.1-75.7171176.500111.4K41 I43 H48 S49 I71K41-E45 WeakPolarHBondContact CE-OE1 3.49Å; K41-E45 HydrophobicContact CG-CG 4.49Å; K41-E45 IonicContact NZ-OE1 2.83Å; K41-E45 PolarHBondContact NZ-OE1 3.14Å; K41-E45 WeakPolarHBondContact O-CG 3.31Å; K41-E45 PolarHBondContact O-N 3.08Å; I43-E45 PolarHBondContact O-N 3.44Å; E45-H48 PolarHBondContact O-N 3.41Å; E45-S49 PolarHBondContact O-N 2.91Å; E45-I71 HydrophobicContact CG-CD1 3.65Å
46E97.4Very high96.1Very high55 Ų5537.7 Ų37.726%0.25719%0.194SC..Hα-helixtrans-71.9-37.9178-175.961.6-157.500112.5I42 I43 L44 H48 S49 R50 M458 I462I42-E46 PolarHBondContact O-N 2.59Å; I43-E46 PolarHBondContact O-N 2.95Å; L44-E46 VanDerWaalsContact C-N 3.31Å; L44-E46 PolarHBondContact O-N 3.14Å; E46-H48 VanDerWaalsContact C-N 3.34Å; E46-S49 PolarHBondContact O-N 3.07Å; E46-S49 PolarHBondContact O-OG 3.46Å; E46-R50 WeakPolarHBondContact O-CD 3.08Å; E46-R50 VanDerWaalsContact O-CG 3.3Å; E46-R50 WeakPolarHBondContact O-CG 3.04Å; E46-R50 PolarHBondContact O-N 2.86Å; E46-R50 IonicContact OE1-CZ 3.58Å; E46-R50 IonicContact OE1-NE 3.96Å; E46-R50 PolarHBondContact OE1-NE 3.17Å; E46-R50 IonicContact OE1-NH2 3.36Å; E46-R50 PolarHBondContact OE1-NH2 3.44Å; E46-M458 HydrophobicContact CB-CG 4.43Å; E46-M458 HydrophobicContact CB-SD 4.12Å; E46-M458 HydrophobicContact CG-CG 4.06Å; E46-M458 HydrophobicContact CG-SD 4.26Å; E46-I462 HydrophobicContact CB-CD1 3.95Å; E46-I462 HydrophobicContact CB-CG1 4.35Å; E46-I462 HydrophobicContact CG-CD1 3.68Å; E46-I462 HydrophobicContact CG-CG1 3.58Å
47L98Very high96.3Very high0 Ų036.4 Ų36.40%019%0.188CC..Hα-helixtrans-64.6-41172.4-71.3168.9000111.4I27 I43 L44 R50 G51 H52 I54 L152 I462 I465I27-L47 HydrophobicContact CD1-CD1 3.88Å; I27-L47 HydrophobicContact CD1-CD2 4.14Å; I27-L47 HydrophobicContact CD1-CG 4.43Å; I43-L47 HydrophobicContact CG2-CD1 3.83Å; I43-L47 HydrophobicContact CG2-CG 4.25Å; I43-L47 WeakPolarHBondContact O-CG 3.47Å; I43-L47 PolarHBondContact O-N 3.47Å; L44-L47 HydrophobicContact CD2-CD1 4.38Å; L44-L47 PolarHBondContact O-N 2.69Å; L47-R50 PolarHBondContact O-N 2.79Å; L47-G51 PolarHBondContact O-N 3.44Å; L47-H52 HydrophobicContact CB-CB 4.26Å; L47-H52 WeakPolarHBondContact O-CB 3.46Å; L47-H52 PolarHBondContact O-CD2 3.11Å; L47-H52 VanDerWaalsContact O-CD2 3.25Å; L47-H52 PolarHBondContact O-N 3.41Å; L47-H52 VanDerWaalsContact O-N 3.11Å; L47-I54 HydrophobicContact CB-CD1 4.04Å; L47-L152 HydrophobicContact CD1-CD2 4.04Å; L47-I462 HydrophobicContact CD2-CD1 3.63Å; L47-I462 HydrophobicContact CD2-CG2 4.46Å; L47-I462 HydrophobicContact CG-CD1 3.66Å; L47-I465 HydrophobicContact CD1-CD1 4.21Å; L47-I465 HydrophobicContact CD1-CG2 4.35Å; L47-I465 HydrophobicContact CD2-CB 4.49Å; L47-I465 HydrophobicContact CD2-CG2 3.81Å
48H97.6Very high96.3Very high76 Ų7637 Ų3735%0.35219%0.191SC..Hα-helixtrans-65.9-41.8178.3-178.972.3000111.9L44 E45 E46 R50 G51 I54 I71L44-H48 VanDerWaalsContact O-CB 3.24Å; L44-H48 WeakPolarHBondContact O-CB 3.26Å; L44-H48 PolarHBondContact O-N 2.72Å; E45-H48 PolarHBondContact O-N 3.41Å; E46-H48 VanDerWaalsContact C-N 3.34Å; H48-R50 PolarHBondContact O-N 3.17Å; H48-G51 PolarHBondContact O-N 3.42Å; H48-I54 HydrophobicContact CB-CD1 4.01Å; H48-I71 HydrophobicContact CB-CB 4.09Å; H48-I71 HydrophobicContact CB-CG2 4.46Å; H48-I71 PolarHBondContact ND1-O 3.48Å
49S96.9Very high96.2Very high83 Ų8334.5 Ų34.558%0.5818%0.179SC*.Hα-helixtrans-61.5-25.2176.575.90000112.4E45 E46 G51E45-S49 PolarHBondContact O-N 2.91Å; E46-S49 PolarHBondContact O-N 3.07Å; E46-S49 PolarHBondContact O-OG 3.46Å; S49-G51 VanDerWaalsContact C-N 3.31Å
50R96.1Very high95.9Very high106 Ų10637.7 Ų37.740%0.421%0.205SC..THydrogen-bonded Turntrans-87.35.4174.1-65.7172.1-179.4-121.3-0114.1E46 L47 H48 D459 E466E46-R50 WeakPolarHBondContact O-CD 3.08Å; E46-R50 VanDerWaalsContact O-CG 3.3Å; E46-R50 WeakPolarHBondContact O-CG 3.04Å; E46-R50 PolarHBondContact O-N 2.86Å; E46-R50 IonicContact OE1-CZ 3.58Å; E46-R50 IonicContact OE1-NE 3.96Å; E46-R50 PolarHBondContact OE1-NE 3.17Å; E46-R50 IonicContact OE1-NH2 3.36Å; E46-R50 PolarHBondContact OE1-NH2 3.44Å; L47-R50 PolarHBondContact O-N 2.79Å; H48-R50 PolarHBondContact O-N 3.17Å; R50-D459 IonicContact NH2-OD1 3.76Å; R50-E466 IonicContact NH1-OE1 2.74Å
51G96.1Very high95.5Very high43 Ų4343.4 Ų43.444%0.44323%0.23SC..THydrogen-bonded Turntrans89.65.5173.300000115.2G24 L47 H48 S49G24-G51 VanDerWaalsContact CA-O 3.25Å; G24-G51 WeakPolarHBondContact CA-O 3.45Å; G24-G51 PolarHBondContact N-O 3Å; L47-G51 PolarHBondContact O-N 3.44Å; H48-G51 PolarHBondContact O-N 3.42Å; S49-G51 VanDerWaalsContact C-N 3.31Å
52H97.7Very high95Very high16 Ų1641.1 Ų41.17%0.07422%0.223CC..  trans-67.9141.5176.4-65.6-67.8000112.1S25 I27 L47 E466S25-H52 PolarHBondContact N-ND1 3.35Å; S25-H52 VanDerWaalsContact N-ND1 3.14Å; I27-H52 HydrophobicContact CD1-CB 3.95Å; L47-H52 HydrophobicContact CB-CB 4.26Å; L47-H52 WeakPolarHBondContact O-CB 3.46Å; L47-H52 PolarHBondContact O-CD2 3.11Å; L47-H52 VanDerWaalsContact O-CD2 3.25Å; L47-H52 PolarHBondContact O-N 3.41Å; L47-H52 VanDerWaalsContact O-N 3.11Å; H52-E466 IonicContact NE2-OE1 2.66Å
53Q97.8Very high94.3Very high113 Ų11344.4 Ų44.453%0.52823%0.233SC..EExtended strand (participates in β ladder)trans-90.7117.7175.6-64.8179.527.300109.3S25 K26 I27S25-Q53 PolarHBondContact O-N 2.92Å; K26-Q53 CarbonylContact C-O 3.51Å; K26-Q53 WeakPolarHBondContact CA-O 3.38Å; K26-Q53 HydrophobicContact CG-CB 4.23Å; I27-Q53 PolarHBondContact N-O 3.22Å
54I98.4Very high93.7Very high6 Ų647.4 Ų47.43%0.03125%0.245CC..EExtended strand (participates in β ladder)trans-108.8129-173.1-56.5176.7000109.5V29 L44 L47 H48 V56 Y72 T73V29-I54 HydrophobicContact CG2-CG2 3.69Å; L44-I54 HydrophobicContact CB-CD1 3.87Å; L44-I54 HydrophobicContact CD1-CG2 4.3Å; L44-I54 HydrophobicContact CD2-CD1 4.27Å; L44-I54 HydrophobicContact CD2-CG2 4.23Å; L44-I54 WeakPolarHBondContact O-CD1 3.32Å; L47-I54 HydrophobicContact CB-CD1 4.04Å; H48-I54 HydrophobicContact CB-CD1 4.01Å; I54-V56 HydrophobicContact CG2-CG2 4.04Å; I54-Y72 WeakPolarHBondContact O-CA 3.45Å; I54-Y72 WeakPolarHBondContact O-CB 3.2Å; I54-T73 PolarHBondContact O-N 3Å
55T98.4Very high93.4Very high19 Ų1947.8 Ų47.812%0.11725%0.247CC..EExtended strand (participates in β ladder)trans-118.5119.1169.8-600000109.6I27 L28 V29 T73 I75 F148I27-T55 PolarHBondContact O-N 3.47Å; L28-T55 HydrophobicContact CD1-CG2 4.35Å; V29-T55 PolarHBondContact N-O 3.3Å; T55-T73 CarbonylContact C-O 3.57Å; T55-T73 VanDerWaalsContact CA-O 3.29Å; T55-T73 WeakPolarHBondContact CA-O 3.34Å; T55-I75 HydrophobicContact CG2-CD1 3.56Å; T55-I75 HydrophobicContact CG2-CG1 3.9Å; T55-F148 HydrophobicContact CG2-CE1 4.46Å; T55-F148 HydrophobicContact CG2-CZ 3.98Å
56V98.1Very high93.1Very high0 Ų047.1 Ų47.10%025%0.249CC..EExtended strand (participates in β ladder)trans-102.8124.2-179178.40000109.9V29 P31 W37 L44 I54 I65 Y72 T73 S74 I75V29-V56 HydrophobicContact CB-CG2 3.99Å; V29-V56 HydrophobicContact CG1-CG2 4.15Å; V29-V56 WeakPolarHBondContact O-CA 3.41Å; P31-V56 HydrophobicContact CG-CG1 3.9Å; W37-V56 HydrophobicContact CH2-CG1 4.4Å; W37-V56 HydrophobicContact CH2-CG2 4.22Å; W37-V56 HydrophobicContact CZ3-CG1 4.11Å; W37-V56 HydrophobicContact CZ3-CG2 4.32Å; L44-V56 HydrophobicContact CD1-CG2 4.07Å; I54-V56 HydrophobicContact CG2-CG2 4.04Å; V56-I65 HydrophobicContact CG1-CG2 4.22Å; V56-Y72 HydrophobicContact CB-CD2 3.85Å; V56-Y72 HydrophobicContact CB-CE2 4.09Å; V56-Y72 HydrophobicContact CB-CG 4.29Å; V56-Y72 HydrophobicContact CG2-CD1 3.87Å; V56-Y72 HydrophobicContact CG2-CD2 3.59Å; V56-Y72 HydrophobicContact CG2-CE1 4.33Å; V56-Y72 HydrophobicContact CG2-CE2 4.05Å; V56-Y72 HydrophobicContact CG2-CG 3.51Å; V56-T73 PolarHBondContact N-O 3.39Å; V56-S74 CarbonylContact O-C 3.53Å; V56-S74 WeakPolarHBondContact O-CA 3.39Å; V56-I75 PolarHBondContact O-N 3.39Å
57L95.9Very high92.8Very high5 Ų547.3 Ų47.33%0.02626%0.256CS..EExtended strand (participates in β ladder)trans-81.9130.8165.5-56.6-168.9000109.1L28 V29 V30 P31 I75 V77 L143 L163L28-L57 HydrophobicContact CD1-CD1 4.27Å; L28-L57 HydrophobicContact CD1-CD2 4.03Å; L28-L57 HydrophobicContact CD1-CG 3.87Å; V29-L57 PolarHBondContact O-N 3.07Å; V30-L57 HydrophobicContact CG2-CD1 4Å; V30-L57 HydrophobicContact CG2-CG 4.32Å; P31-L57 WeakPolarHBondContact CD-O 3.37Å; L57-I75 WeakPolarHBondContact CA-O 3.25Å; L57-I75 HydrophobicContact CD2-CB 3.73Å; L57-I75 HydrophobicContact CD2-CD1 4.17Å; L57-I75 HydrophobicContact CD2-CG1 4.39Å; L57-I75 HydrophobicContact CD2-CG2 4.14Å; L57-V77 HydrophobicContact CB-CG1 4.36Å; L57-V77 HydrophobicContact CB-CG2 4.26Å; L57-V77 HydrophobicContact CD1-CG1 4.39Å; L57-V77 HydrophobicContact CD2-CG1 4.32Å; L57-L143 HydrophobicContact CD2-CD2 4.43Å; L57-L163 HydrophobicContact CD1-CD2 3.32Å
58R92.6Very high92.5Very high18 Ų1854 Ų547%0.06829%0.292CS..EExtended strand (participates in β ladder)trans-144.4159-179.358.3155.2-69.4159.45.3112.2A60 S62 I65 P66 I75 N76 V77R58-A60 PolarHBondContact NH2-O 3.02Å; R58-A60 VanDerWaalsContact NH2-O 3.14Å; R58-S62 VanDerWaalsContact NH2-CB 3.35Å; R58-I65 HydrophobicContact CB-CD1 4.34Å; R58-I65 HydrophobicContact CB-CG2 4.08Å; R58-I65 VanDerWaalsContact NH1-C 3.3Å; R58-I65 PolarHBondContact NH1-O 2.91Å; R58-P66 PolarHBondContact NH1-O 3.49Å; R58-I75 PolarHBondContact N-O 2.97Å; R58-N76 CarbonylContact O-C 3.53Å; R58-N76 VanDerWaalsContact O-CA 3.29Å; R58-N76 WeakPolarHBondContact O-CA 3.39Å; R58-V77 WeakPolarHBondContact O-CG2 3.4Å; R58-V77 PolarHBondContact O-N 3.46Å
59S88.6Confident92.3Very high8 Ų852.4 Ų52.46%0.05629%0.289CS..  trans-75147.7165.5163.20000110.5K61 S62 D82S59-K61 PolarHBondContact O-N 3.29Å; S59-K61 PolarHBondContact OG-N 3.39Å; S59-S62 PolarHBondContact N-OG 3.44Å; S59-S62 PolarHBondContact O-N 3.29Å; S59-S62 PolarHBondContact O-OG 3.41Å; S59-D82 VanDerWaalsContact CB-OD1 3.29Å; S59-D82 WeakPolarHBondContact CB-OD1 3.43Å; S59-D82 PolarHBondContact OG-OD1 3.13Å; S59-D82 PolarHBondContact OG-OD2 3.07Å
60A85.7Confident92.3Very high69 Ų6953.8 Ų53.857%0.5730%0.299SS*.THydrogen-bonded Turntrans-59.9-25.216900000113.3R58R58-A60 PolarHBondContact NH2-O 3.02Å; R58-A60 VanDerWaalsContact NH2-O 3.14Å
61K84.7Confident92.3Very high121 Ų12149.8 Ų49.853%0.52629%0.285SS..THydrogen-bonded Turntrans-95.46.8179.8-57.7-165.8-156.2170.60115.1S59 W63 D82S59-K61 PolarHBondContact O-N 3.29Å; S59-K61 PolarHBondContact OG-N 3.39Å; K61-W63 PolarHBondContact O-N 3.49Å; K61-D82 HydrophobicContact CB-CB 4.36Å; K61-D82 HydrophobicContact CD-CB 3.61Å; K61-D82 WeakPolarHBondContact CD-O 3.43Å; K61-D82 HydrophobicContact CG-CB 4.16Å; K61-D82 WeakPolarHBondContact CG-OD2 3.39Å; K61-D82 PolarHBondContact NZ-O 2.89Å
62S85.8Confident92.3Very high22 Ų2248.3 Ų48.315%0.15427%0.266CS..  trans-52.2134.6177.5-64.50000112.8D33 R58 S59D33-S62 VanDerWaalsContact OD2-C 3.22Å; D33-S62 WeakPolarHBondContact OD2-CA 3.04Å; D33-S62 WeakPolarHBondContact OD2-CB 3.47Å; D33-S62 PolarHBondContact OD2-OG 2.76Å; R58-S62 VanDerWaalsContact NH2-CB 3.35Å; S59-S62 PolarHBondContact N-OG 3.44Å; S59-S62 PolarHBondContact O-N 3.29Å; S59-S62 PolarHBondContact O-OG 3.41Å
63W80.6Confident92.3Very high102 Ų10251.3 Ų51.339%0.38629%0.286SS..SBendtrans-79.4-43.3-175.4-58.6-23.4000112.8D33 K61 R86 Y89 L313D33-W63 PolarHBondContact OD2-N 3.29Å; K61-W63 PolarHBondContact O-N 3.49Å; W63-R86 HydrophobicContact CH2-CG 4.21Å; W63-R86 HydrophobicContact CZ2-CG 4.02Å; W63-Y89 AromaticContact CH2-CE2 3.97Å; W63-Y89 HydrophobicContact CH2-CE2 3.97Å; W63-Y89 HydrophobicContact CZ3-CE2 4.4Å; W63-L313 HydrophobicContact CZ3-CD2 4.27Å
64Y84.9Confident92.2Very high63 Ų6347.3 Ų47.325%0.24727%0.27CS..SBendtrans-113.3-16.1-172.6-66.4-87.7000114D33 W37 I38 P66D33-Y64 WeakPolarHBondContact OD1-CB 3.28Å; D33-Y64 PolarHBondContact OD1-N 3.25Å; W37-Y64 VanDerWaalsContact CD1-C 3.49Å; W37-Y64 VanDerWaalsContact CD1-O 3.26Å; W37-Y64 PolarHBondContact NE1-O 2.92Å; I38-Y64 HydrophobicContact CD1-CD1 4.2Å; I38-Y64 HydrophobicContact CD1-CE1 4.3Å; I38-Y64 HydrophobicContact CG1-CD1 4.47Å; Y64-P66 VanDerWaalsContact O-CD 3.23Å; Y64-P66 WeakPolarHBondContact O-CD 3.37Å
65I91.8Very high92.1Very high7 Ų747.6 Ų47.64%0.03627%0.272CS..SBendtrans-82.3120.4173-42.6-175.3000106.1P31 W37 V56 R58P31-I65 HydrophobicContact CB-CD1 4.24Å; P31-I65 HydrophobicContact CG-CD1 3.5Å; W37-I65 HydrophobicContact CB-CG1 4.13Å; W37-I65 HydrophobicContact CD2-CB 4.34Å; W37-I65 HydrophobicContact CD2-CD1 4.2Å; W37-I65 HydrophobicContact CD2-CG1 3.64Å; W37-I65 HydrophobicContact CD2-CG2 4.34Å; W37-I65 HydrophobicContact CE3-CD1 4.12Å; W37-I65 HydrophobicContact CE3-CG1 4.05Å; W37-I65 HydrophobicContact CE3-CG2 4.44Å; W37-I65 HydrophobicContact CG-CD1 4.38Å; W37-I65 HydrophobicContact CG-CG1 3.65Å; W37-I65 HydrophobicContact CH2-CG2 4.05Å; W37-I65 HydrophobicContact CZ2-CG2 3.93Å; W37-I65 HydrophobicContact CZ3-CG2 4.29Å; V56-I65 HydrophobicContact CG1-CG2 4.22Å; R58-I65 HydrophobicContact CB-CD1 4.34Å; R58-I65 HydrophobicContact CB-CG2 4.08Å; R58-I65 VanDerWaalsContact NH1-C 3.3Å; R58-I65 PolarHBondContact NH1-O 2.91Å
66P92.1Very high91.8Very high57 Ų5751.2 Ų51.237%0.3729%0.29SS..  trans-81.1156.5170.229.7-35.6000111.9R58 Y64 Y72R58-P66 PolarHBondContact NH1-O 3.49Å; Y64-P66 VanDerWaalsContact O-CD 3.23Å; Y64-P66 WeakPolarHBondContact O-CD 3.37Å; P66-Y72 WeakPolarHBondContact CD-OH 3.42Å; P66-Y72 WeakPolarHBondContact CG-OH 3.39Å; P66-Y72 PolarHBondContact O-OH 3.22Å; P66-Y72 VanDerWaalsContact O-OH 3.06Å
67S91.1Very high91.3Very high59 Ų5951.7 Ų51.741%0.41329%0.293SS..SBendtrans-79-36.6174.651.90000111.1S74S67-S74 WeakPolarHBondContact O-CB 3.26Å; S67-S74 PolarHBondContact O-OG 2.86Å
68N91.4Very high90.3Very high142 Ų14254.6 Ų54.676%0.75931%0.312SS*.SBendtrans-100.7128.4177-64.1-15000109.9
69S94.8Very high89.4Confident42 Ų4255 Ų5529%0.29432%0.316SS..  trans-148.9144.2-178.3-178.80000109.5I71 Y72S69-I71 VanDerWaalsContact C-N 3.33Å; S69-I71 WeakPolarHBondContact OG-CG1 3.28Å; S69-I71 PolarHBondContact OG-N 2.88Å; S69-Y72 VanDerWaalsContact CB-CZ 3.48Å; S69-Y72 WeakPolarHBondContact OG-CD1 3.26Å; S69-Y72 WeakPolarHBondContact OG-CE1 3.03Å
70S95.4Very high88Confident111 Ų11157.1 Ų57.178%0.77633%0.326SS*.SBendtrans-79.8-18.2171.353.30000112.8
71I96.6Very high86.7Confident22 Ų2257 Ų5711%0.11331%0.314CS..SBendtrans-102.2-11.9-172.161.6160.7000113.8K41 L44 E45 H48 S69K41-I71 HydrophobicContact CG-CD1 4.29Å; L44-I71 HydrophobicContact CB-CD1 4.47Å; E45-I71 HydrophobicContact CG-CD1 3.65Å; H48-I71 HydrophobicContact CB-CB 4.09Å; H48-I71 HydrophobicContact CB-CG2 4.46Å; H48-I71 PolarHBondContact ND1-O 3.48Å; S69-I71 VanDerWaalsContact C-N 3.33Å; S69-I71 WeakPolarHBondContact OG-CG1 3.28Å; S69-I71 PolarHBondContact OG-N 2.88Å
72Y97.1Very high85.2Confident13 Ų1353.5 Ų53.55%0.05130%0.3CS..  trans-154.5158.2178.461.2-104.5000112.8W37 I54 V56 P66 S69W37-Y72 HydrophobicContact CH2-CD1 4.12Å; W37-Y72 AromaticContact CH2-CE1 3.4Å; W37-Y72 HydrophobicContact CH2-CE1 3.4Å; W37-Y72 AromaticContact CH2-CZ 3.74Å; W37-Y72 AromaticContact CZ2-CE1 3.59Å; W37-Y72 HydrophobicContact CZ2-CE1 3.59Å; W37-Y72 AromaticContact CZ2-CZ 3.84Å; W37-Y72 WeakPolarHBondContact CZ2-OH 3.48Å; I54-Y72 WeakPolarHBondContact O-CA 3.45Å; I54-Y72 WeakPolarHBondContact O-CB 3.2Å; V56-Y72 HydrophobicContact CB-CD2 3.85Å; V56-Y72 HydrophobicContact CB-CE2 4.09Å; V56-Y72 HydrophobicContact CB-CG 4.29Å; V56-Y72 HydrophobicContact CG2-CD1 3.87Å; V56-Y72 HydrophobicContact CG2-CD2 3.59Å; V56-Y72 HydrophobicContact CG2-CE1 4.33Å; V56-Y72 HydrophobicContact CG2-CE2 4.05Å; V56-Y72 HydrophobicContact CG2-CG 3.51Å; P66-Y72 WeakPolarHBondContact CD-OH 3.42Å; P66-Y72 WeakPolarHBondContact CG-OH 3.39Å; P66-Y72 PolarHBondContact O-OH 3.22Å; P66-Y72 VanDerWaalsContact O-OH 3.06Å; S69-Y72 VanDerWaalsContact CB-CZ 3.48Å; S69-Y72 WeakPolarHBondContact OG-CD1 3.26Å; S69-Y72 WeakPolarHBondContact OG-CE1 3.03Å
73T97.1Very high83.5Confident78 Ų7860.2 Ų60.248%0.47933%0.329SS..EExtended strand (participates in β ladder)trans-88.1135.4164.3-56.70000109.6I54 T55 V56I54-T73 PolarHBondContact O-N 3Å; T55-T73 CarbonylContact C-O 3.57Å; T55-T73 VanDerWaalsContact CA-O 3.29Å; T55-T73 WeakPolarHBondContact CA-O 3.34Å; V56-T73 PolarHBondContact N-O 3.39Å
74S96.2Very high82.2Confident29 Ų2958 Ų5820%0.20333%0.333CS..EExtended strand (participates in β ladder)trans-100149.1174.669.50000112.1V56 S67V56-S74 CarbonylContact O-C 3.53Å; V56-S74 WeakPolarHBondContact O-CA 3.39Å; S67-S74 WeakPolarHBondContact O-CB 3.26Å; S67-S74 PolarHBondContact O-OG 2.86Å
75I95.2Very high81.2Confident13 Ų1359.7 Ų59.77%0.06735%0.346CS..EExtended strand (participates in β ladder)trans-128.6123.9168.5-58.3177.8000107.4T55 V56 L57 R58 L139 L143T55-I75 HydrophobicContact CG2-CD1 3.56Å; T55-I75 HydrophobicContact CG2-CG1 3.9Å; V56-I75 PolarHBondContact O-N 3.39Å; L57-I75 WeakPolarHBondContact CA-O 3.25Å; L57-I75 HydrophobicContact CD2-CB 3.73Å; L57-I75 HydrophobicContact CD2-CD1 4.17Å; L57-I75 HydrophobicContact CD2-CG1 4.39Å; L57-I75 HydrophobicContact CD2-CG2 4.14Å; R58-I75 PolarHBondContact N-O 2.97Å; I75-L139 HydrophobicContact CG2-CD1 3.71Å; I75-L143 HydrophobicContact CD1-CD2 4.38Å
76N92.6Very high79.9Confident94 Ų9466.2 Ų66.250%0.50337%0.37SS..EExtended strand (participates in β ladder)trans-76.3129.2175-70.1-25.8000109.8R58R58-N76 CarbonylContact O-C 3.53Å; R58-N76 VanDerWaalsContact O-CA 3.29Å; R58-N76 WeakPolarHBondContact O-CA 3.39Å
77V88Confident79Confident10 Ų1067.9 Ų67.96%0.06138%0.376CS..  trans-120.8142.1173.8-68.60000109.4L57 R58 M79 I133 L139L57-V77 HydrophobicContact CB-CG1 4.36Å; L57-V77 HydrophobicContact CB-CG2 4.26Å; L57-V77 HydrophobicContact CD1-CG1 4.39Å; L57-V77 HydrophobicContact CD2-CG1 4.32Å; R58-V77 WeakPolarHBondContact O-CG2 3.4Å; R58-V77 PolarHBondContact O-N 3.46Å; V77-M79 HydrophobicContact CB-CE 3.89Å; V77-M79 HydrophobicContact CG2-CE 3.46Å; V77-M79 VanDerWaalsContact CG2-CE 3.46Å; V77-M79 HydrophobicContact CG2-CG 4.35Å; V77-M79 HydrophobicContact CG2-SD 4.39Å; V77-M79 PolarHBondContact O-N 3.21Å; V77-M79 VanDerWaalsContact O-N 3.1Å; V77-I133 HydrophobicContact CB-CD1 4.42Å; V77-I133 HydrophobicContact CB-CG1 4.32Å; V77-L139 HydrophobicContact CG1-CD2 3.76Å
78P74.8Confident78.4Confident66 Ų6669.2 Ų69.243%0.42938%0.375SS..  trans-70.7107179.228.3-32.3000109.7K132P78-K132 HydrophobicContact CG-CB 4.47Å
79M72.7Confident77.8Confident28 Ų2865.2 Ų65.214%0.13835%0.35CS..  trans-101.7127.5171.9-64.1-63.499.800108.8V77 E81 D82 I133V77-M79 HydrophobicContact CB-CE 3.89Å; V77-M79 HydrophobicContact CG2-CE 3.46Å; V77-M79 VanDerWaalsContact CG2-CE 3.46Å; V77-M79 HydrophobicContact CG2-CG 4.35Å; V77-M79 HydrophobicContact CG2-SD 4.39Å; V77-M79 PolarHBondContact O-N 3.21Å; V77-M79 VanDerWaalsContact O-N 3.1Å; M79-E81 PolarHBondContact O-N 3.42Å; M79-D82 VanDerWaalsContact O-CB 3.29Å; M79-D82 WeakPolarHBondContact O-CB 3.33Å; M79-I133 HydrophobicContact CE-CD1 3.34Å; M79-I133 HydrophobicContact CE-CG1 4.02Å
80L59.7Low77.1Confident51 Ų5166.5 Ų66.527%0.26735%0.352SS..G310 helixtrans-79.1-7.5176.8-68.3169.9000112.8D82 I125 K128 S129L80-D82 PolarHBondContact O-N 2.87Å; L80-I125 HydrophobicContact CB-CG2 3.42Å; L80-I125 VanDerWaalsContact CB-CG2 3.42Å; L80-K128 HydrophobicContact CD1-CB 3.76Å; L80-S129 WeakPolarHBondContact CB-OG 3.45Å; L80-S129 PolarHBondContact N-OG 3.49Å
81E58.9Low76.6Confident68 Ų6864.6 Ų64.632%0.31834%0.336SS..G310 helixtrans-70.5-8.8172.2-69-176.714700113.7M79 E83 A84 I125 L126 L157M79-E81 PolarHBondContact O-N 3.42Å; E81-E83 PolarHBondContact O-N 3.08Å; E81-A84 PolarHBondContact O-N 3.35Å; E81-I125 HydrophobicContact CG-CG2 4.07Å; E81-L126 HydrophobicContact CG-CD2 4.34Å; E81-L126 VanDerWaalsContact OE1-CD2 3.28Å; E81-L126 WeakPolarHBondContact OE1-CD2 3.34Å; E81-L126 WeakPolarHBondContact OE1-CG 3.38Å; E81-L157 WeakPolarHBondContact OE2-CD1 3.46Å
82D53.6Low76.1Confident46 Ų4664 Ų6425%0.24633%0.333CS..G310 helixtrans-59.2-0.7177.3-8411000115.2S59 K61 M79 L80S59-D82 VanDerWaalsContact CB-OD1 3.29Å; S59-D82 WeakPolarHBondContact CB-OD1 3.43Å; S59-D82 PolarHBondContact OG-OD1 3.13Å; S59-D82 PolarHBondContact OG-OD2 3.07Å; K61-D82 HydrophobicContact CB-CB 4.36Å; K61-D82 HydrophobicContact CD-CB 3.61Å; K61-D82 WeakPolarHBondContact CD-O 3.43Å; K61-D82 HydrophobicContact CG-CB 4.16Å; K61-D82 WeakPolarHBondContact CG-OD2 3.39Å; K61-D82 PolarHBondContact NZ-O 2.89Å; M79-D82 VanDerWaalsContact O-CB 3.29Å; M79-D82 WeakPolarHBondContact O-CB 3.33Å; L80-D82 PolarHBondContact O-N 2.87Å
83E49.1Very low75.6Confident163 Ų16364 Ų6476%0.76233%0.333SS*.G310 helixtrans-105.9-4.6179.6-62.4-178.1-17500112.9E81 D85E81-E83 PolarHBondContact O-N 3.08Å; E83-D85 PolarHBondContact O-N 3.45Å
84A53.9Low75.1Confident56 Ų5665.6 Ų65.646%0.46334%0.336SS..  trans-73.2108.5176.700000111.3E81E81-A84 PolarHBondContact O-N 3.35Å
85D63.4Low74.7Confident98 Ų9867.6 Ų67.652%0.52434%0.344SS..  trans-67143.7174-160.9-25.6000110.7E83 D87 F88E83-D85 PolarHBondContact O-N 3.45Å; D85-D87 HydrophobicContact CB-CB 4.28Å; D85-D87 PolarHBondContact O-N 2.83Å; D85-D87 VanDerWaalsContact O-N 3.14Å; D85-D87 PolarHBondContact OD1-N 2.87Å; D85-F88 WeakPolarHBondContact O-CB 3.01Å; D85-F88 PolarHBondContact O-N 2.67Å
86R65Low74.4Confident144 Ų14467.1 Ų67.154%0.54334%0.342SS..THydrogen-bonded Turntrans-57.1-27.4170.8-76.1-172.7179.7-179.92.3111.6W63 F88 Y89W63-R86 HydrophobicContact CH2-CG 4.21Å; W63-R86 HydrophobicContact CZ2-CG 4.02Å; R86-F88 PolarHBondContact O-N 3.44Å; R86-Y89 PolarHBondContact O-N 2.62Å; R86-Y89 VanDerWaalsContact O-N 3.15Å
87D72.6Confident74.2Confident92 Ų9263.5 Ų63.549%0.49232%0.322SS..Hα-helixtrans-58.8-26.1175.1-72.8-6.3000112.7D85 Y89 I90 T91D85-D87 HydrophobicContact CB-CB 4.28Å; D85-D87 PolarHBondContact O-N 2.83Å; D85-D87 VanDerWaalsContact O-N 3.14Å; D85-D87 PolarHBondContact OD1-N 2.87Å; D87-Y89 VanDerWaalsContact C-N 3.32Å; D87-Y89 PolarHBondContact O-N 2.6Å; D87-I90 WeakPolarHBondContact O-CB 3.19Å; D87-I90 PolarHBondContact O-N 3.09Å; D87-I90 VanDerWaalsContact O-N 3.09Å; D87-T91 PolarHBondContact O-N 2.74Å; D87-T91 PolarHBondContact O-OG1 3.3Å
88F78.3Confident74.2Confident88 Ų8869.8 Ų69.839%0.38635%0.346SS..Hα-helixtrans-54.3-45.6173.4174.6-101.6000112.6D85 R86 I90 T91 M92 A118D85-F88 WeakPolarHBondContact O-CB 3.01Å; D85-F88 PolarHBondContact O-N 2.67Å; R86-F88 PolarHBondContact O-N 3.44Å; F88-I90 VanDerWaalsContact C-N 3.32Å; F88-I90 PolarHBondContact O-N 2.93Å; F88-T91 PolarHBondContact O-N 2.95Å; F88-M92 HydrophobicContact CE1-CE 3.43Å; F88-M92 VanDerWaalsContact CE1-CE 3.43Å; F88-M92 HydrophobicContact CE2-CE 4.3Å; F88-M92 HydrophobicContact CZ-CE 3.3Å; F88-M92 WeakPolarHBondContact O-CB 3.12Å; F88-M92 PolarHBondContact O-N 2.83Å; F88-A118 HydrophobicContact CE2-CB 4.46Å; F88-A118 HydrophobicContact CZ-CB 3.76Å
89Y78.4Confident74.7Confident58 Ų5870.7 Ų70.723%0.22734%0.341CS..Hα-helixtrans-69.5-32.7179.5-67.3-76.2000111.8W63 R86 D87 M92 I93 L313 F398W63-Y89 AromaticContact CH2-CE2 3.97Å; W63-Y89 HydrophobicContact CH2-CE2 3.97Å; W63-Y89 HydrophobicContact CZ3-CE2 4.4Å; R86-Y89 PolarHBondContact O-N 2.62Å; R86-Y89 VanDerWaalsContact O-N 3.15Å; D87-Y89 VanDerWaalsContact C-N 3.32Å; D87-Y89 PolarHBondContact O-N 2.6Å; Y89-M92 PolarHBondContact O-N 3.37Å; Y89-I93 WeakPolarHBondContact O-CD1 3.48Å; Y89-I93 WeakPolarHBondContact O-CG1 3.49Å; Y89-I93 PolarHBondContact O-N 2.8Å; Y89-L313 HydrophobicContact CD1-CD1 4Å; Y89-L313 HydrophobicContact CD2-CD2 4.2Å; Y89-L313 HydrophobicContact CE1-CD1 3.99Å; Y89-L313 HydrophobicContact CE2-CD2 4.18Å; Y89-L313 HydrophobicContact CG-CD1 4.42Å; Y89-L313 HydrophobicContact CG-CD2 4.48Å; Y89-F398 HydrophobicContact CD1-CE2 4.19Å; Y89-F398 HydrophobicContact CD1-CZ 4.1Å; Y89-F398 HydrophobicContact CE1-CE2 4.08Å; Y89-F398 AromaticContact CE1-CZ 3.87Å; Y89-F398 HydrophobicContact CE1-CZ 3.87Å
90I80.4Confident75.4Confident68 Ų6870.5 Ų70.535%0.34934%0.338SS..Hα-helixtrans-65.8-47.3176.4-61.9177.4000109.8D87 F88 M92 I93 Q94D87-I90 WeakPolarHBondContact O-CB 3.19Å; D87-I90 PolarHBondContact O-N 3.09Å; D87-I90 VanDerWaalsContact O-N 3.09Å; F88-I90 VanDerWaalsContact C-N 3.32Å; F88-I90 PolarHBondContact O-N 2.93Å; I90-M92 VanDerWaalsContact C-N 3.33Å; I90-M92 PolarHBondContact O-N 3.33Å; I90-I93 PolarHBondContact O-N 2.92Å; I90-Q94 WeakPolarHBondContact O-CG 3.33Å; I90-Q94 PolarHBondContact O-N 3.24Å
91T84.3Confident76.7Confident72 Ų7271.6 Ų71.644%0.44235%0.35SS..Hα-helixtrans-59.3-44.6175-56.40000111.2D87 F88 I93 Q94 D95D87-T91 PolarHBondContact O-N 2.74Å; D87-T91 PolarHBondContact O-OG1 3.3Å; F88-T91 PolarHBondContact O-N 2.95Å; T91-I93 PolarHBondContact O-N 3.35Å; T91-Q94 WeakPolarHBondContact O-CB 3.24Å; T91-Q94 PolarHBondContact O-N 3.43Å; T91-Q94 VanDerWaalsContact O-N 3.17Å; T91-D95 PolarHBondContact O-N 3.32Å
92M85.8Confident78.2Confident8 Ų871.7 Ų71.74%0.03935%0.348CS..Hα-helixtrans-61.5-41.4177.7-169.9-177.3-77.900112.4F88 Y89 I90 Q94 D95 V96 L114 L115 A118 L397 F398F88-M92 HydrophobicContact CE1-CE 3.43Å; F88-M92 VanDerWaalsContact CE1-CE 3.43Å; F88-M92 HydrophobicContact CE2-CE 4.3Å; F88-M92 HydrophobicContact CZ-CE 3.3Å; F88-M92 WeakPolarHBondContact O-CB 3.12Å; F88-M92 PolarHBondContact O-N 2.83Å; Y89-M92 PolarHBondContact O-N 3.37Å; I90-M92 VanDerWaalsContact C-N 3.33Å; I90-M92 PolarHBondContact O-N 3.33Å; M92-Q94 VanDerWaalsContact C-N 3.33Å; M92-Q94 PolarHBondContact O-N 2.84Å; M92-D95 PolarHBondContact O-N 2.99Å; M92-V96 WeakPolarHBondContact O-CG2 3.2Å; M92-V96 PolarHBondContact O-N 3.11Å; M92-L114 HydrophobicContact CG-CD2 3.98Å; M92-L115 HydrophobicContact CE-CD2 4.36Å; M92-L115 HydrophobicContact SD-CD2 3.92Å; M92-A118 HydrophobicContact CE-CB 4Å; M92-L397 HydrophobicContact CB-CD1 4.47Å; M92-L397 HydrophobicContact CB-CD2 4.34Å; M92-L397 HydrophobicContact CG-CD1 4.39Å; M92-L397 HydrophobicContact CG-CD2 3.69Å; M92-L397 HydrophobicContact SD-CD1 4.27Å; M92-L397 HydrophobicContact SD-CD2 4.08Å; M92-F398 HydrophobicContact SD-CE1 3.68Å; M92-F398 HydrophobicContact SD-CZ 3.7Å
93I87.2Confident79.9Confident13 Ų1373.4 Ų73.47%0.06736%0.362CS..Hα-helixtrans-59-47174.9-70.7161.5000110.1Y89 I90 T91 D95 V96 M97 V314 L397Y89-I93 WeakPolarHBondContact O-CD1 3.48Å; Y89-I93 WeakPolarHBondContact O-CG1 3.49Å; Y89-I93 PolarHBondContact O-N 2.8Å; I90-I93 PolarHBondContact O-N 2.92Å; T91-I93 PolarHBondContact O-N 3.35Å; I93-D95 PolarHBondContact O-N 3.22Å; I93-V96 PolarHBondContact O-N 3.16Å; I93-M97 HydrophobicContact CG2-CG 4.2Å; I93-M97 HydrophobicContact CG2-SD 3.7Å; I93-M97 WeakPolarHBondContact O-CB 3.5Å; I93-M97 WeakPolarHBondContact O-CG 3.25Å; I93-M97 PolarHBondContact O-N 3.04Å; I93-V314 HydrophobicContact CD1-CG2 3.66Å; I93-L397 HydrophobicContact CD1-CD1 4.15Å; I93-L397 HydrophobicContact CG1-CD1 3.38Å; I93-L397 HydrophobicContact CG1-CD2 4.22Å; I93-L397 HydrophobicContact CG1-CG 3.59Å
94Q86.8Confident81.7Confident113 Ų11369.1 Ų69.153%0.52834%0.344SS..Hα-helixtrans-61.7-44.1-179.6-69.9175.3-4.800111.6I90 T91 M92 M97 Y98I90-Q94 WeakPolarHBondContact O-CG 3.33Å; I90-Q94 PolarHBondContact O-N 3.24Å; T91-Q94 WeakPolarHBondContact O-CB 3.24Å; T91-Q94 PolarHBondContact O-N 3.43Å; T91-Q94 VanDerWaalsContact O-N 3.17Å; M92-Q94 VanDerWaalsContact C-N 3.33Å; M92-Q94 PolarHBondContact O-N 2.84Å; Q94-M97 PolarHBondContact O-N 2.83Å; Q94-Y98 WeakPolarHBondContact O-CB 3.23Å; Q94-Y98 PolarHBondContact O-N 2.92Å
95D87.9Confident83.5Confident70 Ų7071 Ų7137%0.37434%0.342SS..Hα-helixtrans-63-47.6176.5-81.9-20.1000111.8T91 M92 I93 M97 Y98 R99 L114T91-D95 PolarHBondContact O-N 3.32Å; M92-D95 PolarHBondContact O-N 2.99Å; I93-D95 PolarHBondContact O-N 3.22Å; D95-M97 PolarHBondContact O-N 2.67Å; D95-Y98 PolarHBondContact O-N 2.79Å; D95-R99 WeakPolarHBondContact O-CG 3.26Å; D95-R99 PolarHBondContact O-N 2.92Å; D95-L114 HydrophobicContact CB-CD2 3.82Å
96V89.5Confident84.8Confident4 Ų470 Ų702%0.02434%0.336CS..Hα-helixtrans-58.5-50.8176.11700000109.8M92 I93 Y98 R99 R100 Q111 L114 L396 L397 F401M92-V96 WeakPolarHBondContact O-CG2 3.2Å; M92-V96 PolarHBondContact O-N 3.11Å; I93-V96 PolarHBondContact O-N 3.16Å; V96-Y98 VanDerWaalsContact C-N 3.28Å; V96-Y98 PolarHBondContact O-N 2.99Å; V96-R99 CarbonylContact O-C 3.57Å; V96-R99 PolarHBondContact O-N 3.24Å; V96-R100 HydrophobicContact CG1-CG 4.4Å; V96-R100 VanDerWaalsContact O-CG 3.31Å; V96-R100 WeakPolarHBondContact O-CG 3.33Å; V96-R100 PolarHBondContact O-N 3.01Å; V96-Q111 HydrophobicContact CG2-CG 4.29Å; V96-L114 HydrophobicContact CG2-CD2 3.85Å; V96-L396 WeakPolarHBondContact CG1-O 3.32Å; V96-L397 HydrophobicContact CB-CD2 3.93Å; V96-L397 HydrophobicContact CG1-CD2 4.48Å; V96-L397 HydrophobicContact CG2-CD2 3.51Å; V96-F401 HydrophobicContact CG1-CE2 4.17Å; V96-F401 HydrophobicContact CG1-CZ 3.87Å
97M88Confident86.1Confident18 Ų1864.5 Ų64.59%0.08932%0.315CS..Hα-helixtrans-55.3-41.4177.9-75.8178.263.800112.7I93 Q94 D95 R100 P318 I321 V418 R419I93-M97 HydrophobicContact CG2-CG 4.2Å; I93-M97 HydrophobicContact CG2-SD 3.7Å; I93-M97 WeakPolarHBondContact O-CB 3.5Å; I93-M97 WeakPolarHBondContact O-CG 3.25Å; I93-M97 PolarHBondContact O-N 3.04Å; Q94-M97 PolarHBondContact O-N 2.83Å; D95-M97 PolarHBondContact O-N 2.67Å; M97-R100 PolarHBondContact O-N 2.78Å; M97-P318 HydrophobicContact CE-CG 4.23Å; M97-I321 HydrophobicContact CE-CD1 3.49Å; M97-I321 VanDerWaalsContact CE-CD1 3.49Å; M97-V418 HydrophobicContact CE-CG1 3.97Å; M97-V418 HydrophobicContact SD-CG1 4.35Å; M97-R419 WeakPolarHBondContact O-CD 3.46Å; M97-R419 WeakPolarHBondContact O-CG 3.49Å
98Y87.2Confident87.1Confident141 Ų14160.1 Ų60.155%0.55329%0.292SS*.Hα-helixtrans-62.8-46.5175.6177.4-98.2000111.4Q94 D95 V96 R100 S101Q94-Y98 WeakPolarHBondContact O-CB 3.23Å; Q94-Y98 PolarHBondContact O-N 2.92Å; D95-Y98 PolarHBondContact O-N 2.79Å; V96-Y98 VanDerWaalsContact C-N 3.28Å; V96-Y98 PolarHBondContact O-N 2.99Å; Y98-R100 VanDerWaalsContact C-N 3.27Å; Y98-R100 PolarHBondContact O-N 3.41Å; Y98-S101 WeakPolarHBondContact O-CB 3.18Å; Y98-S101 PolarHBondContact O-N 3.24Å; Y98-S101 PolarHBondContact O-OG 3.02Å
99R86.5Confident87.8Confident86 Ų8658.1 Ų58.133%0.32528%0.283SS..Hα-helixtrans-69.5-20.4-179.7-61.4-72.4-174.4-175.26.4113.3D95 V96 S101 Y102D95-R99 WeakPolarHBondContact O-CG 3.26Å; D95-R99 PolarHBondContact O-N 2.92Å; V96-R99 CarbonylContact O-C 3.57Å; V96-R99 PolarHBondContact O-N 3.24Å; R99-S101 PolarHBondContact O-N 3.01Å; R99-S101 VanDerWaalsContact O-N 3.08Å; R99-Y102 HydrophobicContact CB-CD2 4.43Å; R99-Y102 VanDerWaalsContact CD-CE2 3.45Å; R99-Y102 PolarHBondContact NH1-OH 3.33Å; R99-Y102 WeakPolarHBondContact O-CB 3.31Å; R99-Y102 PolarHBondContact O-N 2.89Å
100R87.4Confident88.3Confident24 Ų2459.8 Ų59.89%0.09129%0.289CS..THydrogen-bonded Turntrans-61.7-11.5171.7-59.8-58.5-94.7178.86.2113.3V96 M97 Y98 Y102 E201 F401 E417 R419V96-R100 HydrophobicContact CG1-CG 4.4Å; V96-R100 VanDerWaalsContact O-CG 3.31Å; V96-R100 WeakPolarHBondContact O-CG 3.33Å; V96-R100 PolarHBondContact O-N 3.01Å; M97-R100 PolarHBondContact O-N 2.78Å; Y98-R100 VanDerWaalsContact C-N 3.27Å; Y98-R100 PolarHBondContact O-N 3.41Å; R100-Y102 VanDerWaalsContact C-N 3.28Å; R100-E201 IonicContact CZ-OE1 3.01Å; R100-E201 IonicContact NH1-OE1 2.83Å; R100-E201 PolarHBondContact NH1-OE1 3.37Å; R100-E201 IonicContact NH1-OE2 3.72Å; R100-E201 IonicContact NH2-OE1 3.67Å; R100-E201 IonicContact NH2-OE2 2.99Å; R100-E201 PolarHBondContact NH2-OE2 2.93Å; R100-F401 VanDerWaalsContact NE-CE1 3.31Å; R100-E417 IonicContact CZ-OE1 3.32Å; R100-E417 IonicContact CZ-OE2 3.49Å; R100-E417 IonicContact NE-OE1 2.77Å; R100-E417 IonicContact NE-OE2 3.87Å; R100-E417 PolarHBondContact NE-OE2 3.43Å; R100-E417 VanDerWaalsContact NH2-CD 3.29Å; R100-E417 IonicContact NH2-OE1 2.62Å; R100-E417 PolarHBondContact NH2-OE1 2.95Å; R100-E417 IonicContact NH2-OE2 3.6Å; R100-E417 PolarHBondContact NH2-OE2 2.49Å; R100-R419 HydrophobicContact CB-CB 4.29Å
101S85.9Confident88.7Confident74 Ų7457.1 Ų57.152%0.51728%0.276SS..THydrogen-bonded Turntrans-71.8-18.2172.163.20000114.1Y98 R99Y98-S101 WeakPolarHBondContact O-CB 3.18Å; Y98-S101 PolarHBondContact O-N 3.24Å; Y98-S101 PolarHBondContact O-OG 3.02Å; R99-S101 PolarHBondContact O-N 3.01Å; R99-S101 VanDerWaalsContact O-N 3.08Å
102Y90.1Very high88.9Confident69 Ų6955 Ų5527%0.27126%0.26SS..SBendtrans-78.6159.4178.1-62.7-37.2000112.6R99 R100 I106 Y110R99-Y102 HydrophobicContact CB-CD2 4.43Å; R99-Y102 VanDerWaalsContact CD-CE2 3.45Å; R99-Y102 PolarHBondContact NH1-OH 3.33Å; R99-Y102 WeakPolarHBondContact O-CB 3.31Å; R99-Y102 PolarHBondContact O-N 2.89Å; R100-Y102 VanDerWaalsContact C-N 3.28Å; Y102-I106 HydrophobicContact CD2-CG2 4.41Å; Y102-Y110 AromaticContact CD2-CD2 3.8Å; Y102-Y110 HydrophobicContact CD2-CD2 3.8Å; Y102-Y110 AromaticContact CD2-CE2 3.96Å; Y102-Y110 HydrophobicContact CD2-CE2 3.96Å; Y102-Y110 HydrophobicContact CD2-CG 4.44Å; Y102-Y110 AromaticContact CE2-CD2 4Å; Y102-Y110 HydrophobicContact CE2-CD2 4Å; Y102-Y110 AromaticContact CE2-CE2 3.87Å; Y102-Y110 HydrophobicContact CE2-CE2 3.87Å; Y102-Y110 HydrophobicContact CE2-CG 4.42Å
103P90.7Very high89.1Confident82 Ų8261.2 Ų61.253%0.53229%0.285SS..  trans-52.3146.3172.7-26.735.3000112.6F105 I106 R107P103-F105 PolarHBondContact O-N 3.25Å; P103-F105 VanDerWaalsContact O-N 3.11Å; P103-I106 PolarHBondContact O-N 2.78Å; P103-R107 PolarHBondContact O-N 3.07Å
104N86.6Confident89Confident73 Ų7362.6 Ų62.639%0.3929%0.292SS..Hα-helixtrans-51.6-40.6-174.6179.6-75.6000113.4I106 R107 K213N104-I106 VanDerWaalsContact C-N 3.35Å; N104-I106 PolarHBondContact O-N 2.92Å; N104-R107 PolarHBondContact ND2-NH2 2.69Å; N104-R107 WeakPolarHBondContact O-CG 3.33Å; N104-K213 PolarHBondContact OD1-NZ 2.99Å
105F91.1Very high88.8Confident96 Ų9658.5 Ų58.542%0.42127%0.274SS..Hα-helixtrans-57.5-50.2177.9-168.9-85.4000111.1P103 T108 F109 K213 L216P103-F105 PolarHBondContact O-N 3.25Å; P103-F105 VanDerWaalsContact O-N 3.11Å; F105-T108 PolarHBondContact O-OG1 2.92Å; F105-T108 VanDerWaalsContact O-OG1 3.09Å; F105-F109 HydrophobicContact CD1-CD2 4.44Å; F105-F109 HydrophobicContact CD1-CE2 4.14Å; F105-F109 HydrophobicContact CE1-CD2 4.36Å; F105-F109 AromaticContact CE1-CE2 3.79Å; F105-F109 HydrophobicContact CE1-CE2 3.79Å; F105-F109 HydrophobicContact CZ-CE2 4.11Å; F105-F109 WeakPolarHBondContact O-CD2 3.3Å; F105-K213 HydrophobicContact CD2-CB 4.14Å; F105-K213 HydrophobicContact CD2-CD 4.18Å; F105-K213 HydrophobicContact CD2-CG 4.08Å; F105-K213 HydrophobicContact CE2-CB 3.75Å; F105-K213 HydrophobicContact CE2-CG 4Å; F105-L216 HydrophobicContact CZ-CD1 3.91Å
106I92.1Very high88.7Confident76 Ų7655.4 Ų55.439%0.3926%0.257SS..Hα-helixtrans-76.1-41.3-173.1-66.3174.5000111.8Y102 P103 N104 T108 F109 Y110Y102-I106 HydrophobicContact CD2-CG2 4.41Å; P103-I106 PolarHBondContact O-N 2.78Å; N104-I106 VanDerWaalsContact C-N 3.35Å; N104-I106 PolarHBondContact O-N 2.92Å; I106-T108 VanDerWaalsContact C-N 3.26Å; I106-T108 PolarHBondContact O-N 2.81Å; I106-F109 PolarHBondContact O-N 3.34Å; I106-Y110 HydrophobicContact CG2-CD2 3.45Å; I106-Y110 VanDerWaalsContact CG2-CD2 3.45Å; I106-Y110 HydrophobicContact CG2-CE2 3.33Å; I106-Y110 WeakPolarHBondContact O-CD2 3.28Å; I106-Y110 PolarHBondContact O-N 3.35Å
107R91.3Very high88.4Confident30 Ų3058.1 Ų58.111%0.11328%0.276CS..Hα-helixtrans-58.9-36.7-174.179.3-172.6-175.8170.66.8112.8P103 N104 Y110 Q111 E201 E417P103-R107 PolarHBondContact O-N 3.07Å; N104-R107 PolarHBondContact ND2-NH2 2.69Å; N104-R107 WeakPolarHBondContact O-CG 3.33Å; R107-Y110 PolarHBondContact O-N 3.15Å; R107-Q111 PolarHBondContact O-N 3.22Å; R107-E201 IonicContact CZ-OE2 3.6Å; R107-E201 IonicContact NE-OE2 3.75Å; R107-E201 IonicContact NH2-OE2 2.74Å; R107-E201 PolarHBondContact NH2-OE2 2.83Å; R107-E417 IonicContact CZ-OE1 3.36Å; R107-E417 IonicContact NH1-OE1 2.85Å; R107-E417 PolarHBondContact NH1-OE1 3.38Å; R107-E417 IonicContact NH2-OE1 3.03Å; R107-E417 PolarHBondContact NH2-OE1 2.92Å
108T93.1Very high88.1Confident0 Ų058.8 Ų58.80%029%0.285CS..Hα-helixtrans-67-38.8-179.357.30000112.7F105 I106 Q111 Q112 G199 E201 K213 H217F105-T108 PolarHBondContact O-OG1 2.92Å; F105-T108 VanDerWaalsContact O-OG1 3.09Å; I106-T108 VanDerWaalsContact C-N 3.26Å; I106-T108 PolarHBondContact O-N 2.81Å; T108-Q111 PolarHBondContact O-N 3.18Å; T108-Q112 PolarHBondContact O-N 2.7Å; T108-G199 WeakPolarHBondContact CB-O 3.4Å; T108-E201 HydrophobicContact CG2-CB 4.3Å; T108-E201 HydrophobicContact CG2-CG 4.1Å; T108-K213 WeakPolarHBondContact OG1-CE 3.43Å; T108-K213 PolarHBondContact OG1-NZ 2.96Å; T108-H217 PolarHBondContact OG1-NE2 2.73Å
109F93.3Very high87.6Confident46 Ų4655.4 Ų55.420%0.20228%0.276CS..Hα-helixtrans-70.7-35.4175.5-68.5-73.6000112.5F105 I106 Q111 Q112 Y113 K213 L216 H217F105-F109 HydrophobicContact CD1-CD2 4.44Å; F105-F109 HydrophobicContact CD1-CE2 4.14Å; F105-F109 HydrophobicContact CE1-CD2 4.36Å; F105-F109 AromaticContact CE1-CE2 3.79Å; F105-F109 HydrophobicContact CE1-CE2 3.79Å; F105-F109 HydrophobicContact CZ-CE2 4.11Å; F105-F109 WeakPolarHBondContact O-CD2 3.3Å; I106-F109 PolarHBondContact O-N 3.34Å; F109-Q111 VanDerWaalsContact C-N 3.35Å; F109-Q112 PolarHBondContact O-N 3.17Å; F109-Y113 WeakPolarHBondContact O-CB 3.42Å; F109-Y113 PolarHBondContact O-N 2.95Å; F109-K213 HydrophobicContact CE2-CG 4.29Å; F109-K213 HydrophobicContact CZ-CG 4.42Å; F109-L216 HydrophobicContact CE1-CB 3.99Å; F109-L216 HydrophobicContact CZ-CB 3.66Å; F109-L216 HydrophobicContact CZ-CD1 4.42Å; F109-H217 AromaticContact CD1-NE2 3.92Å; F109-H217 AromaticContact CE1-CD2 3.54Å; F109-H217 AromaticContact CE1-CG 3.87Å; F109-H217 AromaticContact CE1-NE2 3.65Å; F109-H217 AromaticContact CE2-NE2 3.94Å; F109-H217 AromaticContact CZ-CD2 3.43Å; F109-H217 VanDerWaalsContact CZ-CD2 3.43Å; F109-H217 WeakPolarHBondContact CZ-CD2 3.28Å; F109-H217 AromaticContact CZ-NE2 3.65Å
110Y89.9Confident87.4Confident92 Ų9252 Ų5236%0.36127%0.268SS..Hα-helixtrans-64-42172.7-88.9-74.5000112.2Y102 I106 R107 Y113 L114Y102-Y110 AromaticContact CD2-CD2 3.8Å; Y102-Y110 HydrophobicContact CD2-CD2 3.8Å; Y102-Y110 AromaticContact CD2-CE2 3.96Å; Y102-Y110 HydrophobicContact CD2-CE2 3.96Å; Y102-Y110 HydrophobicContact CD2-CG 4.44Å; Y102-Y110 AromaticContact CE2-CD2 4Å; Y102-Y110 HydrophobicContact CE2-CD2 4Å; Y102-Y110 AromaticContact CE2-CE2 3.87Å; Y102-Y110 HydrophobicContact CE2-CE2 3.87Å; Y102-Y110 HydrophobicContact CE2-CG 4.42Å; I106-Y110 HydrophobicContact CG2-CD2 3.45Å; I106-Y110 VanDerWaalsContact CG2-CD2 3.45Å; I106-Y110 HydrophobicContact CG2-CE2 3.33Å; I106-Y110 WeakPolarHBondContact O-CD2 3.28Å; I106-Y110 PolarHBondContact O-N 3.35Å; R107-Y110 PolarHBondContact O-N 3.15Å; Y110-Y113 PolarHBondContact O-N 2.93Å; Y110-L114 PolarHBondContact O-N 3.2Å
111Q87.9Confident87Confident13 Ų1356.2 Ų56.26%0.06129%0.292CS..Hα-helixtrans-63.9-45.2176.5-178174.8-18.700111V96 R107 T108 F109 Y113 L114 L115 F401V96-Q111 HydrophobicContact CG2-CG 4.29Å; R107-Q111 PolarHBondContact O-N 3.22Å; T108-Q111 PolarHBondContact O-N 3.18Å; F109-Q111 VanDerWaalsContact C-N 3.35Å; Q111-Y113 PolarHBondContact O-N 3.03Å; Q111-L114 PolarHBondContact O-N 2.99Å; Q111-L115 HydrophobicContact CG-CD1 4.44Å; Q111-L115 WeakPolarHBondContact O-CG 3.31Å; Q111-L115 PolarHBondContact O-N 3.48Å; Q111-L115 VanDerWaalsContact O-N 3.08Å; Q111-F401 VanDerWaalsContact NE2-CD2 3.31Å
112Q88.8Confident87Confident26 Ų2653.5 Ų53.512%0.12128%0.276CS..Hα-helixtrans-56.5-50.6174.1-172.767.520.200110.7T108 F109 L114 L115 T116 Y220 E224T108-Q112 PolarHBondContact O-N 2.7Å; F109-Q112 PolarHBondContact O-N 3.17Å; Q112-L114 VanDerWaalsContact C-N 3.32Å; Q112-L114 PolarHBondContact O-N 3.42Å; Q112-L115 WeakPolarHBondContact O-CB 3.4Å; Q112-L115 PolarHBondContact O-N 3.46Å; Q112-L115 VanDerWaalsContact O-N 3.11Å; Q112-T116 WeakPolarHBondContact O-CB 3.4Å; Q112-T116 PolarHBondContact O-N 2.81Å; Q112-T116 PolarHBondContact O-OG1 2.94Å; Q112-Y220 HydrophobicContact CB-CE1 4.45Å; Q112-Y220 HydrophobicContact CG-CD1 3.54Å; Q112-Y220 HydrophobicContact CG-CE1 3.45Å; Q112-Y220 VanDerWaalsContact CG-CE1 3.45Å; Q112-E224 PolarHBondContact NE2-OE2 2.96Å
113Y89.1Confident87Confident140 Ų14050.3 Ų50.355%0.54926%0.263SS..Hα-helixtrans-55.7-42.8177.3170.9-94.6000113.4F109 Y110 Q111 L115 T116 S117F109-Y113 WeakPolarHBondContact O-CB 3.42Å; F109-Y113 PolarHBondContact O-N 2.95Å; Y110-Y113 PolarHBondContact O-N 2.93Å; Q111-Y113 PolarHBondContact O-N 3.03Å; Y113-L115 VanDerWaalsContact C-N 3.34Å; Y113-L115 PolarHBondContact O-N 2.83Å; Y113-T116 PolarHBondContact O-N 2.74Å; Y113-S117 WeakPolarHBondContact O-CB 3.27Å; Y113-S117 PolarHBondContact O-N 2.91Å
114L86Confident86.9Confident41 Ų4150.9 Ų50.922%0.21526%0.26CS..Hα-helixtrans-62-43.5177.9-17668.4000111.3M92 D95 V96 Y110 Q111 Q112 A118M92-L114 HydrophobicContact CG-CD2 3.98Å; D95-L114 HydrophobicContact CB-CD2 3.82Å; V96-L114 HydrophobicContact CG2-CD2 3.85Å; Y110-L114 PolarHBondContact O-N 3.2Å; Q111-L114 PolarHBondContact O-N 2.99Å; Q112-L114 VanDerWaalsContact C-N 3.32Å; Q112-L114 PolarHBondContact O-N 3.42Å; L114-A118 PolarHBondContact O-N 3.42Å; L114-A118 VanDerWaalsContact O-N 3.15Å
115L83.5Confident87Confident28 Ų2850.4 Ų50.415%0.14726%0.256CS..Hα-helixtrans-64.5-47.5176.3-66.5175.8000111.4M92 Q111 Q112 Y113 S117 A118 L119 F398M92-L115 HydrophobicContact CE-CD2 4.36Å; M92-L115 HydrophobicContact SD-CD2 3.92Å; Q111-L115 HydrophobicContact CG-CD1 4.44Å; Q111-L115 WeakPolarHBondContact O-CG 3.31Å; Q111-L115 PolarHBondContact O-N 3.48Å; Q111-L115 VanDerWaalsContact O-N 3.08Å; Q112-L115 WeakPolarHBondContact O-CB 3.4Å; Q112-L115 PolarHBondContact O-N 3.46Å; Q112-L115 VanDerWaalsContact O-N 3.11Å; Y113-L115 VanDerWaalsContact C-N 3.34Å; Y113-L115 PolarHBondContact O-N 2.83Å; L115-S117 VanDerWaalsContact C-N 3.33Å; L115-S117 PolarHBondContact O-N 2.85Å; L115-A118 PolarHBondContact O-N 3.19Å; L115-L119 WeakPolarHBondContact O-CB 3.46Å; L115-L119 VanDerWaalsContact O-CG 3.3Å; L115-L119 WeakPolarHBondContact O-CG 3.38Å; L115-L119 PolarHBondContact O-N 3.3Å; L115-F398 HydrophobicContact CD1-CD1 4.32Å; L115-F398 HydrophobicContact CD2-CD1 3.37Å; L115-F398 HydrophobicContact CD2-CE1 3.28Å
116T85.1Confident86.9Confident5 Ų546 Ų463%0.03124%0.238CC..Hα-helixtrans-59.3-42.9177.7-59.50000112.1Q112 Y113 A118 L119 G120 E224 I228Q112-T116 WeakPolarHBondContact O-CB 3.4Å; Q112-T116 PolarHBondContact O-N 2.81Å; Q112-T116 PolarHBondContact O-OG1 2.94Å; Y113-T116 PolarHBondContact O-N 2.74Å; T116-A118 PolarHBondContact O-N 3.25Å; T116-L119 PolarHBondContact O-N 3.11Å; T116-G120 PolarHBondContact O-N 3.25Å; T116-E224 WeakPolarHBondContact CA-OE1 3.37Å; T116-E224 VanDerWaalsContact CB-OE1 3.24Å; T116-E224 WeakPolarHBondContact CB-OE1 3.29Å; T116-E224 HydrophobicContact CG2-CB 4.47Å; T116-E224 HydrophobicContact CG2-CG 3.81Å; T116-E224 WeakPolarHBondContact CG2-OE1 3.37Å; T116-E224 PolarHBondContact OG1-OE1 3.09Å; T116-E224 PolarHBondContact OG1-OE2 2.98Å; T116-E224 VanDerWaalsContact OG1-OE2 3.09Å; T116-I228 HydrophobicContact CG2-CD1 3.37Å; T116-I228 HydrophobicContact CG2-CG2 4.35Å
117S83.6Confident87Confident61 Ų6142.9 Ų42.943%0.42722%0.223SC..Hα-helixtrans-62.8-43.4177.4-172.50000111.6Y113 L115Y113-S117 WeakPolarHBondContact O-CB 3.27Å; Y113-S117 PolarHBondContact O-N 2.91Å; L115-S117 VanDerWaalsContact C-N 3.33Å; L115-S117 PolarHBondContact O-N 2.85Å
118A80.1Confident87Confident32 Ų3247.4 Ų47.426%0.26424%0.243SC..Hα-helixtrans-64.9-42.5176.300000112.4F88 M92 L114 L115 T116 G122F88-A118 HydrophobicContact CE2-CB 4.46Å; F88-A118 HydrophobicContact CZ-CB 3.76Å; M92-A118 HydrophobicContact CE-CB 4Å; L114-A118 PolarHBondContact O-N 3.42Å; L114-A118 VanDerWaalsContact O-N 3.15Å; L115-A118 PolarHBondContact O-N 3.19Å; T116-A118 PolarHBondContact O-N 3.25Å; A118-G122 PolarHBondContact O-N 2.95Å
119L78.3Confident86.9Confident70 Ų7047.4 Ų47.437%0.36624%0.243SC..Hα-helixtrans-70.8-32.5-179.9-70.5174.5000112.3L115 T116 D121 G122 H123L115-L119 WeakPolarHBondContact O-CB 3.46Å; L115-L119 VanDerWaalsContact O-CG 3.3Å; L115-L119 WeakPolarHBondContact O-CG 3.38Å; L115-L119 PolarHBondContact O-N 3.3Å; T116-L119 PolarHBondContact O-N 3.11Å; L119-D121 PolarHBondContact O-N 2.88Å; L119-G122 CarbonylContact O-C 3.53Å; L119-G122 WeakPolarHBondContact O-CA 3.32Å; L119-G122 PolarHBondContact O-N 3.5Å; L119-H123 WeakPolarHBondContact O-CB 3.32Å; L119-H123 PolarHBondContact O-CD2 2.89Å; L119-H123 PolarHBondContact O-N 3.46Å
120G81.3Confident87Confident15 Ų1545.4 Ų45.416%0.15524%0.235CC..Hα-helixtrans-55.7-51.9177.900000112.9T116 G122 H123 M124T116-G120 PolarHBondContact O-N 3.25Å; G120-G122 VanDerWaalsContact C-N 3.34Å; G120-H123 PolarHBondContact O-N 2.9Å; G120-M124 PolarHBondContact O-N 3.3Å
121D80.4Confident87.2Confident112 Ų11241.3 Ų41.360%0.59922%0.221SC*.Hα-helixtrans-64.4-41.1175.2-70.2-23.5000111.3L119 H123 M124 I125L119-D121 PolarHBondContact O-N 2.88Å; D121-H123 VanDerWaalsContact C-N 3.34Å; D121-H123 PolarHBondContact O-N 3.39Å; D121-M124 PolarHBondContact O-N 3.48Å; D121-I125 WeakPolarHBondContact O-CG1 3.37Å; D121-I125 PolarHBondContact O-N 3.18Å
122G85.4Confident87.5Confident17 Ų1745.4 Ų45.418%0.17524%0.239CC..Hα-helixtrans-58-41.917600000113.2A118 L119 G120 M124 I125 L126A118-G122 PolarHBondContact O-N 2.95Å; L119-G122 CarbonylContact O-C 3.53Å; L119-G122 WeakPolarHBondContact O-CA 3.32Å; L119-G122 PolarHBondContact O-N 3.5Å; G120-G122 VanDerWaalsContact C-N 3.34Å; G122-M124 PolarHBondContact O-N 3.27Å; G122-I125 WeakPolarHBondContact O-CB 3.38Å; G122-I125 PolarHBondContact O-N 3.49Å; G122-I125 VanDerWaalsContact O-N 3.14Å; G122-L126 WeakPolarHBondContact O-CB 3.48Å; G122-L126 WeakPolarHBondContact O-CD1 3.25Å; G122-L126 VanDerWaalsContact O-CG 3.25Å; G122-L126 WeakPolarHBondContact O-CG 3.48Å; G122-L126 PolarHBondContact O-N 2.79Å
123H89.6Confident87.8Confident2 Ų244.3 Ų44.31%0.00923%0.234CC..Hα-helixtrans-66.3-36.2179.7-81.5-61.2000112.7L119 G120 D121 I125 L126 A127 N179 A232 Y233L119-H123 WeakPolarHBondContact O-CB 3.32Å; L119-H123 PolarHBondContact O-CD2 2.89Å; L119-H123 PolarHBondContact O-N 3.46Å; G120-H123 PolarHBondContact O-N 2.9Å; D121-H123 VanDerWaalsContact C-N 3.34Å; D121-H123 PolarHBondContact O-N 3.39Å; H123-I125 VanDerWaalsContact C-N 3.34Å; H123-L126 PolarHBondContact O-N 3.42Å; H123-A127 WeakPolarHBondContact O-CB 3.42Å; H123-A127 PolarHBondContact O-N 2.9Å; H123-N179 WeakPolarHBondContact CE1-CB 3.23Å; H123-A232 HydrophobicContact CB-CB 4.1Å; H123-Y233 HydrophobicContact CB-CE2 3.92Å; H123-Y233 AromaticContact ND1-CE2 3.56Å; H123-Y233 AromaticContact ND1-CZ 3.62Å; H123-Y233 PolarHBondContact ND1-OH 3.4Å; H123-Y233 PolarHBondContact O-OH 2.9Å
124M88.8Confident88.1Confident94 Ų9438.2 Ų38.246%0.46321%0.211SC..Hα-helixtrans-63.5-40.9171.4-70.9-175.952.300112.1G120 D121 G122 K128 A232G120-M124 PolarHBondContact O-N 3.3Å; D121-M124 PolarHBondContact O-N 3.48Å; G122-M124 PolarHBondContact O-N 3.27Å; M124-K128 WeakPolarHBondContact O-CG 3.41Å; M124-K128 PolarHBondContact O-N 3.25Å; M124-K128 VanDerWaalsContact O-N 3.14Å; M124-A232 HydrophobicContact CG-CB 4.12Å
125I88.2Confident88.6Confident62 Ų6241.1 Ų41.132%0.31822%0.223SC..Hα-helixtrans-64.9-43.7176.9-69.4172.2000110.6L80 E81 D121 G122 H123 K128 S129L80-I125 HydrophobicContact CB-CG2 3.42Å; L80-I125 VanDerWaalsContact CB-CG2 3.42Å; E81-I125 HydrophobicContact CG-CG2 4.07Å; D121-I125 WeakPolarHBondContact O-CG1 3.37Å; D121-I125 PolarHBondContact O-N 3.18Å; G122-I125 WeakPolarHBondContact O-CB 3.38Å; G122-I125 PolarHBondContact O-N 3.49Å; G122-I125 VanDerWaalsContact O-N 3.14Å; H123-I125 VanDerWaalsContact C-N 3.34Å; I125-K128 PolarHBondContact O-N 3.27Å; I125-S129 WeakPolarHBondContact O-CB 3.48Å; I125-S129 PolarHBondContact O-N 3.08Å; I125-S129 PolarHBondContact O-OG 2.82Å
126L90.2Very high89.2Confident5 Ų542.9 Ų42.93%0.02623%0.233CC..Hα-helixtrans-65.9-42.4178.1-74.7159.8000112.1E81 G122 H123 K128 S129 A130 L157 V159 Y233E81-L126 HydrophobicContact CG-CD2 4.34Å; E81-L126 VanDerWaalsContact OE1-CD2 3.28Å; E81-L126 WeakPolarHBondContact OE1-CD2 3.34Å; E81-L126 WeakPolarHBondContact OE1-CG 3.38Å; G122-L126 WeakPolarHBondContact O-CB 3.48Å; G122-L126 WeakPolarHBondContact O-CD1 3.25Å; G122-L126 VanDerWaalsContact O-CG 3.25Å; G122-L126 WeakPolarHBondContact O-CG 3.48Å; G122-L126 PolarHBondContact O-N 2.79Å; H123-L126 PolarHBondContact O-N 3.42Å; L126-K128 PolarHBondContact O-N 2.96Å; L126-S129 PolarHBondContact O-N 2.87Å; L126-A130 WeakPolarHBondContact O-CB 3.21Å; L126-A130 PolarHBondContact O-N 2.96Å; L126-L157 HydrophobicContact CD1-CD2 3.81Å; L126-L157 HydrophobicContact CD2-CB 4.19Å; L126-L157 HydrophobicContact CD2-CD1 4.32Å; L126-L157 HydrophobicContact CD2-CD2 4.42Å; L126-V159 HydrophobicContact CD2-CG2 3.79Å; L126-Y233 WeakPolarHBondContact CB-OH 3.3Å
127A92.7Very high89.7Confident9 Ų948.1 Ų48.17%0.07426%0.264CS..Hα-helixtrans-60.7-45175.500000111.6H123 A130 G131 A232 Y233H123-A127 WeakPolarHBondContact O-CB 3.42Å; H123-A127 PolarHBondContact O-N 2.9Å; A127-A130 PolarHBondContact O-N 2.93Å; A127-G131 PolarHBondContact O-N 2.93Å; A127-A232 WeakPolarHBondContact CB-O 3.47Å; A127-Y233 HydrophobicContact CB-CD1 3.62Å; A127-Y233 HydrophobicContact CB-CE1 3.6Å; A127-Y233 HydrophobicContact CB-CG 4.26Å
128K91.9Very high90.3Very high125 Ų12550.8 Ų50.854%0.54328%0.278SS..Hα-helixtrans-63.2-40.7174.3-71.9173.7-176.2174.90112.2L80 M124 I125 L126 G131 K132L80-K128 HydrophobicContact CD1-CB 3.76Å; M124-K128 WeakPolarHBondContact O-CG 3.41Å; M124-K128 PolarHBondContact O-N 3.25Å; M124-K128 VanDerWaalsContact O-N 3.14Å; I125-K128 PolarHBondContact O-N 3.27Å; L126-K128 PolarHBondContact O-N 2.96Å; K128-G131 PolarHBondContact O-N 3.49Å; K128-K132 PolarHBondContact O-N 3.4Å
129S91.4Very high91.1Very high1 Ų149.8 Ų49.81%0.00727%0.268CS..Hα-helixtrans-64.2-45.4177.7-58.70000111.3L80 I125 L126 G131 K132 I133L80-S129 WeakPolarHBondContact CB-OG 3.45Å; L80-S129 PolarHBondContact N-OG 3.49Å; I125-S129 WeakPolarHBondContact O-CB 3.48Å; I125-S129 PolarHBondContact O-N 3.08Å; I125-S129 PolarHBondContact O-OG 2.82Å; L126-S129 PolarHBondContact O-N 2.87Å; S129-G131 VanDerWaalsContact C-N 3.33Å; S129-G131 PolarHBondContact O-N 3.28Å; S129-K132 PolarHBondContact O-N 3.17Å; S129-I133 WeakPolarHBondContact O-CG1 3.41Å; S129-I133 PolarHBondContact O-N 3.06Å
130A94.4Very high92Very high3 Ų346.9 Ų46.93%0.02525%0.253CS..Hα-helixtrans-59.3-44.4173.500000111.3L126 A127 K132 I133 L134 I162 L236L126-A130 WeakPolarHBondContact O-CB 3.21Å; L126-A130 PolarHBondContact O-N 2.96Å; A127-A130 PolarHBondContact O-N 2.93Å; A130-K132 PolarHBondContact O-N 3.16Å; A130-I133 PolarHBondContact O-N 2.95Å; A130-L134 WeakPolarHBondContact O-CG 3.44Å; A130-L134 PolarHBondContact O-N 2.88Å; A130-I162 HydrophobicContact CB-CD1 4.01Å; A130-I162 HydrophobicContact CB-CG2 4.31Å; A130-L236 HydrophobicContact CB-CD2 3.85Å
131G94.9Very high92.7Very high7 Ų752.5 Ų52.57%0.07227%0.273CS..Hα-helixtrans-55.5-47.7174.100000113.1A127 K128 S129 I133 L134 E135 L236A127-G131 PolarHBondContact O-N 2.93Å; K128-G131 PolarHBondContact O-N 3.49Å; S129-G131 VanDerWaalsContact C-N 3.33Å; S129-G131 PolarHBondContact O-N 3.28Å; G131-I133 VanDerWaalsContact C-N 3.34Å; G131-I133 PolarHBondContact O-N 3.12Å; G131-L134 PolarHBondContact O-N 3.23Å; G131-E135 WeakPolarHBondContact O-CB 3.43Å; G131-E135 VanDerWaalsContact O-CG 3.26Å; G131-E135 WeakPolarHBondContact O-CG 3.43Å; G131-E135 PolarHBondContact O-N 2.95Å; G131-L236 VanDerWaalsContact CA-CD1 3.42Å
132K93.8Very high93.5Very high99 Ų9953.1 Ų53.143%0.4327%0.267SS..Hα-helixtrans-61.4-38.9177.2-74.3-176.6177-176.20113.1P78 K128 S129 A130 E135 D136P78-K132 HydrophobicContact CG-CB 4.47Å; K128-K132 PolarHBondContact O-N 3.4Å; S129-K132 PolarHBondContact O-N 3.17Å; A130-K132 PolarHBondContact O-N 3.16Å; K132-E135 PolarHBondContact O-N 2.71Å; K132-D136 PolarHBondContact O-N 3.34Å
133I94.8Very high94.1Very high3 Ų352.5 Ų52.52%0.01526%0.259CS..Hα-helixtrans-62.7-47.5175.5-67.1166.3000110.3V77 M79 S129 A130 G131 E135 D136 L139 M140 V159 L163V77-I133 HydrophobicContact CB-CD1 4.42Å; V77-I133 HydrophobicContact CB-CG1 4.32Å; M79-I133 HydrophobicContact CE-CD1 3.34Å; M79-I133 HydrophobicContact CE-CG1 4.02Å; S129-I133 WeakPolarHBondContact O-CG1 3.41Å; S129-I133 PolarHBondContact O-N 3.06Å; A130-I133 PolarHBondContact O-N 2.95Å; G131-I133 VanDerWaalsContact C-N 3.34Å; G131-I133 PolarHBondContact O-N 3.12Å; I133-E135 VanDerWaalsContact C-N 3.26Å; I133-E135 PolarHBondContact O-N 2.86Å; I133-D136 PolarHBondContact O-N 2.96Å; I133-L139 HydrophobicContact CG2-CD2 3.98Å; I133-M140 HydrophobicContact CG2-SD 4.4Å; I133-V159 HydrophobicContact CD1-CG1 3.54Å; I133-L163 HydrophobicContact CG2-CD1 4.25Å
134L95.8Very high94.4Very high12 Ų1257.6 Ų57.66%0.06328%0.279CS..Hα-helixtrans-67.2-27.8-179-63.3-176.3000112.6A130 G131 M140 I162 L163 Y166 L236 Y240 F241A130-L134 WeakPolarHBondContact O-CG 3.44Å; A130-L134 PolarHBondContact O-N 2.88Å; G131-L134 PolarHBondContact O-N 3.23Å; L134-M140 HydrophobicContact CD2-CE 4.13Å; L134-M140 HydrophobicContact CD2-SD 4.24Å; L134-I162 HydrophobicContact CD1-CG2 4.28Å; L134-L163 HydrophobicContact CD2-CD1 4.1Å; L134-Y166 HydrophobicContact CD1-CD2 3.96Å; L134-Y166 HydrophobicContact CD1-CE2 4.36Å; L134-Y166 HydrophobicContact CD1-CG 4.36Å; L134-Y166 HydrophobicContact CD2-CD1 3.72Å; L134-Y166 HydrophobicContact CD2-CD2 3.97Å; L134-Y166 HydrophobicContact CD2-CE1 4.21Å; L134-Y166 HydrophobicContact CD2-CE2 4.42Å; L134-Y166 HydrophobicContact CD2-CG 3.58Å; L134-L236 HydrophobicContact CD1-CD1 4.46Å; L134-Y240 HydrophobicContact CB-CE2 4.46Å; L134-Y240 HydrophobicContact CD1-CD2 3.85Å; L134-Y240 HydrophobicContact CD1-CE2 4.41Å; L134-Y240 HydrophobicContact CD1-CG 3.91Å; L134-F241 HydrophobicContact CD1-CE2 4.45Å
135E95.7Very high94.8Very high101 Ų10157.9 Ų57.947%0.47228%0.282SS..Hα-helixtrans-80.5-17.8176.8-72.2172.2-179.400113.6G131 K132 I133 V137 K239 Y240G131-E135 WeakPolarHBondContact O-CB 3.43Å; G131-E135 VanDerWaalsContact O-CG 3.26Å; G131-E135 WeakPolarHBondContact O-CG 3.43Å; G131-E135 PolarHBondContact O-N 2.95Å; K132-E135 PolarHBondContact O-N 2.71Å; I133-E135 VanDerWaalsContact C-N 3.26Å; I133-E135 PolarHBondContact O-N 2.86Å; E135-V137 PolarHBondContact O-N 2.98Å; E135-K239 IonicContact OE1-NZ 2.73Å; E135-K239 PolarHBondContact OE1-NZ 3.33Å; E135-Y240 WeakPolarHBondContact CG-OH 3.39Å; E135-Y240 PolarHBondContact OE1-OH 2.76Å
136D95.9Very high95.2Very high65 Ų6556.7 Ų56.735%0.34828%0.278SS..  trans-74.791.1176.2-173.3-22.9000110.6K132 I133 V138 L139 M140K132-D136 PolarHBondContact O-N 3.34Å; I133-D136 PolarHBondContact O-N 2.96Å; D136-V138 PolarHBondContact O-N 3.38Å; D136-V138 PolarHBondContact OD1-N 3.49Å; D136-V138 VanDerWaalsContact OD1-N 3.08Å; D136-L139 HydrophobicContact CB-CB 3.85Å; D136-L139 HydrophobicContact CB-CD2 4.48Å; D136-L139 PolarHBondContact O-N 3.25Å; D136-L139 PolarHBondContact OD1-N 3.07Å; D136-M140 WeakPolarHBondContact O-CB 3.41Å; D136-M140 VanDerWaalsContact O-CG 3.31Å; D136-M140 WeakPolarHBondContact O-CG 3.41Å; D136-M140 PolarHBondContact O-N 2.9Å
137V95.9Very high95.5Very high115 Ų11562.9 Ų62.970%0.69730%0.304SS*.Hα-helixtrans-57.2-34.9-178.7-178.70000112.4E135 K141E135-V137 PolarHBondContact O-N 2.98Å; V137-K141 WeakPolarHBondContact O-CB 3.45Å; V137-K141 PolarHBondContact O-N 3.34Å
138V96.9Very high95.8Very high117 Ų11763 Ų6371%0.70930%0.304SS*.Hα-helixtrans-72.6-47.3-178.1178.30000109.9D136 R142D136-V138 PolarHBondContact O-N 3.38Å; D136-V138 PolarHBondContact OD1-N 3.49Å; D136-V138 VanDerWaalsContact OD1-N 3.08Å; V138-R142 WeakPolarHBondContact O-CB 3.49Å; V138-R142 PolarHBondContact O-N 2.76Å
139L96.2Very high96.1Very high11 Ų1160.5 Ų60.56%0.05830%0.296CS..Hα-helixtrans-60.5-51.8175175.860.8000110.9I75 V77 I133 D136 K141 R142 L143I75-L139 HydrophobicContact CG2-CD1 3.71Å; V77-L139 HydrophobicContact CG1-CD2 3.76Å; I133-L139 HydrophobicContact CG2-CD2 3.98Å; D136-L139 HydrophobicContact CB-CB 3.85Å; D136-L139 HydrophobicContact CB-CD2 4.48Å; D136-L139 PolarHBondContact O-N 3.25Å; D136-L139 PolarHBondContact OD1-N 3.07Å; L139-K141 VanDerWaalsContact C-N 3.34Å; L139-K141 PolarHBondContact O-N 3.43Å; L139-R142 WeakPolarHBondContact O-CA 3.33Å; L139-R142 WeakPolarHBondContact O-CB 3.47Å; L139-R142 PolarHBondContact O-N 3.06Å; L139-R142 VanDerWaalsContact O-N 3.08Å; L139-L143 HydrophobicContact CD1-CD1 4.33Å; L139-L143 HydrophobicContact CD1-CD2 4.44Å; L139-L143 HydrophobicContact CD1-CG 4.21Å; L139-L143 HydrophobicContact CG-CD1 4.25Å; L139-L143 HydrophobicContact CG-CG 4.48Å; L139-L143 WeakPolarHBondContact O-CG 3.29Å; L139-L143 PolarHBondContact O-N 3.37Å
140M97.1Very high96.4Very high10 Ų1060.4 Ų60.45%0.04930%0.295CS..Hα-helixtrans-60-45.2-178.3-69.5-51.4-62.800111.2I133 L134 D136 R142 L143 W144 L163 Y166 L167I133-M140 HydrophobicContact CG2-SD 4.4Å; L134-M140 HydrophobicContact CD2-CE 4.13Å; L134-M140 HydrophobicContact CD2-SD 4.24Å; D136-M140 WeakPolarHBondContact O-CB 3.41Å; D136-M140 VanDerWaalsContact O-CG 3.31Å; D136-M140 WeakPolarHBondContact O-CG 3.41Å; D136-M140 PolarHBondContact O-N 2.9Å; M140-R142 VanDerWaalsContact C-N 3.33Å; M140-R142 PolarHBondContact O-N 3.35Å; M140-L143 PolarHBondContact O-N 3.34Å; M140-L143 VanDerWaalsContact O-N 3.15Å; M140-L143 HydrophobicContact SD-CD1 4.13Å; M140-W144 PolarHBondContact O-N 2.79Å; M140-L163 HydrophobicContact CE-CD1 4.04Å; M140-L163 HydrophobicContact SD-CD1 4.01Å; M140-Y166 HydrophobicContact CE-CD1 3.44Å; M140-Y166 VanDerWaalsContact CE-CD1 3.44Å; M140-Y166 HydrophobicContact CE-CE1 3.5Å; M140-Y166 VanDerWaalsContact CE-CE1 3.5Å; M140-L167 HydrophobicContact CE-CD2 3.62Å; M140-L167 HydrophobicContact CE-CG 4.37Å
141K96.9Very high96.6Very high133 Ų13360.3 Ų60.358%0.57829%0.294SS*.Hα-helixtrans-57.2-45.8174.2-177.1178.2179.2-173.50111.6V137 L139 L143 W144 D145V137-K141 WeakPolarHBondContact O-CB 3.45Å; V137-K141 PolarHBondContact O-N 3.34Å; L139-K141 VanDerWaalsContact C-N 3.34Å; L139-K141 PolarHBondContact O-N 3.43Å; K141-L143 VanDerWaalsContact C-N 3.32Å; K141-L143 PolarHBondContact O-N 2.92Å; K141-W144 PolarHBondContact O-N 2.97Å; K141-D145 WeakPolarHBondContact CE-OD2 3.25Å; K141-D145 WeakPolarHBondContact CG-OD2 3.45Å; K141-D145 WeakPolarHBondContact O-CB 3.39Å; K141-D145 VanDerWaalsContact O-CG 3.3Å; K141-D145 PolarHBondContact O-N 2.8Å
142R97Very high96.7Very high124 Ų12460 Ų6047%0.46829%0.291SS..Hα-helixtrans-58-43.5176.1-179.5-179.3178.1-177.1-1.1111.8V138 L139 M140 D145 T146V138-R142 WeakPolarHBondContact O-CB 3.49Å; V138-R142 PolarHBondContact O-N 2.76Å; L139-R142 WeakPolarHBondContact O-CA 3.33Å; L139-R142 WeakPolarHBondContact O-CB 3.47Å; L139-R142 PolarHBondContact O-N 3.06Å; L139-R142 VanDerWaalsContact O-N 3.08Å; M140-R142 VanDerWaalsContact C-N 3.33Å; M140-R142 PolarHBondContact O-N 3.35Å; R142-D145 PolarHBondContact O-N 3.33Å; R142-T146 WeakPolarHBondContact O-CB 3.33Å; R142-T146 PolarHBondContact O-N 3Å; R142-T146 PolarHBondContact O-OG1 3.47Å
143L97.3Very high96.9Very high4 Ų455.3 Ų55.32%0.02127%0.271CS..Hα-helixtrans-64.2-43.8178.2-63179.4000111.6L28 L57 I75 L139 M140 K141 T146 F148 L163 L167L28-L143 HydrophobicContact CD1-CD2 4.16Å; L28-L143 HydrophobicContact CD2-CD2 4.42Å; L57-L143 HydrophobicContact CD2-CD2 4.43Å; I75-L143 HydrophobicContact CD1-CD2 4.38Å; L139-L143 HydrophobicContact CD1-CD1 4.33Å; L139-L143 HydrophobicContact CD1-CD2 4.44Å; L139-L143 HydrophobicContact CD1-CG 4.21Å; L139-L143 HydrophobicContact CG-CD1 4.25Å; L139-L143 HydrophobicContact CG-CG 4.48Å; L139-L143 WeakPolarHBondContact O-CG 3.29Å; L139-L143 PolarHBondContact O-N 3.37Å; M140-L143 PolarHBondContact O-N 3.34Å; M140-L143 VanDerWaalsContact O-N 3.15Å; M140-L143 HydrophobicContact SD-CD1 4.13Å; K141-L143 VanDerWaalsContact C-N 3.32Å; K141-L143 PolarHBondContact O-N 2.92Å; L143-T146 PolarHBondContact O-N 3.02Å; L143-F148 HydrophobicContact CD2-CE2 3.83Å; L143-L163 HydrophobicContact CD1-CD1 4.21Å; L143-L163 HydrophobicContact CD1-CD2 4.18Å; L143-L167 HydrophobicContact CB-CD1 4.4Å; L143-L167 HydrophobicContact CB-CD2 4.34Å; L143-L167 HydrophobicContact CD1-CD1 4.34Å
144W96.9Very high97Very high109 Ų10955.2 Ų55.241%0.41327%0.27SS..Hα-helixtrans-64.8-40.3176.2-76112.1000113.5M140 K141 T146 K147 L167M140-W144 PolarHBondContact O-N 2.79Å; K141-W144 PolarHBondContact O-N 2.97Å; W144-T146 VanDerWaalsContact C-N 3.32Å; W144-K147 VanDerWaalsContact O-CD 3.29Å; W144-K147 WeakPolarHBondContact O-CD 3.3Å; W144-K147 VanDerWaalsContact O-CE 3.29Å; W144-K147 WeakPolarHBondContact O-CE 3.27Å; W144-K147 PolarHBondContact O-NZ 2.73Å; W144-L167 HydrophobicContact CD2-CD2 4.05Å; W144-L167 HydrophobicContact CG-CD2 4.42Å; W144-L167 WeakPolarHBondContact CH2-O 3.15Å; W144-L167 HydrophobicContact CZ2-CD2 3.92Å
145D97.1Very high96.9Very high101 Ų10154.6 Ų54.654%0.5427%0.267SS..Hα-helixtrans-74.6-25.4-178.3-72.5-15.1000111.9K141 R142 K147K141-D145 WeakPolarHBondContact CE-OD2 3.25Å; K141-D145 WeakPolarHBondContact CG-OD2 3.45Å; K141-D145 WeakPolarHBondContact O-CB 3.39Å; K141-D145 VanDerWaalsContact O-CG 3.3Å; K141-D145 PolarHBondContact O-N 2.8Å; R142-D145 PolarHBondContact O-N 3.33Å; D145-K147 VanDerWaalsContact C-N 3.27Å; D145-K147 PolarHBondContact O-N 2.9Å
146T96.8Very high96.8Very high37 Ų3750.6 Ų50.623%0.22725%0.251CS..Hα-helixtrans-67.9-27.7178.2-59.20000112.5K26 R142 L143 W144 F148K26-T146 HydrophobicContact CD-CG2 4.03Å; K26-T146 VanDerWaalsContact CD-O 3.24Å; K26-T146 WeakPolarHBondContact CD-O 3.3Å; K26-T146 PolarHBondContact NZ-O 2.61Å; R142-T146 WeakPolarHBondContact O-CB 3.33Å; R142-T146 PolarHBondContact O-N 3Å; R142-T146 PolarHBondContact O-OG1 3.47Å; L143-T146 PolarHBondContact O-N 3.02Å; W144-T146 VanDerWaalsContact C-N 3.32Å; T146-F148 HydrophobicContact CG2-CD1 4.21Å; T146-F148 HydrophobicContact CG2-CD2 4.13Å; T146-F148 HydrophobicContact CG2-CE1 3.74Å; T146-F148 HydrophobicContact CG2-CE2 3.64Å; T146-F148 HydrophobicContact CG2-CG 4.39Å; T146-F148 HydrophobicContact CG2-CZ 3.43Å; T146-F148 VanDerWaalsContact CG2-CZ 3.43Å
147K96.1Very high96.5Very high134 Ų13449.3 Ų49.358%0.58324%0.244SC*.THydrogen-bonded Turntrans55.864.1-177.3-53.5-62.1174.5-151.20111.9W144 D145W144-K147 VanDerWaalsContact O-CD 3.29Å; W144-K147 WeakPolarHBondContact O-CD 3.3Å; W144-K147 VanDerWaalsContact O-CE 3.29Å; W144-K147 WeakPolarHBondContact O-CE 3.27Å; W144-K147 PolarHBondContact O-NZ 2.73Å; D145-K147 VanDerWaalsContact C-N 3.27Å; D145-K147 PolarHBondContact O-N 2.9Å
148F98.2Very high96.3Very high13 Ų1343.9 Ų43.96%0.05721%0.211CC..  trans-64.4146.6172.2-67.3-74.8000111.2K26 L28 T55 L143 T146 L169K26-F148 HydrophobicContact CB-CD1 3.86Å; K26-F148 HydrophobicContact CB-CE1 4.42Å; L28-F148 HydrophobicContact CB-CB 4.26Å; L28-F148 HydrophobicContact CB-CD1 3.78Å; L28-F148 HydrophobicContact CB-CD2 4.01Å; L28-F148 HydrophobicContact CB-CE1 4.07Å; L28-F148 HydrophobicContact CB-CE2 4.28Å; L28-F148 HydrophobicContact CB-CG 3.75Å; L28-F148 HydrophobicContact CB-CZ 4.3Å; L28-F148 HydrophobicContact CD1-CE1 4.45Å; L28-F148 HydrophobicContact CD1-CE2 4.09Å; L28-F148 HydrophobicContact CD1-CZ 4.01Å; L28-F148 HydrophobicContact CD2-CD2 4.33Å; L28-F148 HydrophobicContact CD2-CE2 4.46Å; T55-F148 HydrophobicContact CG2-CE1 4.46Å; T55-F148 HydrophobicContact CG2-CZ 3.98Å; L143-F148 HydrophobicContact CD2-CE2 3.83Å; T146-F148 HydrophobicContact CG2-CD1 4.21Å; T146-F148 HydrophobicContact CG2-CD2 4.13Å; T146-F148 HydrophobicContact CG2-CE1 3.74Å; T146-F148 HydrophobicContact CG2-CE2 3.64Å; T146-F148 HydrophobicContact CG2-CG 4.39Å; T146-F148 HydrophobicContact CG2-CZ 3.43Å; T146-F148 VanDerWaalsContact CG2-CZ 3.43Å; F148-L169 HydrophobicContact CB-CD1 3.87Å; F148-L169 WeakPolarHBondContact O-CD2 3.09Å
149D98.1Very high96.2Very high71 Ų7138.9 Ų38.938%0.3818%0.181SC..SBendtrans-90.7-24.4179.2-61.2-68.6000112.3S25 K26S25-D149 VanDerWaalsContact CA-OD2 3.28Å; S25-D149 WeakPolarHBondContact CA-OD2 3.47Å; S25-D149 WeakPolarHBondContact CB-OD2 3.44Å; K26-D149 PolarHBondContact N-OD2 3.08Å; K26-D149 PolarHBondContact O-N 3.37Å
150L97.8Very high96.1Very high0 Ų038.4 Ų38.40%018%0.179CC..EExtended strand (participates in β ladder)trans-158.5147-172.1170.769.4000110.7L28 P170 V172 I465 V468 I469L28-L150 PolarHBondContact N-O 2.67Å; L150-P170 HydrophobicContact CD1-CB 4.1Å; L150-P170 WeakPolarHBondContact CD1-O 3.3Å; L150-V172 HydrophobicContact CD1-CB 4.08Å; L150-V172 HydrophobicContact CD1-CG2 3.57Å; L150-V172 HydrophobicContact CD2-CB 4.34Å; L150-V172 HydrophobicContact CD2-CG2 3.96Å; L150-V172 HydrophobicContact CG-CG2 4.4Å; L150-I465 HydrophobicContact CD2-CG2 3.68Å; L150-V468 HydrophobicContact CD1-CG1 3.78Å; L150-I469 HydrophobicContact CB-CG1 4Å; L150-I469 HydrophobicContact CD2-CD1 4.12Å; L150-I469 HydrophobicContact CD2-CG1 4.01Å
151V98.6Very high96.1Very high0 Ų038 Ų380%018%0.176CC..EExtended strand (participates in β ladder)trans-99.9123159.2179.10000110L28 V30 T153 L169 P170 M171 V172L28-V151 HydrophobicContact CB-CG2 4.25Å; L28-V151 HydrophobicContact CD2-CG2 4.14Å; L28-V151 CarbonylContact O-C 3.54Å; L28-V151 VanDerWaalsContact O-CA 3.31Å; L28-V151 WeakPolarHBondContact O-CA 3.29Å; V30-V151 HydrophobicContact CG2-CG1 4.48Å; V151-T153 HydrophobicContact CG1-CG2 4.34Å; V151-L169 HydrophobicContact CG2-CB 3.85Å; V151-L169 HydrophobicContact CG2-CD1 3.61Å; V151-L169 HydrophobicContact CG2-CG 4.37Å; V151-P170 PolarHBondContact N-O 3.05Å; V151-M171 HydrophobicContact CB-CG 4.26Å; V151-M171 WeakPolarHBondContact O-CA 3.21Å; V151-V172 PolarHBondContact O-N 2.89Å
152L98.7Very high96.1Very high0 Ų031.7 Ų31.70%015%0.149CC..EExtended strand (participates in β ladder)trans-104112.9168.3178.965.3000108.1I27 L28 V29 V30 M40 I43 L44 L47 V172 I465I27-L152 HydrophobicContact CG2-CB 3.89Å; L28-L152 PolarHBondContact O-N 3.41Å; V29-L152 VanDerWaalsContact CA-O 3.29Å; V29-L152 WeakPolarHBondContact CA-O 3.44Å; V29-L152 HydrophobicContact CG2-CB 4.38Å; V30-L152 PolarHBondContact N-O 3.02Å; V30-L152 VanDerWaalsContact N-O 3.12Å; M40-L152 HydrophobicContact CE-CB 4.38Å; M40-L152 HydrophobicContact CE-CD2 4.13Å; M40-L152 HydrophobicContact CE-CG 3.64Å; M40-L152 VanDerWaalsContact CE-O 3.23Å; M40-L152 WeakPolarHBondContact CE-O 3.38Å; I43-L152 HydrophobicContact CG2-CD2 4.17Å; L44-L152 HydrophobicContact CD2-CD2 3.86Å; L47-L152 HydrophobicContact CD1-CD2 4.04Å; L152-V172 WeakPolarHBondContact CA-O 3.43Å; L152-V172 HydrophobicContact CD1-CB 4.04Å; L152-V172 HydrophobicContact CD1-CG1 3.81Å; L152-I465 HydrophobicContact CD1-CD1 4.22Å; L152-I465 HydrophobicContact CD1-CG1 4.49Å; L152-I465 HydrophobicContact CD2-CD1 4.32Å
153T97.7Very high96.1Very high1 Ų125.9 Ų25.91%0.00613%0.128CC..EExtended strand (participates in β ladder)trans-132.3154-174.2-1730000112.5V30 V151 G160 V172 Y173 N174V30-T153 VanDerWaalsContact O-CA 3.28Å; V30-T153 WeakPolarHBondContact O-CA 3.44Å; V30-T153 PolarHBondContact O-OG1 3.18Å; V151-T153 HydrophobicContact CG1-CG2 4.34Å; T153-G160 WeakPolarHBondContact OG1-CA 3.46Å; T153-V172 PolarHBondContact N-O 2.84Å; T153-Y173 HydrophobicContact CG2-CD1 3.38Å; T153-Y173 HydrophobicContact CG2-CE1 3.44Å; T153-Y173 VanDerWaalsContact CG2-CE1 3.44Å; T153-Y173 CarbonylContact O-C 3.56Å; T153-Y173 VanDerWaalsContact O-CA 3.29Å; T153-Y173 WeakPolarHBondContact O-CA 3.25Å; T153-N174 PolarHBondContact O-N 2.84Å
154D95.8Very high96.1Very high1 Ų125.7 Ų25.71%0.00513%0.127CC..  trans-95116.2164-170.4-40.5000108.2V30 V32 H36 A156 R260V30-D154 PolarHBondContact O-N 3.34Å; V32-D154 HydrophobicContact CB-CB 4.35Å; V32-D154 HydrophobicContact CG2-CB 3.99Å; H36-D154 IonicContact CE1-OD2 3.81Å; H36-D154 IonicContact CG-OD2 3.4Å; H36-D154 IonicContact ND1-OD1 2.95Å; H36-D154 PolarHBondContact ND1-OD1 2.89Å; H36-D154 IonicContact ND1-OD2 2.65Å; H36-D154 PolarHBondContact ND1-OD2 3.2Å; D154-A156 PolarHBondContact O-N 3.36Å; D154-A156 VanDerWaalsContact OD1-CB 3.23Å; D154-A156 WeakPolarHBondContact OD1-CB 3.43Å; D154-A156 PolarHBondContact OD1-N 3.15Å; D154-R260 IonicContact OD2-NH2 2.9Å
155P95.1Very high96.1Very high0 Ų021.4 Ų21.40%012%0.116CC..THydrogen-bonded Turntrans-82.14.8-173.835.6-38000113.5L157 V161 Y173 V175 I178P155-L157 PolarHBondContact O-N 3.17Å; P155-V161 HydrophobicContact CB-CG2 3.81Å; P155-Y173 HydrophobicContact CB-CD1 4.48Å; P155-Y173 HydrophobicContact CB-CD2 4.04Å; P155-Y173 HydrophobicContact CB-CE2 4.12Å; P155-Y173 HydrophobicContact CB-CG 4.24Å; P155-Y173 HydrophobicContact CG-CD2 3.81Å; P155-Y173 HydrophobicContact CG-CE2 4.37Å; P155-Y173 HydrophobicContact CG-CG 3.92Å; P155-V175 HydrophobicContact CG-CB 3.66Å; P155-V175 HydrophobicContact CG-CG2 3.5Å; P155-I178 HydrophobicContact CB-CG2 4.14Å; P155-I178 HydrophobicContact CG-CG2 3.95Å
156A92Very high96.1Very high17 Ų1720 Ų2014%0.1410%0.104CC..THydrogen-bonded Turntrans-57.5-29.6173.500000111.9V32 D154 W177V32-A156 HydrophobicContact CG2-CB 4.34Å; D154-A156 PolarHBondContact O-N 3.36Å; D154-A156 VanDerWaalsContact OD1-CB 3.23Å; D154-A156 WeakPolarHBondContact OD1-CB 3.43Å; D154-A156 PolarHBondContact OD1-N 3.15Å; A156-W177 WeakPolarHBondContact CA-O 3.24Å; A156-W177 HydrophobicContact CB-CB 4.18Å; A156-W177 PolarHBondContact N-O 2.98Å
157L90.5Very high96.1Very high38 Ų3818.5 Ų18.520%0.1999%0.094CC..SBendtrans-117.2138164.9-55.5179.3000109.3V32 E81 L126 P155 V159V32-L157 HydrophobicContact CG1-CD1 4.1Å; V32-L157 HydrophobicContact CG1-CG 4.32Å; V32-L157 HydrophobicContact CG2-CB 3.96Å; V32-L157 HydrophobicContact CG2-CD1 3.91Å; V32-L157 HydrophobicContact CG2-CG 3.71Å; E81-L157 WeakPolarHBondContact OE2-CD1 3.46Å; L126-L157 HydrophobicContact CD1-CD2 3.81Å; L126-L157 HydrophobicContact CD2-CB 4.19Å; L126-L157 HydrophobicContact CD2-CD1 4.32Å; L126-L157 HydrophobicContact CD2-CD2 4.42Å; P155-L157 PolarHBondContact O-N 3.17Å; L157-V159 VanDerWaalsContact C-N 3.32Å; L157-V159 PolarHBondContact O-N 3.33Å
158P92.6Very high96.1Very high0 Ų020.8 Ų20.80%011%0.105CC..THydrogen-bonded Turntrans-82.1-4.3-166.830.2-32.5000114.5G160 V161 I162 Y233 L247P158-G160 VanDerWaalsContact C-N 3.3Å; P158-G160 PolarHBondContact O-N 2.93Å; P158-V161 WeakPolarHBondContact O-CB 2.96Å; P158-V161 PolarHBondContact O-N 3.35Å; P158-V161 VanDerWaalsContact O-N 3.11Å; P158-I162 HydrophobicContact CB-CD1 4.19Å; P158-I162 VanDerWaalsContact O-CG1 3.25Å; P158-I162 WeakPolarHBondContact O-CG1 3.42Å; P158-I162 PolarHBondContact O-N 3.39Å; P158-Y233 HydrophobicContact CG-CE1 3.81Å; P158-Y233 HydrophobicContact CG-CE2 4.4Å; P158-Y233 WeakPolarHBondContact CG-OH 3.43Å; P158-L247 HydrophobicContact CB-CD1 3.61Å; P158-L247 HydrophobicContact CB-CD2 4.13Å; P158-L247 HydrophobicContact CG-CD2 4.39Å
159V93.7Very high96Very high13 Ų1322 Ų228%0.07911%0.111CC..Hα-helixtrans-56.4-44-1751750000111.9V30 L126 I133 L157 I162 L163V30-V159 HydrophobicContact CG1-CG1 4.49Å; L126-V159 HydrophobicContact CD2-CG2 3.79Å; I133-V159 HydrophobicContact CD1-CG1 3.54Å; L157-V159 VanDerWaalsContact C-N 3.32Å; L157-V159 PolarHBondContact O-N 3.33Å; V159-I162 PolarHBondContact O-N 3.05Å; V159-L163 WeakPolarHBondContact O-CB 3.33Å; V159-L163 PolarHBondContact O-N 2.97Å
160G95.3Very high96Very high1 Ų119.8 Ų19.81%0.0110%0.101CC..Hα-helixtrans-70.9-33.7178.900000113.8V30 T153 P158 G164V30-G160 VanDerWaalsContact CG1-CA 3.48Å; T153-G160 WeakPolarHBondContact OG1-CA 3.46Å; P158-G160 VanDerWaalsContact C-N 3.3Å; P158-G160 PolarHBondContact O-N 2.93Å; G160-G164 PolarHBondContact O-N 2.92Å
161V96.4Very high96Very high0 Ų020 Ų200%010%0.102CC..Hα-helixtrans-63.1-49173.1176.80000110.4P155 P158 G164 G165 Y173 L250 E251P155-V161 HydrophobicContact CB-CG2 3.81Å; P158-V161 WeakPolarHBondContact O-CB 2.96Å; P158-V161 PolarHBondContact O-N 3.35Å; P158-V161 VanDerWaalsContact O-N 3.11Å; V161-G164 PolarHBondContact O-N 3.48Å; V161-G165 PolarHBondContact O-N 3.5Å; V161-Y173 WeakPolarHBondContact CG1-OH 3.21Å; V161-Y173 HydrophobicContact CG2-CE1 3.93Å; V161-L250 HydrophobicContact CG1-CB 3.86Å; V161-E251 HydrophobicContact CG1-CG 4.06Å; V161-E251 HydrophobicContact CG2-CG 4.48Å
162I97.1Very high96Very high1 Ų120 Ų201%0.00510%0.102CC..Hα-helixtrans-61.9-48178.9-64.6169000110.2A130 L134 P158 V159 G165 Y166 Y233 L236 F237 F241A130-I162 HydrophobicContact CB-CD1 4.01Å; A130-I162 HydrophobicContact CB-CG2 4.31Å; L134-I162 HydrophobicContact CD1-CG2 4.28Å; P158-I162 HydrophobicContact CB-CD1 4.19Å; P158-I162 VanDerWaalsContact O-CG1 3.25Å; P158-I162 WeakPolarHBondContact O-CG1 3.42Å; P158-I162 PolarHBondContact O-N 3.39Å; V159-I162 PolarHBondContact O-N 3.05Å; I162-G165 PolarHBondContact O-N 3.24Å; I162-Y166 WeakPolarHBondContact O-CB 3.33Å; I162-Y166 PolarHBondContact O-N 3.42Å; I162-Y233 HydrophobicContact CD1-CD1 3.79Å; I162-Y233 HydrophobicContact CD1-CE1 3.79Å; I162-L236 HydrophobicContact CD1-CD2 3.97Å; I162-L236 HydrophobicContact CG2-CD2 4.23Å; I162-F237 HydrophobicContact CD1-CE1 4.16Å; I162-F237 HydrophobicContact CD1-CZ 4.36Å; I162-F237 HydrophobicContact CG1-CE1 3.97Å; I162-F237 HydrophobicContact CG1-CZ 4.28Å; I162-F241 HydrophobicContact CG2-CE2 3.97Å; I162-F241 HydrophobicContact CG2-CZ 3.86Å; I162-F241 WeakPolarHBondContact O-CZ 3.17Å
163L96.8Very high96Very high3 Ų320 Ų202%0.01610%0.102CC..Hα-helixtrans-64.5-43-179.2-176.862.3000111.9L28 V30 L57 I133 L134 M140 L143 V159 Y166 L167L28-L163 HydrophobicContact CD2-CD2 4.2Å; V30-L163 HydrophobicContact CG2-CD2 4.24Å; L57-L163 HydrophobicContact CD1-CD2 3.32Å; I133-L163 HydrophobicContact CG2-CD1 4.25Å; L134-L163 HydrophobicContact CD2-CD1 4.1Å; M140-L163 HydrophobicContact CE-CD1 4.04Å; M140-L163 HydrophobicContact SD-CD1 4.01Å; L143-L163 HydrophobicContact CD1-CD1 4.21Å; L143-L163 HydrophobicContact CD1-CD2 4.18Å; V159-L163 WeakPolarHBondContact O-CB 3.33Å; V159-L163 PolarHBondContact O-N 2.97Å; L163-Y166 PolarHBondContact O-N 2.9Å; L163-L167 HydrophobicContact CD1-CD1 3.97Å; L163-L167 HydrophobicContact CD1-CG 4.09Å; L163-L167 HydrophobicContact CG-CD1 3.89Å; L163-L167 HydrophobicContact CG-CG 4.38Å; L163-L167 WeakPolarHBondContact O-CB 3.3Å; L163-L167 VanDerWaalsContact O-CG 3.3Å; L163-L167 WeakPolarHBondContact O-CG 3.5Å; L163-L167 PolarHBondContact O-N 2.62Å
164G96.8Very high96Very high0 Ų020 Ų200%010%0.102CC..Hα-helixtrans-62.1-43.7176.900000112.4G160 V161 L167 K168 L169G160-G164 PolarHBondContact O-N 2.92Å; V161-G164 PolarHBondContact O-N 3.48Å; G164-L167 PolarHBondContact O-N 2.99Å; G164-K168 PolarHBondContact O-N 3.49Å; G164-L169 PolarHBondContact O-N 3.24Å
165G96.3Very high95.9Very high19 Ų1920 Ų2020%0.19610%0.102CC..Hα-helixtrans-61.2-42.6173.400000113.1V161 I162 K168V161-G165 PolarHBondContact O-N 3.5Å; I162-G165 PolarHBondContact O-N 3.24Å; G165-K168 PolarHBondContact O-N 3.23Å
166Y96.9Very high95.8Very high70 Ų7020 Ų2028%0.27510%0.102SC..Hα-helixtrans-65.6-42.8178.4-171.8-89.5000112.4L134 M140 I162 L163 K168 Y240 F241L134-Y166 HydrophobicContact CD1-CD2 3.96Å; L134-Y166 HydrophobicContact CD1-CE2 4.36Å; L134-Y166 HydrophobicContact CD1-CG 4.36Å; L134-Y166 HydrophobicContact CD2-CD1 3.72Å; L134-Y166 HydrophobicContact CD2-CD2 3.97Å; L134-Y166 HydrophobicContact CD2-CE1 4.21Å; L134-Y166 HydrophobicContact CD2-CE2 4.42Å; L134-Y166 HydrophobicContact CD2-CG 3.58Å; M140-Y166 HydrophobicContact CE-CD1 3.44Å; M140-Y166 VanDerWaalsContact CE-CD1 3.44Å; M140-Y166 HydrophobicContact CE-CE1 3.5Å; M140-Y166 VanDerWaalsContact CE-CE1 3.5Å; I162-Y166 WeakPolarHBondContact O-CB 3.33Å; I162-Y166 PolarHBondContact O-N 3.42Å; L163-Y166 PolarHBondContact O-N 2.9Å; Y166-K168 PolarHBondContact O-N 2.89Å; Y166-Y240 HydrophobicContact CE2-CD1 4Å; Y166-Y240 HydrophobicContact CE2-CG 4.3Å; Y166-F241 HydrophobicContact CD2-CE2 4.43Å; Y166-F241 HydrophobicContact CD2-CZ 4.3Å
167L96.9Very high95.8Very high6 Ų621.4 Ų21.43%0.03110%0.103CC..Hα-helixtrans-74.2-11.2176.7-66175000113L28 M140 L143 W144 L163 G164 L169L28-L167 HydrophobicContact CD2-CD1 3.79Å; M140-L167 HydrophobicContact CE-CD2 3.62Å; M140-L167 HydrophobicContact CE-CG 4.37Å; L143-L167 HydrophobicContact CB-CD1 4.4Å; L143-L167 HydrophobicContact CB-CD2 4.34Å; L143-L167 HydrophobicContact CD1-CD1 4.34Å; W144-L167 HydrophobicContact CD2-CD2 4.05Å; W144-L167 HydrophobicContact CG-CD2 4.42Å; W144-L167 WeakPolarHBondContact CH2-O 3.15Å; W144-L167 HydrophobicContact CZ2-CD2 3.92Å; L163-L167 HydrophobicContact CD1-CD1 3.97Å; L163-L167 HydrophobicContact CD1-CG 4.09Å; L163-L167 HydrophobicContact CG-CD1 3.89Å; L163-L167 HydrophobicContact CG-CG 4.38Å; L163-L167 WeakPolarHBondContact O-CB 3.3Å; L163-L167 VanDerWaalsContact O-CG 3.3Å; L163-L167 WeakPolarHBondContact O-CG 3.5Å; L163-L167 PolarHBondContact O-N 2.62Å; G164-L167 PolarHBondContact O-N 2.99Å; L167-L169 HydrophobicContact CB-CD1 3.89Å; L167-L169 HydrophobicContact CB-CG 3.89Å; L167-L169 HydrophobicContact CD1-CD1 3.95Å; L167-L169 PolarHBondContact O-N 2.77Å
168K95.7Very high95.9Very high183 Ų18320 Ų2080%0.79610%0.096SC*.THydrogen-bonded Turntrans54.839.5-175.9-56.4-178.6179.7-1800112.6G164 G165 Y166G164-K168 PolarHBondContact O-N 3.49Å; G165-K168 PolarHBondContact O-N 3.23Å; Y166-K168 PolarHBondContact O-N 2.89Å
169L97.4Very high95.5Very high38 Ų3820.1 Ų20.120%0.19910%0.097CC..  trans-91.2150.7176.9-69.7173.9000110.2F148 V151 G164 L167F148-L169 HydrophobicContact CB-CD1 3.87Å; F148-L169 WeakPolarHBondContact O-CD2 3.09Å; V151-L169 HydrophobicContact CG2-CB 3.85Å; V151-L169 HydrophobicContact CG2-CD1 3.61Å; V151-L169 HydrophobicContact CG2-CG 4.37Å; G164-L169 PolarHBondContact O-N 3.24Å; L167-L169 HydrophobicContact CB-CD1 3.89Å; L167-L169 HydrophobicContact CB-CG 3.89Å; L167-L169 HydrophobicContact CD1-CD1 3.95Å; L167-L169 PolarHBondContact O-N 2.77Å
170P98Very high94.8Very high25 Ų2520.4 Ų20.416%0.16210%0.099CC..  trans-51.6147.3162.6-23.934.4000110.2L150 V151 D255 V468L150-P170 HydrophobicContact CD1-CB 4.1Å; L150-P170 WeakPolarHBondContact CD1-O 3.3Å; V151-P170 PolarHBondContact N-O 3.05Å; P170-D255 WeakPolarHBondContact CA-OD2 3.36Å; P170-D255 WeakPolarHBondContact CB-OD2 3.11Å; P170-V468 HydrophobicContact CB-CG1 3.52Å
171M98Very high94.5Very high5 Ų521.4 Ų21.43%0.02511%0.109CC..EExtended strand (participates in β ladder)trans-130.1130.3-177.6-65.3-166.9-67.700111.8V151 Y173 S253 A254 D255 I256V151-M171 HydrophobicContact CB-CG 4.26Å; V151-M171 WeakPolarHBondContact O-CA 3.21Å; M171-Y173 HydrophobicContact CB-CE1 4.2Å; M171-Y173 HydrophobicContact SD-CE1 4.29Å; M171-S253 WeakPolarHBondContact CE-OG 3.27Å; M171-A254 HydrophobicContact CB-CB 4.01Å; M171-D255 PolarHBondContact N-OD2 3.14Å; M171-D255 WeakPolarHBondContact O-CB 3.38Å; M171-D255 PolarHBondContact O-N 3.02Å; M171-I256 PolarHBondContact O-N 3.37Å
172V98.6Very high94.3Very high0 Ų021.5 Ų21.50%011%0.109CC..EExtended strand (participates in β ladder)trans-117.5129.4169.4175.90000107.7L150 V151 L152 T153 I256 L258 I465 V468L150-V172 HydrophobicContact CD1-CB 4.08Å; L150-V172 HydrophobicContact CD1-CG2 3.57Å; L150-V172 HydrophobicContact CD2-CB 4.34Å; L150-V172 HydrophobicContact CD2-CG2 3.96Å; L150-V172 HydrophobicContact CG-CG2 4.4Å; V151-V172 PolarHBondContact O-N 2.89Å; L152-V172 WeakPolarHBondContact CA-O 3.43Å; L152-V172 HydrophobicContact CD1-CB 4.04Å; L152-V172 HydrophobicContact CD1-CG1 3.81Å; T153-V172 PolarHBondContact N-O 2.84Å; V172-I256 WeakPolarHBondContact CA-O 3.23Å; V172-I256 HydrophobicContact CG1-CB 4.44Å; V172-I256 HydrophobicContact CG1-CG2 4.48Å; V172-I256 HydrophobicContact CG2-CB 4.28Å; V172-L258 HydrophobicContact CG1-CD1 3.65Å; V172-L258 HydrophobicContact CG1-CG 3.71Å; V172-I465 HydrophobicContact CG1-CG1 3.92Å; V172-V468 HydrophobicContact CG2-CB 3.93Å; V172-V468 HydrophobicContact CG2-CG1 4.15Å; V172-V468 HydrophobicContact CG2-CG2 3.72Å
173Y98.1Very high94.1Very high0 Ų021.4 Ų21.40%011%0.109CC..EExtended strand (participates in β ladder)trans-97.8134.1176.4-64.7-16.5000111.7T153 P155 V161 M171 L250 E251 A254 I256 W257 L258T153-Y173 HydrophobicContact CG2-CD1 3.38Å; T153-Y173 HydrophobicContact CG2-CE1 3.44Å; T153-Y173 VanDerWaalsContact CG2-CE1 3.44Å; T153-Y173 CarbonylContact O-C 3.56Å; T153-Y173 VanDerWaalsContact O-CA 3.29Å; T153-Y173 WeakPolarHBondContact O-CA 3.25Å; P155-Y173 HydrophobicContact CB-CD1 4.48Å; P155-Y173 HydrophobicContact CB-CD2 4.04Å; P155-Y173 HydrophobicContact CB-CE2 4.12Å; P155-Y173 HydrophobicContact CB-CG 4.24Å; P155-Y173 HydrophobicContact CG-CD2 3.81Å; P155-Y173 HydrophobicContact CG-CE2 4.37Å; P155-Y173 HydrophobicContact CG-CG 3.92Å; V161-Y173 WeakPolarHBondContact CG1-OH 3.21Å; V161-Y173 HydrophobicContact CG2-CE1 3.93Å; M171-Y173 HydrophobicContact CB-CE1 4.2Å; M171-Y173 HydrophobicContact SD-CE1 4.29Å; Y173-L250 PolarHBondContact OH-O 2.94Å; Y173-E251 VanDerWaalsContact CE2-O 3.22Å; Y173-E251 WeakPolarHBondContact CE2-O 3.06Å; Y173-E251 WeakPolarHBondContact OH-CA 3.28Å; Y173-E251 PolarHBondContact OH-O 3.47Å; Y173-A254 HydrophobicContact CD1-CB 4.02Å; Y173-A254 HydrophobicContact CD2-CB 3.8Å; Y173-A254 HydrophobicContact CE1-CB 3.7Å; Y173-A254 HydrophobicContact CE2-CB 3.45Å; Y173-A254 VanDerWaalsContact CE2-CB 3.45Å; Y173-A254 HydrophobicContact CG-CB 4.06Å; Y173-I256 PolarHBondContact N-O 3.34Å; Y173-W257 AromaticContact CD2-CD2 3.8Å; Y173-W257 HydrophobicContact CD2-CD2 3.8Å; Y173-W257 AromaticContact CD2-CE2 3.63Å; Y173-W257 HydrophobicContact CD2-CE3 4.14Å; Y173-W257 HydrophobicContact CD2-CG 4.31Å; Y173-W257 HydrophobicContact CD2-CH2 4.18Å; Y173-W257 AromaticContact CD2-CZ2 3.86Å; Y173-W257 HydrophobicContact CD2-CZ2 3.86Å; Y173-W257 HydrophobicContact CD2-CZ3 4.3Å; Y173-W257 HydrophobicContact CE2-CD2 4.42Å; Y173-W257 AromaticContact CE2-CE2 3.79Å; Y173-W257 HydrophobicContact CE2-CH2 4.1Å; Y173-W257 AromaticContact CE2-CZ2 3.64Å; Y173-W257 HydrophobicContact CE2-CZ2 3.64Å; Y173-L258 WeakPolarHBondContact O-CA 3.46Å; Y173-L258 WeakPolarHBondContact O-CB 3.49Å; Y173-L258 PolarHBondContact O-N 2.68Å
174N96.9Very high93.9Very high0 Ų021.3 Ų21.30%011%0.108CC..EExtended strand (participates in β ladder)trans-93.383.3161.9177.636.7000108.6T153 R260T153-N174 PolarHBondContact O-N 2.84Å; N174-R260 VanDerWaalsContact OD1-CD 3.29Å; N174-R260 WeakPolarHBondContact OD1-CD 3.15Å; N174-R260 WeakPolarHBondContact OD1-CG 3.44Å
175V95.1Very high93.7Very high0 Ų023.5 Ų23.50%012%0.12CC..EExtended strand (participates in β ladder)trans-117.8140.8-156.452.90000113.4P155 I178 W257 L258 F259 R260P155-V175 HydrophobicContact CG-CB 3.66Å; P155-V175 HydrophobicContact CG-CG2 3.5Å; V175-I178 HydrophobicContact CG2-CG2 4.13Å; V175-W257 HydrophobicContact CB-CE3 4.37Å; V175-W257 HydrophobicContact CG1-CB 3.9Å; V175-W257 HydrophobicContact CG1-CD2 4.28Å; V175-W257 HydrophobicContact CG1-CE3 3.75Å; V175-W257 HydrophobicContact CG1-CG 4.4Å; V175-W257 HydrophobicContact CG2-CE3 3.93Å; V175-W257 HydrophobicContact CG2-CZ3 4.02Å; V175-L258 PolarHBondContact N-O 3.04Å; V175-F259 HydrophobicContact CG1-CD2 4.24Å; V175-F259 CarbonylContact O-C 3.58Å; V175-F259 VanDerWaalsContact O-CA 3.29Å; V175-F259 WeakPolarHBondContact O-CA 3.39Å; V175-R260 PolarHBondContact O-N 3.25Å
176R92.5Very high93.4Very high2 Ų224.4 Ų24.41%0.00812%0.121CC..SBendtrans-134.8-51.5158.8174.871.7-170.7-154.91.5107.6E182 G183 R260 E266R176-E182 WeakPolarHBondContact O-CA 3.24Å; R176-G183 PolarHBondContact O-N 3.14Å; R176-R260 HydrophobicContact CB-CB 4.26Å; R176-E266 IonicContact CZ-OE1 3.68Å; R176-E266 IonicContact NH1-OE1 3.25Å; R176-E266 PolarHBondContact NH1-OE1 3.03Å; R176-E266 IonicContact NH2-OE1 3.5Å; R176-E266 PolarHBondContact NH2-OE1 2.93Å; R176-E266 IonicContact NH2-OE2 3.88Å
177W92.7Very high93.1Very high45 Ų4521.1 Ų21.117%0.1711%0.109CC..EExtended strand (participates in β ladder)trans-102.5145.7177.9-54.2110.8000110.1A156 G181 E182 D399A156-W177 WeakPolarHBondContact CA-O 3.24Å; A156-W177 HydrophobicContact CB-CB 4.18Å; A156-W177 PolarHBondContact N-O 2.98Å; W177-G181 CarbonylContact C-O 3.53Å; W177-G181 VanDerWaalsContact CA-O 3.32Å; W177-G181 WeakPolarHBondContact CA-O 3.47Å; W177-E182 HydrophobicContact CE3-CB 4.02Å; W177-E182 HydrophobicContact CH2-CB 4.21Å; W177-E182 HydrophobicContact CH2-CG 4.43Å; W177-E182 HydrophobicContact CZ3-CB 3.6Å; W177-E182 HydrophobicContact CZ3-CG 4.23Å; W177-D399 HydrophobicContact CH2-CB 3.64Å; W177-D399 HydrophobicContact CZ2-CB 3.12Å
178I91.4Very high92.9Very high8 Ų821.2 Ų21.24%0.04111%0.11CC..EExtended strand (participates in β ladder)trans-117.8179.7161.762.2166.5000107.6P155 V175 T180 G181 T186 W257P155-I178 HydrophobicContact CB-CG2 4.14Å; P155-I178 HydrophobicContact CG-CG2 3.95Å; V175-I178 HydrophobicContact CG2-CG2 4.13Å; I178-T180 PolarHBondContact O-N 3.17Å; I178-T180 VanDerWaalsContact O-N 3.14Å; I178-G181 WeakPolarHBondContact CG1-O 3.36Å; I178-G181 PolarHBondContact N-O 3.07Å; I178-G181 PolarHBondContact O-N 3.49Å; I178-T186 HydrophobicContact CD1-CG2 4.18Å; I178-T186 WeakPolarHBondContact CD1-OG1 3.4Å; I178-W257 HydrophobicContact CG2-CH2 4.22Å; I178-W257 HydrophobicContact CG2-CZ3 3.96Å
179N84.4Confident92.7Very high4 Ų414.7 Ų14.72%0.0219%0.086CC..THydrogen-bonded Turntrans-44.6-37174.257.2-13.9000116.2H123 Q225 I229 L247 E251H123-N179 WeakPolarHBondContact CE1-CB 3.23Å; N179-Q225 PolarHBondContact ND2-NE2 2.82Å; N179-I229 HydrophobicContact CB-CG2 4.35Å; N179-L247 WeakPolarHBondContact ND2-CD2 3.23Å; N179-E251 PolarHBondContact ND2-OE1 3.21Å; N179-E251 PolarHBondContact OD1-OE1 3.42Å
180T80.2Confident92.5Very high19 Ų1914 Ų1412%0.1179%0.085CC..THydrogen-bonded Turntrans-107.52.3-173.838.80000115.9I178 Q225 I229I178-T180 PolarHBondContact O-N 3.17Å; I178-T180 VanDerWaalsContact O-N 3.14Å; T180-Q225 HydrophobicContact CG2-CB 3.76Å; T180-Q225 VanDerWaalsContact CG2-CD 3.41Å; T180-Q225 HydrophobicContact CG2-CG 4.17Å; T180-Q225 PolarHBondContact OG1-OE1 3.28Å; T180-I229 HydrophobicContact CG2-CD1 3.37Å
181G88.1Confident92.4Very high22 Ų2215.1 Ų15.123%0.2279%0.092CC..EExtended strand (participates in β ladder)trans138.4-143.4-177.600000111.9W177 I178W177-G181 CarbonylContact C-O 3.53Å; W177-G181 VanDerWaalsContact CA-O 3.32Å; W177-G181 WeakPolarHBondContact CA-O 3.47Å; I178-G181 WeakPolarHBondContact CG1-O 3.36Å; I178-G181 PolarHBondContact N-O 3.07Å; I178-G181 PolarHBondContact O-N 3.49Å
182E92.1Very high92.3Very high1 Ų116.2 Ų16.21%0.00510%0.099CC..EExtended strand (participates in β ladder)trans-84.3125.7-171.1-169.7-86.1113.400111.1R176 W177 H184 L185 S198 F259 R269R176-E182 WeakPolarHBondContact O-CA 3.24Å; W177-E182 HydrophobicContact CE3-CB 4.02Å; W177-E182 HydrophobicContact CH2-CB 4.21Å; W177-E182 HydrophobicContact CH2-CG 4.43Å; W177-E182 HydrophobicContact CZ3-CB 3.6Å; W177-E182 HydrophobicContact CZ3-CG 4.23Å; E182-H184 VanDerWaalsContact C-N 3.27Å; E182-H184 PolarHBondContact O-N 3.46Å; E182-H184 VanDerWaalsContact O-N 3.11Å; E182-H184 WeakPolarHBondContact OE1-CA 3.32Å; E182-H184 WeakPolarHBondContact OE1-CB 3.4Å; E182-H184 PolarHBondContact OE1-N 3.03Å; E182-H184 WeakPolarHBondContact OE2-CB 3.42Å; E182-L185 HydrophobicContact CB-CD1 4.4Å; E182-L185 WeakPolarHBondContact O-CB 3.37Å; E182-L185 PolarHBondContact O-N 2.81Å; E182-S198 VanDerWaalsContact CB-OG 3.24Å; E182-S198 WeakPolarHBondContact CB-OG 3.45Å; E182-F259 HydrophobicContact CG-CZ 4.11Å; E182-F259 WeakPolarHBondContact OE1-CE2 3.46Å; E182-F259 WeakPolarHBondContact OE1-CZ 3.32Å; E182-R269 VanDerWaalsContact CD-NH2 3.26Å; E182-R269 IonicContact OE1-NH2 3.66Å; E182-R269 PolarHBondContact OE1-NH2 3.4Å; E182-R269 IonicContact OE2-CZ 2.96Å; E182-R269 IonicContact OE2-NH1 3.52Å; E182-R269 PolarHBondContact OE2-NH1 3.48Å; E182-R269 IonicContact OE2-NH2 2.61Å; E182-R269 PolarHBondContact OE2-NH2 3.35Å
183G92.7Very high92.1Very high0 Ų019.3 Ų19.30%012%0.121CC..THydrogen-bonded Turntrans-60.5-27.9-165.500000115.8R176 L185 T186 I187R176-G183 PolarHBondContact O-N 3.14Å; G183-L185 VanDerWaalsContact C-N 3.28Å; G183-L185 PolarHBondContact O-N 2.82Å; G183-T186 PolarHBondContact O-N 2.99Å; G183-I187 WeakPolarHBondContact O-CG2 3.38Å; G183-I187 PolarHBondContact O-N 3.03Å
184H93.6Very high92Very high0 Ų023.2 Ų23.20%014%0.136CC..Hα-helixtrans-62.9-32.1175.2-172.9-70.7000113E182 T186 I187 A188 S190 F259 R269 P270 M275 Y277E182-H184 VanDerWaalsContact C-N 3.27Å; E182-H184 PolarHBondContact O-N 3.46Å; E182-H184 VanDerWaalsContact O-N 3.11Å; E182-H184 WeakPolarHBondContact OE1-CA 3.32Å; E182-H184 WeakPolarHBondContact OE1-CB 3.4Å; E182-H184 PolarHBondContact OE1-N 3.03Å; E182-H184 WeakPolarHBondContact OE2-CB 3.42Å; H184-T186 PolarHBondContact O-N 3.32Å; H184-I187 PolarHBondContact O-N 3.16Å; H184-A188 VanDerWaalsContact CE1-CB 3.43Å; H184-A188 WeakPolarHBondContact CE1-CB 3.34Å; H184-A188 PolarHBondContact O-N 3.28Å; H184-S190 PolarHBondContact ND1-OG 3.08Å; H184-F259 HydrophobicContact CB-CE2 4.33Å; H184-F259 HydrophobicContact CB-CZ 4.3Å; H184-R269 PolarHBondContact CD2-NE 3.35Å; H184-R269 VanDerWaalsContact CD2-NE 3.35Å; H184-R269 PolarHBondContact CD2-NH2 3.14Å; H184-R269 WeakPolarHBondContact CE1-CD 3.44Å; H184-R269 PolarHBondContact CE1-NE 3.28Å; H184-R269 VanDerWaalsContact CG-CZ 3.41Å; H184-R269 VanDerWaalsContact CG-NH2 3.29Å; H184-R269 PolarHBondContact ND1-NE 3.27Å; H184-R269 PolarHBondContact NE2-NE 3.36Å; H184-P270 PolarHBondContact CE1-O 2.78Å; H184-P270 PolarHBondContact NE2-O 2.71Å; H184-M275 HydrophobicContact CB-CE 4.28Å; H184-M275 HydrophobicContact CB-SD 4.16Å; H184-M275 PolarHBondContact CD2-SD 3.22Å; H184-Y277 PolarHBondContact CD2-OH 2.79Å; H184-Y277 PolarHBondContact NE2-OH 3.4Å; H184-Y277 VanDerWaalsContact NE2-OH 3.11Å
185L91.6Very high92Very high46 Ų4623.4 Ų23.424%0.24114%0.137CC..Hα-helixtrans-62.1-27177.5-64.4175.6000111.5E182 G183 V195 I197E182-L185 HydrophobicContact CB-CD1 4.4Å; E182-L185 WeakPolarHBondContact O-CB 3.37Å; E182-L185 PolarHBondContact O-N 2.81Å; G183-L185 VanDerWaalsContact C-N 3.28Å; G183-L185 PolarHBondContact O-N 2.82Å; L185-V195 HydrophobicContact CD2-CG1 4.39Å; L185-I197 HydrophobicContact CD1-CD1 4.18Å; L185-I197 HydrophobicContact CD1-CG2 4.46Å; L185-I197 HydrophobicContact CD2-CD1 4Å
186T89.8Confident92.1Very high38 Ų3823.7 Ų23.723%0.23314%0.139CC..Hα-helixtrans-86.1-42.2-179.8-59.50000112.5I178 G183 H184 V248 L252I178-T186 HydrophobicContact CD1-CG2 4.18Å; I178-T186 WeakPolarHBondContact CD1-OG1 3.4Å; G183-T186 PolarHBondContact O-N 2.99Å; H184-T186 PolarHBondContact O-N 3.32Å; T186-V248 HydrophobicContact CG2-CG1 4.25Å; T186-L252 HydrophobicContact CG2-CD2 4.04Å; T186-L252 HydrophobicContact CG2-CG 4.33Å
187I91.4Very high92.2Very high2 Ų223.9 Ų23.91%0.0114%0.14CC..Hα-helixtrans-95.7-27-174-172.1167000114.4G183 H184 L252 W257 M272 M275 F482G183-I187 WeakPolarHBondContact O-CG2 3.38Å; G183-I187 PolarHBondContact O-N 3.03Å; H184-I187 PolarHBondContact O-N 3.16Å; I187-L252 HydrophobicContact CB-CD2 4.11Å; I187-L252 HydrophobicContact CG1-CD2 4.28Å; I187-W257 HydrophobicContact CB-CZ2 4.38Å; I187-W257 VanDerWaalsContact CD1-CD1 3.42Å; I187-W257 HydrophobicContact CD1-CD2 3.81Å; I187-W257 HydrophobicContact CD1-CG 3.77Å; I187-W257 HydrophobicContact CD1-CZ2 4.18Å; I187-W257 VanDerWaalsContact CD1-NE1 3.3Å; I187-W257 HydrophobicContact CG2-CD2 4.24Å; I187-W257 HydrophobicContact CG2-CE3 4.09Å; I187-W257 HydrophobicContact CG2-CZ3 4.35Å; I187-M272 HydrophobicContact CG1-CG 4.25Å; I187-M272 WeakPolarHBondContact O-CE 3.48Å; I187-M272 WeakPolarHBondContact O-CG 3.44Å; I187-M275 HydrophobicContact CG2-CE 3.18Å; I187-M275 HydrophobicContact CG2-SD 4.13Å; I187-F482 HydrophobicContact CG1-CE1 4.45Å; I187-F482 HydrophobicContact CG1-CE2 4.24Å; I187-F482 HydrophobicContact CG1-CZ 3.71Å; I187-F482 VanDerWaalsContact O-CE1 3.29Å; I187-F482 WeakPolarHBondContact O-CE1 3.49Å; I187-F482 WeakPolarHBondContact O-CZ 3.37Å
188A92.8Very high92.2Very high7 Ų722.5 Ų22.56%0.05814%0.137CC..SBendtrans-120.9149.7-173.900000112.3H184 S190 M272H184-A188 VanDerWaalsContact CE1-CB 3.43Å; H184-A188 WeakPolarHBondContact CE1-CB 3.34Å; H184-A188 PolarHBondContact O-N 3.28Å; A188-S190 PolarHBondContact O-N 3.39Å; A188-S190 VanDerWaalsContact O-N 3.1Å; A188-S190 PolarHBondContact O-OG 2.94Å; A188-M272 HydrophobicContact CB-CG 4.03Å
189P91.8Very high92.2Very high46 Ų4622.9 Ų22.930%0.29914%0.143SC..  trans-57.2122.6177.9-21.534.2000109.7P191 P270 M272P189-P191 WeakPolarHBondContact O-CD 3.32Å; P189-P270 HydrophobicContact CB-CB 4.25Å; P189-P270 HydrophobicContact CG-CB 4.48Å; P189-P270 WeakPolarHBondContact O-CD 3.29Å; P189-M272 HydrophobicContact CG-CE 4.13Å
190S93.8Very high92.6Very high24 Ų2422.7 Ų22.717%0.16814%0.142CC..  trans-126.777.9-174.8-62.90000109.7H184 A188 V192H184-S190 PolarHBondContact ND1-OG 3.08Å; A188-S190 PolarHBondContact O-N 3.39Å; A188-S190 VanDerWaalsContact O-N 3.1Å; A188-S190 PolarHBondContact O-OG 2.94Å; S190-V192 PolarHBondContact O-N 3.35Å
191P95Very high93.3Very high49 Ų4923 Ų2332%0.31814%0.142SC..  trans-62.9113.7-176.7-2133.4000111.1P189 S193 Y194 V195P189-P191 WeakPolarHBondContact O-CD 3.32Å; P191-S193 PolarHBondContact O-N 3.15Å; P191-Y194 HydrophobicContact CB-CD1 4.11Å; P191-Y194 HydrophobicContact CB-CE1 3.57Å; P191-Y194 HydrophobicContact CG-CE1 3.72Å; P191-Y194 PolarHBondContact O-N 2.82Å; P191-Y194 VanDerWaalsContact O-N 3.15Å; P191-V195 WeakPolarHBondContact O-CB 3.46Å; P191-V195 PolarHBondContact O-N 3.21Å
192V95.8Very high93.8Very high27 Ų2722.2 Ų22.216%0.16413%0.133CC..THydrogen-bonded Turntrans-65.5-3.9-176.2-57.30000114.2S190 Y194 I197 N214 M215 Y218S190-V192 PolarHBondContact O-N 3.35Å; V192-Y194 VanDerWaalsContact C-N 3.33Å; V192-I197 HydrophobicContact CG1-CD1 4.07Å; V192-N214 PolarHBondContact O-ND2 3.25Å; V192-M215 HydrophobicContact CG2-CE 3.4Å; V192-M215 HydrophobicContact CG2-SD 4.07Å; V192-Y218 HydrophobicContact CG1-CD1 4.24Å; V192-Y218 HydrophobicContact CG1-CD2 3.93Å; V192-Y218 HydrophobicContact CG1-CG 3.75Å
193S95.3Very high93.9Very high65 Ų6524.7 Ų24.746%0.45514%0.144SC..THydrogen-bonded Turntrans-72.2-24173.153.10000113.5P191 R211P191-S193 PolarHBondContact O-N 3.15Å; S193-R211 WeakPolarHBondContact O-CD 3.43Å
194Y95.8Very high94.1Very high83 Ų8326.8 Ų26.833%0.32516%0.156SC..THydrogen-bonded Turntrans-144-14178.669.5-91.2000114P191 V192 P196 D204 M206 P270P191-Y194 HydrophobicContact CB-CD1 4.11Å; P191-Y194 HydrophobicContact CB-CE1 3.57Å; P191-Y194 HydrophobicContact CG-CE1 3.72Å; P191-Y194 PolarHBondContact O-N 2.82Å; P191-Y194 VanDerWaalsContact O-N 3.15Å; V192-Y194 VanDerWaalsContact C-N 3.33Å; Y194-P196 VanDerWaalsContact O-CD 3.28Å; Y194-P196 WeakPolarHBondContact O-CD 3.44Å; Y194-D204 WeakPolarHBondContact O-CA 3.15Å; Y194-M206 VanDerWaalsContact CA-CE 3.49Å; Y194-P270 VanDerWaalsContact OH-CD 3.23Å; Y194-P270 WeakPolarHBondContact OH-CD 3.5Å
195V96.9Very high94.2Very high4 Ų434.1 Ų34.12%0.02419%0.19CC..SBendtrans-89.2111.6173.4-176.80000108.7L185 P191 N214 R269L185-V195 HydrophobicContact CD2-CG1 4.39Å; P191-V195 WeakPolarHBondContact O-CB 3.46Å; P191-V195 PolarHBondContact O-N 3.21Å; V195-N214 PolarHBondContact O-ND2 2.79Å; V195-R269 HydrophobicContact CG2-CB 3.88Å
196P96Very high94.5Very high5 Ų532.9 Ų32.93%0.03218%0.183CC..PPolyproline II helixtrans-70.2132.6177.928.5-33.9000110.8Y194 L202 N214 F267Y194-P196 VanDerWaalsContact O-CD 3.28Å; Y194-P196 WeakPolarHBondContact O-CD 3.44Å; P196-L202 HydrophobicContact CB-CB 3.94Å; P196-L202 WeakPolarHBondContact CB-O 3.48Å; P196-N214 WeakPolarHBondContact CA-OD1 3.32Å; P196-F267 HydrophobicContact CG-CD2 3.74Å; P196-F267 HydrophobicContact CG-CE2 4.01Å
197I95.3Very high94.8Very high7 Ų735.1 Ų35.14%0.03619%0.193CC..PPolyproline II helixtrans-71.6141.1174.4-59-59.8000108.8L185 V192 G199 S200 N214 H217 Y218L185-I197 HydrophobicContact CD1-CD1 4.18Å; L185-I197 HydrophobicContact CD1-CG2 4.46Å; L185-I197 HydrophobicContact CD2-CD1 4Å; V192-I197 HydrophobicContact CG1-CD1 4.07Å; I197-G199 PolarHBondContact O-N 3.24Å; I197-S200 WeakPolarHBondContact O-CB 3.28Å; I197-S200 PolarHBondContact O-N 2.88Å; I197-S200 VanDerWaalsContact O-N 3.07Å; I197-S200 PolarHBondContact O-OG 3.39Å; I197-N214 WeakPolarHBondContact CG1-OD1 3.29Å; I197-N214 PolarHBondContact N-OD1 3.49Å; I197-H217 HydrophobicContact CB-CB 3.99Å; I197-H217 HydrophobicContact CG2-CB 3.91Å; I197-Y218 HydrophobicContact CD1-CD2 4Å; I197-Y218 HydrophobicContact CD1-CG 4.43Å
198S91.6Very high95.1Very high15 Ų1541.6 Ų41.611%0.10522%0.222CC..THydrogen-bonded Turntrans-60.4139.2178-62.30000110.5E182 S200E182-S198 VanDerWaalsContact CB-OG 3.24Å; E182-S198 WeakPolarHBondContact CB-OG 3.45Å; S198-S200 VanDerWaalsContact C-N 3.27Å; S198-S200 PolarHBondContact O-N 2.81Å
199G91.6Very high95.3Very high16 Ų1648.2 Ų48.217%0.16525%0.252CS..THydrogen-bonded Turntrans84.4-10.8-173.100000114.5T108 I197 E201 D402T108-G199 WeakPolarHBondContact CB-O 3.4Å; I197-G199 PolarHBondContact O-N 3.24Å; G199-E201 VanDerWaalsContact C-N 3.34Å; G199-E201 PolarHBondContact O-N 3.44Å; G199-D402 WeakPolarHBondContact CA-OD2 3.49Å; G199-D402 PolarHBondContact N-OD2 3.05Å
200S94.6Very high95.6Very high0 Ų048.4 Ų48.40%025%0.249CC..SBendtrans-75.7-21-179.670.50000113.7I197 S198 L202 K213I197-S200 WeakPolarHBondContact O-CB 3.28Å; I197-S200 PolarHBondContact O-N 2.88Å; I197-S200 VanDerWaalsContact O-N 3.07Å; I197-S200 PolarHBondContact O-OG 3.39Å; S198-S200 VanDerWaalsContact C-N 3.27Å; S198-S200 PolarHBondContact O-N 2.81Å; S200-L202 VanDerWaalsContact C-N 3.29Å; S200-L202 PolarHBondContact O-N 2.93Å; S200-K213 WeakPolarHBondContact O-CE 3.48Å; S200-K213 PolarHBondContact O-NZ 2.77Å
201E94.9Very high95.8Very high25 Ų2552.4 Ų52.412%0.11726%0.26CS..  trans54.941.9-173.1-62176.7-138.600112.8R100 R107 T108 G199 F401 D402 L405R100-E201 IonicContact CZ-OE1 3.01Å; R100-E201 IonicContact NH1-OE1 2.83Å; R100-E201 PolarHBondContact NH1-OE1 3.37Å; R100-E201 IonicContact NH1-OE2 3.72Å; R100-E201 IonicContact NH2-OE1 3.67Å; R100-E201 IonicContact NH2-OE2 2.99Å; R100-E201 PolarHBondContact NH2-OE2 2.93Å; R107-E201 IonicContact CZ-OE2 3.6Å; R107-E201 IonicContact NE-OE2 3.75Å; R107-E201 IonicContact NH2-OE2 2.74Å; R107-E201 PolarHBondContact NH2-OE2 2.83Å; T108-E201 HydrophobicContact CG2-CB 4.3Å; T108-E201 HydrophobicContact CG2-CG 4.1Å; G199-E201 VanDerWaalsContact C-N 3.34Å; G199-E201 PolarHBondContact O-N 3.44Å; E201-F401 HydrophobicContact CG-CB 3.86Å; E201-D402 VanDerWaalsContact CA-OD1 3.3Å; E201-D402 WeakPolarHBondContact CA-OD1 3.4Å; E201-D402 PolarHBondContact N-OD1 3.46Å; E201-L405 VanDerWaalsContact O-CD2 3.27Å; E201-L405 WeakPolarHBondContact O-CD2 3.33Å
202L96.6Very high95.9Very high6 Ų653.5 Ų53.53%0.03126%0.262CS..  trans-113.8157.3179.7-63.9174.6000112.4P196 S200 M206 E210 K213 N214 L405P196-L202 HydrophobicContact CB-CB 3.94Å; P196-L202 WeakPolarHBondContact CB-O 3.48Å; S200-L202 VanDerWaalsContact C-N 3.29Å; S200-L202 PolarHBondContact O-N 2.93Å; L202-M206 HydrophobicContact CB-CG 4.35Å; L202-M206 HydrophobicContact CB-SD 4.1Å; L202-M206 HydrophobicContact CD1-CG 4.5Å; L202-M206 HydrophobicContact CD1-SD 3.72Å; L202-M206 HydrophobicContact CG-SD 4.5Å; L202-E210 HydrophobicContact CD1-CB 4.33Å; L202-E210 VanDerWaalsContact CD1-O 3.31Å; L202-E210 WeakPolarHBondContact CD1-O 3.43Å; L202-E210 HydrophobicContact CD2-CB 3.95Å; L202-E210 HydrophobicContact CD2-CG 3.82Å; L202-K213 HydrophobicContact CD1-CB 4.32Å; L202-K213 HydrophobicContact CD1-CD 4.26Å; L202-K213 HydrophobicContact CD1-CG 4.44Å; L202-K213 HydrophobicContact CD2-CD 4.32Å; L202-K213 HydrophobicContact CG-CD 4.49Å; L202-N214 HydrophobicContact CD1-CB 3.75Å; L202-L405 VanDerWaalsContact C-CD2 3.48Å; L202-L405 WeakPolarHBondContact O-CD2 3.45Å
203H95.9Very high96Very high54 Ų5452.5 Ų52.525%0.2526%0.256CS..  trans-100.6177.8171.961.692.6000111.3Q205 M206 F267 V409H203-Q205 VanDerWaalsContact C-N 3.29Å; H203-Q205 PolarHBondContact CE1-O 2.83Å; H203-Q205 PolarHBondContact ND1-N 2.77Å; H203-Q205 PolarHBondContact O-N 3.42Å; H203-M206 WeakPolarHBondContact O-CG 3.49Å; H203-F267 HydrophobicContact CB-CE2 4.36Å; H203-F267 HydrophobicContact CB-CZ 3.86Å; H203-V409 HydrophobicContact CB-CG2 3.87Å
204D95.7Very high96.1Very high44 Ų4449.4 Ų49.424%0.23523%0.234CC..SBendtrans-81.3-0.9-17561.1-20.6000115.2Y194 F267Y194-D204 WeakPolarHBondContact O-CA 3.15Å; D204-F267 HydrophobicContact CB-CB 3.8Å; D204-F267 HydrophobicContact CB-CD1 3.8Å; D204-F267 HydrophobicContact CB-CD2 4.17Å; D204-F267 HydrophobicContact CB-CE1 4.43Å; D204-F267 HydrophobicContact CB-CG 3.66Å; D204-F267 WeakPolarHBondContact OD1-CD1 3.38Å; D204-F267 WeakPolarHBondContact OD1-CE1 3.32Å; D204-F267 WeakPolarHBondContact OD2-CD1 3.49Å
205Q96.4Very high96.2Very high153 Ų15349.4 Ų49.472%0.71524%0.238SC*.SBendtrans-116.260.4178.7-62-175.330.200110.7H203H203-Q205 VanDerWaalsContact C-N 3.29Å; H203-Q205 PolarHBondContact CE1-O 2.83Å; H203-Q205 PolarHBondContact ND1-N 2.77Å; H203-Q205 PolarHBondContact O-N 3.42Å
206M97.1Very high96.2Very high21 Ų2152.7 Ų52.710%0.10326%0.255CS..  trans-75.8139-174-68.4175.8-82.900113Y194 L202 H203 E210 R211 N214Y194-M206 VanDerWaalsContact CA-CE 3.49Å; L202-M206 HydrophobicContact CB-CG 4.35Å; L202-M206 HydrophobicContact CB-SD 4.1Å; L202-M206 HydrophobicContact CD1-CG 4.5Å; L202-M206 HydrophobicContact CD1-SD 3.72Å; L202-M206 HydrophobicContact CG-SD 4.5Å; H203-M206 WeakPolarHBondContact O-CG 3.49Å; M206-E210 VanDerWaalsContact CA-OE2 3.28Å; M206-E210 WeakPolarHBondContact CA-OE2 3.35Å; M206-E210 HydrophobicContact CB-CB 3.69Å; M206-E210 HydrophobicContact CG-CB 3.88Å; M206-R211 HydrophobicContact CB-CG 3.71Å; M206-R211 HydrophobicContact SD-CG 4.48Å; M206-N214 HydrophobicContact CE-CB 4.43Å; M206-N214 HydrophobicContact SD-CB 3.65Å
207D97.2Very high96.2Very high84 Ų8452.6 Ų52.645%0.44925%0.254SS..  trans-73.6-172.3164.677.525000112.3Q209 E210 R211D207-Q209 WeakPolarHBondContact OD1-CA 3.3Å; D207-Q209 PolarHBondContact OD1-N 2.76Å; D207-E210 PolarHBondContact N-OE2 2.96Å; D207-E210 WeakPolarHBondContact OD1-CG 3.48Å; D207-E210 PolarHBondContact OD1-N 3.06Å; D207-R211 WeakPolarHBondContact O-CB 3.36Å; D207-R211 VanDerWaalsContact O-CG 3.25Å; D207-R211 WeakPolarHBondContact O-CG 3.5Å; D207-R211 PolarHBondContact O-N 2.98Å; D207-R211 PolarHBondContact O-NE 3.34Å
208F97.4Very high96.2Very high138 Ų13857 Ų5761%0.60527%0.271SS*.Hα-helixtrans-68.3-40.4179.6-178-113.6000113.6R211 I212F208-R211 PolarHBondContact O-N 2.84Å; F208-I212 HydrophobicContact CD1-CD1 3.91Å; F208-I212 HydrophobicContact CE1-CD1 3.48Å; F208-I212 VanDerWaalsContact CE1-CD1 3.48Å; F208-I212 HydrophobicContact CE1-CG1 4.38Å; F208-I212 HydrophobicContact CE2-CD1 4.41Å; F208-I212 HydrophobicContact CZ-CD1 3.76Å; F208-I212 HydrophobicContact CZ-CG1 4.27Å; F208-I212 WeakPolarHBondContact O-CG1 3.39Å; F208-I212 PolarHBondContact O-N 3.42Å
209Q96.8Very high96.4Very high147 Ų14760.7 Ų60.769%0.68729%0.289SS*.Hα-helixtrans-70.3-39.1-180-65.7-173.9-9.900111D207 I212 K213D207-Q209 WeakPolarHBondContact OD1-CA 3.3Å; D207-Q209 PolarHBondContact OD1-N 2.76Å; Q209-I212 WeakPolarHBondContact O-CB 3.45Å; Q209-I212 PolarHBondContact O-N 3.22Å; Q209-K213 PolarHBondContact O-N 2.99Å
210E97.4Very high96.5Very high50 Ų5062.4 Ų62.423%0.23429%0.291CS..Hα-helixtrans-64.3-41.2174.2-68.3177136.400111.2L202 M206 D207 I212 K213 N214L202-E210 HydrophobicContact CD1-CB 4.33Å; L202-E210 VanDerWaalsContact CD1-O 3.31Å; L202-E210 WeakPolarHBondContact CD1-O 3.43Å; L202-E210 HydrophobicContact CD2-CB 3.95Å; L202-E210 HydrophobicContact CD2-CG 3.82Å; M206-E210 VanDerWaalsContact CA-OE2 3.28Å; M206-E210 WeakPolarHBondContact CA-OE2 3.35Å; M206-E210 HydrophobicContact CB-CB 3.69Å; M206-E210 HydrophobicContact CG-CB 3.88Å; D207-E210 PolarHBondContact N-OE2 2.96Å; D207-E210 WeakPolarHBondContact OD1-CG 3.48Å; D207-E210 PolarHBondContact OD1-N 3.06Å; E210-I212 VanDerWaalsContact C-N 3.34Å; E210-I212 PolarHBondContact O-N 3.31Å; E210-K213 WeakPolarHBondContact O-CB 3.38Å; E210-K213 PolarHBondContact O-N 3.15Å; E210-N214 WeakPolarHBondContact O-CB 3.39Å; E210-N214 PolarHBondContact O-N 3.06Å
211R97.9Very high96.3Very high108 Ų10863.4 Ų63.441%0.40830%0.298SS..Hα-helixtrans-63.6-36.2172.8-75.8-176-61.7161.61.3113.1S193 M206 D207 F208 N214 M215S193-R211 WeakPolarHBondContact O-CD 3.43Å; M206-R211 HydrophobicContact CB-CG 3.71Å; M206-R211 HydrophobicContact SD-CG 4.48Å; D207-R211 WeakPolarHBondContact O-CB 3.36Å; D207-R211 VanDerWaalsContact O-CG 3.25Å; D207-R211 WeakPolarHBondContact O-CG 3.5Å; D207-R211 PolarHBondContact O-N 2.98Å; D207-R211 PolarHBondContact O-NE 3.34Å; F208-R211 PolarHBondContact O-N 2.84Å; R211-N214 PolarHBondContact O-N 3.34Å; R211-M215 WeakPolarHBondContact O-CB 3.32Å; R211-M215 PolarHBondContact O-N 2.59Å
212I97.8Very high96.2Very high72 Ų7264.6 Ų64.637%0.36931%0.307SS..Hα-helixtrans-61.6-50.7171.7-70.4167.1000109.7F208 Q209 E210 N214 M215 L216F208-I212 HydrophobicContact CD1-CD1 3.91Å; F208-I212 HydrophobicContact CE1-CD1 3.48Å; F208-I212 VanDerWaalsContact CE1-CD1 3.48Å; F208-I212 HydrophobicContact CE1-CG1 4.38Å; F208-I212 HydrophobicContact CE2-CD1 4.41Å; F208-I212 HydrophobicContact CZ-CD1 3.76Å; F208-I212 HydrophobicContact CZ-CG1 4.27Å; F208-I212 WeakPolarHBondContact O-CG1 3.39Å; F208-I212 PolarHBondContact O-N 3.42Å; Q209-I212 WeakPolarHBondContact O-CB 3.45Å; Q209-I212 PolarHBondContact O-N 3.22Å; E210-I212 VanDerWaalsContact C-N 3.34Å; E210-I212 PolarHBondContact O-N 3.31Å; I212-N214 VanDerWaalsContact C-N 3.28Å; I212-N214 PolarHBondContact O-N 3.38Å; I212-M215 PolarHBondContact O-N 2.96Å; I212-L216 HydrophobicContact CG2-CD1 3.97Å; I212-L216 HydrophobicContact CG2-CG 4.41Å; I212-L216 WeakPolarHBondContact O-CG 3.38Å; I212-L216 PolarHBondContact O-N 3.17Å
213K97.3Very high96Very high6 Ų670 Ų703%0.02633%0.328CS..Hα-helixtrans-55.8-45.7177.9-174.3-173.8178.6-164.90111N104 F105 T108 F109 S200 L202 Q209 E210 L216 H217N104-K213 PolarHBondContact OD1-NZ 2.99Å; F105-K213 HydrophobicContact CD2-CB 4.14Å; F105-K213 HydrophobicContact CD2-CD 4.18Å; F105-K213 HydrophobicContact CD2-CG 4.08Å; F105-K213 HydrophobicContact CE2-CB 3.75Å; F105-K213 HydrophobicContact CE2-CG 4Å; T108-K213 WeakPolarHBondContact OG1-CE 3.43Å; T108-K213 PolarHBondContact OG1-NZ 2.96Å; F109-K213 HydrophobicContact CE2-CG 4.29Å; F109-K213 HydrophobicContact CZ-CG 4.42Å; S200-K213 WeakPolarHBondContact O-CE 3.48Å; S200-K213 PolarHBondContact O-NZ 2.77Å; L202-K213 HydrophobicContact CD1-CB 4.32Å; L202-K213 HydrophobicContact CD1-CD 4.26Å; L202-K213 HydrophobicContact CD1-CG 4.44Å; L202-K213 HydrophobicContact CD2-CD 4.32Å; L202-K213 HydrophobicContact CG-CD 4.49Å; Q209-K213 PolarHBondContact O-N 2.99Å; E210-K213 WeakPolarHBondContact O-CB 3.38Å; E210-K213 PolarHBondContact O-N 3.15Å; K213-L216 PolarHBondContact O-N 2.89Å; K213-H217 PolarHBondContact O-CD2 2.64Å; K213-H217 PolarHBondContact O-N 3.11Å
214N97.6Very high95.7Very high0 Ų067.6 Ų67.60%032%0.317CS..Hα-helixtrans-63.3-44.6179.9-160.946.9000112.5V192 V195 P196 I197 L202 M206 E210 R211 I212 L216 H217 Y218V192-N214 PolarHBondContact O-ND2 3.25Å; V195-N214 PolarHBondContact O-ND2 2.79Å; P196-N214 WeakPolarHBondContact CA-OD1 3.32Å; I197-N214 WeakPolarHBondContact CG1-OD1 3.29Å; I197-N214 PolarHBondContact N-OD1 3.49Å; L202-N214 HydrophobicContact CD1-CB 3.75Å; M206-N214 HydrophobicContact CE-CB 4.43Å; M206-N214 HydrophobicContact SD-CB 3.65Å; E210-N214 WeakPolarHBondContact O-CB 3.39Å; E210-N214 PolarHBondContact O-N 3.06Å; R211-N214 PolarHBondContact O-N 3.34Å; I212-N214 VanDerWaalsContact C-N 3.28Å; I212-N214 PolarHBondContact O-N 3.38Å; N214-L216 VanDerWaalsContact C-N 3.33Å; N214-L216 PolarHBondContact O-N 2.91Å; N214-H217 PolarHBondContact O-N 3.19Å; N214-Y218 PolarHBondContact O-N 3.04Å
215M97.4Very high95.4Very high82 Ų8266 Ų6640%0.40431%0.308SS..Hα-helixtrans-61-41.4174.8177.961.77900111.6V192 R211 I212 Y218 L219V192-M215 HydrophobicContact CG2-CE 3.4Å; V192-M215 HydrophobicContact CG2-SD 4.07Å; R211-M215 WeakPolarHBondContact O-CB 3.32Å; R211-M215 PolarHBondContact O-N 2.59Å; I212-M215 PolarHBondContact O-N 2.96Å; M215-Y218 WeakPolarHBondContact O-CB 3.24Å; M215-Y218 PolarHBondContact O-N 3.24Å; M215-Y218 HydrophobicContact SD-CD1 4.07Å; M215-L219 HydrophobicContact CG-CD1 4.2Å; M215-L219 HydrophobicContact CG-CG 4.44Å; M215-L219 WeakPolarHBondContact O-CG 3.49Å; M215-L219 PolarHBondContact O-N 2.74Å; M215-L219 HydrophobicContact SD-CD1 4.48Å; M215-L219 HydrophobicContact SD-CG 4.24Å
216L97.3Very high95Very high74 Ų7465 Ų6539%0.38730%0.298SS..Hα-helixtrans-65.1-39.9177.6-70.3173.1000112.1F105 F109 I212 K213 N214 L219 Y220F105-L216 HydrophobicContact CZ-CD1 3.91Å; F109-L216 HydrophobicContact CE1-CB 3.99Å; F109-L216 HydrophobicContact CZ-CB 3.66Å; F109-L216 HydrophobicContact CZ-CD1 4.42Å; I212-L216 HydrophobicContact CG2-CD1 3.97Å; I212-L216 HydrophobicContact CG2-CG 4.41Å; I212-L216 WeakPolarHBondContact O-CG 3.38Å; I212-L216 PolarHBondContact O-N 3.17Å; K213-L216 PolarHBondContact O-N 2.89Å; N214-L216 VanDerWaalsContact C-N 3.33Å; N214-L216 PolarHBondContact O-N 2.91Å; L216-L219 PolarHBondContact O-N 3.01Å; L216-Y220 WeakPolarHBondContact O-CB 3.25Å; L216-Y220 PolarHBondContact O-N 3.46Å
217H96Very high94.6Very high3 Ų370.8 Ų70.81%0.01432%0.323CS..Hα-helixtrans-61.6-42.2171.3-90-83000111.9T108 F109 I197 K213 N214 Y220 S221T108-H217 PolarHBondContact OG1-NE2 2.73Å; F109-H217 AromaticContact CD1-NE2 3.92Å; F109-H217 AromaticContact CE1-CD2 3.54Å; F109-H217 AromaticContact CE1-CG 3.87Å; F109-H217 AromaticContact CE1-NE2 3.65Å; F109-H217 AromaticContact CE2-NE2 3.94Å; F109-H217 AromaticContact CZ-CD2 3.43Å; F109-H217 VanDerWaalsContact CZ-CD2 3.43Å; F109-H217 WeakPolarHBondContact CZ-CD2 3.28Å; F109-H217 AromaticContact CZ-NE2 3.65Å; I197-H217 HydrophobicContact CB-CB 3.99Å; I197-H217 HydrophobicContact CG2-CB 3.91Å; K213-H217 PolarHBondContact O-CD2 2.64Å; K213-H217 PolarHBondContact O-N 3.11Å; N214-H217 PolarHBondContact O-N 3.19Å; H217-Y220 PolarHBondContact O-N 3.06Å; H217-S221 PolarHBondContact O-N 3.32Å
218Y95.4Very high94.3Very high98 Ų9869.2 Ų69.238%0.38431%0.314SS..Hα-helixtrans-59.3-51.6174.4173.2-107.9000111.7V192 I197 N214 M215 Y220 S221 V222V192-Y218 HydrophobicContact CG1-CD1 4.24Å; V192-Y218 HydrophobicContact CG1-CD2 3.93Å; V192-Y218 HydrophobicContact CG1-CG 3.75Å; I197-Y218 HydrophobicContact CD1-CD2 4Å; I197-Y218 HydrophobicContact CD1-CG 4.43Å; N214-Y218 PolarHBondContact O-N 3.04Å; M215-Y218 WeakPolarHBondContact O-CB 3.24Å; M215-Y218 PolarHBondContact O-N 3.24Å; M215-Y218 HydrophobicContact SD-CD1 4.07Å; Y218-Y220 VanDerWaalsContact C-N 3.25Å; Y218-Y220 PolarHBondContact O-N 2.88Å; Y218-S221 PolarHBondContact O-N 3.38Å; Y218-S221 VanDerWaalsContact O-N 3.1Å; Y218-S221 PolarHBondContact O-OG 3.33Å; Y218-V222 HydrophobicContact CD2-CG2 4.43Å; Y218-V222 HydrophobicContact CE1-CG2 4.09Å; Y218-V222 HydrophobicContact CE2-CG2 3.98Å; Y218-V222 WeakPolarHBondContact O-CG2 3.1Å; Y218-V222 PolarHBondContact O-N 3.1Å
219L95.1Very high93.9Very high93 Ų9362.6 Ų62.649%0.48729%0.285SS..Hα-helixtrans-60.4-37.2179-67.6174.4000111.9M215 L216 V222 Y223M215-L219 HydrophobicContact CG-CD1 4.2Å; M215-L219 HydrophobicContact CG-CG 4.44Å; M215-L219 WeakPolarHBondContact O-CG 3.49Å; M215-L219 PolarHBondContact O-N 2.74Å; M215-L219 HydrophobicContact SD-CD1 4.48Å; M215-L219 HydrophobicContact SD-CG 4.24Å; L216-L219 PolarHBondContact O-N 3.01Å; L219-V222 PolarHBondContact O-N 3.48Å; L219-Y223 PolarHBondContact O-N 2.9Å
220Y93.9Very high93.6Very high52 Ų5256.5 Ų56.520%0.20426%0.258CS..Hα-helixtrans-63-46.1173.7-169.1-81.2000111.7Q112 L216 H217 Y218 V222 Y223 E224Q112-Y220 HydrophobicContact CB-CE1 4.45Å; Q112-Y220 HydrophobicContact CG-CD1 3.54Å; Q112-Y220 HydrophobicContact CG-CE1 3.45Å; Q112-Y220 VanDerWaalsContact CG-CE1 3.45Å; L216-Y220 WeakPolarHBondContact O-CB 3.25Å; L216-Y220 PolarHBondContact O-N 3.46Å; H217-Y220 PolarHBondContact O-N 3.06Å; Y218-Y220 VanDerWaalsContact C-N 3.25Å; Y218-Y220 PolarHBondContact O-N 2.88Å; Y220-V222 VanDerWaalsContact C-N 3.3Å; Y220-V222 PolarHBondContact O-N 2.99Å; Y220-Y223 WeakPolarHBondContact O-CB 3.43Å; Y220-Y223 PolarHBondContact O-N 2.95Å; Y220-Y223 VanDerWaalsContact O-N 3.11Å; Y220-E224 WeakPolarHBondContact O-CB 3.5Å; Y220-E224 PolarHBondContact O-N 2.76Å
221S91.9Very high93.3Very high21 Ų2157.2 Ų57.215%0.14727%0.266CS..Hα-helixtrans-62-37.1178710000112.8H217 Y218 E224 Q225H217-S221 PolarHBondContact O-N 3.32Å; Y218-S221 PolarHBondContact O-N 3.38Å; Y218-S221 VanDerWaalsContact O-N 3.1Å; Y218-S221 PolarHBondContact O-OG 3.33Å; S221-E224 PolarHBondContact O-N 3.36Å; S221-Q225 PolarHBondContact O-N 3.48Å
222V91.2Very high93.1Very high51 Ų5153.5 Ų53.531%0.30926%0.258SS..Hα-helixtrans-64.9-45.5173.4173.20000110Y218 L219 Y220 E224 Q225 Y226Y218-V222 HydrophobicContact CD2-CG2 4.43Å; Y218-V222 HydrophobicContact CE1-CG2 4.09Å; Y218-V222 HydrophobicContact CE2-CG2 3.98Å; Y218-V222 WeakPolarHBondContact O-CG2 3.1Å; Y218-V222 PolarHBondContact O-N 3.1Å; L219-V222 PolarHBondContact O-N 3.48Å; Y220-V222 VanDerWaalsContact C-N 3.3Å; Y220-V222 PolarHBondContact O-N 2.99Å; V222-E224 VanDerWaalsContact C-N 3.35Å; V222-E224 PolarHBondContact O-N 3.49Å; V222-Q225 PolarHBondContact O-N 3.38Å; V222-Y226 HydrophobicContact CG1-CD2 3.87Å; V222-Y226 HydrophobicContact CG1-CE2 4.03Å; V222-Y226 VanDerWaalsContact O-CD2 3.26Å; V222-Y226 WeakPolarHBondContact O-CD2 3.5Å; V222-Y226 PolarHBondContact O-N 3.21Å
223Y92.2Very high92.9Very high120 Ų12050 Ų5047%0.47124%0.241SC..Hα-helixtrans-58.8-46.8176.1171.1-97.6000111.7L219 Y220 Q225 Y226 F227 I228L219-Y223 PolarHBondContact O-N 2.9Å; Y220-Y223 WeakPolarHBondContact O-CB 3.43Å; Y220-Y223 PolarHBondContact O-N 2.95Å; Y220-Y223 VanDerWaalsContact O-N 3.11Å; Y223-Q225 PolarHBondContact O-N 3.23Å; Y223-Y226 PolarHBondContact O-N 2.98Å; Y223-F227 HydrophobicContact CD2-CB 4.09Å; Y223-F227 AromaticContact CD2-CD2 3.41Å; Y223-F227 HydrophobicContact CD2-CD2 3.41Å; Y223-F227 VanDerWaalsContact CD2-CD2 3.41Å; Y223-F227 HydrophobicContact CD2-CE2 4.09Å; Y223-F227 AromaticContact CD2-CG 3.95Å; Y223-F227 HydrophobicContact CD2-CG 3.95Å; Y223-F227 HydrophobicContact CE2-CB 3.8Å; Y223-F227 AromaticContact CE2-CD2 3.82Å; Y223-F227 HydrophobicContact CE2-CD2 3.82Å; Y223-F227 AromaticContact CE2-CG 3.86Å; Y223-F227 HydrophobicContact CE2-CG 3.86Å; Y223-F227 HydrophobicContact CG-CD2 4.2Å; Y223-F227 WeakPolarHBondContact O-CB 3.38Å; Y223-F227 WeakPolarHBondContact O-CD2 3.44Å; Y223-F227 PolarHBondContact O-N 2.79Å; Y223-I228 HydrophobicContact CD1-CD1 4.43Å; Y223-I228 HydrophobicContact CE1-CD1 3.97Å; Y223-I228 HydrophobicContact CE1-CG1 4.34Å
224E90.8Very high92.7Very high2 Ų252.6 Ų52.61%0.00926%0.257CS..Hα-helixtrans-57.7-47.7177.5175.7170.7-159.600112.2Q112 T116 Y220 S221 V222 Y226 I228 I229Q112-E224 PolarHBondContact NE2-OE2 2.96Å; T116-E224 WeakPolarHBondContact CA-OE1 3.37Å; T116-E224 VanDerWaalsContact CB-OE1 3.24Å; T116-E224 WeakPolarHBondContact CB-OE1 3.29Å; T116-E224 HydrophobicContact CG2-CB 4.47Å; T116-E224 HydrophobicContact CG2-CG 3.81Å; T116-E224 WeakPolarHBondContact CG2-OE1 3.37Å; T116-E224 PolarHBondContact OG1-OE1 3.09Å; T116-E224 PolarHBondContact OG1-OE2 2.98Å; T116-E224 VanDerWaalsContact OG1-OE2 3.09Å; Y220-E224 WeakPolarHBondContact O-CB 3.5Å; Y220-E224 PolarHBondContact O-N 2.76Å; S221-E224 PolarHBondContact O-N 3.36Å; V222-E224 VanDerWaalsContact C-N 3.35Å; V222-E224 PolarHBondContact O-N 3.49Å; E224-Y226 PolarHBondContact O-N 2.89Å; E224-I228 WeakPolarHBondContact O-CA 3.34Å; E224-I228 WeakPolarHBondContact O-CB 3.49Å; E224-I228 PolarHBondContact O-N 2.83Å; E224-I228 VanDerWaalsContact O-N 3.08Å; E224-I229 HydrophobicContact CG-CD1 3.87Å; E224-I229 HydrophobicContact CG-CG1 4.4Å; E224-I229 PolarHBondContact O-N 2.85Å
225Q89.1Confident92.6Very high12 Ų1258.8 Ų58.86%0.05629%0.29CS..Iπ-helixtrans-55.4-53.7177.3-175.46871.300112.1N179 T180 S221 V222 Y223 N230 V248N179-Q225 PolarHBondContact ND2-NE2 2.82Å; T180-Q225 HydrophobicContact CG2-CB 3.76Å; T180-Q225 VanDerWaalsContact CG2-CD 3.41Å; T180-Q225 HydrophobicContact CG2-CG 4.17Å; T180-Q225 PolarHBondContact OG1-OE1 3.28Å; S221-Q225 PolarHBondContact O-N 3.48Å; V222-Q225 PolarHBondContact O-N 3.38Å; Y223-Q225 PolarHBondContact O-N 3.23Å; Q225-N230 PolarHBondContact NE2-OD1 3.4Å; Q225-N230 VanDerWaalsContact O-CB 3.29Å; Q225-N230 WeakPolarHBondContact O-CB 3.24Å; Q225-N230 PolarHBondContact O-N 3.06Å; Q225-N230 PolarHBondContact O-OD1 2.94Å; Q225-V248 VanDerWaalsContact CD-CG2 3.47Å; Q225-V248 HydrophobicContact CG-CG2 3.78Å
226Y88.6Confident92.5Very high131 Ų13155.7 Ų55.751%0.51428%0.275SS..Iπ-helixtrans-85.1-31.1-167.7-73.2-75.9000113.8V222 Y223 E224 P231V222-Y226 HydrophobicContact CG1-CD2 3.87Å; V222-Y226 HydrophobicContact CG1-CE2 4.03Å; V222-Y226 VanDerWaalsContact O-CD2 3.26Å; V222-Y226 WeakPolarHBondContact O-CD2 3.5Å; V222-Y226 PolarHBondContact O-N 3.21Å; Y223-Y226 PolarHBondContact O-N 2.98Å; E224-Y226 PolarHBondContact O-N 2.89Å; Y226-P231 WeakPolarHBondContact O-CD 3.49Å
227F89.4Confident92.5Very high143 Ų14352.7 Ų52.763%0.62726%0.259SS*.Iπ-helixtrans-108-15.1-172.7-63.5-81.7000114.3Y223Y223-F227 HydrophobicContact CD2-CB 4.09Å; Y223-F227 AromaticContact CD2-CD2 3.41Å; Y223-F227 HydrophobicContact CD2-CD2 3.41Å; Y223-F227 VanDerWaalsContact CD2-CD2 3.41Å; Y223-F227 HydrophobicContact CD2-CE2 4.09Å; Y223-F227 AromaticContact CD2-CG 3.95Å; Y223-F227 HydrophobicContact CD2-CG 3.95Å; Y223-F227 HydrophobicContact CE2-CB 3.8Å; Y223-F227 AromaticContact CE2-CD2 3.82Å; Y223-F227 HydrophobicContact CE2-CD2 3.82Å; Y223-F227 AromaticContact CE2-CG 3.86Å; Y223-F227 HydrophobicContact CE2-CG 3.86Å; Y223-F227 HydrophobicContact CG-CD2 4.2Å; Y223-F227 WeakPolarHBondContact O-CB 3.38Å; Y223-F227 WeakPolarHBondContact O-CD2 3.44Å; Y223-F227 PolarHBondContact O-N 2.79Å
228I89Confident92.4Very high50 Ų5059.7 Ų59.726%0.25629%0.292SS..Iπ-helixtrans-114.3-53.1-179.9-56.2179.9000110.1T116 Y223 E224T116-I228 HydrophobicContact CG2-CD1 3.37Å; T116-I228 HydrophobicContact CG2-CG2 4.35Å; Y223-I228 HydrophobicContact CD1-CD1 4.43Å; Y223-I228 HydrophobicContact CE1-CD1 3.97Å; Y223-I228 HydrophobicContact CE1-CG1 4.34Å; E224-I228 WeakPolarHBondContact O-CA 3.34Å; E224-I228 WeakPolarHBondContact O-CB 3.49Å; E224-I228 PolarHBondContact O-N 2.83Å; E224-I228 VanDerWaalsContact O-N 3.08Å
229I90.2Very high92.5Very high0 Ų061.2 Ų61.20%030%0.3CS..Iπ-helixtrans-84.5-54.1-170.1-67.5173.2000112.6N179 T180 E224 P231 A232 Y233 L247N179-I229 HydrophobicContact CB-CG2 4.35Å; T180-I229 HydrophobicContact CG2-CD1 3.37Å; E224-I229 HydrophobicContact CG-CD1 3.87Å; E224-I229 HydrophobicContact CG-CG1 4.4Å; E224-I229 PolarHBondContact O-N 2.85Å; I229-P231 VanDerWaalsContact C-CD 3.45Å; I229-A232 WeakPolarHBondContact O-CB 3.37Å; I229-A232 PolarHBondContact O-N 2.96Å; I229-A232 VanDerWaalsContact O-N 3.16Å; I229-Y233 HydrophobicContact CG2-CE2 4.27Å; I229-Y233 WeakPolarHBondContact O-CD2 3.44Å; I229-L247 HydrophobicContact CG2-CD2 4.07Å
230N89.9Confident92.6Very high19 Ų1959.1 Ų59.110%0.10229%0.286CS..G310 helixtrans-55-42.2-178.5-76.9-3.9000113.8Q225 A232 Y233Q225-N230 PolarHBondContact NE2-OD1 3.4Å; Q225-N230 VanDerWaalsContact O-CB 3.29Å; Q225-N230 WeakPolarHBondContact O-CB 3.24Å; Q225-N230 PolarHBondContact O-N 3.06Å; Q225-N230 PolarHBondContact O-OD1 2.94Å; N230-A232 PolarHBondContact O-N 3.31Å; N230-Y233 PolarHBondContact O-N 3.29Å; N230-Y233 VanDerWaalsContact O-N 3.08Å
231P91.9Very high92.7Very high65 Ų6557.8 Ų57.842%0.42228%0.281SS..G310 helixtrans-54.9-36.6179.3-29.938.7000113.6Y226 I229 Y233 T234Y226-P231 WeakPolarHBondContact O-CD 3.49Å; I229-P231 VanDerWaalsContact C-CD 3.45Å; P231-Y233 PolarHBondContact O-N 2.66Å; P231-Y233 VanDerWaalsContact O-N 3.11Å; P231-T234 WeakPolarHBondContact CA-OG1 3.44Å; P231-T234 WeakPolarHBondContact O-CB 3.36Å; P231-T234 PolarHBondContact O-N 2.93Å; P231-T234 PolarHBondContact O-OG1 3.06Å
232A92.9Very high92.8Very high29 Ų2961.1 Ų61.124%0.2430%0.303CS..G310 helixtrans-60-23.3-179.500000114H123 M124 A127 I229 N230H123-A232 HydrophobicContact CB-CB 4.1Å; M124-A232 HydrophobicContact CG-CB 4.12Å; A127-A232 WeakPolarHBondContact CB-O 3.47Å; I229-A232 WeakPolarHBondContact O-CB 3.37Å; I229-A232 PolarHBondContact O-N 2.96Å; I229-A232 VanDerWaalsContact O-N 3.16Å; N230-A232 PolarHBondContact O-N 3.31Å
233Y94.2Very high92.9Very high0 Ų065.3 Ų65.30%033%0.331CS..G310 helixtrans-104.8-1.8-177.4-62.1-86.1000114H123 L126 A127 P158 I162 I229 N230 P231 D235 L236 F237 L247H123-Y233 HydrophobicContact CB-CE2 3.92Å; H123-Y233 AromaticContact ND1-CE2 3.56Å; H123-Y233 AromaticContact ND1-CZ 3.62Å; H123-Y233 PolarHBondContact ND1-OH 3.4Å; H123-Y233 PolarHBondContact O-OH 2.9Å; L126-Y233 WeakPolarHBondContact CB-OH 3.3Å; A127-Y233 HydrophobicContact CB-CD1 3.62Å; A127-Y233 HydrophobicContact CB-CE1 3.6Å; A127-Y233 HydrophobicContact CB-CG 4.26Å; P158-Y233 HydrophobicContact CG-CE1 3.81Å; P158-Y233 HydrophobicContact CG-CE2 4.4Å; P158-Y233 WeakPolarHBondContact CG-OH 3.43Å; I162-Y233 HydrophobicContact CD1-CD1 3.79Å; I162-Y233 HydrophobicContact CD1-CE1 3.79Å; I229-Y233 HydrophobicContact CG2-CE2 4.27Å; I229-Y233 WeakPolarHBondContact O-CD2 3.44Å; N230-Y233 PolarHBondContact O-N 3.29Å; N230-Y233 VanDerWaalsContact O-N 3.08Å; P231-Y233 PolarHBondContact O-N 2.66Å; P231-Y233 VanDerWaalsContact O-N 3.11Å; Y233-D235 PolarHBondContact O-N 3.12Å; Y233-L236 HydrophobicContact CD1-CD2 4.24Å; Y233-L236 WeakPolarHBondContact O-CB 3.32Å; Y233-L236 PolarHBondContact O-N 2.96Å; Y233-F237 HydrophobicContact CD1-CZ 4.26Å; Y233-F237 HydrophobicContact CG-CE2 4.2Å; Y233-F237 HydrophobicContact CG-CZ 4.12Å; Y233-F237 WeakPolarHBondContact O-CD2 3.37Å; Y233-F237 WeakPolarHBondContact O-CG 3.24Å; Y233-F237 PolarHBondContact O-N 3.38Å; Y233-L247 HydrophobicContact CD2-CD2 3.76Å; Y233-L247 HydrophobicContact CE2-CD2 3.67Å; Y233-L247 HydrophobicContact CG-CD2 4.39Å
234T93.4Very high92.5Very high59 Ų5963.2 Ų63.236%0.36235%0.346SS..Hα-helixtrans-57.1-52.9-171.7-55.90000112.2P231 L236 F237 Q238P231-T234 WeakPolarHBondContact CA-OG1 3.44Å; P231-T234 WeakPolarHBondContact O-CB 3.36Å; P231-T234 PolarHBondContact O-N 2.93Å; P231-T234 PolarHBondContact O-OG1 3.06Å; T234-L236 VanDerWaalsContact C-N 3.3Å; T234-L236 PolarHBondContact O-N 2.91Å; T234-F237 PolarHBondContact O-N 3.48Å; T234-Q238 WeakPolarHBondContact O-CG 3.21Å; T234-Q238 PolarHBondContact O-N 3.28Å
235D94.4Very high92.6Very high131 Ų13164.6 Ų64.670%0.70136%0.355SS*.Hα-helixtrans-63.7-38.2-178.3-65.5-12.8000111.7Y233 K239Y233-D235 PolarHBondContact O-N 3.12Å; D235-K239 VanDerWaalsContact O-CB 3.32Å; D235-K239 WeakPolarHBondContact O-CB 3.34Å; D235-K239 PolarHBondContact O-N 3.33Å; D235-K239 VanDerWaalsContact O-N 3.08Å
236L95.9Very high92.6Very high16 Ų1666.8 Ų66.88%0.08437%0.367CS..Hα-helixtrans-62.4-47.4177.2-175.775.7000110.6A130 G131 L134 I162 Y233 T234 K239 Y240A130-L236 HydrophobicContact CB-CD2 3.85Å; G131-L236 VanDerWaalsContact CA-CD1 3.42Å; L134-L236 HydrophobicContact CD1-CD1 4.46Å; I162-L236 HydrophobicContact CD1-CD2 3.97Å; I162-L236 HydrophobicContact CG2-CD2 4.23Å; Y233-L236 HydrophobicContact CD1-CD2 4.24Å; Y233-L236 WeakPolarHBondContact O-CB 3.32Å; Y233-L236 PolarHBondContact O-N 2.96Å; T234-L236 VanDerWaalsContact C-N 3.3Å; T234-L236 PolarHBondContact O-N 2.91Å; L236-K239 PolarHBondContact O-N 2.86Å; L236-Y240 HydrophobicContact CD1-CD2 3.63Å; L236-Y240 HydrophobicContact CD1-CE2 3.77Å; L236-Y240 HydrophobicContact CG-CD2 4.23Å; L236-Y240 WeakPolarHBondContact O-CD2 3.15Å; L236-Y240 PolarHBondContact O-N 2.83Å; L236-Y240 VanDerWaalsContact O-N 3.08Å
237F96.4Very high92.7Very high11 Ų1160.6 Ų60.65%0.04834%0.343CS..Hα-helixtrans-70-40-179.1-63.7-27000112.8I162 Y233 T234 K239 Y240 F241 L247 L250I162-F237 HydrophobicContact CD1-CE1 4.16Å; I162-F237 HydrophobicContact CD1-CZ 4.36Å; I162-F237 HydrophobicContact CG1-CE1 3.97Å; I162-F237 HydrophobicContact CG1-CZ 4.28Å; Y233-F237 HydrophobicContact CD1-CZ 4.26Å; Y233-F237 HydrophobicContact CG-CE2 4.2Å; Y233-F237 HydrophobicContact CG-CZ 4.12Å; Y233-F237 WeakPolarHBondContact O-CD2 3.37Å; Y233-F237 WeakPolarHBondContact O-CG 3.24Å; Y233-F237 PolarHBondContact O-N 3.38Å; T234-F237 PolarHBondContact O-N 3.48Å; F237-K239 PolarHBondContact O-N 2.73Å; F237-Y240 PolarHBondContact O-N 3Å; F237-F241 AromaticContact CD1-CD2 3.7Å; F237-F241 HydrophobicContact CD1-CD2 3.7Å; F237-F241 AromaticContact CD1-CE2 3.93Å; F237-F241 HydrophobicContact CD1-CE2 3.93Å; F237-F241 HydrophobicContact CD1-CG 4.38Å; F237-F241 HydrophobicContact CE1-CD2 4.47Å; F237-F241 HydrophobicContact CE1-CE2 4.3Å; F237-F241 WeakPolarHBondContact O-CA 3.43Å; F237-F241 WeakPolarHBondContact O-CB 3.42Å; F237-F241 PolarHBondContact O-N 3.44Å; F237-L247 HydrophobicContact CE2-CB 3.83Å; F237-L247 VanDerWaalsContact CE2-N 3.26Å; F237-L247 HydrophobicContact CZ-CB 4.04Å; F237-L247 HydrophobicContact CZ-CD1 4.18Å; F237-L250 HydrophobicContact CD1-CD1 4.19Å; F237-L250 HydrophobicContact CE1-CD1 3.56Å; F237-L250 HydrophobicContact CZ-CD1 3.81Å
238Q95.6Very high92.7Very high150 Ų15054.8 Ų54.870%0.70132%0.319SS*.Hα-helixtrans-60.5-34.6173.8-72.3-179.8700112.5T234T234-Q238 WeakPolarHBondContact O-CG 3.21Å; T234-Q238 PolarHBondContact O-N 3.28Å
239K96.6Very high92.7Very high130 Ų13054.7 Ų54.757%0.56532%0.323SS*.Hα-helixtrans-76.5-38.3-179.5-173.1173.3179.1-172.50113.2E135 D235 L236 F237E135-K239 IonicContact OE1-NZ 2.73Å; E135-K239 PolarHBondContact OE1-NZ 3.33Å; D235-K239 VanDerWaalsContact O-CB 3.32Å; D235-K239 WeakPolarHBondContact O-CB 3.34Å; D235-K239 PolarHBondContact O-N 3.33Å; D235-K239 VanDerWaalsContact O-N 3.08Å; L236-K239 PolarHBondContact O-N 2.86Å; F237-K239 PolarHBondContact O-N 2.73Å
240Y96.7Very high92.8Very high49 Ų4955.4 Ų55.419%0.19233%0.326CS..Hα-helixtrans-117.5-10.9-165.8-65.3-63.4000115.7L134 E135 Y166 L236 F237L134-Y240 HydrophobicContact CB-CE2 4.46Å; L134-Y240 HydrophobicContact CD1-CD2 3.85Å; L134-Y240 HydrophobicContact CD1-CE2 4.41Å; L134-Y240 HydrophobicContact CD1-CG 3.91Å; E135-Y240 WeakPolarHBondContact CG-OH 3.39Å; E135-Y240 PolarHBondContact OE1-OH 2.76Å; Y166-Y240 HydrophobicContact CE2-CD1 4Å; Y166-Y240 HydrophobicContact CE2-CG 4.3Å; L236-Y240 HydrophobicContact CD1-CD2 3.63Å; L236-Y240 HydrophobicContact CD1-CE2 3.77Å; L236-Y240 HydrophobicContact CG-CD2 4.23Å; L236-Y240 WeakPolarHBondContact O-CD2 3.15Å; L236-Y240 PolarHBondContact O-N 2.83Å; L236-Y240 VanDerWaalsContact O-N 3.08Å; F237-Y240 PolarHBondContact O-N 3Å
241F96.4Very high92.9Very high24 Ų2454.5 Ų54.511%0.10532%0.321CS..SBendtrans-128.1160.8-173.6-67.4-96.8000112.1L134 I162 Y166 F237 T245 L250L134-F241 HydrophobicContact CD1-CE2 4.45Å; I162-F241 HydrophobicContact CG2-CE2 3.97Å; I162-F241 HydrophobicContact CG2-CZ 3.86Å; I162-F241 WeakPolarHBondContact O-CZ 3.17Å; Y166-F241 HydrophobicContact CD2-CE2 4.43Å; Y166-F241 HydrophobicContact CD2-CZ 4.3Å; F237-F241 AromaticContact CD1-CD2 3.7Å; F237-F241 HydrophobicContact CD1-CD2 3.7Å; F237-F241 AromaticContact CD1-CE2 3.93Å; F237-F241 HydrophobicContact CD1-CE2 3.93Å; F237-F241 HydrophobicContact CD1-CG 4.38Å; F237-F241 HydrophobicContact CE1-CD2 4.47Å; F237-F241 HydrophobicContact CE1-CE2 4.3Å; F237-F241 WeakPolarHBondContact O-CA 3.43Å; F237-F241 WeakPolarHBondContact O-CB 3.42Å; F237-F241 PolarHBondContact O-N 3.44Å; F241-T245 HydrophobicContact CB-CG2 3.87Å; F241-T245 HydrophobicContact CD1-CG2 4.12Å; F241-T245 HydrophobicContact CG-CG2 4.12Å; F241-L250 HydrophobicContact CD1-CD1 4.33Å; F241-L250 HydrophobicContact CD1-CD2 4.14Å; F241-L250 HydrophobicContact CE1-CD1 3.99Å; F241-L250 HydrophobicContact CE1-CD2 3.94Å; F241-L250 HydrophobicContact CZ-CD1 4.17Å
242P93.9Very high92.9Very high92 Ų9252.3 Ų52.360%0.59731%0.306SS*.  trans-57.7149.5174.9-24.935.3000112.8G244 T245P242-G244 PolarHBondContact O-N 2.91Å; P242-T245 WeakPolarHBondContact O-CB 3.32Å; P242-T245 PolarHBondContact O-N 2.81Å; P242-T245 VanDerWaalsContact O-N 3.16Å; P242-T245 PolarHBondContact O-OG1 2.9Å
243P92.4Very high92.8Very high138 Ų13852.4 Ų52.490%0.89631%0.305SS*.THydrogen-bonded Turntrans-53135.9175.5-26.434.7000112.4
244G85.8Confident92.9Very high77 Ų7752.4 Ų52.479%0.79431%0.305SS*.THydrogen-bonded Turntrans87.91.1-177.600000115P242P242-G244 PolarHBondContact O-N 2.91Å
245T91Very high93.1Very high31 Ų3150.4 Ų50.419%0.1929%0.292CS..  trans-71.4127170.6-53.80000110.3F241 P242 L250F241-T245 HydrophobicContact CB-CG2 3.87Å; F241-T245 HydrophobicContact CD1-CG2 4.12Å; F241-T245 HydrophobicContact CG-CG2 4.12Å; P242-T245 WeakPolarHBondContact O-CB 3.32Å; P242-T245 PolarHBondContact O-N 2.81Å; P242-T245 VanDerWaalsContact O-N 3.16Å; P242-T245 PolarHBondContact O-OG1 2.9Å; T245-L250 HydrophobicContact CG2-CD1 3.88Å; T245-L250 HydrophobicContact CG2-CD2 3.88Å; T245-L250 HydrophobicContact CG2-CG 3.65Å
246D89.6Confident93.3Very high57 Ų5744.1 Ų44.131%0.30526%0.259SS..  trans-126173168.166.739.3000111.2V248 S249 L250D246-V248 VanDerWaalsContact C-N 3.33Å; D246-V248 PolarHBondContact O-N 2.9Å; D246-V248 PolarHBondContact OD1-N 3.42Å; D246-V248 VanDerWaalsContact OD1-N 3.12Å; D246-S249 PolarHBondContact N-OG 3.13Å; D246-S249 VanDerWaalsContact N-OG 3.07Å; D246-S249 PolarHBondContact O-N 2.67Å; D246-S249 PolarHBondContact O-OG 2.92Å; D246-S249 WeakPolarHBondContact OD1-CB 3.4Å; D246-S249 PolarHBondContact OD1-N 3.21Å; D246-S249 PolarHBondContact OD1-OG 3.26Å; D246-L250 PolarHBondContact O-N 2.96Å
247L90.6Very high93.4Very high1 Ų143.4 Ų43.41%0.00526%0.255CS..Hα-helixtrans-64.6-40.1-174.3-178.751.5000111.6P158 N179 I229 Y233 F237 S249 L250 E251P158-L247 HydrophobicContact CB-CD1 3.61Å; P158-L247 HydrophobicContact CB-CD2 4.13Å; P158-L247 HydrophobicContact CG-CD2 4.39Å; N179-L247 WeakPolarHBondContact ND2-CD2 3.23Å; I229-L247 HydrophobicContact CG2-CD2 4.07Å; Y233-L247 HydrophobicContact CD2-CD2 3.76Å; Y233-L247 HydrophobicContact CE2-CD2 3.67Å; Y233-L247 HydrophobicContact CG-CD2 4.39Å; F237-L247 HydrophobicContact CE2-CB 3.83Å; F237-L247 VanDerWaalsContact CE2-N 3.26Å; F237-L247 HydrophobicContact CZ-CB 4.04Å; F237-L247 HydrophobicContact CZ-CD1 4.18Å; L247-S249 VanDerWaalsContact C-N 3.35Å; L247-S249 PolarHBondContact O-N 3.03Å; L247-L250 PolarHBondContact O-N 2.84Å; L247-E251 HydrophobicContact CD1-CG 4.31Å; L247-E251 WeakPolarHBondContact O-CG 3.41Å; L247-E251 PolarHBondContact O-N 3.47Å
248V90.2Very high93.5Very high22 Ų2242.9 Ų42.913%0.13325%0.252CS..Hα-helixtrans-63-42.9179.2178.60000110.7T186 Q225 D246 L250 E251 L252T186-V248 HydrophobicContact CG2-CG1 4.25Å; Q225-V248 VanDerWaalsContact CD-CG2 3.47Å; Q225-V248 HydrophobicContact CG-CG2 3.78Å; D246-V248 VanDerWaalsContact C-N 3.33Å; D246-V248 PolarHBondContact O-N 2.9Å; D246-V248 PolarHBondContact OD1-N 3.42Å; D246-V248 VanDerWaalsContact OD1-N 3.12Å; V248-L250 VanDerWaalsContact C-N 3.3Å; V248-L250 PolarHBondContact O-N 3.29Å; V248-E251 PolarHBondContact O-N 3.43Å; V248-L252 HydrophobicContact CG1-CD1 3.86Å; V248-L252 HydrophobicContact CG1-CG 4.35Å; V248-L252 WeakPolarHBondContact O-CB 3.44Å; V248-L252 VanDerWaalsContact O-CG 3.31Å; V248-L252 WeakPolarHBondContact O-CG 3.44Å; V248-L252 PolarHBondContact O-N 2.93Å
249S89.4Confident93.5Very high48 Ų4835.7 Ų35.734%0.33622%0.219SC..Hα-helixtrans-63-36.5177.974.60000112.2D246 L247 S253D246-S249 PolarHBondContact N-OG 3.13Å; D246-S249 VanDerWaalsContact N-OG 3.07Å; D246-S249 PolarHBondContact O-N 2.67Å; D246-S249 PolarHBondContact O-OG 2.92Å; D246-S249 WeakPolarHBondContact OD1-CB 3.4Å; D246-S249 PolarHBondContact OD1-N 3.21Å; D246-S249 PolarHBondContact OD1-OG 3.26Å; L247-S249 VanDerWaalsContact C-N 3.35Å; L247-S249 PolarHBondContact O-N 3.03Å; S249-S253 PolarHBondContact O-N 3.27Å
250L91.4Very high93.5Very high14 Ų1430.1 Ų30.17%0.07319%0.194CC..Hα-helixtrans-71.5-41.9173.9-71.9177000111.5V161 Y173 F237 F241 T245 D246 L247 V248 L252 S253V161-L250 HydrophobicContact CG1-CB 3.86Å; Y173-L250 PolarHBondContact OH-O 2.94Å; F237-L250 HydrophobicContact CD1-CD1 4.19Å; F237-L250 HydrophobicContact CE1-CD1 3.56Å; F237-L250 HydrophobicContact CZ-CD1 3.81Å; F241-L250 HydrophobicContact CD1-CD1 4.33Å; F241-L250 HydrophobicContact CD1-CD2 4.14Å; F241-L250 HydrophobicContact CE1-CD1 3.99Å; F241-L250 HydrophobicContact CE1-CD2 3.94Å; F241-L250 HydrophobicContact CZ-CD1 4.17Å; T245-L250 HydrophobicContact CG2-CD1 3.88Å; T245-L250 HydrophobicContact CG2-CD2 3.88Å; T245-L250 HydrophobicContact CG2-CG 3.65Å; D246-L250 PolarHBondContact O-N 2.96Å; L247-L250 PolarHBondContact O-N 2.84Å; V248-L250 VanDerWaalsContact C-N 3.3Å; V248-L250 PolarHBondContact O-N 3.29Å; L250-L252 PolarHBondContact O-N 2.8Å; L250-S253 VanDerWaalsContact O-CB 3.32Å; L250-S253 WeakPolarHBondContact O-CB 3.37Å; L250-S253 PolarHBondContact O-N 3.2Å; L250-S253 VanDerWaalsContact O-N 3.11Å; L250-S253 PolarHBondContact O-OG 3.39Å
251E92.6Very high93.4Very high0 Ų027.8 Ų27.80%019%0.185CC..Hα-helixtrans-58.4-49.6175.9-74.5167.1175.600111V161 Y173 N179 L247 V248 S253 A254 W257V161-E251 HydrophobicContact CG1-CG 4.06Å; V161-E251 HydrophobicContact CG2-CG 4.48Å; Y173-E251 VanDerWaalsContact CE2-O 3.22Å; Y173-E251 WeakPolarHBondContact CE2-O 3.06Å; Y173-E251 WeakPolarHBondContact OH-CA 3.28Å; Y173-E251 PolarHBondContact OH-O 3.47Å; N179-E251 PolarHBondContact ND2-OE1 3.21Å; N179-E251 PolarHBondContact OD1-OE1 3.42Å; L247-E251 HydrophobicContact CD1-CG 4.31Å; L247-E251 WeakPolarHBondContact O-CG 3.41Å; L247-E251 PolarHBondContact O-N 3.47Å; V248-E251 PolarHBondContact O-N 3.43Å; E251-S253 PolarHBondContact O-N 2.91Å; E251-A254 PolarHBondContact O-N 3.14Å; E251-W257 WeakPolarHBondContact O-CZ2 3.47Å
252L92.3Very high93.4Very high20 Ų2027.6 Ų27.611%0.10519%0.185CC..THydrogen-bonded Turntrans-66.1-6.8177.9-69173.4000114.3T186 I187 V248 L250 A254 F482T186-L252 HydrophobicContact CG2-CD2 4.04Å; T186-L252 HydrophobicContact CG2-CG 4.33Å; I187-L252 HydrophobicContact CB-CD2 4.11Å; I187-L252 HydrophobicContact CG1-CD2 4.28Å; V248-L252 HydrophobicContact CG1-CD1 3.86Å; V248-L252 HydrophobicContact CG1-CG 4.35Å; V248-L252 WeakPolarHBondContact O-CB 3.44Å; V248-L252 VanDerWaalsContact O-CG 3.31Å; V248-L252 WeakPolarHBondContact O-CG 3.44Å; V248-L252 PolarHBondContact O-N 2.93Å; L250-L252 PolarHBondContact O-N 2.8Å; L252-A254 VanDerWaalsContact C-N 3.33Å; L252-F482 HydrophobicContact CD1-CB 4.16Å; L252-F482 HydrophobicContact CD1-CD1 3.85Å; L252-F482 HydrophobicContact CD1-CG 4.11Å; L252-F482 HydrophobicContact CD2-CD1 3.93Å; L252-F482 HydrophobicContact CD2-CE1 3.93Å; L252-F482 HydrophobicContact CD2-CG 4.32Å; L252-F482 HydrophobicContact CD2-CZ 4.32Å; L252-F482 HydrophobicContact CG-CD1 4.48Å
253S90.6Very high93.5Very high31 Ų3127 Ų2722%0.21717%0.174CC..THydrogen-bonded Turntrans-79.6-13.3179.478.30000114.1M171 S249 L250 E251M171-S253 WeakPolarHBondContact CE-OG 3.27Å; S249-S253 PolarHBondContact O-N 3.27Å; L250-S253 VanDerWaalsContact O-CB 3.32Å; L250-S253 WeakPolarHBondContact O-CB 3.37Å; L250-S253 PolarHBondContact O-N 3.2Å; L250-S253 VanDerWaalsContact O-N 3.11Å; L250-S253 PolarHBondContact O-OG 3.39Å; E251-S253 PolarHBondContact O-N 2.91Å
254A95.4Very high93.6Very high0 Ų021.7 Ų21.70%014%0.138CC..  trans-62.5144179.800000114M171 Y173 E251 L252M171-A254 HydrophobicContact CB-CB 4.01Å; Y173-A254 HydrophobicContact CD1-CB 4.02Å; Y173-A254 HydrophobicContact CD2-CB 3.8Å; Y173-A254 HydrophobicContact CE1-CB 3.7Å; Y173-A254 HydrophobicContact CE2-CB 3.45Å; Y173-A254 VanDerWaalsContact CE2-CB 3.45Å; Y173-A254 HydrophobicContact CG-CB 4.06Å; E251-A254 PolarHBondContact O-N 3.14Å; L252-A254 VanDerWaalsContact C-N 3.33Å
255D97.6Very high94.1Very high16 Ų1618 Ų189%0.08610%0.101CC..SBendtrans-74.1-43.3-177.2-66.6-76.9000111.7P170 M171 N274 V468 G473 A474P170-D255 WeakPolarHBondContact CA-OD2 3.36Å; P170-D255 WeakPolarHBondContact CB-OD2 3.11Å; M171-D255 PolarHBondContact N-OD2 3.14Å; M171-D255 WeakPolarHBondContact O-CB 3.38Å; M171-D255 PolarHBondContact O-N 3.02Å; D255-N274 VanDerWaalsContact O-CB 3.32Å; D255-N274 WeakPolarHBondContact O-CB 3.5Å; D255-V468 HydrophobicContact CB-CG1 4.02Å; D255-V468 HydrophobicContact CB-CG2 3.88Å; D255-G473 VanDerWaalsContact OD1-CA 3.27Å; D255-G473 WeakPolarHBondContact OD1-CA 3.38Å; D255-A474 HydrophobicContact CB-CB 3.94Å; D255-A474 PolarHBondContact OD1-N 3.24Å
256I98.2Very high94.3Very high0 Ų016.6 Ų16.60%09%0.092CC..EExtended strand (participates in β ladder)trans-138.5136.5178.1-65.1-66.8000110.7M171 V172 Y173 L258 N274 V276 W464 V468 A474 L477M171-I256 PolarHBondContact O-N 3.37Å; V172-I256 WeakPolarHBondContact CA-O 3.23Å; V172-I256 HydrophobicContact CG1-CB 4.44Å; V172-I256 HydrophobicContact CG1-CG2 4.48Å; V172-I256 HydrophobicContact CG2-CB 4.28Å; Y173-I256 PolarHBondContact N-O 3.34Å; I256-L258 HydrophobicContact CG2-CD2 3.73Å; I256-L258 HydrophobicContact CG2-CG 4.11Å; I256-N274 WeakPolarHBondContact CA-O 3.38Å; I256-N274 HydrophobicContact CD1-CB 4.25Å; I256-V276 HydrophobicContact CD1-CG2 4.41Å; I256-V276 HydrophobicContact CG2-CB 4.38Å; I256-V276 HydrophobicContact CG2-CG2 3.85Å; I256-W464 HydrophobicContact CD1-CD2 4.16Å; I256-W464 HydrophobicContact CD1-CE3 3.45Å; I256-W464 VanDerWaalsContact CD1-CE3 3.45Å; I256-W464 HydrophobicContact CD1-CZ3 3.71Å; I256-W464 HydrophobicContact CG1-CE3 3.98Å; I256-W464 HydrophobicContact CG2-CB 4.2Å; I256-V468 HydrophobicContact CB-CG2 4.23Å; I256-V468 HydrophobicContact CG1-CG2 3.52Å; I256-A474 HydrophobicContact CD1-CB 4.4Å; I256-A474 HydrophobicContact CG1-CB 4.43Å; I256-L477 HydrophobicContact CD1-CD1 3.9Å
257W98Very high94.6Very high0 Ų014.4 Ų14.40%08%0.079CC..EExtended strand (participates in β ladder)trans-104.196.9171.3-6957.1000108.2Y173 V175 I178 I187 E251 F259 N274 M275 V276Y173-W257 AromaticContact CD2-CD2 3.8Å; Y173-W257 HydrophobicContact CD2-CD2 3.8Å; Y173-W257 AromaticContact CD2-CE2 3.63Å; Y173-W257 HydrophobicContact CD2-CE3 4.14Å; Y173-W257 HydrophobicContact CD2-CG 4.31Å; Y173-W257 HydrophobicContact CD2-CH2 4.18Å; Y173-W257 AromaticContact CD2-CZ2 3.86Å; Y173-W257 HydrophobicContact CD2-CZ2 3.86Å; Y173-W257 HydrophobicContact CD2-CZ3 4.3Å; Y173-W257 HydrophobicContact CE2-CD2 4.42Å; Y173-W257 AromaticContact CE2-CE2 3.79Å; Y173-W257 HydrophobicContact CE2-CH2 4.1Å; Y173-W257 AromaticContact CE2-CZ2 3.64Å; Y173-W257 HydrophobicContact CE2-CZ2 3.64Å; V175-W257 HydrophobicContact CB-CE3 4.37Å; V175-W257 HydrophobicContact CG1-CB 3.9Å; V175-W257 HydrophobicContact CG1-CD2 4.28Å; V175-W257 HydrophobicContact CG1-CE3 3.75Å; V175-W257 HydrophobicContact CG1-CG 4.4Å; V175-W257 HydrophobicContact CG2-CE3 3.93Å; V175-W257 HydrophobicContact CG2-CZ3 4.02Å; I178-W257 HydrophobicContact CG2-CH2 4.22Å; I178-W257 HydrophobicContact CG2-CZ3 3.96Å; I187-W257 HydrophobicContact CB-CZ2 4.38Å; I187-W257 VanDerWaalsContact CD1-CD1 3.42Å; I187-W257 HydrophobicContact CD1-CD2 3.81Å; I187-W257 HydrophobicContact CD1-CG 3.77Å; I187-W257 HydrophobicContact CD1-CZ2 4.18Å; I187-W257 VanDerWaalsContact CD1-NE1 3.3Å; I187-W257 HydrophobicContact CG2-CD2 4.24Å; I187-W257 HydrophobicContact CG2-CE3 4.09Å; I187-W257 HydrophobicContact CG2-CZ3 4.35Å; E251-W257 WeakPolarHBondContact O-CZ2 3.47Å; W257-F259 VanDerWaalsContact C-N 3.26Å; W257-F259 PolarHBondContact O-N 2.75Å; W257-N274 PolarHBondContact N-O 3.18Å; W257-M275 HydrophobicContact CB-CE 4.02Å; W257-M275 HydrophobicContact CD2-CE 4.43Å; W257-M275 HydrophobicContact CE3-CE 4.04Å; W257-M275 HydrophobicContact CG-CE 4.46Å; W257-V276 PolarHBondContact O-N 3.13Å
258L98.4Very high94.8Very high0 Ų018.2 Ų18.20%010%0.104CC..EExtended strand (participates in β ladder)trans-73.689.5170-57.1176.7000108.1V172 Y173 V175 I256 R260 V276 I278 A461 W464 I465V172-L258 HydrophobicContact CG1-CD1 3.65Å; V172-L258 HydrophobicContact CG1-CG 3.71Å; Y173-L258 WeakPolarHBondContact O-CA 3.46Å; Y173-L258 WeakPolarHBondContact O-CB 3.49Å; Y173-L258 PolarHBondContact O-N 2.68Å; V175-L258 PolarHBondContact N-O 3.04Å; I256-L258 HydrophobicContact CG2-CD2 3.73Å; I256-L258 HydrophobicContact CG2-CG 4.11Å; L258-R260 PolarHBondContact O-N 3.35Å; L258-V276 CarbonylContact C-O 3.59Å; L258-V276 WeakPolarHBondContact CA-O 3.5Å; L258-V276 HydrophobicContact CD2-CB 4.07Å; L258-V276 HydrophobicContact CD2-CG1 4.18Å; L258-I278 HydrophobicContact CB-CD1 3.65Å; L258-I278 HydrophobicContact CB-CG1 4.09Å; L258-I278 HydrophobicContact CD1-CD1 4.5Å; L258-I278 HydrophobicContact CD2-CG2 4.37Å; L258-A461 HydrophobicContact CD1-CB 4.11Å; L258-A461 HydrophobicContact CD2-CB 4.5Å; L258-W464 HydrophobicContact CD2-CB 3.98Å; L258-I465 HydrophobicContact CD1-CD1 3.77Å; L258-I465 HydrophobicContact CD1-CG1 3.81Å
259F97.3Very high95Very high0 Ų018.3 Ų18.30%010%0.102CC..EExtended strand (participates in β ladder)trans-80117.1-172.9-165.3-106.3000109.6V175 E182 H184 W257 A261 M275 V276 Y277 I278V175-F259 HydrophobicContact CG1-CD2 4.24Å; V175-F259 CarbonylContact O-C 3.58Å; V175-F259 VanDerWaalsContact O-CA 3.29Å; V175-F259 WeakPolarHBondContact O-CA 3.39Å; E182-F259 HydrophobicContact CG-CZ 4.11Å; E182-F259 WeakPolarHBondContact OE1-CE2 3.46Å; E182-F259 WeakPolarHBondContact OE1-CZ 3.32Å; H184-F259 HydrophobicContact CB-CE2 4.33Å; H184-F259 HydrophobicContact CB-CZ 4.3Å; W257-F259 VanDerWaalsContact C-N 3.26Å; W257-F259 PolarHBondContact O-N 2.75Å; F259-A261 HydrophobicContact CD1-CB 3.57Å; F259-A261 HydrophobicContact CE1-CB 3.29Å; F259-A261 HydrophobicContact CZ-CB 4.29Å; F259-A261 PolarHBondContact O-N 3.19Å; F259-M275 HydrophobicContact CB-CE 4.23Å; F259-M275 HydrophobicContact CB-CG 3.95Å; F259-M275 HydrophobicContact CB-SD 4.36Å; F259-M275 HydrophobicContact CD2-CE 3.77Å; F259-M275 HydrophobicContact CD2-SD 4.43Å; F259-M275 HydrophobicContact CG-CE 4.08Å; F259-M275 HydrophobicContact CG-CG 4.44Å; F259-M275 HydrophobicContact CG-SD 4.22Å; F259-V276 PolarHBondContact N-O 3.23Å; F259-Y277 HydrophobicContact CB-CD1 4.5Å; F259-Y277 AromaticContact CD1-CD1 3.7Å; F259-Y277 HydrophobicContact CD1-CD1 3.7Å; F259-Y277 AromaticContact CD1-CE1 3.59Å; F259-Y277 HydrophobicContact CD1-CE1 3.59Å; F259-Y277 HydrophobicContact CE1-CE1 4.19Å; F259-Y277 HydrophobicContact CG-CE1 4.47Å; F259-I278 WeakPolarHBondContact O-CG1 3.44Å; F259-I278 PolarHBondContact O-N 3.44Å
260R95.6Very high95.3Very high12 Ų1218.3 Ų18.35%0.04510%0.101CC..SBendtrans-75.553-177.7-57.9-170.2-77.6146.2-8.9111.7H36 D154 N174 V175 R176 L258 I278 F281H36-R260 PolarHBondContact CE1-NH2 2.91Å; H36-R260 PolarHBondContact ND1-NH2 2.89Å; D154-R260 IonicContact OD2-NH2 2.9Å; N174-R260 VanDerWaalsContact OD1-CD 3.29Å; N174-R260 WeakPolarHBondContact OD1-CD 3.15Å; N174-R260 WeakPolarHBondContact OD1-CG 3.44Å; V175-R260 PolarHBondContact O-N 3.25Å; R176-R260 HydrophobicContact CB-CB 4.26Å; L258-R260 PolarHBondContact O-N 3.35Å; R260-I278 HydrophobicContact CG-CD1 4.46Å; R260-F281 HydrophobicContact CG-CE1 3.86Å
261A95.4Very high95.5Very high0 Ų020.7 Ų20.70%012%0.117CC..  trans-148.3171.7171.400000112.8F259 E266 Y277 I278 G279 Y382F259-A261 HydrophobicContact CD1-CB 3.57Å; F259-A261 HydrophobicContact CE1-CB 3.29Å; F259-A261 HydrophobicContact CZ-CB 4.29Å; F259-A261 PolarHBondContact O-N 3.19Å; A261-E266 HydrophobicContact CB-CG 3.74Å; A261-Y277 CarbonylContact O-C 3.59Å; A261-Y277 WeakPolarHBondContact O-CA 3.44Å; A261-Y277 VanDerWaalsContact O-CB 3.25Å; A261-Y277 WeakPolarHBondContact O-CB 3.21Å; A261-Y277 WeakPolarHBondContact O-CD1 2.76Å; A261-I278 PolarHBondContact O-N 3.46Å; A261-G279 VanDerWaalsContact C-CA 3.46Å; A261-G279 WeakPolarHBondContact O-CA 3.4Å; A261-G279 PolarHBondContact O-N 3.15Å; A261-Y382 WeakPolarHBondContact CA-OH 3.5Å
262D95.3Very high95.6Very high20 Ų2021.9 Ų21.911%0.10712%0.122CC..  trans-144.4174.7163.264.247.2000110.3V264 F265 E266 Y382 H450D262-V264 VanDerWaalsContact C-N 3.32Å; D262-V264 VanDerWaalsContact OD1-CA 3.27Å; D262-V264 WeakPolarHBondContact OD1-CA 3.29Å; D262-V264 VanDerWaalsContact OD1-CB 3.23Å; D262-V264 WeakPolarHBondContact OD1-CB 3.43Å; D262-V264 PolarHBondContact OD1-N 3.21Å; D262-F265 PolarHBondContact O-N 3.08Å; D262-F265 PolarHBondContact OD1-N 3.37Å; D262-E266 VanDerWaalsContact O-CB 3.3Å; D262-E266 WeakPolarHBondContact O-CB 3.41Å; D262-E266 PolarHBondContact O-N 3.3Å; D262-Y382 PolarHBondContact N-OH 3.24Å; D262-Y382 WeakPolarHBondContact OD2-CE1 3.39Å; D262-H450 IonicContact OD2-CE1 2.95Å; D262-H450 PolarHBondContact OD2-CE1 3.46Å; D262-H450 IonicContact OD2-ND1 3.35Å; D262-H450 PolarHBondContact OD2-ND1 3.47Å
263F95.7Very high95.8Very high81 Ų8124.9 Ų24.936%0.35514%0.143SC..THydrogen-bonded Turntrans-82.8-5-179.7-63-66.5000114.5F265 E266 R269 Y277F263-F265 VanDerWaalsContact C-N 3.27Å; F263-E266 VanDerWaalsContact O-O 3.11Å; F263-R269 HydrophobicContact CE1-CG 4.15Å; F263-Y277 HydrophobicContact CE1-CE1 4.45Å; F263-Y277 HydrophobicContact CE2-CD2 4.18Å; F263-Y277 HydrophobicContact CE2-CE1 4.28Å; F263-Y277 AromaticContact CE2-CE2 3.87Å; F263-Y277 HydrophobicContact CE2-CE2 3.87Å; F263-Y277 AromaticContact CE2-CZ 3.93Å; F263-Y277 AromaticContact CZ-CE1 3.96Å; F263-Y277 HydrophobicContact CZ-CE1 3.96Å; F263-Y277 AromaticContact CZ-CE2 3.92Å; F263-Y277 HydrophobicContact CZ-CE2 3.92Å; F263-Y277 AromaticContact CZ-CZ 3.55Å
264V96.3Very high96Very high26 Ų2623.5 Ų23.516%0.15813%0.133CC..THydrogen-bonded Turntrans-71.8-30.9166.5-177.50000109.5D262 I385 R410 L446 L449 H450D262-V264 VanDerWaalsContact C-N 3.32Å; D262-V264 VanDerWaalsContact OD1-CA 3.27Å; D262-V264 WeakPolarHBondContact OD1-CA 3.29Å; D262-V264 VanDerWaalsContact OD1-CB 3.23Å; D262-V264 WeakPolarHBondContact OD1-CB 3.43Å; D262-V264 PolarHBondContact OD1-N 3.21Å; V264-I385 HydrophobicContact CG1-CG2 4.38Å; V264-R410 WeakPolarHBondContact O-CD 3.29Å; V264-R410 PolarHBondContact O-NE 2.99Å; V264-R410 PolarHBondContact O-NH2 2.95Å; V264-L446 HydrophobicContact CG1-CB 4.11Å; V264-L446 HydrophobicContact CG1-CD2 3.85Å; V264-L449 HydrophobicContact CG1-CB 4.19Å; V264-L449 HydrophobicContact CG2-CB 3.85Å; V264-H450 HydrophobicContact CB-CB 4.38Å; V264-H450 HydrophobicContact CG1-CB 4.12Å; V264-H450 HydrophobicContact CG2-CB 4.42Å
265F95.3Very high96.1Very high0 Ų024 Ų240%014%0.135CC..THydrogen-bonded Turntrans-97-44.4174.3-175.6-119.6000114.2D262 F263 M381 Y382 I385 N403 R406 L407 R410D262-F265 PolarHBondContact O-N 3.08Å; D262-F265 PolarHBondContact OD1-N 3.37Å; F263-F265 VanDerWaalsContact C-N 3.27Å; F265-M381 HydrophobicContact CE2-CB 3.96Å; F265-M381 HydrophobicContact CE2-CG 4.3Å; F265-M381 HydrophobicContact CZ-CB 4.17Å; F265-M381 HydrophobicContact CZ-CG 4.3Å; F265-Y382 HydrophobicContact CB-CE1 4.02Å; F265-Y382 VanDerWaalsContact CB-OH 3.3Å; F265-Y382 WeakPolarHBondContact CB-OH 3.32Å; F265-Y382 HydrophobicContact CD1-CE2 4.22Å; F265-Y382 AromaticContact CD1-CZ 3.94Å; F265-Y382 WeakPolarHBondContact CD1-OH 3.49Å; F265-I385 HydrophobicContact CB-CD1 4.08Å; F265-I385 HydrophobicContact CD2-CD1 3.68Å; F265-I385 HydrophobicContact CG-CD1 4.21Å; F265-N403 HydrophobicContact CZ-CB 3.72Å; F265-N403 WeakPolarHBondContact CZ-OD1 3.12Å; F265-R406 HydrophobicContact CE2-CB 4.24Å; F265-L407 HydrophobicContact CD2-CD2 4.17Å; F265-L407 HydrophobicContact CE2-CD2 4.29Å; F265-L407 HydrophobicContact CE2-CG 4.14Å; F265-R410 VanDerWaalsContact C-NH2 3.33Å; F265-R410 PolarHBondContact O-NH1 2.96Å; F265-R410 PolarHBondContact O-NH2 3.35Å; F265-R410 VanDerWaalsContact O-NH2 3.08Å
266E94.5Very high96.1Very high1 Ų123.7 Ų23.71%0.00514%0.135CC..SBendtrans-85.4159.8-178.8-72.8-55.9136.500114R176 A261 D262 F263 R406 R410R176-E266 IonicContact CZ-OE1 3.68Å; R176-E266 IonicContact NH1-OE1 3.25Å; R176-E266 PolarHBondContact NH1-OE1 3.03Å; R176-E266 IonicContact NH2-OE1 3.5Å; R176-E266 PolarHBondContact NH2-OE1 2.93Å; R176-E266 IonicContact NH2-OE2 3.88Å; A261-E266 HydrophobicContact CB-CG 3.74Å; D262-E266 VanDerWaalsContact O-CB 3.3Å; D262-E266 WeakPolarHBondContact O-CB 3.41Å; D262-E266 PolarHBondContact O-N 3.3Å; F263-E266 VanDerWaalsContact O-O 3.11Å; E266-R406 IonicContact OE1-CZ 3.99Å; E266-R406 IonicContact OE1-NE 2.78Å; E266-R406 PolarHBondContact OE1-NE 3.24Å; E266-R406 IonicContact OE1-NH2 3.18Å; E266-R406 IonicContact OE2-CZ 2.71Å; E266-R406 VanDerWaalsContact OE2-CZ 3.3Å; E266-R406 IonicContact OE2-NE 2.68Å; E266-R406 PolarHBondContact OE2-NE 3.36Å; E266-R406 IonicContact OE2-NH2 3.78Å; E266-R406 PolarHBondContact OE2-NH2 3.27Å; E266-R410 VanDerWaalsContact C-NH2 3.32Å; E266-R410 PolarHBondContact O-NH2 3.25Å
267F96.1Very high96.1Very high10 Ų1025.9 Ų25.94%0.04414%0.143CC..PPolyproline II helixtrans-73.6141.7169.7-59.6-61.3000111.1P196 H203 D204 R269 R406 V409P196-F267 HydrophobicContact CG-CD2 3.74Å; P196-F267 HydrophobicContact CG-CE2 4.01Å; H203-F267 HydrophobicContact CB-CE2 4.36Å; H203-F267 HydrophobicContact CB-CZ 3.86Å; D204-F267 HydrophobicContact CB-CB 3.8Å; D204-F267 HydrophobicContact CB-CD1 3.8Å; D204-F267 HydrophobicContact CB-CD2 4.17Å; D204-F267 HydrophobicContact CB-CE1 4.43Å; D204-F267 HydrophobicContact CB-CG 3.66Å; D204-F267 WeakPolarHBondContact OD1-CD1 3.38Å; D204-F267 WeakPolarHBondContact OD1-CE1 3.32Å; D204-F267 WeakPolarHBondContact OD2-CD1 3.49Å; F267-R269 PolarHBondContact O-N 3.47Å; F267-R406 HydrophobicContact CD2-CG 4.5Å; F267-R406 HydrophobicContact CE2-CG 3.89Å; F267-R406 HydrophobicContact CZ-CG 4.07Å; F267-V409 HydrophobicContact CE1-CB 4.48Å; F267-V409 HydrophobicContact CE1-CG1 4.04Å; F267-V409 HydrophobicContact CZ-CB 4.5Å; F267-V409 HydrophobicContact CZ-CG1 4.46Å; F267-V409 HydrophobicContact CZ-CG2 4.39Å
268P94.7Very high96Very high81 Ų8125.9 Ų25.953%0.52614%0.143SC..PPolyproline II helixtrans-57134.1177-25.334.9000112.7
269R95.4Very high95.9Very high24 Ų2426 Ų269%0.09114%0.144CC..  trans-159.1160-179.256.8-174.7-175.2-177.94.5111.9E182 H184 V195 F263 F267E182-R269 VanDerWaalsContact CD-NH2 3.26Å; E182-R269 IonicContact OE1-NH2 3.66Å; E182-R269 PolarHBondContact OE1-NH2 3.4Å; E182-R269 IonicContact OE2-CZ 2.96Å; E182-R269 IonicContact OE2-NH1 3.52Å; E182-R269 PolarHBondContact OE2-NH1 3.48Å; E182-R269 IonicContact OE2-NH2 2.61Å; E182-R269 PolarHBondContact OE2-NH2 3.35Å; H184-R269 PolarHBondContact CD2-NE 3.35Å; H184-R269 VanDerWaalsContact CD2-NE 3.35Å; H184-R269 PolarHBondContact CD2-NH2 3.14Å; H184-R269 WeakPolarHBondContact CE1-CD 3.44Å; H184-R269 PolarHBondContact CE1-NE 3.28Å; H184-R269 VanDerWaalsContact CG-CZ 3.41Å; H184-R269 VanDerWaalsContact CG-NH2 3.29Å; H184-R269 PolarHBondContact ND1-NE 3.27Å; H184-R269 PolarHBondContact NE2-NE 3.36Å; V195-R269 HydrophobicContact CG2-CB 3.88Å; F263-R269 HydrophobicContact CE1-CG 4.15Å; F267-R269 PolarHBondContact O-N 3.47Å
270P95.5Very high95.9Very high48 Ų4826.2 Ų26.231%0.31215%0.146SC..  trans-62143.3178.9-20.933.5000111.3H184 P189 Y194H184-P270 PolarHBondContact CE1-O 2.78Å; H184-P270 PolarHBondContact NE2-O 2.71Å; P189-P270 HydrophobicContact CB-CB 4.25Å; P189-P270 HydrophobicContact CG-CB 4.48Å; P189-P270 WeakPolarHBondContact O-CD 3.29Å; Y194-P270 VanDerWaalsContact OH-CD 3.23Å; Y194-P270 WeakPolarHBondContact OH-CD 3.5Å
271T95.1Very high95.9Very high65 Ų6526 Ų2640%0.39915%0.145SC..  trans-131165.3-179.1-163.80000112.1Y277T271-Y277 VanDerWaalsContact CB-OH 3.28Å; T271-Y277 WeakPolarHBondContact CB-OH 2.89Å; T271-Y277 HydrophobicContact CG2-CE2 4.12Å; T271-Y277 VanDerWaalsContact OG1-CE2 3.24Å; T271-Y277 WeakPolarHBondContact OG1-CE2 2.95Å; T271-Y277 PolarHBondContact OG1-OH 3.44Å
272M94.8Very high95.8Very high24 Ų2426.7 Ų26.712%0.11815%0.149CC..  trans-103.3152178.2-67.6-55.9-165.300112I187 A188 P189 N274 M275 F482I187-M272 HydrophobicContact CG1-CG 4.25Å; I187-M272 WeakPolarHBondContact O-CE 3.48Å; I187-M272 WeakPolarHBondContact O-CG 3.44Å; A188-M272 HydrophobicContact CB-CG 4.03Å; P189-M272 HydrophobicContact CG-CE 4.13Å; M272-N274 WeakPolarHBondContact CB-OD1 3.46Å; M272-N274 PolarHBondContact O-N 2.99Å; M272-N274 VanDerWaalsContact O-N 3.17Å; M272-M275 WeakPolarHBondContact O-CB 3.3Å; M272-M275 PolarHBondContact O-N 3.36Å; M272-F482 HydrophobicContact CE-CE1 4.41Å; M272-F482 HydrophobicContact CE-CZ 3.86Å; M272-F482 HydrophobicContact CG-CZ 4.43Å
273P95.9Very high95.7Very high84 Ų8426.3 Ų26.355%0.54515%0.148SC..THydrogen-bonded Turntrans-59.6-27.7-179.5-24.834.8000114.8L477P273-L477 HydrophobicContact CB-CB 4.3Å; P273-L477 HydrophobicContact CB-CD2 4.12Å
274N96.4Very high95.5Very high1 Ų127.7 Ų27.71%0.00515%0.153CC..THydrogen-bonded Turntrans-91.28.7176.567.2-32000114.1D255 I256 W257 M272 L477D255-N274 VanDerWaalsContact O-CB 3.32Å; D255-N274 WeakPolarHBondContact O-CB 3.5Å; I256-N274 WeakPolarHBondContact CA-O 3.38Å; I256-N274 HydrophobicContact CD1-CB 4.25Å; W257-N274 PolarHBondContact N-O 3.18Å; M272-N274 WeakPolarHBondContact CB-OD1 3.46Å; M272-N274 PolarHBondContact O-N 2.99Å; M272-N274 VanDerWaalsContact O-N 3.17Å; N274-L477 HydrophobicContact CB-CB 3.78Å
275M96.5Very high95.5Very high10 Ų1032.2 Ų32.25%0.04917%0.173CC..EExtended strand (participates in β ladder)trans-103.4114.1172.4178.4158.7-86.300110.2H184 I187 W257 F259 M272 Y277H184-M275 HydrophobicContact CB-CE 4.28Å; H184-M275 HydrophobicContact CB-SD 4.16Å; H184-M275 PolarHBondContact CD2-SD 3.22Å; I187-M275 HydrophobicContact CG2-CE 3.18Å; I187-M275 HydrophobicContact CG2-SD 4.13Å; W257-M275 HydrophobicContact CB-CE 4.02Å; W257-M275 HydrophobicContact CD2-CE 4.43Å; W257-M275 HydrophobicContact CE3-CE 4.04Å; W257-M275 HydrophobicContact CG-CE 4.46Å; F259-M275 HydrophobicContact CB-CE 4.23Å; F259-M275 HydrophobicContact CB-CG 3.95Å; F259-M275 HydrophobicContact CB-SD 4.36Å; F259-M275 HydrophobicContact CD2-CE 3.77Å; F259-M275 HydrophobicContact CD2-SD 4.43Å; F259-M275 HydrophobicContact CG-CE 4.08Å; F259-M275 HydrophobicContact CG-CG 4.44Å; F259-M275 HydrophobicContact CG-SD 4.22Å; M272-M275 WeakPolarHBondContact O-CB 3.3Å; M272-M275 PolarHBondContact O-N 3.36Å; M275-Y277 HydrophobicContact CG-CE2 4.19Å
276V97.6Very high95.5Very high11 Ų1134 Ų347%0.06719%0.188CC..EExtended strand (participates in β ladder)trans-113112.5-173.3179.40000109.1I256 W257 L258 F259 I278 T460 W464I256-V276 HydrophobicContact CD1-CG2 4.41Å; I256-V276 HydrophobicContact CG2-CB 4.38Å; I256-V276 HydrophobicContact CG2-CG2 3.85Å; W257-V276 PolarHBondContact O-N 3.13Å; L258-V276 CarbonylContact C-O 3.59Å; L258-V276 WeakPolarHBondContact CA-O 3.5Å; L258-V276 HydrophobicContact CD2-CB 4.07Å; L258-V276 HydrophobicContact CD2-CG1 4.18Å; F259-V276 PolarHBondContact N-O 3.23Å; V276-I278 HydrophobicContact CG1-CG2 4.04Å; V276-I278 PolarHBondContact O-N 3.18Å; V276-T460 HydrophobicContact CG1-CG2 3.57Å; V276-W464 HydrophobicContact CB-CG 4.46Å; V276-W464 HydrophobicContact CG1-CG 4.13Å; V276-W464 HydrophobicContact CG2-CD2 3.77Å; V276-W464 HydrophobicContact CG2-CG 3.75Å; V276-W464 HydrophobicContact CG2-CZ2 4.26Å
277Y97.4Very high95.5Very high46 Ų4639.4 Ų39.418%0.1821%0.213CC..EExtended strand (participates in β ladder)trans-75.9115.6-179.6-66.8-87.9000111.3H184 F259 A261 F263 T271 M275H184-Y277 PolarHBondContact CD2-OH 2.79Å; H184-Y277 PolarHBondContact NE2-OH 3.4Å; H184-Y277 VanDerWaalsContact NE2-OH 3.11Å; F259-Y277 HydrophobicContact CB-CD1 4.5Å; F259-Y277 AromaticContact CD1-CD1 3.7Å; F259-Y277 HydrophobicContact CD1-CD1 3.7Å; F259-Y277 AromaticContact CD1-CE1 3.59Å; F259-Y277 HydrophobicContact CD1-CE1 3.59Å; F259-Y277 HydrophobicContact CE1-CE1 4.19Å; F259-Y277 HydrophobicContact CG-CE1 4.47Å; A261-Y277 CarbonylContact O-C 3.59Å; A261-Y277 WeakPolarHBondContact O-CA 3.44Å; A261-Y277 VanDerWaalsContact O-CB 3.25Å; A261-Y277 WeakPolarHBondContact O-CB 3.21Å; A261-Y277 WeakPolarHBondContact O-CD1 2.76Å; F263-Y277 HydrophobicContact CE1-CE1 4.45Å; F263-Y277 HydrophobicContact CE2-CD2 4.18Å; F263-Y277 HydrophobicContact CE2-CE1 4.28Å; F263-Y277 AromaticContact CE2-CE2 3.87Å; F263-Y277 HydrophobicContact CE2-CE2 3.87Å; F263-Y277 AromaticContact CE2-CZ 3.93Å; F263-Y277 AromaticContact CZ-CE1 3.96Å; F263-Y277 HydrophobicContact CZ-CE1 3.96Å; F263-Y277 AromaticContact CZ-CE2 3.92Å; F263-Y277 HydrophobicContact CZ-CE2 3.92Å; F263-Y277 AromaticContact CZ-CZ 3.55Å; T271-Y277 VanDerWaalsContact CB-OH 3.28Å; T271-Y277 WeakPolarHBondContact CB-OH 2.89Å; T271-Y277 HydrophobicContact CG2-CE2 4.12Å; T271-Y277 VanDerWaalsContact OG1-CE2 3.24Å; T271-Y277 WeakPolarHBondContact OG1-CE2 2.95Å; T271-Y277 PolarHBondContact OG1-OH 3.44Å; M275-Y277 HydrophobicContact CG-CE2 4.19Å
278I97.6Very high95.5Very high0 Ų044.4 Ų44.40%025%0.247CC..  trans-120.531.7-179.360.6155.8000112I43 L258 F259 R260 A261 V276 G280 F281 A457 T460 A461I43-I278 HydrophobicContact CD1-CD1 4.49Å; L258-I278 HydrophobicContact CB-CD1 3.65Å; L258-I278 HydrophobicContact CB-CG1 4.09Å; L258-I278 HydrophobicContact CD1-CD1 4.5Å; L258-I278 HydrophobicContact CD2-CG2 4.37Å; F259-I278 WeakPolarHBondContact O-CG1 3.44Å; F259-I278 PolarHBondContact O-N 3.44Å; R260-I278 HydrophobicContact CG-CD1 4.46Å; A261-I278 PolarHBondContact O-N 3.46Å; V276-I278 HydrophobicContact CG1-CG2 4.04Å; V276-I278 PolarHBondContact O-N 3.18Å; I278-G280 PolarHBondContact O-N 2.92Å; I278-F281 HydrophobicContact CB-CB 4.46Å; I278-F281 HydrophobicContact CD1-CD1 3.77Å; I278-F281 HydrophobicContact CD1-CE1 4.03Å; I278-F281 HydrophobicContact CD1-CG 4.2Å; I278-F281 HydrophobicContact CG1-CD1 4.24Å; I278-F281 WeakPolarHBondContact O-CB 3.39Å; I278-F281 VanDerWaalsContact O-CD1 3.3Å; I278-F281 WeakPolarHBondContact O-CD1 3.16Å; I278-F281 PolarHBondContact O-N 2.83Å; I278-F281 VanDerWaalsContact O-N 3.17Å; I278-A457 HydrophobicContact CB-CB 4.22Å; I278-T460 HydrophobicContact CG2-CG2 4.32Å; I278-A461 HydrophobicContact CD1-CB 4.16Å; I278-A461 HydrophobicContact CG2-CB 4.03Å
279G96.6Very high95.6Very high1 Ų141.2 Ų41.21%0.0123%0.225CC..THydrogen-bonded Turntrans-47.5129.6176.100000113.1A261 F281 H450 R453A261-G279 VanDerWaalsContact C-CA 3.46Å; A261-G279 WeakPolarHBondContact O-CA 3.4Å; A261-G279 PolarHBondContact O-N 3.15Å; G279-F281 VanDerWaalsContact C-N 3.32Å; G279-F281 PolarHBondContact O-N 2.82Å; G279-H450 PolarHBondContact O-CE1 3.49Å; G279-R453 PolarHBondContact O-NH1 3.39Å
280G95.4Very high95.6Very high5 Ų544 Ų445%0.05225%0.246CC..THydrogen-bonded Turntrans68.520.6178.400000115.5I278 Q282 C283I278-G280 PolarHBondContact O-N 2.92Å; G280-Q282 VanDerWaalsContact C-OE1 3.32Å; G280-Q282 PolarHBondContact O-N 2.65Å; G280-Q282 VanDerWaalsContact O-N 3.12Å; G280-C283 VanDerWaalsContact O-CB 3.26Å; G280-C283 WeakPolarHBondContact O-CB 3.07Å; G280-C283 PolarHBondContact O-N 2.82Å
281F95.9Very high95.7Very high7 Ų748.6 Ų48.63%0.03127%0.268CS..THydrogen-bonded Turntrans-56.4-26.8178.772.4-87.3000114.2N39 I43 R260 I278 G279 C283 A457 M458N39-F281 HydrophobicContact CB-CE2 4.49Å; N39-F281 HydrophobicContact CB-CZ 3.8Å; N39-F281 WeakPolarHBondContact O-CE2 3.38Å; I43-F281 HydrophobicContact CD1-CD2 4.15Å; I43-F281 HydrophobicContact CD1-CE2 3.6Å; I43-F281 HydrophobicContact CD1-CZ 3.84Å; I43-F281 HydrophobicContact CG1-CD2 3.92Å; I43-F281 HydrophobicContact CG1-CE2 3.57Å; I43-F281 HydrophobicContact CG1-CZ 4.32Å; R260-F281 HydrophobicContact CG-CE1 3.86Å; I278-F281 HydrophobicContact CB-CB 4.46Å; I278-F281 HydrophobicContact CD1-CD1 3.77Å; I278-F281 HydrophobicContact CD1-CE1 4.03Å; I278-F281 HydrophobicContact CD1-CG 4.2Å; I278-F281 HydrophobicContact CG1-CD1 4.24Å; I278-F281 WeakPolarHBondContact O-CB 3.39Å; I278-F281 VanDerWaalsContact O-CD1 3.3Å; I278-F281 WeakPolarHBondContact O-CD1 3.16Å; I278-F281 PolarHBondContact O-N 2.83Å; I278-F281 VanDerWaalsContact O-N 3.17Å; G279-F281 VanDerWaalsContact C-N 3.32Å; G279-F281 PolarHBondContact O-N 2.82Å; F281-C283 VanDerWaalsContact C-N 3.31Å; F281-A457 HydrophobicContact CB-CB 3.71Å; F281-M458 HydrophobicContact CD2-CE 3.71Å; F281-M458 HydrophobicContact CE2-CE 4.45Å
282Q93.4Very high95.7Very high15 Ų1552 Ų527%0.0728%0.28CS..THydrogen-bonded Turntrans-75.1-19.1176.273.1-77.610.100113.6I42 G280I42-Q282 HydrophobicContact CD1-CB 3.47Å; I42-Q282 VanDerWaalsContact CD1-CB 3.47Å; G280-Q282 VanDerWaalsContact C-OE1 3.32Å; G280-Q282 PolarHBondContact O-N 2.65Å; G280-Q282 VanDerWaalsContact O-N 3.12Å
283C94.4Very high95.7Very high13 Ų1352 Ų529%0.08828%0.28CS..  trans-72.5137.9-175-600000110.9G280 F281 Y386G280-C283 VanDerWaalsContact O-CB 3.26Å; G280-C283 WeakPolarHBondContact O-CB 3.07Å; G280-C283 PolarHBondContact O-N 2.82Å; F281-C283 VanDerWaalsContact C-N 3.31Å; C283-Y386 HydrophobicContact CB-CD1 4.05Å; C283-Y386 HydrophobicContact CB-CD2 3.43Å; C283-Y386 VanDerWaalsContact CB-CD2 3.43Å; C283-Y386 HydrophobicContact CB-CE1 4.5Å; C283-Y386 HydrophobicContact CB-CE2 3.94Å; C283-Y386 HydrophobicContact CB-CG 3.5Å; C283-Y386 VanDerWaalsContact CB-CG 3.5Å
284K91.9Very high95.7Very high109 Ų10950 Ų5047%0.47426%0.263SS..  trans-140.4164.5179.7-66.3-176.5179.3-176.70109.1K361 Y386K284-K361 HydrophobicContact CB-CD 3.99Å; K284-K361 WeakPolarHBondContact O-CE 3.38Å; K284-Y386 WeakPolarHBondContact O-CE1 3.36Å
285E94.4Very high95.8Very high121 Ų12152.8 Ų52.857%0.56529%0.286SS*.PPolyproline II helixtrans-62.8142.8172.1-59.6-162.5145.800111.4Q287 K361 R451E285-Q287 PolarHBondContact O-NE2 2.55Å; E285-K361 WeakPolarHBondContact O-CE 3.26Å; E285-K361 PolarHBondContact O-NZ 2.9Å; E285-R451 IonicContact OE1-NH2 3.85Å; E285-R451 PolarHBondContact OE1-NH2 2.77Å
286A95.4Very high95.8Very high38 Ų3853.8 Ų53.831%0.31429%0.29SS..PPolyproline II helixtrans-63.4135.4-179.700000110.6D362A286-D362 WeakPolarHBondContact CA-OD1 3.45Å; A286-D362 HydrophobicContact CB-CB 4.46Å
287Q95.9Very high95.8Very high114 Ų11453.2 Ų53.253%0.53329%0.287SS..PPolyproline II helixtrans-93.3160.7172.1-61.5-56.6-54.900110.2E285 L289 D362E285-Q287 PolarHBondContact O-NE2 2.55Å; Q287-L289 PolarHBondContact O-N 2.91Å; Q287-D362 PolarHBondContact N-OD1 3.25Å
288P96Very high95.8Very high116 Ų11657 Ų5775%0.75331%0.305SS*.PPolyproline II helixtrans-54.8134.9175-26.135.5000112.1
289L96.6Very high95.8Very high13 Ų1360.2 Ų60.27%0.06833%0.327CS..PPolyproline II helixtrans-74.9152.5175.2-65.9172000110.5Q287 L293 E294 M297 P359 D362 L363 H366Q287-L289 PolarHBondContact O-N 2.91Å; L289-L293 HydrophobicContact CB-CB 4.26Å; L289-E294 HydrophobicContact CB-CB 4.26Å; L289-M297 HydrophobicContact CD1-CG 3.75Å; L289-P359 HydrophobicContact CD2-CB 4.44Å; L289-P359 HydrophobicContact CD2-CG 3.97Å; L289-D362 HydrophobicContact CD2-CB 3.7Å; L289-L363 HydrophobicContact CD1-CD2 3.75Å; L289-L363 HydrophobicContact CD2-CD2 4.01Å; L289-L363 HydrophobicContact CD2-CG 4.1Å; L289-H366 HydrophobicContact CD1-CB 4.47Å
290P95.9Very high95.8Very high82 Ų8260.5 Ų60.553%0.53233%0.329SS..PPolyproline II helixtrans-53.5143.1166.4-24.133.1000111.5E292 L293 E294P290-E292 PolarHBondContact O-N 3.37Å; P290-L293 HydrophobicContact CG-CD1 4.43Å; P290-L293 WeakPolarHBondContact O-CA 3.1Å; P290-L293 PolarHBondContact O-N 3.02Å; P290-E294 PolarHBondContact O-N 2.98Å
291D96.1Very high95.8Very high146 Ų14662 Ų6278%0.78134%0.344SS*.Hα-helixtrans-49.3-39.9-171.8-66.7-22.4000113.9E294 A295D291-E294 PolarHBondContact O-N 2.85Å; D291-A295 VanDerWaalsContact O-CB 3.27Å; D291-A295 WeakPolarHBondContact O-CB 3.43Å; D291-A295 PolarHBondContact O-N 3.12Å
292E94.8Very high95.8Very high137 Ų13770.1 Ų70.164%0.6438%0.382SS*.Hα-helixtrans-65.9-40.5179.1-167.4-164.9159.700112.7P290 F296 K353P290-E292 PolarHBondContact O-N 3.37Å; E292-F296 PolarHBondContact O-N 2.73Å; E292-F296 VanDerWaalsContact O-N 3.14Å; E292-K353 VanDerWaalsContact CD-NZ 3.34Å; E292-K353 IonicContact OE1-NZ 3.19Å; E292-K353 PolarHBondContact OE1-NZ 3.14Å
293L95.5Very high96Very high23 Ų2374.1 Ų74.112%0.1240%0.401CS..Hα-helixtrans-72.5-42.6176.6-74.1178.2000110.3L289 P290 A295 F296 M297 I337 P359L289-L293 HydrophobicContact CB-CB 4.26Å; P290-L293 HydrophobicContact CG-CD1 4.43Å; P290-L293 WeakPolarHBondContact O-CA 3.1Å; P290-L293 PolarHBondContact O-N 3.02Å; L293-A295 VanDerWaalsContact C-N 3.34Å; L293-A295 PolarHBondContact O-N 2.86Å; L293-F296 WeakPolarHBondContact O-CB 3.14Å; L293-F296 PolarHBondContact O-N 3.37Å; L293-F296 VanDerWaalsContact O-N 3.15Å; L293-M297 VanDerWaalsContact O-CG 3.27Å; L293-M297 WeakPolarHBondContact O-CG 3.3Å; L293-M297 PolarHBondContact O-N 3.35Å; L293-I337 HydrophobicContact CD2-CD1 4.42Å; L293-P359 HydrophobicContact CD1-CG 3.75Å
294E97.1Very high96.1Very high42 Ų4273.5 Ų73.520%0.19640%0.396CS..Hα-helixtrans-57.8-45.7175.6-177.765.3-17100111.7L289 P290 D291 F296 M297 K298 H366L289-E294 HydrophobicContact CB-CB 4.26Å; P290-E294 PolarHBondContact O-N 2.98Å; D291-E294 PolarHBondContact O-N 2.85Å; E294-F296 VanDerWaalsContact C-N 3.34Å; E294-F296 PolarHBondContact O-N 2.92Å; E294-M297 PolarHBondContact O-N 2.89Å; E294-K298 HydrophobicContact CG-CD 4.39Å; E294-K298 WeakPolarHBondContact O-CG 3.41Å; E294-K298 PolarHBondContact O-N 3.03Å; E294-K298 WeakPolarHBondContact OE1-CE 3.41Å; E294-K298 IonicContact OE1-NZ 2.73Å; E294-K298 PolarHBondContact OE1-NZ 3.23Å; E294-H366 IonicContact OE1-NE2 2.64Å; E294-H366 IonicContact OE2-CD2 2.68Å; E294-H366 IonicContact OE2-NE2 3.11Å; E294-H366 PolarHBondContact OE2-NE2 2.95Å
295A97.2Very high96.5Very high59 Ų5968.3 Ų68.349%0.48837%0.374SS..Hα-helixtrans-61.1-42.1175.600000111.8D291 L293 K298 S299D291-A295 VanDerWaalsContact O-CB 3.27Å; D291-A295 WeakPolarHBondContact O-CB 3.43Å; D291-A295 PolarHBondContact O-N 3.12Å; L293-A295 VanDerWaalsContact C-N 3.34Å; L293-A295 PolarHBondContact O-N 2.86Å; A295-K298 PolarHBondContact O-N 2.79Å; A295-S299 WeakPolarHBondContact O-CB 3.46Å; A295-S299 PolarHBondContact O-N 3.39Å
296F97Very high96.7Very high31 Ų3162.6 Ų62.614%0.13635%0.347CS..Hα-helixtrans-62.3-45.9175.1-174.3-93.3000111.6E292 L293 E294 K298 S299 K335 I337 K353E292-F296 PolarHBondContact O-N 2.73Å; E292-F296 VanDerWaalsContact O-N 3.14Å; L293-F296 WeakPolarHBondContact O-CB 3.14Å; L293-F296 PolarHBondContact O-N 3.37Å; L293-F296 VanDerWaalsContact O-N 3.15Å; E294-F296 VanDerWaalsContact C-N 3.34Å; E294-F296 PolarHBondContact O-N 2.92Å; F296-K298 VanDerWaalsContact C-N 3.34Å; F296-K298 PolarHBondContact O-N 2.9Å; F296-S299 PolarHBondContact O-N 3.23Å; F296-S299 PolarHBondContact O-OG 3.48Å; F296-K335 HydrophobicContact CE1-CB 3.72Å; F296-K335 HydrophobicContact CE1-CG 4.4Å; F296-K335 HydrophobicContact CE2-CD 4.26Å; F296-K335 HydrophobicContact CZ-CB 3.84Å; F296-K335 HydrophobicContact CZ-CD 4.08Å; F296-K335 HydrophobicContact CZ-CG 4.28Å; F296-I337 HydrophobicContact CD1-CD1 3.86Å; F296-I337 HydrophobicContact CD1-CG1 3.73Å; F296-I337 HydrophobicContact CE1-CD1 4.11Å; F296-I337 HydrophobicContact CE1-CG1 3.44Å; F296-I337 VanDerWaalsContact CE1-CG1 3.44Å; F296-K353 HydrophobicContact CD2-CB 4.4Å; F296-K353 HydrophobicContact CD2-CD 4.08Å; F296-K353 HydrophobicContact CE1-CB 4.12Å; F296-K353 HydrophobicContact CE2-CB 3.78Å; F296-K353 HydrophobicContact CE2-CD 4.3Å; F296-K353 HydrophobicContact CG-CD 4.24Å; F296-K353 HydrophobicContact CZ-CB 3.61Å
297M97.6Very high96.8Very high0 Ų060.8 Ų60.80%033%0.332CS..Hα-helixtrans-59.1-44.1176.8-65.1-62.2-76.800111.4L289 L293 E294 S300 V305 I337 L363 H366 K368 T369L289-M297 HydrophobicContact CD1-CG 3.75Å; L293-M297 VanDerWaalsContact O-CG 3.27Å; L293-M297 WeakPolarHBondContact O-CG 3.3Å; L293-M297 PolarHBondContact O-N 3.35Å; E294-M297 PolarHBondContact O-N 2.89Å; M297-S300 WeakPolarHBondContact O-CB 3.38Å; M297-S300 PolarHBondContact O-N 2.68Å; M297-S300 PolarHBondContact O-OG 3.49Å; M297-V305 HydrophobicContact CE-CB 3.89Å; M297-V305 HydrophobicContact CE-CG1 4.19Å; M297-V305 HydrophobicContact CE-CG2 3.86Å; M297-V305 HydrophobicContact SD-CB 3.97Å; M297-V305 HydrophobicContact SD-CG1 3.77Å; M297-V305 HydrophobicContact SD-CG2 3.68Å; M297-I337 HydrophobicContact SD-CD1 3.59Å; M297-I337 VanDerWaalsContact SD-CD1 3.59Å; M297-L363 HydrophobicContact CE-CD2 4.13Å; M297-L363 HydrophobicContact CG-CD2 4.24Å; M297-L363 HydrophobicContact SD-CD2 3.7Å; M297-H366 HydrophobicContact CE-CB 3.85Å; M297-H366 WeakPolarHBondContact CE-ND1 3.5Å; M297-K368 HydrophobicContact CE-CB 4.31Å; M297-T369 WeakPolarHBondContact CE-OG1 3.44Å
298K97.1Very high96.9Very high126 Ų12655.3 Ų55.355%0.54831%0.307SS..Hα-helixtrans-67.1-35.1178.2-74.1177.7178.1148.40113.3E294 A295 F296 S300 G301E294-K298 HydrophobicContact CG-CD 4.39Å; E294-K298 WeakPolarHBondContact O-CG 3.41Å; E294-K298 PolarHBondContact O-N 3.03Å; E294-K298 WeakPolarHBondContact OE1-CE 3.41Å; E294-K298 IonicContact OE1-NZ 2.73Å; E294-K298 PolarHBondContact OE1-NZ 3.23Å; A295-K298 PolarHBondContact O-N 2.79Å; F296-K298 VanDerWaalsContact C-N 3.34Å; F296-K298 PolarHBondContact O-N 2.9Å; K298-S300 PolarHBondContact O-N 3.18Å; K298-G301 PolarHBondContact O-N 3.19Å
299S97.3Very high96.8Very high67 Ų6750.2 Ų50.247%0.46927%0.273SS..THydrogen-bonded Turntrans-62.4-11.2178.180.30000114.3A295 F296 G301 K335A295-S299 WeakPolarHBondContact O-CB 3.46Å; A295-S299 PolarHBondContact O-N 3.39Å; F296-S299 PolarHBondContact O-N 3.23Å; F296-S299 PolarHBondContact O-OG 3.48Å; S299-G301 PolarHBondContact O-N 3.29Å; S299-K335 WeakPolarHBondContact OG-CE 3.23Å
300S97.3Very high96.6Very high6 Ų650 Ų504%0.04227%0.272CS..THydrogen-bonded Turntrans-72.9-10.5176.168.70000115.1M297 K298 H303 G304M297-S300 WeakPolarHBondContact O-CB 3.38Å; M297-S300 PolarHBondContact O-N 2.68Å; M297-S300 PolarHBondContact O-OG 3.49Å; K298-S300 PolarHBondContact O-N 3.18Å; S300-H303 PolarHBondContact O-N 3.44Å; S300-G304 VanDerWaalsContact CB-O 3.28Å; S300-G304 WeakPolarHBondContact CB-O 3.48Å; S300-G304 PolarHBondContact O-N 3.01Å; S300-G304 WeakPolarHBondContact OG-CA 3.44Å
301G95.4Very high96Very high36 Ų3646.8 Ų46.837%0.37125%0.254SS..THydrogen-bonded Turntrans58.1-137.3177.700000112.9K298 S299 K368K298-G301 PolarHBondContact O-N 3.19Å; S299-G301 PolarHBondContact O-N 3.29Å; G301-K368 PolarHBondContact O-NZ 3.33Å
302E95.6Very high94.9Very high179 Ų17941.5 Ų41.584%0.83623%0.227SC*.THydrogen-bonded Turntrans-70.1-30.9178-66.5-82.1147.700112.4G304E302-G304 PolarHBondContact O-N 3.18Å
303H97Very high93.9Very high99 Ų9938 Ų3846%0.45821%0.212SC..THydrogen-bonded Turntrans-70.3-31.9-172.6-60.1-61.9000113S300 P333 Q334S300-H303 PolarHBondContact O-N 3.44Å; H303-P333 HydrophobicContact CB-CB 4.43Å; H303-Q334 HydrophobicContact CB-CG 4.22Å; H303-Q334 WeakPolarHBondContact O-CG 2.96Å
304G98.1Very high92.9Very high0 Ų037.3 Ų37.30%021%0.209CC..  trans76.8-166179.700000113.9S300 E302 Q334 K335 K368S300-G304 VanDerWaalsContact CB-O 3.28Å; S300-G304 WeakPolarHBondContact CB-O 3.48Å; S300-G304 PolarHBondContact O-N 3.01Å; S300-G304 WeakPolarHBondContact OG-CA 3.44Å; E302-G304 PolarHBondContact O-N 3.18Å; G304-Q334 WeakPolarHBondContact O-CA 3.09Å; G304-Q334 WeakPolarHBondContact O-CB 3.29Å; G304-K335 PolarHBondContact O-N 3.34Å; G304-K368 CarbonylContact C-O 3.51Å; G304-K368 VanDerWaalsContact CA-O 3.26Å; G304-K368 WeakPolarHBondContact CA-O 3.32Å
305V98.7Very high91.7Very high0 Ų037.6 Ų37.60%022%0.216CC..EExtended strand (participates in β ladder)trans-124.8136.2-166.8-172.10000111.6M297 I307 K335 I337 K368 K370M297-V305 HydrophobicContact CE-CB 3.89Å; M297-V305 HydrophobicContact CE-CG1 4.19Å; M297-V305 HydrophobicContact CE-CG2 3.86Å; M297-V305 HydrophobicContact SD-CB 3.97Å; M297-V305 HydrophobicContact SD-CG1 3.77Å; M297-V305 HydrophobicContact SD-CG2 3.68Å; V305-I307 HydrophobicContact CG1-CD1 3.67Å; V305-K335 CarbonylContact C-O 3.6Å; V305-K335 VanDerWaalsContact CA-O 3.31Å; V305-K335 WeakPolarHBondContact CA-O 3.28Å; V305-K335 HydrophobicContact CG2-CB 4.25Å; V305-I337 HydrophobicContact CG1-CD1 4.37Å; V305-I337 HydrophobicContact CG1-CG1 4.08Å; V305-K368 HydrophobicContact CG2-CB 4.18Å; V305-K368 PolarHBondContact N-O 3.15Å; V305-K370 PolarHBondContact O-N 3.06Å
306V98.7Very high90.6Very high0 Ų036.5 Ų36.50%021%0.207CC..EExtended strand (participates in β ladder)trans-98.2131.5167.1178.80000108.9Q334 K335 V336 I337 V371 I373 L430 L434V306-Q334 HydrophobicContact CG2-CB 4.09Å; V306-Q334 HydrophobicContact CG2-CG 4.26Å; V306-K335 PolarHBondContact N-O 3.24Å; V306-V336 HydrophobicContact CB-CG2 4.28Å; V306-V336 CarbonylContact O-C 3.55Å; V306-V336 WeakPolarHBondContact O-CA 3.37Å; V306-I337 PolarHBondContact O-N 3.02Å; V306-V371 HydrophobicContact CG2-CB 4.48Å; V306-I373 HydrophobicContact CG1-CD1 3.33Å; V306-I373 HydrophobicContact CG1-CG1 3.84Å; V306-L430 HydrophobicContact CG1-CD2 4.46Å; V306-L434 HydrophobicContact CG2-CD1 4.44Å; V306-L434 HydrophobicContact CG2-CD2 4.27Å
307I98.4Very high90.1Very high0 Ų035.7 Ų35.70%020%0.204CC..EExtended strand (participates in β ladder)trans-108.3134.1176.5-52.7-60.3000108.5V305 I337 L358 L363 T369 V371 F372 I373V305-I307 HydrophobicContact CG1-CD1 3.67Å; I307-I337 CarbonylContact C-O 3.59Å; I307-I337 WeakPolarHBondContact CA-O 3.42Å; I307-I337 HydrophobicContact CD1-CB 3.87Å; I307-I337 HydrophobicContact CD1-CD1 3.99Å; I307-I337 HydrophobicContact CD1-CG1 4.1Å; I307-L358 HydrophobicContact CG2-CD1 4.01Å; I307-L363 HydrophobicContact CD1-CB 4.16Å; I307-L363 HydrophobicContact CD1-CD1 4.34Å; I307-L363 HydrophobicContact CD1-CD2 4.29Å; I307-L363 HydrophobicContact CG1-CB 4.36Å; I307-T369 HydrophobicContact CG1-CG2 3.98Å; I307-V371 PolarHBondContact N-O 2.92Å; I307-F372 HydrophobicContact CB-CD2 4.25Å; I307-F372 HydrophobicContact CG2-CD2 4.22Å; I307-F372 HydrophobicContact CG2-CE2 4.4Å; I307-F372 CarbonylContact O-C 3.52Å; I307-F372 WeakPolarHBondContact O-CA 3.38Å; I307-F372 WeakPolarHBondContact O-CD2 3.16Å; I307-I373 PolarHBondContact O-N 3.25Å
308M97.4Very high89.7Confident0 Ų038.4 Ų38.40%022%0.221CC..EExtended strand (participates in β ladder)trans-125127.9176.1-177.5171.7176.800112.3L310 I325 F329 I337 W338 R339 I373 L394M308-L310 HydrophobicContact CE-CD1 3.93Å; M308-L310 HydrophobicContact CE-CD2 4Å; M308-L310 HydrophobicContact CE-CG 3.96Å; M308-I325 HydrophobicContact CE-CD1 4.22Å; M308-I325 HydrophobicContact CE-CG2 4.41Å; M308-I325 HydrophobicContact SD-CG2 4Å; M308-F329 HydrophobicContact CB-CZ 4.41Å; M308-F329 HydrophobicContact SD-CE2 3.84Å; M308-F329 HydrophobicContact SD-CZ 3.58Å; M308-F329 VanDerWaalsContact SD-CZ 3.58Å; M308-I337 PolarHBondContact N-O 2.84Å; M308-W338 HydrophobicContact CB-CB 4.27Å; M308-W338 HydrophobicContact CB-CG 4.12Å; M308-W338 HydrophobicContact CE-CZ2 4.28Å; M308-W338 HydrophobicContact CG-CG 4.29Å; M308-W338 HydrophobicContact SD-CD2 4.11Å; M308-W338 HydrophobicContact SD-CG 4.15Å; M308-W338 HydrophobicContact SD-CZ2 4.28Å; M308-R339 PolarHBondContact O-N 3.4Å; M308-I373 WeakPolarHBondContact CA-O 3.35Å; M308-I373 HydrophobicContact CB-CB 3.97Å; M308-I373 HydrophobicContact CB-CD1 4.2Å; M308-I373 HydrophobicContact CB-CG2 4.48Å; M308-I373 HydrophobicContact CE-CG2 4.25Å; M308-I373 HydrophobicContact CG-CB 3.88Å; M308-I373 HydrophobicContact CG-CG2 3.85Å; M308-I373 HydrophobicContact SD-CB 4.5Å; M308-I373 HydrophobicContact SD-CD1 4.45Å; M308-I373 HydrophobicContact SD-CG2 4.04Å; M308-L394 HydrophobicContact CE-CD1 3.91Å
309S95Very high89.4Confident8 Ų837.9 Ų37.96%0.05622%0.221CC..EExtended strand (participates in β ladder)trans-149.8127.1175.6-173.60000112.2Q360 I373 A374S309-Q360 PolarHBondContact OG-OE1 3.44Å; S309-Q360 VanDerWaalsContact OG-OE1 3.06Å; S309-I373 PolarHBondContact N-O 2.89Å; S309-A374 WeakPolarHBondContact O-CA 3.35Å
310L91.4Very high89.2Confident9 Ų936.8 Ų36.85%0.04722%0.22CC..  trans-101.220.1178-57.8179.1000113.3M308 V314 L317 H375 L394 L396M308-L310 HydrophobicContact CE-CD1 3.93Å; M308-L310 HydrophobicContact CE-CD2 4Å; M308-L310 HydrophobicContact CE-CG 3.96Å; L310-V314 HydrophobicContact CB-CB 4.06Å; L310-V314 HydrophobicContact CB-CG1 4.18Å; L310-V314 HydrophobicContact CD1-CG1 4.24Å; L310-L317 HydrophobicContact CD1-CD1 3.71Å; L310-L317 HydrophobicContact CD1-CD2 3.97Å; L310-L317 HydrophobicContact CD1-CG 3.6Å; L310-H375 HydrophobicContact CB-CB 4.27Å; L310-H375 HydrophobicContact CD2-CB 3.93Å; L310-H375 PolarHBondContact O-CD2 3.11Å; L310-L394 HydrophobicContact CD2-CB 4.29Å; L310-L394 HydrophobicContact CD2-CD1 4.33Å; L310-L396 HydrophobicContact CB-CD1 4.46Å; L310-L396 HydrophobicContact CD1-CD1 4.4Å
311G83.5Confident89.1Confident14 Ų1437.5 Ų37.514%0.14422%0.223CC..  trans83.8-162.1176.100000113.8R339G311-R339 PolarHBondContact O-NH1 2.79Å
312T74Confident89.1Confident35 Ų3536.1 Ų36.122%0.21521%0.207CC..SBendtrans-92.7-25.1-171.3510000114I38 W357I38-T312 HydrophobicContact CD1-CG2 4.12Å; T312-W357 HydrophobicContact CG2-CH2 4.33Å
313L71.8Confident89.2Confident63 Ų6328.6 Ų28.633%0.3317%0.172SC..SBendtrans-88.5-20.7-175.9-64.1176.7000113.2W63 Y89 F398W63-L313 HydrophobicContact CZ3-CD2 4.27Å; Y89-L313 HydrophobicContact CD1-CD1 4Å; Y89-L313 HydrophobicContact CD2-CD2 4.2Å; Y89-L313 HydrophobicContact CE1-CD1 3.99Å; Y89-L313 HydrophobicContact CE2-CD2 4.18Å; Y89-L313 HydrophobicContact CG-CD1 4.42Å; Y89-L313 HydrophobicContact CG-CD2 4.48Å; L313-F398 HydrophobicContact CD1-CE2 4.45Å
314V75.3Confident89.2Confident10 Ų1026.4 Ų26.46%0.06116%0.164CC..  trans-107.3108.8-176.7-172.60000108.9I93 L310 L317 R339 L396I93-V314 HydrophobicContact CD1-CG2 3.66Å; L310-V314 HydrophobicContact CB-CB 4.06Å; L310-V314 HydrophobicContact CB-CG1 4.18Å; L310-V314 HydrophobicContact CD1-CG1 4.24Å; V314-L317 HydrophobicContact CG1-CD2 4.32Å; V314-R339 PolarHBondContact O-NH1 3.39Å; V314-L396 HydrophobicContact CB-CD1 4.31Å; V314-L396 HydrophobicContact CG1-CD1 4.03Å; V314-L396 HydrophobicContact CG2-CD1 3.74Å
315S71.6Confident89.2Confident48 Ų4826.4 Ų26.434%0.33616%0.164SC..SBendtrans-78.5-44.3176.250.90000111.6D341S315-D341 WeakPolarHBondContact CB-O 3.37Å; S315-D341 PolarHBondContact O-N 3.05Å
316A73.6Confident89.2Confident36 Ų3626.4 Ų26.430%0.29816%0.164SC..  trans-153.1159.3177.700000111.5F340A316-F340 HydrophobicContact CB-CD2 4.32Å; A316-F340 HydrophobicContact CB-CE2 3.52Å; A316-F340 HydrophobicContact CB-CZ 4Å
317L86.9Confident89.2Confident13 Ų1327.2 Ų27.27%0.06817%0.171CC..  trans-89166.4168.3-67.5177.6000109.9L310 V314 H319 I321 T322 I325 L396 V418L310-L317 HydrophobicContact CD1-CD1 3.71Å; L310-L317 HydrophobicContact CD1-CD2 3.97Å; L310-L317 HydrophobicContact CD1-CG 3.6Å; V314-L317 HydrophobicContact CG1-CD2 4.32Å; L317-H319 PolarHBondContact O-N 3Å; L317-I321 HydrophobicContact CB-CB 4.41Å; L317-I321 HydrophobicContact CB-CG2 4.02Å; L317-I321 HydrophobicContact CD1-CG2 3.72Å; L317-I321 HydrophobicContact CG-CG2 4.49Å; L317-T322 PolarHBondContact O-OG1 2.88Å; L317-I325 HydrophobicContact CD1-CD1 3.77Å; L317-L396 HydrophobicContact CD2-CD1 4.05Å; L317-L396 HydrophobicContact CD2-CD2 3.77Å; L317-V418 HydrophobicContact CD1-CG1 4.16Å; L317-V418 HydrophobicContact CD2-CG1 4.23Å
318P90Very high89.2Confident57 Ų5727.2 Ų27.237%0.3717%0.171SC..  trans-49143.1173.6-28.836.2000112.3M97 G320 I321 T322M97-P318 HydrophobicContact CE-CG 4.23Å; P318-G320 VanDerWaalsContact C-N 3.33Å; P318-G320 PolarHBondContact O-N 3.24Å; P318-I321 HydrophobicContact CB-CD1 4.34Å; P318-I321 HydrophobicContact CG-CD1 4.21Å; P318-I321 PolarHBondContact O-N 3.43Å; P318-T322 PolarHBondContact O-N 3.2Å; P318-T322 PolarHBondContact O-OG1 2.73Å
319H91.3Very high89.2Confident116 Ų11627.2 Ų27.254%0.53717%0.171SC..Hα-helixtrans-49.4-48.9-170-178.4-81000113.4L317 I321 T322 E323L317-H319 PolarHBondContact O-N 3Å; H319-I321 PolarHBondContact O-N 3.34Å; H319-T322 WeakPolarHBondContact O-CB 3.27Å; H319-T322 PolarHBondContact O-N 2.93Å; H319-T322 VanDerWaalsContact O-N 3.14Å; H319-E323 VanDerWaalsContact CE1-CG 3.46Å; H319-E323 WeakPolarHBondContact CE1-CG 3.18Å; H319-E323 IonicContact CE1-OE1 3.49Å; H319-E323 IonicContact NE2-OE1 3.44Å; H319-E323 WeakPolarHBondContact O-CG 3.36Å; H319-E323 PolarHBondContact O-N 3.49Å
320G92.9Very high89.4Confident44 Ų4429 Ų2945%0.45419%0.186SC..Hα-helixtrans-59.5-41.2179.700000113.9P318 T322 E323 D324P318-G320 VanDerWaalsContact C-N 3.33Å; P318-G320 PolarHBondContact O-N 3.24Å; G320-T322 VanDerWaalsContact C-N 3.34Å; G320-E323 PolarHBondContact O-N 3.5Å; G320-D324 PolarHBondContact O-N 3.01Å
321I94.1Very high89.7Confident21 Ų2133.3 Ų33.311%0.10821%0.206CC..Hα-helixtrans-67.7-38.7177-68.6167.9000110.5M97 L317 P318 H319 D324 I325 V418 L421M97-I321 HydrophobicContact CE-CD1 3.49Å; M97-I321 VanDerWaalsContact CE-CD1 3.49Å; L317-I321 HydrophobicContact CB-CB 4.41Å; L317-I321 HydrophobicContact CB-CG2 4.02Å; L317-I321 HydrophobicContact CD1-CG2 3.72Å; L317-I321 HydrophobicContact CG-CG2 4.49Å; P318-I321 HydrophobicContact CB-CD1 4.34Å; P318-I321 HydrophobicContact CG-CD1 4.21Å; P318-I321 PolarHBondContact O-N 3.43Å; H319-I321 PolarHBondContact O-N 3.34Å; I321-D324 PolarHBondContact O-N 2.83Å; I321-I325 HydrophobicContact CG2-CD1 3.81Å; I321-I325 WeakPolarHBondContact O-CD1 3.43Å; I321-I325 VanDerWaalsContact O-CG1 3.29Å; I321-I325 WeakPolarHBondContact O-CG1 3.28Å; I321-I325 PolarHBondContact O-N 3.49Å; I321-V418 HydrophobicContact CD1-CG1 4.08Å; I321-V418 HydrophobicContact CG2-CG1 4.27Å; I321-L421 HydrophobicContact CG2-CD1 4.49Å; I321-L421 HydrophobicContact CG2-CD2 4.28Å
322T95.3Very high90.3Very high6 Ų633.1 Ų33.14%0.03720%0.202CC..Hα-helixtrans-65.4-40.6177.4-57.50000111.3L317 P318 H319 G320 I325 A326 W338 F340 P345L317-T322 PolarHBondContact O-OG1 2.88Å; P318-T322 PolarHBondContact O-N 3.2Å; P318-T322 PolarHBondContact O-OG1 2.73Å; H319-T322 WeakPolarHBondContact O-CB 3.27Å; H319-T322 PolarHBondContact O-N 2.93Å; H319-T322 VanDerWaalsContact O-N 3.14Å; G320-T322 VanDerWaalsContact C-N 3.34Å; T322-I325 PolarHBondContact O-N 3.1Å; T322-A326 WeakPolarHBondContact O-CB 3.37Å; T322-A326 PolarHBondContact O-N 2.62Å; T322-W338 HydrophobicContact CG2-CH2 3.58Å; T322-W338 HydrophobicContact CG2-CZ2 4Å; T322-F340 HydrophobicContact CG2-CD2 4.42Å; T322-F340 HydrophobicContact CG2-CE2 3.49Å; T322-F340 VanDerWaalsContact CG2-CE2 3.49Å; T322-F340 HydrophobicContact CG2-CZ 3.65Å; T322-P345 HydrophobicContact CG2-CG 3.55Å
323E97.3Very high91.4Very high22 Ų2235.1 Ų35.110%0.10322%0.215CC..Hα-helixtrans-63.1-44.8172.8-71.9-71.2-174.700111.7H319 G320 I325 A326 A327 S346 T347H319-E323 VanDerWaalsContact CE1-CG 3.46Å; H319-E323 WeakPolarHBondContact CE1-CG 3.18Å; H319-E323 IonicContact CE1-OE1 3.49Å; H319-E323 IonicContact NE2-OE1 3.44Å; H319-E323 WeakPolarHBondContact O-CG 3.36Å; H319-E323 PolarHBondContact O-N 3.49Å; G320-E323 PolarHBondContact O-N 3.5Å; E323-I325 VanDerWaalsContact C-N 3.33Å; E323-I325 PolarHBondContact O-N 2.65Å; E323-A326 PolarHBondContact O-N 3.07Å; E323-A327 VanDerWaalsContact O-CB 3.32Å; E323-A327 WeakPolarHBondContact O-CB 3.4Å; E323-A327 PolarHBondContact O-N 2.76Å; E323-S346 WeakPolarHBondContact OE1-CB 3.42Å; E323-S346 PolarHBondContact OE1-N 3.48Å; E323-S346 PolarHBondContact OE1-OG 3.39Å; E323-S346 PolarHBondContact OE2-N 2.87Å; E323-S346 PolarHBondContact OE2-OG 3.15Å; E323-T347 PolarHBondContact O-OG1 2.95Å; E323-T347 WeakPolarHBondContact OE2-CB 3.34Å; E323-T347 VanDerWaalsContact OE2-CG2 3.29Å; E323-T347 WeakPolarHBondContact OE2-CG2 3.48Å; E323-T347 PolarHBondContact OE2-N 2.91Å; E323-T347 PolarHBondContact OE2-OG1 2.88Å
324D97.9Very high92.7Very high52 Ų5233.1 Ų33.128%0.27820%0.204SC..Hα-helixtrans-60.1-42.1177.4-81.6-24.7000112.7G320 I321 A328 L421 K423G320-D324 PolarHBondContact O-N 3.01Å; I321-D324 PolarHBondContact O-N 2.83Å; D324-A328 WeakPolarHBondContact O-CB 3.29Å; D324-A328 PolarHBondContact O-N 3.03Å; D324-L421 HydrophobicContact CB-CD2 4.01Å; D324-K423 HydrophobicContact CB-CB 4.28Å
325I97.9Very high93.8Very high0 Ų035.1 Ų35.10%021%0.212CC..Hα-helixtrans-63.7-46.2175.3-72.3162.9000110.9M308 L317 I321 T322 E323 A328 F329 W338 L421 F426M308-I325 HydrophobicContact CE-CD1 4.22Å; M308-I325 HydrophobicContact CE-CG2 4.41Å; M308-I325 HydrophobicContact SD-CG2 4Å; L317-I325 HydrophobicContact CD1-CD1 3.77Å; I321-I325 HydrophobicContact CG2-CD1 3.81Å; I321-I325 WeakPolarHBondContact O-CD1 3.43Å; I321-I325 VanDerWaalsContact O-CG1 3.29Å; I321-I325 WeakPolarHBondContact O-CG1 3.28Å; I321-I325 PolarHBondContact O-N 3.49Å; T322-I325 PolarHBondContact O-N 3.1Å; E323-I325 VanDerWaalsContact C-N 3.33Å; E323-I325 PolarHBondContact O-N 2.65Å; I325-A328 PolarHBondContact O-N 3.06Å; I325-F329 HydrophobicContact CG2-CD2 3.89Å; I325-F329 HydrophobicContact CG2-CE1 4.4Å; I325-F329 HydrophobicContact CG2-CE2 3.3Å; I325-F329 HydrophobicContact CG2-CZ 3.61Å; I325-F329 WeakPolarHBondContact O-CD2 3.31Å; I325-F329 WeakPolarHBondContact O-CG 3.17Å; I325-F329 PolarHBondContact O-N 2.76Å; I325-W338 HydrophobicContact CB-CH2 4.14Å; I325-W338 HydrophobicContact CG2-CH2 3.6Å; I325-W338 HydrophobicContact CG2-CZ2 4.02Å; I325-W338 HydrophobicContact CG2-CZ3 3.89Å; I325-L421 HydrophobicContact CD1-CD1 4.14Å; I325-L421 HydrophobicContact CD1-CD2 4.49Å; I325-L421 HydrophobicContact CG1-CD1 4.1Å; I325-L421 HydrophobicContact CG1-CD2 3.88Å; I325-F426 HydrophobicContact CB-CE1 4.15Å; I325-F426 HydrophobicContact CG1-CD1 4.16Å; I325-F426 HydrophobicContact CG1-CE1 3.97Å; I325-F426 HydrophobicContact CG1-CZ 4.22Å; I325-F426 HydrophobicContact CG2-CE1 3.84Å; I325-F426 HydrophobicContact CG2-CZ 4.21Å
326A98.2Very high95.1Very high0 Ų032.9 Ų32.90%020%0.196CC..Hα-helixtrans-64-41.7179.600000112.1T322 E323 F329 A330 W338 P345 T347 L348T322-A326 WeakPolarHBondContact O-CB 3.37Å; T322-A326 PolarHBondContact O-N 2.62Å; E323-A326 PolarHBondContact O-N 3.07Å; A326-F329 PolarHBondContact O-N 2.85Å; A326-A330 PolarHBondContact O-N 2.94Å; A326-W338 HydrophobicContact CB-CZ3 4.1Å; A326-P345 HydrophobicContact CB-CB 3.56Å; A326-P345 HydrophobicContact CB-CG 3.97Å; A326-T347 WeakPolarHBondContact CB-OG1 3.44Å; A326-L348 HydrophobicContact CB-CD1 4.26Å
327A98.4Very high96.3Very high18 Ų1831.1 Ų31.115%0.14918%0.182CC..Hα-helixtrans-63.5-40.6175.700000112.2E323 A330 T347 K423E323-A327 VanDerWaalsContact O-CB 3.32Å; E323-A327 WeakPolarHBondContact O-CB 3.4Å; E323-A327 PolarHBondContact O-N 2.76Å; A327-A330 PolarHBondContact O-N 2.82Å; A327-T347 HydrophobicContact CB-CG2 4.23Å; A327-T347 PolarHBondContact N-OG1 2.74Å; A327-K423 HydrophobicContact CB-CD 3.94Å; A327-K423 HydrophobicContact CB-CG 3.97Å
328A98.5Very high96.7Very high0 Ų030.7 Ų30.70%018%0.179CC..Hα-helixtrans-65.5-42.9175.300000111.8D324 I325 A330 E331 K423 F426 L427D324-A328 WeakPolarHBondContact O-CB 3.29Å; D324-A328 PolarHBondContact O-N 3.03Å; I325-A328 PolarHBondContact O-N 3.06Å; A328-A330 VanDerWaalsContact C-N 3.27Å; A328-A330 PolarHBondContact O-N 3.2Å; A328-E331 PolarHBondContact O-N 2.81Å; A328-K423 HydrophobicContact CB-CG 4.15Å; A328-F426 HydrophobicContact CB-CD1 3.65Å; A328-F426 HydrophobicContact CB-CE1 4.32Å; A328-L427 HydrophobicContact CB-CB 4.01Å
329F98.6Very high96.9Very high0 Ų029.1 Ų29.10%017%0.166CC..Hα-helixtrans-60.1-37.2175.3-68.7-26.7000112.7M308 I325 A326 E331 L332 V336 W338 N351 T352 I373 F426 L430M308-F329 HydrophobicContact CB-CZ 4.41Å; M308-F329 HydrophobicContact SD-CE2 3.84Å; M308-F329 HydrophobicContact SD-CZ 3.58Å; M308-F329 VanDerWaalsContact SD-CZ 3.58Å; I325-F329 HydrophobicContact CG2-CD2 3.89Å; I325-F329 HydrophobicContact CG2-CE1 4.4Å; I325-F329 HydrophobicContact CG2-CE2 3.3Å; I325-F329 HydrophobicContact CG2-CZ 3.61Å; I325-F329 WeakPolarHBondContact O-CD2 3.31Å; I325-F329 WeakPolarHBondContact O-CG 3.17Å; I325-F329 PolarHBondContact O-N 2.76Å; A326-F329 PolarHBondContact O-N 2.85Å; F329-E331 PolarHBondContact O-N 2.85Å; F329-E331 VanDerWaalsContact O-N 3.15Å; F329-L332 HydrophobicContact CD1-CD1 4.16Å; F329-L332 WeakPolarHBondContact O-CB 3.48Å; F329-L332 PolarHBondContact O-N 3.26Å; F329-L332 VanDerWaalsContact O-N 3.07Å; F329-V336 HydrophobicContact CB-CG2 4.1Å; F329-V336 HydrophobicContact CD1-CG1 4.27Å; F329-V336 HydrophobicContact CD1-CG2 4.05Å; F329-V336 HydrophobicContact CD2-CG1 3.91Å; F329-V336 HydrophobicContact CE1-CG1 4.24Å; F329-V336 HydrophobicContact CE2-CG1 3.87Å; F329-V336 HydrophobicContact CG-CB 4.48Å; F329-V336 HydrophobicContact CG-CG1 4.11Å; F329-V336 HydrophobicContact CG-CG2 4.02Å; F329-V336 HydrophobicContact CZ-CG1 4.04Å; F329-W338 AromaticContact CD2-CE3 3.91Å; F329-W338 HydrophobicContact CD2-CE3 3.91Å; F329-W338 HydrophobicContact CD2-CZ3 4.13Å; F329-W338 HydrophobicContact CE2-CD2 4.02Å; F329-W338 AromaticContact CE2-CE3 3.65Å; F329-W338 HydrophobicContact CE2-CE3 3.65Å; F329-W338 HydrophobicContact CE2-CZ3 4.01Å; F329-N351 PolarHBondContact O-ND2 3.4Å; F329-T352 HydrophobicContact CD2-CG2 4.39Å; F329-I373 HydrophobicContact CE1-CD1 3.45Å; F329-I373 VanDerWaalsContact CE1-CD1 3.45Å; F329-I373 HydrophobicContact CZ-CD1 3.52Å; F329-F426 HydrophobicContact CD1-CE1 4.19Å; F329-F426 AromaticContact CE1-CE1 3.62Å; F329-F426 HydrophobicContact CE1-CE1 3.62Å; F329-F426 AromaticContact CE1-CZ 3.91Å; F329-F426 HydrophobicContact CE1-CZ 3.91Å; F329-F426 AromaticContact CZ-CE1 3.99Å; F329-F426 HydrophobicContact CZ-CE1 3.99Å; F329-F426 HydrophobicContact CZ-CZ 4.06Å; F329-L430 HydrophobicContact CD1-CD1 4.07Å; F329-L430 HydrophobicContact CE1-CD1 3.82Å
330A98.2Very high97Very high46 Ų4624 Ų2438%0.3814%0.142SC..Hα-helixtrans-61.6-21.2179.400000113.8A326 A327 A328A326-A330 PolarHBondContact O-N 2.94Å; A327-A330 PolarHBondContact O-N 2.82Å; A328-A330 VanDerWaalsContact C-N 3.27Å; A328-A330 PolarHBondContact O-N 3.2Å
331E98.1Very high96.6Very high99 Ų9925.4 Ų25.446%0.46314%0.139SC..THydrogen-bonded Turntrans-89.4-8.1177.4-66-165.1-165.300114.2A328 F329 K423 L427A328-E331 PolarHBondContact O-N 2.81Å; F329-E331 PolarHBondContact O-N 2.85Å; F329-E331 VanDerWaalsContact O-N 3.15Å; E331-K423 WeakPolarHBondContact OE1-CE 3.16Å; E331-K423 IonicContact OE1-NZ 3.66Å; E331-K423 PolarHBondContact OE1-NZ 3.43Å; E331-L427 HydrophobicContact CB-CD1 4.33Å; E331-L427 HydrophobicContact CB-CD2 4.08Å; E331-L427 HydrophobicContact CG-CD2 4.46Å; E331-L427 WeakPolarHBondContact OE2-CD2 3.32Å
332L97.3Very high96.3Very high10 Ų1026 Ų265%0.05215%0.15CC..  trans-81.5139.5-179.4-68.2-179.9000111.8F329 Q334 N351 L427 L430 L434F329-L332 HydrophobicContact CD1-CD1 4.16Å; F329-L332 WeakPolarHBondContact O-CB 3.48Å; F329-L332 PolarHBondContact O-N 3.26Å; F329-L332 VanDerWaalsContact O-N 3.07Å; L332-Q334 HydrophobicContact CB-CB 4.43Å; L332-Q334 PolarHBondContact O-N 2.8Å; L332-N351 PolarHBondContact O-ND2 2.82Å; L332-L427 HydrophobicContact CD2-CD1 3.78Å; L332-L427 HydrophobicContact CG-CD1 4.27Å; L332-L430 HydrophobicContact CD1-CD1 4.22Å; L332-L434 HydrophobicContact CD2-CD1 4.24Å
333P96.9Very high96.1Very high77 Ų7733.2 Ų33.250%0.518%0.184SC..SBendtrans-71-19.116730.4-35.5000112.6H303H303-P333 HydrophobicContact CB-CB 4.43Å
334Q98.4Very high95.9Very high20 Ų2039.3 Ų39.39%0.09321%0.21CC..SBendtrans-66.7152.2175.2-69.776.210.100111.7H303 G304 V306 L332 N351 L434H303-Q334 HydrophobicContact CB-CG 4.22Å; H303-Q334 WeakPolarHBondContact O-CG 2.96Å; G304-Q334 WeakPolarHBondContact O-CA 3.09Å; G304-Q334 WeakPolarHBondContact O-CB 3.29Å; V306-Q334 HydrophobicContact CG2-CB 4.09Å; V306-Q334 HydrophobicContact CG2-CG 4.26Å; L332-Q334 HydrophobicContact CB-CB 4.43Å; L332-Q334 PolarHBondContact O-N 2.8Å; Q334-N351 PolarHBondContact O-ND2 3.26Å; Q334-L434 HydrophobicContact CG-CD1 4.35Å; Q334-L434 HydrophobicContact CG-CD2 4.26Å
335K98.5Very high95.8Very high53 Ų5337.1 Ų37.123%0.2320%0.198CC..EExtended strand (participates in β ladder)trans-78.1150.2160.8-64.3-64.3-173.9-177.60109.5F296 S299 G304 V305 V306 N351F296-K335 HydrophobicContact CE1-CB 3.72Å; F296-K335 HydrophobicContact CE1-CG 4.4Å; F296-K335 HydrophobicContact CE2-CD 4.26Å; F296-K335 HydrophobicContact CZ-CB 3.84Å; F296-K335 HydrophobicContact CZ-CD 4.08Å; F296-K335 HydrophobicContact CZ-CG 4.28Å; S299-K335 WeakPolarHBondContact OG-CE 3.23Å; G304-K335 PolarHBondContact O-N 3.34Å; V305-K335 CarbonylContact C-O 3.6Å; V305-K335 VanDerWaalsContact CA-O 3.31Å; V305-K335 WeakPolarHBondContact CA-O 3.28Å; V305-K335 HydrophobicContact CG2-CB 4.25Å; V306-K335 PolarHBondContact N-O 3.24Å; K335-N351 WeakPolarHBondContact CA-O 2.93Å; K335-N351 HydrophobicContact CD-CB 4.22Å
336V98.6Very high95.8Very high0 Ų042.2 Ų42.20%023%0.234CC..EExtended strand (participates in β ladder)trans-124.7131.2178-174.30000109.4V306 F329 W338 N351 T352 K353V306-V336 HydrophobicContact CB-CG2 4.28Å; V306-V336 CarbonylContact O-C 3.55Å; V306-V336 WeakPolarHBondContact O-CA 3.37Å; F329-V336 HydrophobicContact CB-CG2 4.1Å; F329-V336 HydrophobicContact CD1-CG1 4.27Å; F329-V336 HydrophobicContact CD1-CG2 4.05Å; F329-V336 HydrophobicContact CD2-CG1 3.91Å; F329-V336 HydrophobicContact CE1-CG1 4.24Å; F329-V336 HydrophobicContact CE2-CG1 3.87Å; F329-V336 HydrophobicContact CG-CB 4.48Å; F329-V336 HydrophobicContact CG-CG1 4.11Å; F329-V336 HydrophobicContact CG-CG2 4.02Å; F329-V336 HydrophobicContact CZ-CG1 4.04Å; V336-W338 HydrophobicContact CG1-CB 4.47Å; V336-N351 PolarHBondContact N-O 3.41Å; V336-T352 HydrophobicContact CB-CG2 3.94Å; V336-T352 HydrophobicContact CG1-CG2 4.07Å; V336-T352 CarbonylContact O-C 3.55Å; V336-T352 WeakPolarHBondContact O-CA 3.15Å; V336-K353 PolarHBondContact O-N 3.02Å
337I98.1Very high95.7Very high0 Ų044.8 Ų44.80%025%0.25CC..EExtended strand (participates in β ladder)trans-110.6119.7165.3-52.9179.8000107.6L293 F296 M297 V305 V306 I307 M308 K353 V355 L358 L363L293-I337 HydrophobicContact CD2-CD1 4.42Å; F296-I337 HydrophobicContact CD1-CD1 3.86Å; F296-I337 HydrophobicContact CD1-CG1 3.73Å; F296-I337 HydrophobicContact CE1-CD1 4.11Å; F296-I337 HydrophobicContact CE1-CG1 3.44Å; F296-I337 VanDerWaalsContact CE1-CG1 3.44Å; M297-I337 HydrophobicContact SD-CD1 3.59Å; M297-I337 VanDerWaalsContact SD-CD1 3.59Å; V305-I337 HydrophobicContact CG1-CD1 4.37Å; V305-I337 HydrophobicContact CG1-CG1 4.08Å; V306-I337 PolarHBondContact O-N 3.02Å; I307-I337 CarbonylContact C-O 3.59Å; I307-I337 WeakPolarHBondContact CA-O 3.42Å; I307-I337 HydrophobicContact CD1-CB 3.87Å; I307-I337 HydrophobicContact CD1-CD1 3.99Å; I307-I337 HydrophobicContact CD1-CG1 4.1Å; M308-I337 PolarHBondContact N-O 2.84Å; I337-K353 WeakPolarHBondContact CA-O 3.45Å; I337-V355 HydrophobicContact CG2-CG1 4.3Å; I337-V355 HydrophobicContact CG2-CG2 4.02Å; I337-L358 HydrophobicContact CB-CD2 4.45Å; I337-L358 HydrophobicContact CG2-CD2 3.45Å; I337-L358 VanDerWaalsContact CG2-CD2 3.45Å; I337-L363 HydrophobicContact CD1-CD1 4.36Å; I337-L363 HydrophobicContact CD1-CD2 3.74Å
338W97.1Very high95.7Very high4 Ų445.6 Ų45.62%0.01525%0.251CS..EExtended strand (participates in β ladder)trans-122.5116.5-174.7-179.99.5000110.5M308 T322 I325 A326 F329 V336 F340 P345 L348 T352 K353 L354 V355M308-W338 HydrophobicContact CB-CB 4.27Å; M308-W338 HydrophobicContact CB-CG 4.12Å; M308-W338 HydrophobicContact CE-CZ2 4.28Å; M308-W338 HydrophobicContact CG-CG 4.29Å; M308-W338 HydrophobicContact SD-CD2 4.11Å; M308-W338 HydrophobicContact SD-CG 4.15Å; M308-W338 HydrophobicContact SD-CZ2 4.28Å; T322-W338 HydrophobicContact CG2-CH2 3.58Å; T322-W338 HydrophobicContact CG2-CZ2 4Å; I325-W338 HydrophobicContact CB-CH2 4.14Å; I325-W338 HydrophobicContact CG2-CH2 3.6Å; I325-W338 HydrophobicContact CG2-CZ2 4.02Å; I325-W338 HydrophobicContact CG2-CZ3 3.89Å; A326-W338 HydrophobicContact CB-CZ3 4.1Å; F329-W338 AromaticContact CD2-CE3 3.91Å; F329-W338 HydrophobicContact CD2-CE3 3.91Å; F329-W338 HydrophobicContact CD2-CZ3 4.13Å; F329-W338 HydrophobicContact CE2-CD2 4.02Å; F329-W338 AromaticContact CE2-CE3 3.65Å; F329-W338 HydrophobicContact CE2-CE3 3.65Å; F329-W338 HydrophobicContact CE2-CZ3 4.01Å; V336-W338 HydrophobicContact CG1-CB 4.47Å; W338-F340 HydrophobicContact CD2-CB 4.22Å; W338-F340 AromaticContact CE2-CD2 3.81Å; W338-F340 HydrophobicContact CG-CB 4.16Å; W338-F340 HydrophobicContact CH2-CD2 4.45Å; W338-F340 AromaticContact CZ2-CD2 3.7Å; W338-F340 HydrophobicContact CZ2-CD2 3.7Å; W338-F340 HydrophobicContact CZ2-CE2 4.14Å; W338-F340 HydrophobicContact CZ2-CG 4.39Å; W338-F340 AromaticContact NE1-CD2 3.95Å; W338-F340 PolarHBondContact O-N 2.67Å; W338-P345 HydrophobicContact CH2-CG 4.49Å; W338-P345 HydrophobicContact CZ3-CG 4.43Å; W338-L348 HydrophobicContact CE3-CD1 4.46Å; W338-L348 HydrophobicContact CZ3-CD1 4.47Å; W338-T352 HydrophobicContact CB-CG2 4.38Å; W338-T352 HydrophobicContact CE3-CG2 4.39Å; W338-K353 PolarHBondContact N-O 2.9Å; W338-L354 HydrophobicContact CB-CD2 3.96Å; W338-L354 HydrophobicContact CD2-CD2 3.93Å; W338-L354 HydrophobicContact CE3-CD2 3.64Å; W338-L354 HydrophobicContact CG-CD2 4.11Å; W338-L354 HydrophobicContact CZ3-CD2 4.46Å; W338-L354 WeakPolarHBondContact O-CA 3.21Å; W338-V355 PolarHBondContact O-N 3.17Å
339R94.3Very high95.6Very high24 Ų2446.3 Ų46.39%0.09126%0.258CS..EExtended strand (participates in β ladder)trans-70.2111.4167.1-169.7-98.2176.6-179.90.7109.4M308 G311 V314 V355 K356 L358M308-R339 PolarHBondContact O-N 3.4Å; G311-R339 PolarHBondContact O-NH1 2.79Å; V314-R339 PolarHBondContact O-NH1 3.39Å; R339-V355 CarbonylContact C-O 3.57Å; R339-V355 VanDerWaalsContact CA-O 3.28Å; R339-V355 WeakPolarHBondContact CA-O 3.24Å; R339-K356 PolarHBondContact NE-O 3.21Å; R339-L358 HydrophobicContact CB-CD1 3.53Å; R339-L358 HydrophobicContact CB-CG 3.77Å; R339-L358 HydrophobicContact CG-CD1 4.44Å; R339-L358 HydrophobicContact CG-CG 4.37Å
340F91.7Very high95.5Very high9 Ų956.3 Ų56.34%0.03930%0.302CS..  trans-146.1126.5-173.5-177.5-104.5000110.8A316 T322 W338 G342 E343 L354 V355A316-F340 HydrophobicContact CB-CD2 4.32Å; A316-F340 HydrophobicContact CB-CE2 3.52Å; A316-F340 HydrophobicContact CB-CZ 4Å; T322-F340 HydrophobicContact CG2-CD2 4.42Å; T322-F340 HydrophobicContact CG2-CE2 3.49Å; T322-F340 VanDerWaalsContact CG2-CE2 3.49Å; T322-F340 HydrophobicContact CG2-CZ 3.65Å; W338-F340 HydrophobicContact CD2-CB 4.22Å; W338-F340 AromaticContact CE2-CD2 3.81Å; W338-F340 HydrophobicContact CG-CB 4.16Å; W338-F340 HydrophobicContact CH2-CD2 4.45Å; W338-F340 AromaticContact CZ2-CD2 3.7Å; W338-F340 HydrophobicContact CZ2-CD2 3.7Å; W338-F340 HydrophobicContact CZ2-CE2 4.14Å; W338-F340 HydrophobicContact CZ2-CG 4.39Å; W338-F340 AromaticContact NE1-CD2 3.95Å; W338-F340 PolarHBondContact O-N 2.67Å; F340-G342 VanDerWaalsContact CE1-O 3.32Å; F340-G342 WeakPolarHBondContact CE1-O 3.22Å; F340-E343 WeakPolarHBondContact CE1-O 3.39Å; F340-E343 WeakPolarHBondContact CZ-O 3.28Å; F340-L354 HydrophobicContact CB-CD2 4.08Å; F340-L354 HydrophobicContact CD1-CD1 4.06Å; F340-V355 PolarHBondContact N-O 3.36Å
341D85.7Confident95.4Very high73 Ų7355.1 Ų55.139%0.3929%0.289SS..  trans-123.857.2-178.7-16316000110.9S315 K356S315-D341 WeakPolarHBondContact CB-O 3.37Å; S315-D341 PolarHBondContact O-N 3.05Å; D341-K356 HydrophobicContact CB-CD 4.31Å; D341-K356 WeakPolarHBondContact OD1-CD 3Å; D341-K356 WeakPolarHBondContact OD1-CE 3.29Å; D341-K356 IonicContact OD1-NZ 3.87Å; D341-K356 PolarHBondContact OD1-NZ 3.22Å
342G87.3Confident95.4Very high32 Ų3251 Ų5133%0.3327%0.271SS..SBendtrans-143.2-166.5175.500000112.4F340F340-G342 VanDerWaalsContact CE1-O 3.32Å; F340-G342 WeakPolarHBondContact CE1-O 3.22Å
343E90.7Very high95.4Very high159 Ų15952.9 Ų52.974%0.74328%0.278SS*.PPolyproline II helixtrans-68.7133.2174.2-173.1176.1-176.100111.1F340 P345F340-E343 WeakPolarHBondContact CE1-O 3.39Å; F340-E343 WeakPolarHBondContact CZ-O 3.28Å; E343-P345 WeakPolarHBondContact O-CD 3.23Å
344K94.1Very high95.3Very high150 Ų15051.6 Ų51.665%0.65227%0.267SS*.PPolyproline II helixtrans-61123.9-177-178.3-176.6177.2-174.10110.1L348 L354K344-L348 HydrophobicContact CD-CD2 4.46Å; K344-L348 HydrophobicContact CG-CD2 4.19Å; K344-L354 HydrophobicContact CG-CD1 4.06Å
345P95.3Very high95.1Very high6 Ų652 Ų524%0.03927%0.271CS..PPolyproline II helixtrans-62.8141.1179.3-23.636000112.2T322 A326 W338 E343 T347 L348T322-P345 HydrophobicContact CG2-CG 3.55Å; A326-P345 HydrophobicContact CB-CB 3.56Å; A326-P345 HydrophobicContact CB-CG 3.97Å; W338-P345 HydrophobicContact CH2-CG 4.49Å; W338-P345 HydrophobicContact CZ3-CG 4.43Å; E343-P345 WeakPolarHBondContact O-CD 3.23Å; P345-T347 VanDerWaalsContact C-N 3.27Å; P345-T347 PolarHBondContact O-N 3.46Å; P345-L348 WeakPolarHBondContact O-CB 3.32Å; P345-L348 PolarHBondContact O-N 2.86Å
346S97.1Very high94.7Very high106 Ų10655.2 Ų55.274%0.74129%0.285SS*.THydrogen-bonded Turntrans-68.3-27.2177.863.60000112.7E323E323-S346 WeakPolarHBondContact OE1-CB 3.42Å; E323-S346 PolarHBondContact OE1-N 3.48Å; E323-S346 PolarHBondContact OE1-OG 3.39Å; E323-S346 PolarHBondContact OE2-N 2.87Å; E323-S346 PolarHBondContact OE2-OG 3.15Å
347T97.1Very high94.2Very high54 Ų5462.9 Ų62.933%0.33131%0.314SS..THydrogen-bonded Turntrans-88.67.8179.157.60000114.6E323 A326 A327 P345 G349E323-T347 PolarHBondContact O-OG1 2.95Å; E323-T347 WeakPolarHBondContact OE2-CB 3.34Å; E323-T347 VanDerWaalsContact OE2-CG2 3.29Å; E323-T347 WeakPolarHBondContact OE2-CG2 3.48Å; E323-T347 PolarHBondContact OE2-N 2.91Å; E323-T347 PolarHBondContact OE2-OG1 2.88Å; A326-T347 WeakPolarHBondContact CB-OG1 3.44Å; A327-T347 HydrophobicContact CB-CG2 4.23Å; A327-T347 PolarHBondContact N-OG1 2.74Å; P345-T347 VanDerWaalsContact C-N 3.27Å; P345-T347 PolarHBondContact O-N 3.46Å; T347-G349 PolarHBondContact O-N 2.95Å
348L97.5Very high93.7Very high36 Ų3663.4 Ų63.419%0.18832%0.317CS..  trans-65.2117.8-175.6-16979.3000113.1A326 W338 K344 P345 T352 L354A326-L348 HydrophobicContact CB-CD1 4.26Å; W338-L348 HydrophobicContact CE3-CD1 4.46Å; W338-L348 HydrophobicContact CZ3-CD1 4.47Å; K344-L348 HydrophobicContact CD-CD2 4.46Å; K344-L348 HydrophobicContact CG-CD2 4.19Å; P345-L348 WeakPolarHBondContact O-CB 3.32Å; P345-L348 PolarHBondContact O-N 2.86Å; L348-T352 HydrophobicContact CD1-CG2 3.64Å; L348-L354 HydrophobicContact CD1-CD2 4Å; L348-L354 HydrophobicContact CD1-CG 4.32Å; L348-L354 HydrophobicContact CD2-CD1 3.84Å; L348-L354 HydrophobicContact CD2-CD2 4.48Å; L348-L354 HydrophobicContact CD2-CG 3.9Å
349G96.6Very high93.5Very high14 Ų1465 Ų6514%0.14433%0.328CS..  trans-72.5155.7176.400000115T347 N351 T352T347-G349 PolarHBondContact O-N 2.95Å; G349-N351 PolarHBondContact O-N 2.96Å; G349-N351 VanDerWaalsContact O-N 3.16Å; G349-T352 PolarHBondContact O-N 3.22Å; G349-T352 VanDerWaalsContact O-N 3.11Å
350K96Very high93.5Very high211 Ų21165.6 Ų65.692%0.91733%0.332SS*.THydrogen-bonded Turntrans-65.2-14.8178-65.9-178.4-178.6176.70114.1T352K350-T352 VanDerWaalsContact C-N 3.29Å
351N97.5Very high93.6Very high20 Ų2067.1 Ų67.111%0.10734%0.338CS..THydrogen-bonded Turntrans-81.3-8.5176.166.5-41.7000113.1F329 L332 Q334 K335 V336 G349F329-N351 PolarHBondContact O-ND2 3.4Å; L332-N351 PolarHBondContact O-ND2 2.82Å; Q334-N351 PolarHBondContact O-ND2 3.26Å; K335-N351 WeakPolarHBondContact CA-O 2.93Å; K335-N351 HydrophobicContact CD-CB 4.22Å; V336-N351 PolarHBondContact N-O 3.41Å; G349-N351 PolarHBondContact O-N 2.96Å; G349-N351 VanDerWaalsContact O-N 3.16Å
352T98Very high94.1Very high14 Ų1465.1 Ų65.19%0.08633%0.327CS..EExtended strand (participates in β ladder)trans-106.8129.3-175.5-560000111.9F329 V336 W338 L348 G349 K350 L354F329-T352 HydrophobicContact CD2-CG2 4.39Å; V336-T352 HydrophobicContact CB-CG2 3.94Å; V336-T352 HydrophobicContact CG1-CG2 4.07Å; V336-T352 CarbonylContact O-C 3.55Å; V336-T352 WeakPolarHBondContact O-CA 3.15Å; W338-T352 HydrophobicContact CB-CG2 4.38Å; W338-T352 HydrophobicContact CE3-CG2 4.39Å; L348-T352 HydrophobicContact CD1-CG2 3.64Å; G349-T352 PolarHBondContact O-N 3.22Å; G349-T352 VanDerWaalsContact O-N 3.11Å; K350-T352 VanDerWaalsContact C-N 3.29Å; T352-L354 HydrophobicContact CG2-CD2 4.27Å
353K96.7Very high94.6Very high48 Ų4863.6 Ų63.621%0.20931%0.312CS..EExtended strand (participates in β ladder)trans-108.6117.2173.2-174.5168-173.3161.10109.9E292 F296 V336 I337 W338 V355E292-K353 VanDerWaalsContact CD-NZ 3.34Å; E292-K353 IonicContact OE1-NZ 3.19Å; E292-K353 PolarHBondContact OE1-NZ 3.14Å; F296-K353 HydrophobicContact CD2-CB 4.4Å; F296-K353 HydrophobicContact CD2-CD 4.08Å; F296-K353 HydrophobicContact CE1-CB 4.12Å; F296-K353 HydrophobicContact CE2-CB 3.78Å; F296-K353 HydrophobicContact CE2-CD 4.3Å; F296-K353 HydrophobicContact CG-CD 4.24Å; F296-K353 HydrophobicContact CZ-CB 3.61Å; V336-K353 PolarHBondContact O-N 3.02Å; I337-K353 WeakPolarHBondContact CA-O 3.45Å; W338-K353 PolarHBondContact N-O 2.9Å; K353-V355 HydrophobicContact CG-CG1 4.25Å
354L95.9Very high94.9Very high50 Ų5056.1 Ų56.126%0.26228%0.277SS..EExtended strand (participates in β ladder)trans-83.3135.7172.4-57.7-176.9000109.9W338 F340 K344 L348 T352W338-L354 HydrophobicContact CB-CD2 3.96Å; W338-L354 HydrophobicContact CD2-CD2 3.93Å; W338-L354 HydrophobicContact CE3-CD2 3.64Å; W338-L354 HydrophobicContact CG-CD2 4.11Å; W338-L354 HydrophobicContact CZ3-CD2 4.46Å; W338-L354 WeakPolarHBondContact O-CA 3.21Å; F340-L354 HydrophobicContact CB-CD2 4.08Å; F340-L354 HydrophobicContact CD1-CD1 4.06Å; K344-L354 HydrophobicContact CG-CD1 4.06Å; L348-L354 HydrophobicContact CD1-CD2 4Å; L348-L354 HydrophobicContact CD1-CG 4.32Å; L348-L354 HydrophobicContact CD2-CD1 3.84Å; L348-L354 HydrophobicContact CD2-CD2 4.48Å; L348-L354 HydrophobicContact CD2-CG 3.9Å; T352-L354 HydrophobicContact CG2-CD2 4.27Å
355V93.8Very high95.1Very high28 Ų2850.3 Ų50.317%0.1726%0.26CS..EExtended strand (participates in β ladder)trans-135.6150.6175.2-60.70000110.6I337 W338 R339 F340 K353 W357 L358I337-V355 HydrophobicContact CG2-CG1 4.3Å; I337-V355 HydrophobicContact CG2-CG2 4.02Å; W338-V355 PolarHBondContact O-N 3.17Å; R339-V355 CarbonylContact C-O 3.57Å; R339-V355 VanDerWaalsContact CA-O 3.28Å; R339-V355 WeakPolarHBondContact CA-O 3.24Å; F340-V355 PolarHBondContact N-O 3.36Å; K353-V355 HydrophobicContact CG-CG1 4.25Å; V355-W357 WeakPolarHBondContact CG2-O 3.47Å; V355-L358 HydrophobicContact CG2-CD2 3.44Å; V355-L358 VanDerWaalsContact CG2-CD2 3.44Å; V355-L358 HydrophobicContact CG2-CG 3.9Å
356K89.4Confident95.2Very high121 Ų12151.3 Ų51.353%0.52626%0.263SS..SBendtrans-78.6-31.2176.3-64.1-62.4-173.2179.40112.5R339 D341R339-K356 PolarHBondContact NE-O 3.21Å; D341-K356 HydrophobicContact CB-CD 4.31Å; D341-K356 WeakPolarHBondContact OD1-CD 3Å; D341-K356 WeakPolarHBondContact OD1-CE 3.29Å; D341-K356 IonicContact OD1-NZ 3.87Å; D341-K356 PolarHBondContact OD1-NZ 3.22Å
357W87.9Confident95.2Very high161 Ų16151.7 Ų51.761%0.6126%0.264SS*.SBendtrans-140.6144.8179-163.2-100.6000111.1T312 V355T312-W357 HydrophobicContact CG2-CH2 4.33Å; V355-W357 WeakPolarHBondContact CG2-O 3.47Å
358L87.9Confident95.2Very high12 Ų1252.4 Ų52.46%0.06326%0.262CS..  trans-109.6134.9178.1-71.5168.1000110.2I307 I337 R339 V355 Q360 L363I307-L358 HydrophobicContact CG2-CD1 4.01Å; I337-L358 HydrophobicContact CB-CD2 4.45Å; I337-L358 HydrophobicContact CG2-CD2 3.45Å; I337-L358 VanDerWaalsContact CG2-CD2 3.45Å; R339-L358 HydrophobicContact CB-CD1 3.53Å; R339-L358 HydrophobicContact CB-CG 3.77Å; R339-L358 HydrophobicContact CG-CD1 4.44Å; R339-L358 HydrophobicContact CG-CG 4.37Å; V355-L358 HydrophobicContact CG2-CD2 3.44Å; V355-L358 VanDerWaalsContact CG2-CD2 3.44Å; V355-L358 HydrophobicContact CG2-CG 3.9Å; L358-Q360 HydrophobicContact CB-CB 4.05Å; L358-Q360 PolarHBondContact O-N 3.39Å; L358-L363 HydrophobicContact CB-CD1 4.23Å; L358-L363 HydrophobicContact CD2-CD1 3.44Å; L358-L363 VanDerWaalsContact CD2-CD1 3.44Å; L358-L363 HydrophobicContact CG-CD1 4.37Å
359P93.1Very high95.3Very high38 Ų3851.3 Ų51.325%0.24726%0.257CS..  trans-70.565.2152.931.6-31.3000108.6L289 L293 K361 D362 L363L289-P359 HydrophobicContact CD2-CB 4.44Å; L289-P359 HydrophobicContact CD2-CG 3.97Å; L293-P359 HydrophobicContact CD1-CG 3.75Å; P359-K361 VanDerWaalsContact C-N 3.35Å; P359-K361 PolarHBondContact O-N 2.99Å; P359-D362 HydrophobicContact CB-CB 4.41Å; P359-D362 PolarHBondContact O-N 3.11Å; P359-D362 VanDerWaalsContact O-N 3.09Å; P359-L363 HydrophobicContact CG-CD1 4.1Å; P359-L363 HydrophobicContact CG-CG 4.17Å; P359-L363 WeakPolarHBondContact O-CG 3.42Å; P359-L363 PolarHBondContact O-N 3.17Å
360Q94.2Very high95.4Very high36 Ų3655 Ų5517%0.16827%0.269CS..Hα-helixtrans-57.4-46.3-165.8-176.7174.3-7600111.7S309 L358 D362 L363 L364 F372 E383S309-Q360 PolarHBondContact OG-OE1 3.44Å; S309-Q360 VanDerWaalsContact OG-OE1 3.06Å; L358-Q360 HydrophobicContact CB-CB 4.05Å; L358-Q360 PolarHBondContact O-N 3.39Å; Q360-D362 VanDerWaalsContact C-N 3.32Å; Q360-D362 PolarHBondContact O-N 3.26Å; Q360-L363 PolarHBondContact O-N 3.14Å; Q360-L364 HydrophobicContact CG-CD1 3.87Å; Q360-L364 HydrophobicContact CG-CG 4.22Å; Q360-L364 WeakPolarHBondContact O-CB 3.42Å; Q360-L364 VanDerWaalsContact O-CG 3.25Å; Q360-L364 WeakPolarHBondContact O-CG 3.32Å; Q360-L364 PolarHBondContact O-N 2.98Å; Q360-F372 HydrophobicContact CG-CZ 4.34Å; Q360-E383 PolarHBondContact NE2-OE2 3.39Å
361K93.3Very high95.5Very high41 Ų4145 Ų4518%0.17823%0.226CC..Hα-helixtrans-52.9-49.1175.9-166.8-157.9104.3-167.80112K284 E285 P359 L364 G365 H387K284-K361 HydrophobicContact CB-CD 3.99Å; K284-K361 WeakPolarHBondContact O-CE 3.38Å; E285-K361 WeakPolarHBondContact O-CE 3.26Å; E285-K361 PolarHBondContact O-NZ 2.9Å; P359-K361 VanDerWaalsContact C-N 3.35Å; P359-K361 PolarHBondContact O-N 2.99Å; K361-L364 PolarHBondContact O-N 2.9Å; K361-G365 PolarHBondContact O-N 2.6Å; K361-G365 VanDerWaalsContact O-N 3.08Å; K361-H387 PolarHBondContact O-NE2 3.47Å
362D96.1Very high95.6Very high30 Ų3044.1 Ų44.116%0.1622%0.221CC..Hα-helixtrans-73.8-36.8-175.3-52.9-47.9000111.5A286 Q287 L289 P359 Q360 G365 H366A286-D362 WeakPolarHBondContact CA-OD1 3.45Å; A286-D362 HydrophobicContact CB-CB 4.46Å; Q287-D362 PolarHBondContact N-OD1 3.25Å; L289-D362 HydrophobicContact CD2-CB 3.7Å; P359-D362 HydrophobicContact CB-CB 4.41Å; P359-D362 PolarHBondContact O-N 3.11Å; P359-D362 VanDerWaalsContact O-N 3.09Å; Q360-D362 VanDerWaalsContact C-N 3.32Å; Q360-D362 PolarHBondContact O-N 3.26Å; D362-G365 PolarHBondContact O-N 3.11Å; D362-H366 PolarHBondContact O-N 3.45Å; D362-H366 VanDerWaalsContact O-N 3.14Å
363L97.6Very high95.6Very high0 Ų043.5 Ų43.50%022%0.217CC..Hα-helixtrans-63.8-43.8172.4-73169.6000111.8L289 M297 I307 I337 L358 P359 Q360 G365 H366 T369L289-L363 HydrophobicContact CD1-CD2 3.75Å; L289-L363 HydrophobicContact CD2-CD2 4.01Å; L289-L363 HydrophobicContact CD2-CG 4.1Å; M297-L363 HydrophobicContact CE-CD2 4.13Å; M297-L363 HydrophobicContact CG-CD2 4.24Å; M297-L363 HydrophobicContact SD-CD2 3.7Å; I307-L363 HydrophobicContact CD1-CB 4.16Å; I307-L363 HydrophobicContact CD1-CD1 4.34Å; I307-L363 HydrophobicContact CD1-CD2 4.29Å; I307-L363 HydrophobicContact CG1-CB 4.36Å; I337-L363 HydrophobicContact CD1-CD1 4.36Å; I337-L363 HydrophobicContact CD1-CD2 3.74Å; L358-L363 HydrophobicContact CB-CD1 4.23Å; L358-L363 HydrophobicContact CD2-CD1 3.44Å; L358-L363 VanDerWaalsContact CD2-CD1 3.44Å; L358-L363 HydrophobicContact CG-CD1 4.37Å; P359-L363 HydrophobicContact CG-CD1 4.1Å; P359-L363 HydrophobicContact CG-CG 4.17Å; P359-L363 WeakPolarHBondContact O-CG 3.42Å; P359-L363 PolarHBondContact O-N 3.17Å; Q360-L363 PolarHBondContact O-N 3.14Å; L363-G365 VanDerWaalsContact C-N 3.31Å; L363-G365 PolarHBondContact O-N 3.48Å; L363-H366 WeakPolarHBondContact O-CB 3.28Å; L363-H366 PolarHBondContact O-N 3.02Å; L363-T369 WeakPolarHBondContact O-CB 3.24Å; L363-T369 PolarHBondContact O-OG1 3.21Å
364L97.9Very high95.6Very high3 Ų341.2 Ų41.22%0.01621%0.207CC..Hα-helixtrans-65-35.8178.2-70.8178000112Q360 K361 H366 T369 F372 E383 H387 V389Q360-L364 HydrophobicContact CG-CD1 3.87Å; Q360-L364 HydrophobicContact CG-CG 4.22Å; Q360-L364 WeakPolarHBondContact O-CB 3.42Å; Q360-L364 VanDerWaalsContact O-CG 3.25Å; Q360-L364 WeakPolarHBondContact O-CG 3.32Å; Q360-L364 PolarHBondContact O-N 2.98Å; K361-L364 PolarHBondContact O-N 2.9Å; L364-H366 VanDerWaalsContact C-N 3.29Å; L364-H366 PolarHBondContact O-N 3.26Å; L364-T369 HydrophobicContact CD2-CG2 4.35Å; L364-F372 HydrophobicContact CD1-CD1 4.18Å; L364-F372 HydrophobicContact CD1-CE1 4.2Å; L364-F372 HydrophobicContact CD2-CB 3.68Å; L364-F372 HydrophobicContact CD2-CD1 4.08Å; L364-F372 HydrophobicContact CD2-CD2 3.98Å; L364-F372 HydrophobicContact CD2-CG 3.66Å; L364-E383 HydrophobicContact CD1-CB 3.65Å; L364-H387 HydrophobicContact CB-CB 4.26Å; L364-H387 WeakPolarHBondContact O-CB 3.4Å; L364-V389 HydrophobicContact CD2-CG1 4.3Å; L364-V389 VanDerWaalsContact O-CG2 3.31Å; L364-V389 WeakPolarHBondContact O-CG2 3.22Å
365G97.3Very high95.6Very high28 Ų2840.2 Ų40.229%0.28920%0.201SC..THydrogen-bonded Turntrans-80.3-3174.900000115.6K361 D362 L363 H387K361-G365 PolarHBondContact O-N 2.6Å; K361-G365 VanDerWaalsContact O-N 3.08Å; D362-G365 PolarHBondContact O-N 3.11Å; L363-G365 VanDerWaalsContact C-N 3.31Å; L363-G365 PolarHBondContact O-N 3.48Å; G365-H387 WeakPolarHBondContact CA-ND1 3.29Å
366H98.1Very high95.7Very high26 Ų2638.9 Ų38.912%0.1219%0.193CC..SBendtrans-76.5135.2-179.7-173.8-86.5000111.7L289 E294 M297 D362 L363 L364 K368 T369L289-H366 HydrophobicContact CD1-CB 4.47Å; E294-H366 IonicContact OE1-NE2 2.64Å; E294-H366 IonicContact OE2-CD2 2.68Å; E294-H366 IonicContact OE2-NE2 3.11Å; E294-H366 PolarHBondContact OE2-NE2 2.95Å; M297-H366 HydrophobicContact CE-CB 3.85Å; M297-H366 WeakPolarHBondContact CE-ND1 3.5Å; D362-H366 PolarHBondContact O-N 3.45Å; D362-H366 VanDerWaalsContact O-N 3.14Å; L363-H366 WeakPolarHBondContact O-CB 3.28Å; L363-H366 PolarHBondContact O-N 3.02Å; L364-H366 VanDerWaalsContact C-N 3.29Å; L364-H366 PolarHBondContact O-N 3.26Å; H366-K368 VanDerWaalsContact CE1-CG 3.47Å; H366-K368 WeakPolarHBondContact CE1-CG 3.38Å; H366-K368 WeakPolarHBondContact ND1-CB 3.31Å; H366-K368 PolarHBondContact ND1-N 3.09Å; H366-K368 VanDerWaalsContact ND1-N 3.11Å; H366-K368 PolarHBondContact O-N 3.47Å; H366-T369 WeakPolarHBondContact O-CB 3.37Å; H366-T369 PolarHBondContact O-N 3.19Å
367P96.9Very high96Very high115 Ų11533.6 Ų33.675%0.74717%0.173SC*.THydrogen-bonded Turntrans-60.2-20.5-174.8-26.334.3000116.2
368K98.2Very high96.3Very high68 Ų6826.5 Ų26.530%0.29615%0.147SC..THydrogen-bonded Turntrans-82.1-11.5176.6-64.2-68.9-174.3-179.40113.7M297 G301 G304 V305 H366 K370M297-K368 HydrophobicContact CE-CB 4.31Å; G301-K368 PolarHBondContact O-NZ 3.33Å; G304-K368 CarbonylContact C-O 3.51Å; G304-K368 VanDerWaalsContact CA-O 3.26Å; G304-K368 WeakPolarHBondContact CA-O 3.32Å; V305-K368 HydrophobicContact CG2-CB 4.18Å; V305-K368 PolarHBondContact N-O 3.15Å; H366-K368 VanDerWaalsContact CE1-CG 3.47Å; H366-K368 WeakPolarHBondContact CE1-CG 3.38Å; H366-K368 WeakPolarHBondContact ND1-CB 3.31Å; H366-K368 PolarHBondContact ND1-N 3.09Å; H366-K368 VanDerWaalsContact ND1-N 3.11Å; H366-K368 PolarHBondContact O-N 3.47Å; K368-K370 PolarHBondContact O-N 3.36Å
369T98.6Very high96.5Very high14 Ų1427.4 Ų27.49%0.08615%0.152CC..EExtended strand (participates in β ladder)trans-72.5127.7-179.8-64.50000110.6M297 I307 L363 L364 H366 V389M297-T369 WeakPolarHBondContact CE-OG1 3.44Å; I307-T369 HydrophobicContact CG1-CG2 3.98Å; L363-T369 WeakPolarHBondContact O-CB 3.24Å; L363-T369 PolarHBondContact O-OG1 3.21Å; L364-T369 HydrophobicContact CD2-CG2 4.35Å; H366-T369 WeakPolarHBondContact O-CB 3.37Å; H366-T369 PolarHBondContact O-N 3.19Å; T369-V389 HydrophobicContact CG2-CG1 3.91Å; T369-V389 HydrophobicContact CG2-CG2 4.08Å
370K98.5Very high96.6Very high91 Ų9126 Ų2640%0.39614%0.144SC..EExtended strand (participates in β ladder)trans-108.6-41.8-177.3-61.8-58-173.5177.40112.6V305 K368 P390 L434V305-K370 PolarHBondContact O-N 3.06Å; K368-K370 PolarHBondContact O-N 3.36Å; K370-P390 VanDerWaalsContact O-CD 3.26Å; K370-P390 WeakPolarHBondContact O-CD 3.3Å; K370-P390 WeakPolarHBondContact O-CG 3.36Å; K370-L434 HydrophobicContact CB-CD2 3.75Å
371V98.6Very high96.7Very high1 Ų124.2 Ų24.21%0.00614%0.136CC..EExtended strand (participates in β ladder)trans-144.1142-174.1175.10000109.5V306 I307 I373 P390 L392 I433 L434V306-V371 HydrophobicContact CG2-CB 4.48Å; I307-V371 PolarHBondContact N-O 2.92Å; V371-I373 HydrophobicContact CG1-CG1 4.39Å; V371-P390 HydrophobicContact CG2-CG 4.37Å; V371-L392 HydrophobicContact CG1-CB 4.19Å; V371-I433 HydrophobicContact CG1-CD1 4.37Å; V371-I433 HydrophobicContact CG1-CG2 3.98Å; V371-I433 HydrophobicContact CG2-CG1 4.43Å; V371-I433 HydrophobicContact CG2-CG2 3.83Å; V371-L434 HydrophobicContact CB-CD2 4.42Å; V371-L434 HydrophobicContact CG2-CD2 3.52Å; V371-L434 HydrophobicContact CG2-CG 3.89Å
372F98.8Very high96.9Very high2 Ų222.4 Ų22.41%0.00913%0.128CC..EExtended strand (participates in β ladder)trans-108.8115168.3-177.8-146.5000110.6I307 Q360 L364 A374 A384 V389 P390 V391 L392I307-F372 HydrophobicContact CB-CD2 4.25Å; I307-F372 HydrophobicContact CG2-CD2 4.22Å; I307-F372 HydrophobicContact CG2-CE2 4.4Å; I307-F372 CarbonylContact O-C 3.52Å; I307-F372 WeakPolarHBondContact O-CA 3.38Å; I307-F372 WeakPolarHBondContact O-CD2 3.16Å; Q360-F372 HydrophobicContact CG-CZ 4.34Å; L364-F372 HydrophobicContact CD1-CD1 4.18Å; L364-F372 HydrophobicContact CD1-CE1 4.2Å; L364-F372 HydrophobicContact CD2-CB 3.68Å; L364-F372 HydrophobicContact CD2-CD1 4.08Å; L364-F372 HydrophobicContact CD2-CD2 3.98Å; L364-F372 HydrophobicContact CD2-CG 3.66Å; F372-A374 HydrophobicContact CD1-CB 3.73Å; F372-A374 HydrophobicContact CD2-CB 4.36Å; F372-A374 HydrophobicContact CE1-CB 3.48Å; F372-A374 VanDerWaalsContact CE1-CB 3.48Å; F372-A374 HydrophobicContact CE2-CB 4.11Å; F372-A374 HydrophobicContact CG-CB 4.18Å; F372-A374 HydrophobicContact CZ-CB 3.67Å; F372-A384 HydrophobicContact CD1-CB 4.03Å; F372-V389 HydrophobicContact CB-CG1 3.91Å; F372-P390 PolarHBondContact N-O 3.41Å; F372-V391 HydrophobicContact CD1-CG2 4.46Å; F372-V391 CarbonylContact O-C 3.48Å; F372-V391 VanDerWaalsContact O-CA 3.24Å; F372-V391 WeakPolarHBondContact O-CA 3.42Å; F372-L392 PolarHBondContact O-N 3.43Å
373I98.6Very high96.9Very high0 Ų022.3 Ų22.30%013%0.127CC..EExtended strand (participates in β ladder)trans-87.3116.5171.4-56.4161.1000107.7V306 I307 M308 S309 F329 V371 L392 L394 F426 L430V306-I373 HydrophobicContact CG1-CD1 3.33Å; V306-I373 HydrophobicContact CG1-CG1 3.84Å; I307-I373 PolarHBondContact O-N 3.25Å; M308-I373 WeakPolarHBondContact CA-O 3.35Å; M308-I373 HydrophobicContact CB-CB 3.97Å; M308-I373 HydrophobicContact CB-CD1 4.2Å; M308-I373 HydrophobicContact CB-CG2 4.48Å; M308-I373 HydrophobicContact CE-CG2 4.25Å; M308-I373 HydrophobicContact CG-CB 3.88Å; M308-I373 HydrophobicContact CG-CG2 3.85Å; M308-I373 HydrophobicContact SD-CB 4.5Å; M308-I373 HydrophobicContact SD-CD1 4.45Å; M308-I373 HydrophobicContact SD-CG2 4.04Å; S309-I373 PolarHBondContact N-O 2.89Å; F329-I373 HydrophobicContact CE1-CD1 3.45Å; F329-I373 VanDerWaalsContact CE1-CD1 3.45Å; F329-I373 HydrophobicContact CZ-CD1 3.52Å; V371-I373 HydrophobicContact CG1-CG1 4.39Å; I373-L392 VanDerWaalsContact CA-O 3.29Å; I373-L392 WeakPolarHBondContact CA-O 3.36Å; I373-L392 HydrophobicContact CG1-CB 4.06Å; I373-L392 HydrophobicContact CG1-CD2 4.25Å; I373-L394 HydrophobicContact CG2-CD1 3.58Å; I373-L394 HydrophobicContact CG2-CG 4.07Å; I373-F426 HydrophobicContact CD1-CZ 4.02Å; I373-F426 HydrophobicContact CG2-CE2 4.44Å; I373-F426 HydrophobicContact CG2-CZ 4.39Å; I373-L430 HydrophobicContact CD1-CD2 3.78Å; I373-L430 HydrophobicContact CG1-CD2 4.05Å
374A97.4Very high97Very high0 Ų022.4 Ų22.40%013%0.127CC..EExtended strand (participates in β ladder)trans-141.4145.6-168.400000112.7S309 F372 G376 M381 V391 L392 G393 L394S309-A374 WeakPolarHBondContact O-CA 3.35Å; F372-A374 HydrophobicContact CD1-CB 3.73Å; F372-A374 HydrophobicContact CD2-CB 4.36Å; F372-A374 HydrophobicContact CE1-CB 3.48Å; F372-A374 VanDerWaalsContact CE1-CB 3.48Å; F372-A374 HydrophobicContact CE2-CB 4.11Å; F372-A374 HydrophobicContact CG-CB 4.18Å; F372-A374 HydrophobicContact CZ-CB 3.67Å; A374-G376 PolarHBondContact O-N 3.32Å; A374-M381 HydrophobicContact CB-CE 3.66Å; A374-V391 HydrophobicContact CB-CG1 4.1Å; A374-L392 PolarHBondContact N-O 3.01Å; A374-G393 CarbonylContact O-C 3.57Å; A374-G393 WeakPolarHBondContact O-CA 3.39Å; A374-L394 PolarHBondContact O-N 2.7Å
375H95.7Very high97Very high30 Ų3022.5 Ų22.514%0.13913%0.128CC..  trans-68.1-9.9173.470-51.2000114.9L310 G377 L394 P395 L396 Q400L310-H375 HydrophobicContact CB-CB 4.27Å; L310-H375 HydrophobicContact CD2-CB 3.93Å; L310-H375 PolarHBondContact O-CD2 3.11Å; H375-G377 PolarHBondContact CE1-N 3.14Å; H375-L394 VanDerWaalsContact CA-O 3.3Å; H375-L394 WeakPolarHBondContact CA-O 3.31Å; H375-P395 WeakPolarHBondContact O-CA 3Å; H375-L396 HydrophobicContact CB-CD1 4.18Å; H375-Q400 VanDerWaalsContact CD2-CD 3.46Å; H375-Q400 PolarHBondContact CD2-NE2 2.96Å; H375-Q400 WeakPolarHBondContact O-CB 3.46Å; H375-Q400 VanDerWaalsContact O-CG 3.26Å; H375-Q400 WeakPolarHBondContact O-CG 3.47Å; H375-Q400 PolarHBondContact O-OE1 3.01Å
376G96.4Very high97Very high0 Ų022.6 Ų22.60%012%0.12CC..  trans92.59.2-179.800000116.1A374 N403A374-G376 PolarHBondContact O-N 3.32Å; G376-N403 WeakPolarHBondContact O-CB 3.34Å; G376-N403 PolarHBondContact O-ND2 3.4Å
377G94.4Very high97.1Very high10 Ų1022.7 Ų22.710%0.10312%0.12CC..  trans-62.1137.2173.700000112.3H375 N379 G380 M381H375-G377 PolarHBondContact CE1-N 3.14Å; G377-N379 VanDerWaalsContact C-N 3.26Å; G377-N379 PolarHBondContact O-N 3.27Å; G377-G380 PolarHBondContact O-N 3.47Å; G377-M381 WeakPolarHBondContact O-CG 3.44Å; G377-M381 PolarHBondContact O-N 3.46Å; G377-M381 VanDerWaalsContact O-N 3.15Å
378T94Very high97.1Very high12 Ų1217.2 Ų17.27%0.0749%0.085CC..Hα-helixtrans-46.8-43.2-172.6-66.60000113.8M381 Y382 D399 N403T378-M381 PolarHBondContact O-N 2.94Å; T378-Y382 HydrophobicContact CG2-CD2 3.81Å; T378-Y382 HydrophobicContact CG2-CE2 3.74Å; T378-Y382 WeakPolarHBondContact O-CD2 3.39Å; T378-Y382 PolarHBondContact O-N 2.88Å; T378-D399 PolarHBondContact OG1-OD2 3.03Å; T378-N403 PolarHBondContact OG1-ND2 3.41Å
379N92.3Very high97.1Very high31 Ų3114.4 Ų14.417%0.1667%0.073CC..Hα-helixtrans-64.3-46.7-178-54.8-31000112.7N39 G377 M381 Y382 E383N39-N379 PolarHBondContact ND2-ND2 3.07Å; N39-N379 PolarHBondContact ND2-OD1 3.17Å; N39-N379 PolarHBondContact OD1-OD1 3.41Å; G377-N379 VanDerWaalsContact C-N 3.26Å; G377-N379 PolarHBondContact O-N 3.27Å; N379-M381 VanDerWaalsContact C-N 3.27Å; N379-M381 PolarHBondContact O-N 3.43Å; N379-Y382 PolarHBondContact O-N 2.74Å; N379-E383 WeakPolarHBondContact O-CG 3.44Å; N379-E383 PolarHBondContact O-N 3.38Å
380G94.8Very high97.2Very high7 Ų713.9 Ų13.97%0.0727%0.07CC..Hα-helixtrans-66.9-31.6179.200000111.7G377 A384G377-G380 PolarHBondContact O-N 3.47Å; G380-A384 WeakPolarHBondContact O-CB 3.29Å; G380-A384 PolarHBondContact O-N 2.85Å
381M97.3Very high97.2Very high0 Ų09.6 Ų9.60%05%0.051CC..Hα-helixtrans-64.8-45173.1-59.5-58.787.300111.3F265 A374 G377 T378 N379 A384 I385 V391 N403 L404 L407F265-M381 HydrophobicContact CE2-CB 3.96Å; F265-M381 HydrophobicContact CE2-CG 4.3Å; F265-M381 HydrophobicContact CZ-CB 4.17Å; F265-M381 HydrophobicContact CZ-CG 4.3Å; A374-M381 HydrophobicContact CB-CE 3.66Å; G377-M381 WeakPolarHBondContact O-CG 3.44Å; G377-M381 PolarHBondContact O-N 3.46Å; G377-M381 VanDerWaalsContact O-N 3.15Å; T378-M381 PolarHBondContact O-N 2.94Å; N379-M381 VanDerWaalsContact C-N 3.27Å; N379-M381 PolarHBondContact O-N 3.43Å; M381-A384 PolarHBondContact O-N 2.7Å; M381-I385 VanDerWaalsContact O-CG1 3.25Å; M381-I385 WeakPolarHBondContact O-CG1 3.25Å; M381-I385 PolarHBondContact O-N 3.31Å; M381-V391 HydrophobicContact CE-CG1 3.97Å; M381-V391 HydrophobicContact CE-CG2 4.31Å; M381-V391 HydrophobicContact SD-CG1 4.4Å; M381-N403 HydrophobicContact CG-CB 4.22Å; M381-L404 HydrophobicContact CE-CD2 4.4Å; M381-L404 HydrophobicContact SD-CD2 3.78Å; M381-L404 HydrophobicContact SD-CG 4.41Å; M381-L407 HydrophobicContact CB-CD1 4.42Å; M381-L407 HydrophobicContact CG-CD1 4.42Å; M381-L407 HydrophobicContact SD-CD1 3.44Å; M381-L407 WeakPolarHBondContact SD-CD1 3.43Å; M381-L407 HydrophobicContact SD-CG 4.42Å
382Y97.5Very high97.2Very high2 Ų29.5 Ų9.51%0.0085%0.051CC..Hα-helixtrans-65.3-39.9176-84.9-64.1000113.1A261 D262 F265 T378 N379 A384 I385 Y386 H450A261-Y382 WeakPolarHBondContact CA-OH 3.5Å; D262-Y382 PolarHBondContact N-OH 3.24Å; D262-Y382 WeakPolarHBondContact OD2-CE1 3.39Å; F265-Y382 HydrophobicContact CB-CE1 4.02Å; F265-Y382 VanDerWaalsContact CB-OH 3.3Å; F265-Y382 WeakPolarHBondContact CB-OH 3.32Å; F265-Y382 HydrophobicContact CD1-CE2 4.22Å; F265-Y382 AromaticContact CD1-CZ 3.94Å; F265-Y382 WeakPolarHBondContact CD1-OH 3.49Å; T378-Y382 HydrophobicContact CG2-CD2 3.81Å; T378-Y382 HydrophobicContact CG2-CE2 3.74Å; T378-Y382 WeakPolarHBondContact O-CD2 3.39Å; T378-Y382 PolarHBondContact O-N 2.88Å; N379-Y382 PolarHBondContact O-N 2.74Å; Y382-A384 VanDerWaalsContact C-N 3.34Å; Y382-A384 PolarHBondContact O-N 2.9Å; Y382-I385 HydrophobicContact CD1-CD1 4.48Å; Y382-I385 PolarHBondContact O-N 3.38Å; Y382-Y386 WeakPolarHBondContact O-CB 3.44Å; Y382-Y386 PolarHBondContact O-N 2.9Å; Y382-H450 AromaticContact CD1-CE1 3.41Å; Y382-H450 VanDerWaalsContact CD1-CE1 3.41Å; Y382-H450 WeakPolarHBondContact CD1-CE1 3.46Å; Y382-H450 AromaticContact CE1-CE1 3.63Å
383E97.2Very high97.1Very high29 Ų299.4 Ų9.414%0.1365%0.051CC..Hα-helixtrans-63.3-40.7174.9-69.3170.4-173.200111.7Q360 L364 N379 Y386 H387Q360-E383 PolarHBondContact NE2-OE2 3.39Å; L364-E383 HydrophobicContact CD1-CB 3.65Å; N379-E383 WeakPolarHBondContact O-CG 3.44Å; N379-E383 PolarHBondContact O-N 3.38Å; E383-Y386 PolarHBondContact O-N 3.48Å; E383-H387 PolarHBondContact O-CD2 2.67Å; E383-H387 VanDerWaalsContact O-CD2 3.24Å; E383-H387 PolarHBondContact O-N 3.32Å
384A98.3Very high97.1Very high1 Ų19.4 Ų9.41%0.0085%0.051CC..Hα-helixtrans-63.7-45.7175.200000112.2F372 G380 M381 Y382 G388 V389 V391F372-A384 HydrophobicContact CD1-CB 4.03Å; G380-A384 WeakPolarHBondContact O-CB 3.29Å; G380-A384 PolarHBondContact O-N 2.85Å; M381-A384 PolarHBondContact O-N 2.7Å; Y382-A384 VanDerWaalsContact C-N 3.34Å; Y382-A384 PolarHBondContact O-N 2.9Å; A384-G388 WeakPolarHBondContact O-CA 3.36Å; A384-G388 PolarHBondContact O-N 2.95Å; A384-V389 PolarHBondContact O-N 3.46Å; A384-V391 HydrophobicContact CB-CG2 3.59Å
385I98.4Very high97Very high6 Ų69.7 Ų9.73%0.0315%0.052CC..Hα-helixtrans-60.1-50174.1-68.5164.6000109.9V264 F265 M381 Y382 H387 G388 L407 L446 S447 H450V264-I385 HydrophobicContact CG1-CG2 4.38Å; F265-I385 HydrophobicContact CB-CD1 4.08Å; F265-I385 HydrophobicContact CD2-CD1 3.68Å; F265-I385 HydrophobicContact CG-CD1 4.21Å; M381-I385 VanDerWaalsContact O-CG1 3.25Å; M381-I385 WeakPolarHBondContact O-CG1 3.25Å; M381-I385 PolarHBondContact O-N 3.31Å; Y382-I385 HydrophobicContact CD1-CD1 4.48Å; Y382-I385 PolarHBondContact O-N 3.38Å; I385-H387 VanDerWaalsContact C-N 3.31Å; I385-H387 PolarHBondContact O-N 3.08Å; I385-G388 PolarHBondContact O-N 3.41Å; I385-G388 VanDerWaalsContact O-N 3.07Å; I385-L407 HydrophobicContact CD1-CD2 3.93Å; I385-L407 HydrophobicContact CG1-CD2 3.93Å; I385-L446 HydrophobicContact CG2-CB 4.25Å; I385-S447 WeakPolarHBondContact O-CA 3.17Å; I385-S447 WeakPolarHBondContact O-CB 3.47Å; I385-S447 PolarHBondContact O-OG 3.01Å; I385-H450 HydrophobicContact CG2-CB 3.65Å
386Y98.2Very high96.8Very high30 Ų308.3 Ų8.312%0.1185%0.046CC..Hα-helixtrans-58.4-42.5-176.6-177.4-88.6000112C283 K284 Y382 E383 S447 R451C283-Y386 HydrophobicContact CB-CD1 4.05Å; C283-Y386 HydrophobicContact CB-CD2 3.43Å; C283-Y386 VanDerWaalsContact CB-CD2 3.43Å; C283-Y386 HydrophobicContact CB-CE1 4.5Å; C283-Y386 HydrophobicContact CB-CE2 3.94Å; C283-Y386 HydrophobicContact CB-CG 3.5Å; C283-Y386 VanDerWaalsContact CB-CG 3.5Å; K284-Y386 WeakPolarHBondContact O-CE1 3.36Å; Y382-Y386 WeakPolarHBondContact O-CB 3.44Å; Y382-Y386 PolarHBondContact O-N 2.9Å; E383-Y386 PolarHBondContact O-N 3.48Å; Y386-S447 PolarHBondContact O-OG 3.11Å; Y386-R451 HydrophobicContact CD2-CG 4.08Å; Y386-R451 HydrophobicContact CE2-CG 4.04Å
387H98.3Very high96.4Very high27 Ų278.5 Ų8.513%0.1255%0.047CC..Hα-helixtrans-88.3-3.1178.1-66.5-63.9000114.4K361 L364 G365 E383 I385 V389K361-H387 PolarHBondContact O-NE2 3.47Å; L364-H387 HydrophobicContact CB-CB 4.26Å; L364-H387 WeakPolarHBondContact O-CB 3.4Å; G365-H387 WeakPolarHBondContact CA-ND1 3.29Å; E383-H387 PolarHBondContact O-CD2 2.67Å; E383-H387 VanDerWaalsContact O-CD2 3.24Å; E383-H387 PolarHBondContact O-N 3.32Å; I385-H387 VanDerWaalsContact C-N 3.31Å; I385-H387 PolarHBondContact O-N 3.08Å; H387-V389 HydrophobicContact CB-CG2 4.11Å
388G98.3Very high96.2Very high1 Ų111.2 Ų11.21%0.016%0.056CC..THydrogen-bonded Turntrans66.535.6178.400000113.7A384 I385 S443 Q444A384-G388 WeakPolarHBondContact O-CA 3.36Å; A384-G388 PolarHBondContact O-N 2.95Å; I385-G388 PolarHBondContact O-N 3.41Å; I385-G388 VanDerWaalsContact O-N 3.07Å; G388-S443 WeakPolarHBondContact CA-O 3.46Å; G388-S443 WeakPolarHBondContact O-CB 3.39Å; G388-Q444 PolarHBondContact O-NE2 3.41Å
389V98.7Very high96.1Very high9 Ų911.7 Ų11.76%0.0556%0.058CC..  trans-99.7125.9-179.8179.90000109.7L364 T369 F372 A384 H387L364-V389 HydrophobicContact CD2-CG1 4.3Å; L364-V389 VanDerWaalsContact O-CG2 3.31Å; L364-V389 WeakPolarHBondContact O-CG2 3.22Å; T369-V389 HydrophobicContact CG2-CG1 3.91Å; T369-V389 HydrophobicContact CG2-CG2 4.08Å; F372-V389 HydrophobicContact CB-CG1 3.91Å; A384-V389 PolarHBondContact O-N 3.46Å; H387-V389 HydrophobicContact CB-CG2 4.11Å
390P98.7Very high96.2Very high2 Ų210.8 Ų10.81%0.0135%0.053CC..  trans-68.5151.3176.629.9-36.1000112.1K370 V371 F372 A412 I433 S443K370-P390 VanDerWaalsContact O-CD 3.26Å; K370-P390 WeakPolarHBondContact O-CD 3.3Å; K370-P390 WeakPolarHBondContact O-CG 3.36Å; V371-P390 HydrophobicContact CG2-CG 4.37Å; F372-P390 PolarHBondContact N-O 3.41Å; P390-A412 WeakPolarHBondContact CA-O 3.49Å; P390-I433 HydrophobicContact CB-CD1 4.08Å; P390-I433 HydrophobicContact CB-CG1 4.1Å; P390-S443 VanDerWaalsContact CA-OG 3.25Å; P390-S443 WeakPolarHBondContact CA-OG 3.29Å; P390-S443 WeakPolarHBondContact CB-OG 3.39Å
391V98.8Very high96.2Very high1 Ų111 Ų111%0.0065%0.052CC..EExtended strand (participates in β ladder)trans-114126.1-171177.90000112.3F372 A374 M381 A384 L404 L407 A412 A413 R414 I433F372-V391 HydrophobicContact CD1-CG2 4.46Å; F372-V391 CarbonylContact O-C 3.48Å; F372-V391 VanDerWaalsContact O-CA 3.24Å; F372-V391 WeakPolarHBondContact O-CA 3.42Å; A374-V391 HydrophobicContact CB-CG1 4.1Å; M381-V391 HydrophobicContact CE-CG1 3.97Å; M381-V391 HydrophobicContact CE-CG2 4.31Å; M381-V391 HydrophobicContact SD-CG1 4.4Å; A384-V391 HydrophobicContact CB-CG2 3.59Å; V391-L404 HydrophobicContact CG1-CD2 3.68Å; V391-L407 HydrophobicContact CB-CD1 4.21Å; V391-L407 HydrophobicContact CG2-CD1 3.9Å; V391-A412 PolarHBondContact N-O 3.34Å; V391-A413 HydrophobicContact CB-CB 4.01Å; V391-A413 CarbonylContact O-C 3.59Å; V391-A413 WeakPolarHBondContact O-CA 3.37Å; V391-A413 VanDerWaalsContact O-CB 3.3Å; V391-A413 WeakPolarHBondContact O-CB 3.34Å; V391-R414 PolarHBondContact O-N 2.96Å; V391-I433 WeakPolarHBondContact O-CD1 3.04Å
392L98.8Very high96.2Very high0 Ų011.3 Ų11.30%05%0.054CC..EExtended strand (participates in β ladder)trans-93.1106.3160.8-175.463.8000108.8V371 F372 I373 A374 R414 V416 F426 A429 L430 I433V371-L392 HydrophobicContact CG1-CB 4.19Å; F372-L392 PolarHBondContact O-N 3.43Å; I373-L392 VanDerWaalsContact CA-O 3.29Å; I373-L392 WeakPolarHBondContact CA-O 3.36Å; I373-L392 HydrophobicContact CG1-CB 4.06Å; I373-L392 HydrophobicContact CG1-CD2 4.25Å; A374-L392 PolarHBondContact N-O 3.01Å; L392-R414 CarbonylContact C-O 3.56Å; L392-R414 WeakPolarHBondContact CA-O 3.29Å; L392-R414 HydrophobicContact CD1-CB 4.03Å; L392-R414 HydrophobicContact CD1-CG 4.2Å; L392-V416 HydrophobicContact CD1-CG2 3.99Å; L392-F426 HydrophobicContact CD2-CD2 4.1Å; L392-F426 HydrophobicContact CD2-CE2 3.62Å; L392-F426 HydrophobicContact CD2-CZ 4.3Å; L392-A429 HydrophobicContact CD1-CB 3.92Å; L392-L430 HydrophobicContact CD2-CD1 4.46Å; L392-L430 HydrophobicContact CD2-CD2 3.46Å; L392-L430 VanDerWaalsContact CD2-CD2 3.46Å; L392-L430 HydrophobicContact CD2-CG 3.5Å; L392-I433 HydrophobicContact CB-CD1 4.31Å
393G98.1Very high96.2Very high0 Ų011.2 Ų11.20%05%0.053CC..EExtended strand (participates in β ladder)trans-82.3130.3-17400000113.6A374 L404 R414 V415 V416A374-G393 CarbonylContact O-C 3.57Å; A374-G393 WeakPolarHBondContact O-CA 3.39Å; G393-L404 VanDerWaalsContact CA-CD2 3.48Å; G393-R414 PolarHBondContact N-O 2.92Å; G393-V415 WeakPolarHBondContact O-CA 3.4Å; G393-V416 PolarHBondContact O-N 3.05Å
394L97.2Very high96.2Very high0 Ų09.9 Ų9.90%05%0.047CC..  trans-125.671.3173.3-63.7-179.1000109.6M308 L310 I373 A374 H375 L396 V416 V418 L421 F426M308-L394 HydrophobicContact CE-CD1 3.91Å; L310-L394 HydrophobicContact CD2-CB 4.29Å; L310-L394 HydrophobicContact CD2-CD1 4.33Å; I373-L394 HydrophobicContact CG2-CD1 3.58Å; I373-L394 HydrophobicContact CG2-CG 4.07Å; A374-L394 PolarHBondContact O-N 2.7Å; H375-L394 VanDerWaalsContact CA-O 3.3Å; H375-L394 WeakPolarHBondContact CA-O 3.31Å; L394-L396 WeakPolarHBondContact O-CG 3.41Å; L394-V416 HydrophobicContact CD2-CB 3.84Å; L394-V416 HydrophobicContact CD2-CG1 4.3Å; L394-V418 HydrophobicContact CB-CG2 3.8Å; L394-V418 HydrophobicContact CD2-CG2 4.22Å; L394-L421 HydrophobicContact CD2-CD1 3.87Å; L394-F426 HydrophobicContact CD1-CE2 4.06Å; L394-F426 HydrophobicContact CD2-CD2 4.4Å; L394-F426 HydrophobicContact CD2-CE2 4.15Å
395P95Very high96.2Very high5 Ų511.3 Ų11.33%0.0325%0.054CC..  trans-68.8141.6-172.229.8-33000111.5H375 Q400 F401 L404 V415H375-P395 WeakPolarHBondContact O-CA 3Å; P395-Q400 HydrophobicContact CB-CB 4.1Å; P395-F401 HydrophobicContact CB-CB 4.47Å; P395-F401 HydrophobicContact CB-CD1 3.26Å; P395-F401 HydrophobicContact CB-CE1 3.44Å; P395-F401 VanDerWaalsContact CB-CE1 3.44Å; P395-F401 HydrophobicContact CB-CG 3.9Å; P395-F401 HydrophobicContact CB-CZ 4.21Å; P395-F401 HydrophobicContact CG-CD1 3.44Å; P395-F401 VanDerWaalsContact CG-CD1 3.44Å; P395-F401 HydrophobicContact CG-CE1 3.6Å; P395-F401 HydrophobicContact CG-CG 4.45Å; P395-L404 HydrophobicContact CB-CD1 3.79Å; P395-L404 HydrophobicContact CG-CD1 4.07Å; P395-V415 HydrophobicContact CG-CG1 3.96Å
396L91.9Very high96.1Very high2 Ų211.2 Ų11.21%0.015%0.054CC..  trans-123.7-46.7-174.2-59.4170.2000112.8V96 L310 V314 L317 H375 L394 F401 V418V96-L396 WeakPolarHBondContact CG1-O 3.32Å; L310-L396 HydrophobicContact CB-CD1 4.46Å; L310-L396 HydrophobicContact CD1-CD1 4.4Å; V314-L396 HydrophobicContact CB-CD1 4.31Å; V314-L396 HydrophobicContact CG1-CD1 4.03Å; V314-L396 HydrophobicContact CG2-CD1 3.74Å; L317-L396 HydrophobicContact CD2-CD1 4.05Å; L317-L396 HydrophobicContact CD2-CD2 3.77Å; H375-L396 HydrophobicContact CB-CD1 4.18Å; L394-L396 WeakPolarHBondContact O-CG 3.41Å; L396-F401 WeakPolarHBondContact O-CZ 3.35Å; L396-V418 HydrophobicContact CD2-CB 4.04Å; L396-V418 HydrophobicContact CD2-CG1 3.96Å; L396-V418 HydrophobicContact CD2-CG2 3.7Å
397L88.7Confident96.1Very high4 Ų410 Ų102%0.0215%0.049CC..SBendtrans-149.2163.9-172.6-74.9-178.6000113.4M92 I93 V96 D399 Q400M92-L397 HydrophobicContact CB-CD1 4.47Å; M92-L397 HydrophobicContact CB-CD2 4.34Å; M92-L397 HydrophobicContact CG-CD1 4.39Å; M92-L397 HydrophobicContact CG-CD2 3.69Å; M92-L397 HydrophobicContact SD-CD1 4.27Å; M92-L397 HydrophobicContact SD-CD2 4.08Å; I93-L397 HydrophobicContact CD1-CD1 4.15Å; I93-L397 HydrophobicContact CG1-CD1 3.38Å; I93-L397 HydrophobicContact CG1-CD2 4.22Å; I93-L397 HydrophobicContact CG1-CG 3.59Å; V96-L397 HydrophobicContact CB-CD2 3.93Å; V96-L397 HydrophobicContact CG1-CD2 4.48Å; V96-L397 HydrophobicContact CG2-CD2 3.51Å; L397-D399 PolarHBondContact O-N 3.21Å; L397-Q400 WeakPolarHBondContact O-CB 3.42Å; L397-Q400 WeakPolarHBondContact O-CG 3.42Å; L397-Q400 PolarHBondContact O-N 2.94Å; L397-Q400 PolarHBondContact O-NE2 3.31Å
398F89.9Confident96.1Very high66 Ų6614.3 Ų14.329%0.2897%0.067SC..THydrogen-bonded Turntrans53.7-132.2168.2-50.3-57.9000113Y89 M92 L115 L313 Q400Y89-F398 HydrophobicContact CD1-CE2 4.19Å; Y89-F398 HydrophobicContact CD1-CZ 4.1Å; Y89-F398 HydrophobicContact CE1-CE2 4.08Å; Y89-F398 AromaticContact CE1-CZ 3.87Å; Y89-F398 HydrophobicContact CE1-CZ 3.87Å; M92-F398 HydrophobicContact SD-CE1 3.68Å; M92-F398 HydrophobicContact SD-CZ 3.7Å; L115-F398 HydrophobicContact CD1-CD1 4.32Å; L115-F398 HydrophobicContact CD2-CD1 3.37Å; L115-F398 HydrophobicContact CD2-CE1 3.28Å; L313-F398 HydrophobicContact CD1-CE2 4.45Å; F398-Q400 PolarHBondContact O-N 3.24Å
399D91.7Very high96.1Very high22 Ų2217.6 Ų17.612%0.1189%0.087CC..THydrogen-bonded Turntrans-72.6-8.4-17764.8-41.1000114.7W177 T378 L397 F401 D402 N403W177-D399 HydrophobicContact CH2-CB 3.64Å; W177-D399 HydrophobicContact CZ2-CB 3.12Å; T378-D399 PolarHBondContact OG1-OD2 3.03Å; L397-D399 PolarHBondContact O-N 3.21Å; D399-F401 VanDerWaalsContact C-N 3.26Å; D399-F401 PolarHBondContact O-N 3.28Å; D399-D402 PolarHBondContact O-N 3.47Å; D399-N403 WeakPolarHBondContact O-CB 3.04Å; D399-N403 PolarHBondContact O-N 2.97Å; D399-N403 PolarHBondContact O-ND2 3.2Å; D399-N403 PolarHBondContact OD2-ND2 3.36Å
400Q95.1Very high96.1Very high13 Ų1318.9 Ų18.96%0.0619%0.091CC..Hα-helixtrans-59.2-37.9-173.3-70.8165.63200113.1H375 P395 L397 F398 L404H375-Q400 VanDerWaalsContact CD2-CD 3.46Å; H375-Q400 PolarHBondContact CD2-NE2 2.96Å; H375-Q400 WeakPolarHBondContact O-CB 3.46Å; H375-Q400 VanDerWaalsContact O-CG 3.26Å; H375-Q400 WeakPolarHBondContact O-CG 3.47Å; H375-Q400 PolarHBondContact O-OE1 3.01Å; P395-Q400 HydrophobicContact CB-CB 4.1Å; L397-Q400 WeakPolarHBondContact O-CB 3.42Å; L397-Q400 WeakPolarHBondContact O-CG 3.42Å; L397-Q400 PolarHBondContact O-N 2.94Å; L397-Q400 PolarHBondContact O-NE2 3.31Å; F398-Q400 PolarHBondContact O-N 3.24Å; Q400-L404 WeakPolarHBondContact O-CB 3.43Å; Q400-L404 WeakPolarHBondContact O-CG 3.4Å; Q400-L404 PolarHBondContact O-N 3.32Å; Q400-L404 VanDerWaalsContact O-N 3.08Å
401F95.1Very high96Very high11 Ų1119.7 Ų19.75%0.04810%0.1CC..Hα-helixtrans-64-47.8178.7-58.4-76.5000111.3V96 R100 Q111 E201 P395 L396 D399 L405V96-F401 HydrophobicContact CG1-CE2 4.17Å; V96-F401 HydrophobicContact CG1-CZ 3.87Å; R100-F401 VanDerWaalsContact NE-CE1 3.31Å; Q111-F401 VanDerWaalsContact NE2-CD2 3.31Å; E201-F401 HydrophobicContact CG-CB 3.86Å; P395-F401 HydrophobicContact CB-CB 4.47Å; P395-F401 HydrophobicContact CB-CD1 3.26Å; P395-F401 HydrophobicContact CB-CE1 3.44Å; P395-F401 VanDerWaalsContact CB-CE1 3.44Å; P395-F401 HydrophobicContact CB-CG 3.9Å; P395-F401 HydrophobicContact CB-CZ 4.21Å; P395-F401 HydrophobicContact CG-CD1 3.44Å; P395-F401 VanDerWaalsContact CG-CD1 3.44Å; P395-F401 HydrophobicContact CG-CE1 3.6Å; P395-F401 HydrophobicContact CG-CG 4.45Å; L396-F401 WeakPolarHBondContact O-CZ 3.35Å; D399-F401 VanDerWaalsContact C-N 3.26Å; D399-F401 PolarHBondContact O-N 3.28Å; F401-L405 WeakPolarHBondContact O-CB 3.31Å; F401-L405 PolarHBondContact O-N 3.09Å
402D95.6Very high96Very high7 Ų719.8 Ų19.84%0.03710%0.101CC..Hα-helixtrans-66.4-39.1179-81.5-35.7000112.8G199 E201 D399 L405 R406G199-D402 WeakPolarHBondContact CA-OD2 3.49Å; G199-D402 PolarHBondContact N-OD2 3.05Å; E201-D402 VanDerWaalsContact CA-OD1 3.3Å; E201-D402 WeakPolarHBondContact CA-OD1 3.4Å; E201-D402 PolarHBondContact N-OD1 3.46Å; D399-D402 PolarHBondContact O-N 3.47Å; D402-L405 PolarHBondContact O-N 3.45Å; D402-R406 WeakPolarHBondContact O-CG 3.41Å; D402-R406 PolarHBondContact O-N 3.22Å; D402-R406 VanDerWaalsContact O-N 3.1Å; D402-R406 PolarHBondContact O-NH1 3.07Å
403N97.4Very high96Very high0 Ų019.9 Ų19.90%010%0.101CC..Hα-helixtrans-65.4-45.5177.9-73.8-16.5000111.7F265 G376 T378 M381 D399 R406 L407F265-N403 HydrophobicContact CZ-CB 3.72Å; F265-N403 WeakPolarHBondContact CZ-OD1 3.12Å; G376-N403 WeakPolarHBondContact O-CB 3.34Å; G376-N403 PolarHBondContact O-ND2 3.4Å; T378-N403 PolarHBondContact OG1-ND2 3.41Å; M381-N403 HydrophobicContact CG-CB 4.22Å; D399-N403 WeakPolarHBondContact O-CB 3.04Å; D399-N403 PolarHBondContact O-N 2.97Å; D399-N403 PolarHBondContact O-ND2 3.2Å; D399-N403 PolarHBondContact OD2-ND2 3.36Å; N403-R406 WeakPolarHBondContact O-CB 3.38Å; N403-R406 PolarHBondContact O-N 3.37Å; N403-L407 PolarHBondContact O-N 3.08Å
404L98Very high96Very high0 Ų022.5 Ų22.50%011%0.111CC..Hα-helixtrans-70.4-33.9177.9-77170.1000112.2M381 V391 G393 P395 Q400 R406 L407 K408 V415M381-L404 HydrophobicContact CE-CD2 4.4Å; M381-L404 HydrophobicContact SD-CD2 3.78Å; M381-L404 HydrophobicContact SD-CG 4.41Å; V391-L404 HydrophobicContact CG1-CD2 3.68Å; G393-L404 VanDerWaalsContact CA-CD2 3.48Å; P395-L404 HydrophobicContact CB-CD1 3.79Å; P395-L404 HydrophobicContact CG-CD1 4.07Å; Q400-L404 WeakPolarHBondContact O-CB 3.43Å; Q400-L404 WeakPolarHBondContact O-CG 3.4Å; Q400-L404 PolarHBondContact O-N 3.32Å; Q400-L404 VanDerWaalsContact O-N 3.08Å; L404-R406 VanDerWaalsContact C-N 3.34Å; L404-R406 PolarHBondContact O-N 3.44Å; L404-L407 PolarHBondContact O-N 3.1Å; L404-K408 WeakPolarHBondContact O-CB 3.37Å; L404-K408 PolarHBondContact O-N 3.26Å; L404-V415 HydrophobicContact CB-CG2 3.89Å
405L97.8Very high96Very high31 Ų3124.6 Ų24.616%0.16212%0.124CC..Hα-helixtrans-58.4-45.2170.9178.163.5000111.6E201 L202 F401 D402 L407 K408 V409E201-L405 VanDerWaalsContact O-CD2 3.27Å; E201-L405 WeakPolarHBondContact O-CD2 3.33Å; L202-L405 VanDerWaalsContact C-CD2 3.48Å; L202-L405 WeakPolarHBondContact O-CD2 3.45Å; F401-L405 WeakPolarHBondContact O-CB 3.31Å; F401-L405 PolarHBondContact O-N 3.09Å; D402-L405 PolarHBondContact O-N 3.45Å; L405-L407 VanDerWaalsContact C-N 3.33Å; L405-L407 PolarHBondContact O-N 3.16Å; L405-K408 WeakPolarHBondContact O-CB 3.04Å; L405-K408 PolarHBondContact O-N 2.93Å; L405-K408 VanDerWaalsContact O-N 3.15Å; L405-V409 HydrophobicContact CD1-CG2 4.18Å; L405-V409 HydrophobicContact CG-CG2 4.45Å; L405-V409 WeakPolarHBondContact O-CG2 3.5Å; L405-V409 PolarHBondContact O-N 3.35Å
406R97.6Very high96.1Very high5 Ų525 Ų252%0.01913%0.126CC..Hα-helixtrans-59.2-41.4178.4-75.5163.2174.469.7-4.1112.9F265 E266 F267 D402 N403 L404 R410F265-R406 HydrophobicContact CE2-CB 4.24Å; E266-R406 IonicContact OE1-CZ 3.99Å; E266-R406 IonicContact OE1-NE 2.78Å; E266-R406 PolarHBondContact OE1-NE 3.24Å; E266-R406 IonicContact OE1-NH2 3.18Å; E266-R406 IonicContact OE2-CZ 2.71Å; E266-R406 VanDerWaalsContact OE2-CZ 3.3Å; E266-R406 IonicContact OE2-NE 2.68Å; E266-R406 PolarHBondContact OE2-NE 3.36Å; E266-R406 IonicContact OE2-NH2 3.78Å; E266-R406 PolarHBondContact OE2-NH2 3.27Å; F267-R406 HydrophobicContact CD2-CG 4.5Å; F267-R406 HydrophobicContact CE2-CG 3.89Å; F267-R406 HydrophobicContact CZ-CG 4.07Å; D402-R406 WeakPolarHBondContact O-CG 3.41Å; D402-R406 PolarHBondContact O-N 3.22Å; D402-R406 VanDerWaalsContact O-N 3.1Å; D402-R406 PolarHBondContact O-NH1 3.07Å; N403-R406 WeakPolarHBondContact O-CB 3.38Å; N403-R406 PolarHBondContact O-N 3.37Å; L404-R406 VanDerWaalsContact C-N 3.34Å; L404-R406 PolarHBondContact O-N 3.44Å; R406-R410 WeakPolarHBondContact O-CD 3.5Å; R406-R410 WeakPolarHBondContact O-CG 3.41Å; R406-R410 PolarHBondContact O-N 2.94Å; R406-R410 PolarHBondContact O-NH1 3.11Å
407L98.1Very high96.1Very high3 Ų327.2 Ų27.22%0.01614%0.136CC..Hα-helixtrans-71.6-36.5175.1-71.2-172.5000112.6F265 M381 I385 V391 N403 L404 L405 R410 G411 A412 A413 L446F265-L407 HydrophobicContact CD2-CD2 4.17Å; F265-L407 HydrophobicContact CE2-CD2 4.29Å; F265-L407 HydrophobicContact CE2-CG 4.14Å; M381-L407 HydrophobicContact CB-CD1 4.42Å; M381-L407 HydrophobicContact CG-CD1 4.42Å; M381-L407 HydrophobicContact SD-CD1 3.44Å; M381-L407 WeakPolarHBondContact SD-CD1 3.43Å; M381-L407 HydrophobicContact SD-CG 4.42Å; I385-L407 HydrophobicContact CD1-CD2 3.93Å; I385-L407 HydrophobicContact CG1-CD2 3.93Å; V391-L407 HydrophobicContact CB-CD1 4.21Å; V391-L407 HydrophobicContact CG2-CD1 3.9Å; N403-L407 PolarHBondContact O-N 3.08Å; L404-L407 PolarHBondContact O-N 3.1Å; L405-L407 VanDerWaalsContact C-N 3.33Å; L405-L407 PolarHBondContact O-N 3.16Å; L407-R410 CarbonylContact O-C 3.59Å; L407-R410 PolarHBondContact O-N 2.95Å; L407-R410 VanDerWaalsContact O-N 3.17Å; L407-G411 PolarHBondContact O-N 3.28Å; L407-A412 PolarHBondContact O-N 3.08Å; L407-A413 HydrophobicContact CB-CB 3.5Å; L407-A413 HydrophobicContact CD1-CB 4.43Å; L407-A413 PolarHBondContact O-N 3.26Å; L407-L446 HydrophobicContact CD2-CD1 4.29Å
408K98.2Very high96.3Very high119 Ų11927.1 Ų27.152%0.51714%0.136SC..Hα-helixtrans-60.8-47.1175.4-177.3-175.1176.5-175.80111.1L404 L405 R410 G411 A413 V415L404-K408 WeakPolarHBondContact O-CB 3.37Å; L404-K408 PolarHBondContact O-N 3.26Å; L405-K408 WeakPolarHBondContact O-CB 3.04Å; L405-K408 PolarHBondContact O-N 2.93Å; L405-K408 VanDerWaalsContact O-N 3.15Å; K408-R410 PolarHBondContact O-N 2.93Å; K408-G411 WeakPolarHBondContact O-CA 3.33Å; K408-G411 PolarHBondContact O-N 3.39Å; K408-A413 WeakPolarHBondContact CA-O 3.45Å; K408-V415 HydrophobicContact CB-CG2 4.41Å; K408-V415 HydrophobicContact CD-CG2 4.35Å
409V97.9Very high96.3Very high70 Ų7030.4 Ų30.442%0.42415%0.147SC..Hα-helixtrans-59.4-31.6175.9171.80000111.6H203 F267 L405 G411H203-V409 HydrophobicContact CB-CG2 3.87Å; F267-V409 HydrophobicContact CE1-CB 4.48Å; F267-V409 HydrophobicContact CE1-CG1 4.04Å; F267-V409 HydrophobicContact CZ-CB 4.5Å; F267-V409 HydrophobicContact CZ-CG1 4.46Å; F267-V409 HydrophobicContact CZ-CG2 4.39Å; L405-V409 HydrophobicContact CD1-CG2 4.18Å; L405-V409 HydrophobicContact CG-CG2 4.45Å; L405-V409 WeakPolarHBondContact O-CG2 3.5Å; L405-V409 PolarHBondContact O-N 3.35Å; V409-G411 PolarHBondContact O-N 3.46Å
410R97.9Very high96.2Very high36 Ų3632.7 Ų32.714%0.13616%0.164CC..THydrogen-bonded Turntrans-82.10.2175.6-68.4164169.870.32114V264 F265 E266 R406 L407 K408 A412 L446V264-R410 WeakPolarHBondContact O-CD 3.29Å; V264-R410 PolarHBondContact O-NE 2.99Å; V264-R410 PolarHBondContact O-NH2 2.95Å; F265-R410 VanDerWaalsContact C-NH2 3.33Å; F265-R410 PolarHBondContact O-NH1 2.96Å; F265-R410 PolarHBondContact O-NH2 3.35Å; F265-R410 VanDerWaalsContact O-NH2 3.08Å; E266-R410 VanDerWaalsContact C-NH2 3.32Å; E266-R410 PolarHBondContact O-NH2 3.25Å; R406-R410 WeakPolarHBondContact O-CD 3.5Å; R406-R410 WeakPolarHBondContact O-CG 3.41Å; R406-R410 PolarHBondContact O-N 2.94Å; R406-R410 PolarHBondContact O-NH1 3.11Å; L407-R410 CarbonylContact O-C 3.59Å; L407-R410 PolarHBondContact O-N 2.95Å; L407-R410 VanDerWaalsContact O-N 3.17Å; K408-R410 PolarHBondContact O-N 2.93Å; R410-A412 PolarHBondContact O-N 3Å; R410-L446 HydrophobicContact CB-CD1 3.93Å; R410-L446 HydrophobicContact CB-CD2 4.37Å; R410-L446 HydrophobicContact CG-CD2 4.37Å
411G98.1Very high96.2Very high19 Ų1932.5 Ų32.520%0.19616%0.164CC..THydrogen-bonded Turntrans64.524.1-177.100000113.5L407 K408 V409 Y439 N442L407-G411 PolarHBondContact O-N 3.28Å; K408-G411 WeakPolarHBondContact O-CA 3.33Å; K408-G411 PolarHBondContact O-N 3.39Å; V409-G411 PolarHBondContact O-N 3.46Å; G411-Y439 WeakPolarHBondContact O-CA 3.39Å; G411-Y439 WeakPolarHBondContact O-CD1 3.3Å; G411-N442 WeakPolarHBondContact O-CB 3.24Å; G411-N442 PolarHBondContact O-ND2 3.24Å
412A98.4Very high96.3Very high3 Ų334.9 Ų34.93%0.02518%0.179CC..SBendtrans-107.4-2.3179.200000112.8P390 V391 L407 R410 N442 L446P390-A412 WeakPolarHBondContact CA-O 3.49Å; V391-A412 PolarHBondContact N-O 3.34Å; L407-A412 PolarHBondContact O-N 3.08Å; R410-A412 PolarHBondContact O-N 3Å; A412-N442 HydrophobicContact CB-CB 4.47Å; A412-L446 HydrophobicContact CB-CD1 3.55Å
413A98.4Very high96.4Very high2 Ų237.4 Ų37.42%0.01719%0.19CC..EExtended strand (participates in β ladder)trans-140.2152175.100000113V391 L407 K408V391-A413 HydrophobicContact CB-CB 4.01Å; V391-A413 CarbonylContact O-C 3.59Å; V391-A413 WeakPolarHBondContact O-CA 3.37Å; V391-A413 VanDerWaalsContact O-CB 3.3Å; V391-A413 WeakPolarHBondContact O-CB 3.34Å; L407-A413 HydrophobicContact CB-CB 3.5Å; L407-A413 HydrophobicContact CD1-CB 4.43Å; L407-A413 PolarHBondContact O-N 3.26Å; K408-A413 WeakPolarHBondContact CA-O 3.45Å
414R98.2Very high96.5Very high54 Ų5442.8 Ų42.820%0.20422%0.218CC..EExtended strand (participates in β ladder)trans-114.7145.4162.5-176.8167.2177172.2-6.3108.2V391 L392 G393 E428 D432 I433 Y439V391-R414 PolarHBondContact O-N 2.96Å; L392-R414 CarbonylContact C-O 3.56Å; L392-R414 WeakPolarHBondContact CA-O 3.29Å; L392-R414 HydrophobicContact CD1-CB 4.03Å; L392-R414 HydrophobicContact CD1-CG 4.2Å; G393-R414 PolarHBondContact N-O 2.92Å; R414-E428 IonicContact CZ-OE1 3.53Å; R414-E428 IonicContact CZ-OE2 3.57Å; R414-E428 IonicContact NH1-OE1 3.7Å; R414-E428 PolarHBondContact NH1-OE1 3.39Å; R414-E428 IonicContact NH1-OE2 2.69Å; R414-E428 IonicContact NH2-OE1 2.62Å; R414-E428 PolarHBondContact NH2-OE1 2.91Å; R414-E428 IonicContact NH2-OE2 2.83Å; R414-E428 PolarHBondContact NH2-OE2 3.27Å; R414-D432 VanDerWaalsContact CD-OD2 3.32Å; R414-D432 WeakPolarHBondContact CD-OD2 3.43Å; R414-D432 IonicContact CZ-OD2 3.04Å; R414-D432 IonicContact NE-OD2 2.95Å; R414-D432 IonicContact NH1-OD2 3.3Å; R414-D432 PolarHBondContact NH1-OD2 3.42Å; R414-I433 HydrophobicContact CB-CD1 4.35Å; R414-Y439 HydrophobicContact CB-CE1 4.19Å
415V97.4Very high96.4Very high44 Ų4445.3 Ų45.327%0.26723%0.232SC..EExtended strand (participates in β ladder)trans-121.8132.6-175.3-1770000110.1G393 P395 L404 K408G393-V415 WeakPolarHBondContact O-CA 3.4Å; P395-V415 HydrophobicContact CG-CG1 3.96Å; L404-V415 HydrophobicContact CB-CG2 3.89Å; K408-V415 HydrophobicContact CB-CG2 4.41Å; K408-V415 HydrophobicContact CD-CG2 4.35Å
416V96.8Very high96.5Very high14 Ų1443.8 Ų43.89%0.08522%0.224CC..  trans-117.7126.7173.6177.60000108.3L392 G393 L394 V418 L421 A429L392-V416 HydrophobicContact CD1-CG2 3.99Å; G393-V416 PolarHBondContact O-N 3.05Å; L394-V416 HydrophobicContact CD2-CB 3.84Å; L394-V416 HydrophobicContact CD2-CG1 4.3Å; V416-V418 PolarHBondContact O-N 3.29Å; V416-L421 HydrophobicContact CG1-CB 4.46Å; V416-L421 HydrophobicContact CG1-CD1 4.23Å; V416-L421 HydrophobicContact CG1-CG 4.29Å; V416-A429 HydrophobicContact CG2-CB 3.53Å
417E92.9Very high96.5Very high48 Ų4844 Ų4422%0.22423%0.226CC..  trans-74118.3176.7-68.9-80.3-166.600109.5R100 R107 R419 S420 L421R100-E417 IonicContact CZ-OE1 3.32Å; R100-E417 IonicContact CZ-OE2 3.49Å; R100-E417 IonicContact NE-OE1 2.77Å; R100-E417 IonicContact NE-OE2 3.87Å; R100-E417 PolarHBondContact NE-OE2 3.43Å; R100-E417 VanDerWaalsContact NH2-CD 3.29Å; R100-E417 IonicContact NH2-OE1 2.62Å; R100-E417 PolarHBondContact NH2-OE1 2.95Å; R100-E417 IonicContact NH2-OE2 3.6Å; R100-E417 PolarHBondContact NH2-OE2 2.49Å; R107-E417 IonicContact CZ-OE1 3.36Å; R107-E417 IonicContact NH1-OE1 2.85Å; R107-E417 PolarHBondContact NH1-OE1 3.38Å; R107-E417 IonicContact NH2-OE1 3.03Å; R107-E417 PolarHBondContact NH2-OE1 2.92Å; E417-R419 PolarHBondContact O-N 2.84Å; E417-S420 PolarHBondContact O-N 3.1Å; E417-S420 VanDerWaalsContact O-N 3.13Å; E417-S420 PolarHBondContact O-OG 2.9Å; E417-L421 PolarHBondContact O-N 2.79Å
418V92.4Very high96.5Very high2 Ų248.4 Ų48.41%0.01225%0.246CC..G310 helixtrans-61-33.7-172.9178.50000112.3M97 L317 I321 L394 L396 V416 S420 L421M97-V418 HydrophobicContact CE-CG1 3.97Å; M97-V418 HydrophobicContact SD-CG1 4.35Å; L317-V418 HydrophobicContact CD1-CG1 4.16Å; L317-V418 HydrophobicContact CD2-CG1 4.23Å; I321-V418 HydrophobicContact CD1-CG1 4.08Å; I321-V418 HydrophobicContact CG2-CG1 4.27Å; L394-V418 HydrophobicContact CB-CG2 3.8Å; L394-V418 HydrophobicContact CD2-CG2 4.22Å; L396-V418 HydrophobicContact CD2-CB 4.04Å; L396-V418 HydrophobicContact CD2-CG1 3.96Å; L396-V418 HydrophobicContact CD2-CG2 3.7Å; V416-V418 PolarHBondContact O-N 3.29Å; V418-S420 VanDerWaalsContact C-N 3.29Å; V418-S420 PolarHBondContact O-N 3.47Å; V418-L421 VanDerWaalsContact O-CB 3.32Å; V418-L421 WeakPolarHBondContact O-CB 3.4Å; V418-L421 PolarHBondContact O-N 2.88Å
419R89.3Confident96.5Very high135 Ų13542.7 Ų42.751%0.50922%0.221SC..G310 helixtrans-62.2-34.2178.8174.659.2-174.590.6-3.4113.4M97 R100 E417M97-R419 WeakPolarHBondContact O-CD 3.46Å; M97-R419 WeakPolarHBondContact O-CG 3.49Å; R100-R419 HydrophobicContact CB-CB 4.29Å; E417-R419 PolarHBondContact O-N 2.84Å
420S90.4Very high96.6Very high70 Ų7039.4 Ų39.449%0.4920%0.201SC..G310 helixtrans-104.410.8-179.457.20000112.2E417 V418 T422 N425E417-S420 PolarHBondContact O-N 3.1Å; E417-S420 VanDerWaalsContact O-N 3.13Å; E417-S420 PolarHBondContact O-OG 2.9Å; V418-S420 VanDerWaalsContact C-N 3.29Å; V418-S420 PolarHBondContact O-N 3.47Å; S420-T422 PolarHBondContact O-N 3.3Å; S420-N425 PolarHBondContact O-ND2 2.9Å
421L94.9Very high96.6Very high9 Ų941.6 Ų41.65%0.04721%0.212CC..  trans-64.3130.8-179.7-168.7153.7000109.3I321 D324 I325 L394 V416 E417 V418 F426I321-L421 HydrophobicContact CG2-CD1 4.49Å; I321-L421 HydrophobicContact CG2-CD2 4.28Å; D324-L421 HydrophobicContact CB-CD2 4.01Å; I325-L421 HydrophobicContact CD1-CD1 4.14Å; I325-L421 HydrophobicContact CD1-CD2 4.49Å; I325-L421 HydrophobicContact CG1-CD1 4.1Å; I325-L421 HydrophobicContact CG1-CD2 3.88Å; L394-L421 HydrophobicContact CD2-CD1 3.87Å; V416-L421 HydrophobicContact CG1-CB 4.46Å; V416-L421 HydrophobicContact CG1-CD1 4.23Å; V416-L421 HydrophobicContact CG1-CG 4.29Å; E417-L421 PolarHBondContact O-N 2.79Å; V418-L421 VanDerWaalsContact O-CB 3.32Å; V418-L421 WeakPolarHBondContact O-CB 3.4Å; V418-L421 PolarHBondContact O-N 2.88Å; L421-F426 HydrophobicContact CD1-CB 4.39Å; L421-F426 HydrophobicContact CD1-CD2 3.84Å; L421-F426 HydrophobicContact CD1-CE2 4.41Å; L421-F426 HydrophobicContact CD1-CG 4.22Å; L421-F426 HydrophobicContact CD2-CB 4.03Å; L421-F426 HydrophobicContact CD2-CG 4.38Å; L421-F426 HydrophobicContact CG-CB 4.05Å; L421-F426 HydrophobicContact CG-CD2 4.42Å; L421-F426 HydrophobicContact CG-CG 4.4Å
422T97.1Very high96.6Very high61 Ų6142.6 Ų42.637%0.37421%0.212SC..  trans-129.6163.1167.366.10000107.9S420 D424 N425 F426S420-T422 PolarHBondContact O-N 3.3Å; T422-D424 PolarHBondContact O-N 2.89Å; T422-N425 PolarHBondContact N-ND2 2.93Å; T422-N425 PolarHBondContact N-OD1 3.2Å; T422-N425 PolarHBondContact O-N 3.05Å; T422-N425 PolarHBondContact O-OD1 2.96Å; T422-N425 PolarHBondContact OG1-N 2.96Å; T422-N425 PolarHBondContact OG1-ND2 3.48Å; T422-F426 VanDerWaalsContact O-CB 3.24Å; T422-F426 WeakPolarHBondContact O-CB 3.4Å; T422-F426 PolarHBondContact O-N 3.42Å; T422-F426 VanDerWaalsContact O-N 3.09Å
423K98Very high96.6Very high61 Ų6142.7 Ų42.727%0.26521%0.213SC..Hα-helixtrans-47.7-48.7172.9178.6-159.4168.1-159.40111.8D324 A327 A328 E331 L427D324-K423 HydrophobicContact CB-CB 4.28Å; A327-K423 HydrophobicContact CB-CD 3.94Å; A327-K423 HydrophobicContact CB-CG 3.97Å; A328-K423 HydrophobicContact CB-CG 4.15Å; E331-K423 WeakPolarHBondContact OE1-CE 3.16Å; E331-K423 IonicContact OE1-NZ 3.66Å; E331-K423 PolarHBondContact OE1-NZ 3.43Å; K423-L427 WeakPolarHBondContact O-CB 3.33Å; K423-L427 PolarHBondContact O-N 3.24Å
424D98.1Very high96.6Very high112 Ų11244.4 Ų44.460%0.59922%0.221SC*.Hα-helixtrans-69.8-45.3-171.4-61.9-26.8000112.9T422 F426 L427 E428T422-D424 PolarHBondContact O-N 2.89Å; D424-F426 VanDerWaalsContact C-N 3.33Å; D424-F426 PolarHBondContact O-N 3.28Å; D424-L427 PolarHBondContact O-N 2.95Å; D424-E428 WeakPolarHBondContact O-CB 3.4Å; D424-E428 PolarHBondContact O-N 3.18Å
425N97.7Very high96.5Very high53 Ų5348.9 Ų48.928%0.28325%0.245SC..Hα-helixtrans-71.9-30.6-179.871.124.2000112.4S420 T422 A429S420-N425 PolarHBondContact O-ND2 2.9Å; T422-N425 PolarHBondContact N-ND2 2.93Å; T422-N425 PolarHBondContact N-OD1 3.2Å; T422-N425 PolarHBondContact O-N 3.05Å; T422-N425 PolarHBondContact O-OD1 2.96Å; T422-N425 PolarHBondContact OG1-N 2.96Å; T422-N425 PolarHBondContact OG1-ND2 3.48Å; N425-A429 WeakPolarHBondContact O-CB 3.4Å; N425-A429 PolarHBondContact O-N 3.23Å
426F98.4Very high96.6Very high0 Ų049.4 Ų49.40%025%0.246CC..Hα-helixtrans-72.8-42.3176.4-177.2-113.2000111I325 A328 F329 I373 L392 L394 L421 T422 D424 A429 L430I325-F426 HydrophobicContact CB-CE1 4.15Å; I325-F426 HydrophobicContact CG1-CD1 4.16Å; I325-F426 HydrophobicContact CG1-CE1 3.97Å; I325-F426 HydrophobicContact CG1-CZ 4.22Å; I325-F426 HydrophobicContact CG2-CE1 3.84Å; I325-F426 HydrophobicContact CG2-CZ 4.21Å; A328-F426 HydrophobicContact CB-CD1 3.65Å; A328-F426 HydrophobicContact CB-CE1 4.32Å; F329-F426 HydrophobicContact CD1-CE1 4.19Å; F329-F426 AromaticContact CE1-CE1 3.62Å; F329-F426 HydrophobicContact CE1-CE1 3.62Å; F329-F426 AromaticContact CE1-CZ 3.91Å; F329-F426 HydrophobicContact CE1-CZ 3.91Å; F329-F426 AromaticContact CZ-CE1 3.99Å; F329-F426 HydrophobicContact CZ-CE1 3.99Å; F329-F426 HydrophobicContact CZ-CZ 4.06Å; I373-F426 HydrophobicContact CD1-CZ 4.02Å; I373-F426 HydrophobicContact CG2-CE2 4.44Å; I373-F426 HydrophobicContact CG2-CZ 4.39Å; L392-F426 HydrophobicContact CD2-CD2 4.1Å; L392-F426 HydrophobicContact CD2-CE2 3.62Å; L392-F426 HydrophobicContact CD2-CZ 4.3Å; L394-F426 HydrophobicContact CD1-CE2 4.06Å; L394-F426 HydrophobicContact CD2-CD2 4.4Å; L394-F426 HydrophobicContact CD2-CE2 4.15Å; L421-F426 HydrophobicContact CD1-CB 4.39Å; L421-F426 HydrophobicContact CD1-CD2 3.84Å; L421-F426 HydrophobicContact CD1-CE2 4.41Å; L421-F426 HydrophobicContact CD1-CG 4.22Å; L421-F426 HydrophobicContact CD2-CB 4.03Å; L421-F426 HydrophobicContact CD2-CG 4.38Å; L421-F426 HydrophobicContact CG-CB 4.05Å; L421-F426 HydrophobicContact CG-CD2 4.42Å; L421-F426 HydrophobicContact CG-CG 4.4Å; T422-F426 VanDerWaalsContact O-CB 3.24Å; T422-F426 WeakPolarHBondContact O-CB 3.4Å; T422-F426 PolarHBondContact O-N 3.42Å; T422-F426 VanDerWaalsContact O-N 3.09Å; D424-F426 VanDerWaalsContact C-N 3.33Å; D424-F426 PolarHBondContact O-N 3.28Å; F426-A429 PolarHBondContact O-N 3.38Å; F426-L430 HydrophobicContact CD1-CD1 3.71Å; F426-L430 HydrophobicContact CE1-CD1 3.34Å; F426-L430 HydrophobicContact CE1-CG 4.4Å; F426-L430 HydrophobicContact CE2-CD1 4.3Å; F426-L430 HydrophobicContact CG-CD1 4.34Å; F426-L430 HydrophobicContact CZ-CD1 3.69Å; F426-L430 HydrophobicContact CZ-CG 4.36Å; F426-L430 WeakPolarHBondContact O-CB 3.29Å; F426-L430 WeakPolarHBondContact O-CG 3.49Å; F426-L430 PolarHBondContact O-N 2.69Å
427L98.6Very high96.6Very high9 Ų953.5 Ų53.55%0.04727%0.273CS..Hα-helixtrans-62.6-42.9174.7-178.959.9000112A328 E331 L332 K423 D424 L430 K431A328-L427 HydrophobicContact CB-CB 4.01Å; E331-L427 HydrophobicContact CB-CD1 4.33Å; E331-L427 HydrophobicContact CB-CD2 4.08Å; E331-L427 HydrophobicContact CG-CD2 4.46Å; E331-L427 WeakPolarHBondContact OE2-CD2 3.32Å; L332-L427 HydrophobicContact CD2-CD1 3.78Å; L332-L427 HydrophobicContact CG-CD1 4.27Å; K423-L427 WeakPolarHBondContact O-CB 3.33Å; K423-L427 PolarHBondContact O-N 3.24Å; D424-L427 PolarHBondContact O-N 2.95Å; L427-L430 PolarHBondContact O-N 3.07Å; L427-K431 HydrophobicContact CD1-CD 4.5Å; L427-K431 HydrophobicContact CD1-CG 4.48Å; L427-K431 HydrophobicContact CG-CD 4.36Å; L427-K431 WeakPolarHBondContact O-CG 3.28Å; L427-K431 PolarHBondContact O-N 3.33Å
428E98.3Very high96.9Very high95 Ų9553.5 Ų53.544%0.44428%0.278SS..Hα-helixtrans-63.1-45.7176.2178.7-83142.900111.3R414 D424 L430 K431 D432R414-E428 IonicContact CZ-OE1 3.53Å; R414-E428 IonicContact CZ-OE2 3.57Å; R414-E428 IonicContact NH1-OE1 3.7Å; R414-E428 PolarHBondContact NH1-OE1 3.39Å; R414-E428 IonicContact NH1-OE2 2.69Å; R414-E428 IonicContact NH2-OE1 2.62Å; R414-E428 PolarHBondContact NH2-OE1 2.91Å; R414-E428 IonicContact NH2-OE2 2.83Å; R414-E428 PolarHBondContact NH2-OE2 3.27Å; D424-E428 WeakPolarHBondContact O-CB 3.4Å; D424-E428 PolarHBondContact O-N 3.18Å; E428-L430 VanDerWaalsContact C-N 3.28Å; E428-L430 PolarHBondContact O-N 2.74Å; E428-K431 PolarHBondContact O-N 3.46Å; E428-D432 PolarHBondContact O-N 3.12Å
429A98.4Very high97.2Very high0 Ų054.9 Ų54.90%028%0.283CS..Hα-helixtrans-61.7-36176.300000113L392 V416 N425 F426 I433L392-A429 HydrophobicContact CD1-CB 3.92Å; V416-A429 HydrophobicContact CG2-CB 3.53Å; N425-A429 WeakPolarHBondContact O-CB 3.4Å; N425-A429 PolarHBondContact O-N 3.23Å; F426-A429 PolarHBondContact O-N 3.38Å; A429-I433 WeakPolarHBondContact O-CG2 3.11Å; A429-I433 PolarHBondContact O-N 3.05Å; A429-I433 VanDerWaalsContact O-N 3.17Å
430L98.1Very high97.6Very high0 Ų053.3 Ų53.30%028%0.281CS..Hα-helixtrans-66-45.1173.5-82.3165.3000112.3V306 F329 L332 I373 L392 F426 L427 E428 I433 L434V306-L430 HydrophobicContact CG1-CD2 4.46Å; F329-L430 HydrophobicContact CD1-CD1 4.07Å; F329-L430 HydrophobicContact CE1-CD1 3.82Å; L332-L430 HydrophobicContact CD1-CD1 4.22Å; I373-L430 HydrophobicContact CD1-CD2 3.78Å; I373-L430 HydrophobicContact CG1-CD2 4.05Å; L392-L430 HydrophobicContact CD2-CD1 4.46Å; L392-L430 HydrophobicContact CD2-CD2 3.46Å; L392-L430 VanDerWaalsContact CD2-CD2 3.46Å; L392-L430 HydrophobicContact CD2-CG 3.5Å; F426-L430 HydrophobicContact CD1-CD1 3.71Å; F426-L430 HydrophobicContact CE1-CD1 3.34Å; F426-L430 HydrophobicContact CE1-CG 4.4Å; F426-L430 HydrophobicContact CE2-CD1 4.3Å; F426-L430 HydrophobicContact CG-CD1 4.34Å; F426-L430 HydrophobicContact CZ-CD1 3.69Å; F426-L430 HydrophobicContact CZ-CG 4.36Å; F426-L430 WeakPolarHBondContact O-CB 3.29Å; F426-L430 WeakPolarHBondContact O-CG 3.49Å; F426-L430 PolarHBondContact O-N 2.69Å; L427-L430 PolarHBondContact O-N 3.07Å; E428-L430 VanDerWaalsContact C-N 3.28Å; E428-L430 PolarHBondContact O-N 2.74Å; L430-I433 VanDerWaalsContact O-CG2 3.31Å; L430-I433 WeakPolarHBondContact O-CG2 3.25Å; L430-I433 PolarHBondContact O-N 3.35Å; L430-L434 VanDerWaalsContact O-CB 3.3Å; L430-L434 WeakPolarHBondContact O-CB 3.39Å; L430-L434 VanDerWaalsContact O-CD1 3.31Å; L430-L434 WeakPolarHBondContact O-CD1 3.4Å; L430-L434 WeakPolarHBondContact O-CG 3.25Å; L430-L434 PolarHBondContact O-N 2.94Å
431K98.4Very high98Very high82 Ų8257.6 Ų57.636%0.35729%0.291SS..Hα-helixtrans-62.1-47.2177.8-74.8176.4178173.70111.3L427 E428 I433 L434 E435L427-K431 HydrophobicContact CD1-CD 4.5Å; L427-K431 HydrophobicContact CD1-CG 4.48Å; L427-K431 HydrophobicContact CG-CD 4.36Å; L427-K431 WeakPolarHBondContact O-CG 3.28Å; L427-K431 PolarHBondContact O-N 3.33Å; E428-K431 PolarHBondContact O-N 3.46Å; K431-I433 PolarHBondContact O-N 2.87Å; K431-L434 PolarHBondContact O-N 2.8Å; K431-E435 VanDerWaalsContact O-CB 3.27Å; K431-E435 WeakPolarHBondContact O-CB 3.4Å; K431-E435 VanDerWaalsContact O-CG 3.28Å; K431-E435 WeakPolarHBondContact O-CG 3.34Å; K431-E435 PolarHBondContact O-N 3.38Å
432D98.5Very high98.1Very high40 Ų4059 Ų5921%0.21430%0.299CS..Hα-helixtrans-57.6-48.8176.9173.453.5000112.1R414 E428 L434 E435 N436 Y439R414-D432 VanDerWaalsContact CD-OD2 3.32Å; R414-D432 WeakPolarHBondContact CD-OD2 3.43Å; R414-D432 IonicContact CZ-OD2 3.04Å; R414-D432 IonicContact NE-OD2 2.95Å; R414-D432 IonicContact NH1-OD2 3.3Å; R414-D432 PolarHBondContact NH1-OD2 3.42Å; E428-D432 PolarHBondContact O-N 3.12Å; D432-L434 VanDerWaalsContact C-N 3.29Å; D432-L434 PolarHBondContact O-N 3.47Å; D432-E435 PolarHBondContact O-N 2.99Å; D432-N436 WeakPolarHBondContact O-CB 3.46Å; D432-N436 PolarHBondContact O-N 2.92Å; D432-N436 PolarHBondContact OD1-ND2 2.68Å; D432-Y439 WeakPolarHBondContact OD2-CE2 3.42Å; D432-Y439 PolarHBondContact OD2-OH 3.45Å
433I98.1Very high98.2Very high5 Ų556.3 Ų56.33%0.02628%0.282CS..Hα-helixtrans-69.2-27.3-178.5-161.9169.1000113.2V371 P390 V391 L392 R414 A429 L430 K431 Y439V371-I433 HydrophobicContact CG1-CD1 4.37Å; V371-I433 HydrophobicContact CG1-CG2 3.98Å; V371-I433 HydrophobicContact CG2-CG1 4.43Å; V371-I433 HydrophobicContact CG2-CG2 3.83Å; P390-I433 HydrophobicContact CB-CD1 4.08Å; P390-I433 HydrophobicContact CB-CG1 4.1Å; V391-I433 WeakPolarHBondContact O-CD1 3.04Å; L392-I433 HydrophobicContact CB-CD1 4.31Å; R414-I433 HydrophobicContact CB-CD1 4.35Å; A429-I433 WeakPolarHBondContact O-CG2 3.11Å; A429-I433 PolarHBondContact O-N 3.05Å; A429-I433 VanDerWaalsContact O-N 3.17Å; L430-I433 VanDerWaalsContact O-CG2 3.31Å; L430-I433 WeakPolarHBondContact O-CG2 3.25Å; L430-I433 PolarHBondContact O-N 3.35Å; K431-I433 PolarHBondContact O-N 2.87Å; I433-Y439 HydrophobicContact CB-CD2 4.22Å; I433-Y439 HydrophobicContact CB-CE2 4.32Å; I433-Y439 HydrophobicContact CG1-CD1 4.29Å; I433-Y439 HydrophobicContact CG1-CD2 3.86Å; I433-Y439 HydrophobicContact CG1-CE2 4.32Å; I433-Y439 HydrophobicContact CG1-CG 3.82Å
434L97.9Very high98.2Very high39 Ų3957.4 Ų57.420%0.20429%0.288CS..Hα-helixtrans-76.7-36.2175.5-75.8164.7000112.7V306 L332 Q334 K370 V371 L430 K431 D432V306-L434 HydrophobicContact CG2-CD1 4.44Å; V306-L434 HydrophobicContact CG2-CD2 4.27Å; L332-L434 HydrophobicContact CD2-CD1 4.24Å; Q334-L434 HydrophobicContact CG-CD1 4.35Å; Q334-L434 HydrophobicContact CG-CD2 4.26Å; K370-L434 HydrophobicContact CB-CD2 3.75Å; V371-L434 HydrophobicContact CB-CD2 4.42Å; V371-L434 HydrophobicContact CG2-CD2 3.52Å; V371-L434 HydrophobicContact CG2-CG 3.89Å; L430-L434 VanDerWaalsContact O-CB 3.3Å; L430-L434 WeakPolarHBondContact O-CB 3.39Å; L430-L434 VanDerWaalsContact O-CD1 3.31Å; L430-L434 WeakPolarHBondContact O-CD1 3.4Å; L430-L434 WeakPolarHBondContact O-CG 3.25Å; L430-L434 PolarHBondContact O-N 2.94Å; K431-L434 PolarHBondContact O-N 2.8Å; D432-L434 VanDerWaalsContact C-N 3.29Å; D432-L434 PolarHBondContact O-N 3.47Å
435E97.3Very high98.3Very high148 Ų14857.8 Ų57.869%0.69228%0.281SS*.Hα-helixtrans-96.9-31.5-171.4-66.9172-168.500112.9K431 D432 P437K431-E435 VanDerWaalsContact O-CB 3.27Å; K431-E435 WeakPolarHBondContact O-CB 3.4Å; K431-E435 VanDerWaalsContact O-CG 3.28Å; K431-E435 WeakPolarHBondContact O-CG 3.34Å; K431-E435 PolarHBondContact O-N 3.38Å; D432-E435 PolarHBondContact O-N 2.99Å; E435-P437 VanDerWaalsContact O-CD 3.26Å; E435-P437 WeakPolarHBondContact O-CD 3.35Å
436N98.2Very high98.3Very high54 Ų5455.4 Ų55.429%0.28927%0.269SS..  trans-79.2111.3-178.6-176.2-20.5000110.7D432 S438 Y439D432-N436 WeakPolarHBondContact O-CB 3.46Å; D432-N436 PolarHBondContact O-N 2.92Å; D432-N436 PolarHBondContact OD1-ND2 2.68Å; N436-S438 PolarHBondContact O-N 3.4Å; N436-S438 VanDerWaalsContact O-N 3.08Å; N436-S438 VanDerWaalsContact OD1-CB 3.28Å; N436-S438 WeakPolarHBondContact OD1-CB 3.06Å; N436-S438 PolarHBondContact OD1-N 3.41Å; N436-S438 PolarHBondContact OD1-OG 2.99Å; N436-Y439 HydrophobicContact CB-CD2 3.84Å; N436-Y439 HydrophobicContact CB-CE2 3.89Å; N436-Y439 PolarHBondContact O-N 3.09Å
437P97.5Very high98.3Very high101 Ų10156 Ų5666%0.65627%0.273SS*.Hα-helixtrans-68.7-14.9-173.228.7-36000113.4E435 Y439 H440 K441E435-P437 VanDerWaalsContact O-CD 3.26Å; E435-P437 WeakPolarHBondContact O-CD 3.35Å; P437-Y439 VanDerWaalsContact C-N 3.34Å; P437-Y439 PolarHBondContact O-N 2.84Å; P437-H440 PolarHBondContact O-N 3.3Å; P437-K441 WeakPolarHBondContact O-CB 3.32Å; P437-K441 PolarHBondContact O-N 3.27Å
438S98.4Very high98.3Very high47 Ų4763 Ų6333%0.32930%0.303SS..Hα-helixtrans-62.2-40-179.468.70000112.2N436 H440 K441 N442N436-S438 PolarHBondContact O-N 3.4Å; N436-S438 VanDerWaalsContact O-N 3.08Å; N436-S438 VanDerWaalsContact OD1-CB 3.28Å; N436-S438 WeakPolarHBondContact OD1-CB 3.06Å; N436-S438 PolarHBondContact OD1-N 3.41Å; N436-S438 PolarHBondContact OD1-OG 2.99Å; S438-H440 PolarHBondContact O-N 3.08Å; S438-K441 PolarHBondContact O-N 2.97Å; S438-N442 VanDerWaalsContact O-CB 3.28Å; S438-N442 WeakPolarHBondContact O-CB 3.35Å; S438-N442 VanDerWaalsContact O-CG 3.24Å; S438-N442 PolarHBondContact O-N 3.48Å; S438-N442 PolarHBondContact O-ND2 3.11Å; S438-N442 VanDerWaalsContact O-ND2 3.13Å
439Y98.7Very high98.3Very high31 Ų3162.3 Ų62.312%0.12230%0.302CS..Hα-helixtrans-62.8-46.3179.2-63.8-73000111.8G411 R414 D432 I433 N436 P437 S443G411-Y439 WeakPolarHBondContact O-CA 3.39Å; G411-Y439 WeakPolarHBondContact O-CD1 3.3Å; R414-Y439 HydrophobicContact CB-CE1 4.19Å; D432-Y439 WeakPolarHBondContact OD2-CE2 3.42Å; D432-Y439 PolarHBondContact OD2-OH 3.45Å; I433-Y439 HydrophobicContact CB-CD2 4.22Å; I433-Y439 HydrophobicContact CB-CE2 4.32Å; I433-Y439 HydrophobicContact CG1-CD1 4.29Å; I433-Y439 HydrophobicContact CG1-CD2 3.86Å; I433-Y439 HydrophobicContact CG1-CE2 4.32Å; I433-Y439 HydrophobicContact CG1-CG 3.82Å; N436-Y439 HydrophobicContact CB-CD2 3.84Å; N436-Y439 HydrophobicContact CB-CE2 3.89Å; N436-Y439 PolarHBondContact O-N 3.09Å; P437-Y439 VanDerWaalsContact C-N 3.34Å; P437-Y439 PolarHBondContact O-N 2.84Å; Y439-S443 WeakPolarHBondContact O-CB 3.48Å; Y439-S443 PolarHBondContact O-N 3.01Å; Y439-S443 PolarHBondContact O-OG 2.93Å
440H97.9Very high98.3Very high102 Ų10262.4 Ų62.447%0.47230%0.302SS..Hα-helixtrans-65.2-46.7177.7-174.761.8000111.3P437 S438 N442 S443 Q444P437-H440 PolarHBondContact O-N 3.3Å; S438-H440 PolarHBondContact O-N 3.08Å; H440-N442 VanDerWaalsContact C-N 3.34Å; H440-N442 PolarHBondContact O-N 2.98Å; H440-S443 PolarHBondContact O-N 3.5Å; H440-Q444 WeakPolarHBondContact O-CG 3.2Å; H440-Q444 PolarHBondContact O-N 3.1Å
441K98.6Very high98.2Very high160 Ų16067.8 Ų67.870%0.69632%0.322SS*.Hα-helixtrans-59.3-43.5178.2-174179.1-179.6-178.90112.1P437 S438 R445P437-K441 WeakPolarHBondContact O-CB 3.32Å; P437-K441 PolarHBondContact O-N 3.27Å; S438-K441 PolarHBondContact O-N 2.97Å; K441-R445 WeakPolarHBondContact O-CB 3.46Å; K441-R445 PolarHBondContact O-N 2.9Å
442N98.8Very high98.1Very high40 Ų4069.9 Ų69.921%0.21434%0.338CS..Hα-helixtrans-67.1-42.1177.2-74-31000111.6G411 A412 S438 H440 Q444 R445 L446G411-N442 WeakPolarHBondContact O-CB 3.24Å; G411-N442 PolarHBondContact O-ND2 3.24Å; A412-N442 HydrophobicContact CB-CB 4.47Å; S438-N442 VanDerWaalsContact O-CB 3.28Å; S438-N442 WeakPolarHBondContact O-CB 3.35Å; S438-N442 VanDerWaalsContact O-CG 3.24Å; S438-N442 PolarHBondContact O-N 3.48Å; S438-N442 PolarHBondContact O-ND2 3.11Å; S438-N442 VanDerWaalsContact O-ND2 3.13Å; H440-N442 VanDerWaalsContact C-N 3.34Å; H440-N442 PolarHBondContact O-N 2.98Å; N442-Q444 PolarHBondContact O-N 2.85Å; N442-R445 WeakPolarHBondContact O-CB 3.39Å; N442-R445 PolarHBondContact O-N 3.44Å; N442-L446 WeakPolarHBondContact O-CG 3.38Å; N442-L446 PolarHBondContact O-N 2.99Å
443S98.6Very high97.9Very high3 Ų371.5 Ų71.52%0.02134%0.341CS..Hα-helixtrans-62.7-43.1177.6-56.20000111.9G388 P390 Y439 H440 R445 L446 S447G388-S443 WeakPolarHBondContact CA-O 3.46Å; G388-S443 WeakPolarHBondContact O-CB 3.39Å; P390-S443 VanDerWaalsContact CA-OG 3.25Å; P390-S443 WeakPolarHBondContact CA-OG 3.29Å; P390-S443 WeakPolarHBondContact CB-OG 3.39Å; Y439-S443 WeakPolarHBondContact O-CB 3.48Å; Y439-S443 PolarHBondContact O-N 3.01Å; Y439-S443 PolarHBondContact O-OG 2.93Å; H440-S443 PolarHBondContact O-N 3.5Å; S443-R445 PolarHBondContact O-N 3.46Å; S443-L446 PolarHBondContact O-N 3.37Å; S443-S447 PolarHBondContact O-N 3.44Å
444Q98.6Very high97.8Very high84 Ų8478 Ų7839%0.39338%0.383SS..Hα-helixtrans-63.1-40.3174-69.3-63.6-45.600112.1G388 H440 N442 S447 K448G388-Q444 PolarHBondContact O-NE2 3.41Å; H440-Q444 WeakPolarHBondContact O-CG 3.2Å; H440-Q444 PolarHBondContact O-N 3.1Å; N442-Q444 PolarHBondContact O-N 2.85Å; Q444-S447 PolarHBondContact O-N 3.11Å; Q444-K448 PolarHBondContact O-N 3.2Å
445R98.8Very high97.7Very high120 Ų12080.3 Ų80.345%0.45339%0.394SS..Hα-helixtrans-61-45.9173.9-176.9-176.466.982.2-0.4111.6K441 N442 S443 K448 L449K441-R445 WeakPolarHBondContact O-CB 3.46Å; K441-R445 PolarHBondContact O-N 2.9Å; N442-R445 WeakPolarHBondContact O-CB 3.39Å; N442-R445 PolarHBondContact O-N 3.44Å; S443-R445 PolarHBondContact O-N 3.46Å; R445-K448 PolarHBondContact O-N 3.31Å; R445-L449 HydrophobicContact CG-CD1 4.32Å; R445-L449 WeakPolarHBondContact O-CG 3.38Å; R445-L449 PolarHBondContact O-N 2.9Å
446L98.6Very high97.6Very high4 Ų475.7 Ų75.72%0.02138%0.378CS..Hα-helixtrans-64.3-41.9177.4-66178000111.5V264 I385 L407 R410 A412 N442 S443 K448 L449 H450V264-L446 HydrophobicContact CG1-CB 4.11Å; V264-L446 HydrophobicContact CG1-CD2 3.85Å; I385-L446 HydrophobicContact CG2-CB 4.25Å; L407-L446 HydrophobicContact CD2-CD1 4.29Å; R410-L446 HydrophobicContact CB-CD1 3.93Å; R410-L446 HydrophobicContact CB-CD2 4.37Å; R410-L446 HydrophobicContact CG-CD2 4.37Å; A412-L446 HydrophobicContact CB-CD1 3.55Å; N442-L446 WeakPolarHBondContact O-CG 3.38Å; N442-L446 PolarHBondContact O-N 2.99Å; S443-L446 PolarHBondContact O-N 3.37Å; L446-K448 VanDerWaalsContact C-N 3.35Å; L446-K448 PolarHBondContact O-N 2.93Å; L446-L449 PolarHBondContact O-N 3.2Å; L446-H450 VanDerWaalsContact O-CB 3.24Å; L446-H450 WeakPolarHBondContact O-CB 3.18Å; L446-H450 PolarHBondContact O-N 3.23Å
447S98.5Very high97.5Very high11 Ų1173.4 Ų73.48%0.07737%0.367CS..Hα-helixtrans-56-48.8174.4177.90000111.9I385 Y386 S443 Q444 L449 H450 R451I385-S447 WeakPolarHBondContact O-CA 3.17Å; I385-S447 WeakPolarHBondContact O-CB 3.47Å; I385-S447 PolarHBondContact O-OG 3.01Å; Y386-S447 PolarHBondContact O-OG 3.11Å; S443-S447 PolarHBondContact O-N 3.44Å; Q444-S447 PolarHBondContact O-N 3.11Å; S447-L449 PolarHBondContact O-N 2.83Å; S447-H450 PolarHBondContact O-N 2.8Å; S447-R451 WeakPolarHBondContact O-CB 3.5Å; S447-R451 WeakPolarHBondContact O-CG 3.41Å; S447-R451 PolarHBondContact O-N 2.91Å
448K98.4Very high97.5Very high156 Ų15669.7 Ų69.768%0.67834%0.341SS*.Hα-helixtrans-58.8-49.6177.8-174.5179.5177.9-1780111.3Q444 R445 L446 H450 R451 D452Q444-K448 PolarHBondContact O-N 3.2Å; R445-K448 PolarHBondContact O-N 3.31Å; L446-K448 VanDerWaalsContact C-N 3.35Å; L446-K448 PolarHBondContact O-N 2.93Å; K448-H450 VanDerWaalsContact C-N 3.34Å; K448-H450 PolarHBondContact O-N 3.43Å; K448-R451 PolarHBondContact O-N 3.34Å; K448-D452 VanDerWaalsContact O-CB 3.26Å; K448-D452 WeakPolarHBondContact O-CB 3.26Å; K448-D452 PolarHBondContact O-N 2.96Å
449L98.2Very high97.5Very high81 Ų8170.6 Ų70.642%0.42434%0.342SS..Hα-helixtrans-61.7-41.8178.4-71.2171.5000112.2V264 R445 L446 S447 R451 D452V264-L449 HydrophobicContact CG1-CB 4.19Å; V264-L449 HydrophobicContact CG2-CB 3.85Å; R445-L449 HydrophobicContact CG-CD1 4.32Å; R445-L449 WeakPolarHBondContact O-CG 3.38Å; R445-L449 PolarHBondContact O-N 2.9Å; L446-L449 PolarHBondContact O-N 3.2Å; S447-L449 PolarHBondContact O-N 2.83Å; L449-R451 VanDerWaalsContact C-N 3.35Å; L449-D452 PolarHBondContact O-N 3.47Å
450H97.7Very high97.5Very high3 Ų370.5 Ų70.51%0.01435%0.345CS..Hα-helixtrans-64.7-41.8180-178.372.7000110.7D262 V264 G279 Y382 I385 L446 S447 K448 R453D262-H450 IonicContact OD2-CE1 2.95Å; D262-H450 PolarHBondContact OD2-CE1 3.46Å; D262-H450 IonicContact OD2-ND1 3.35Å; D262-H450 PolarHBondContact OD2-ND1 3.47Å; V264-H450 HydrophobicContact CB-CB 4.38Å; V264-H450 HydrophobicContact CG1-CB 4.12Å; V264-H450 HydrophobicContact CG2-CB 4.42Å; G279-H450 PolarHBondContact O-CE1 3.49Å; Y382-H450 AromaticContact CD1-CE1 3.41Å; Y382-H450 VanDerWaalsContact CD1-CE1 3.41Å; Y382-H450 WeakPolarHBondContact CD1-CE1 3.46Å; Y382-H450 AromaticContact CE1-CE1 3.63Å; I385-H450 HydrophobicContact CG2-CB 3.65Å; L446-H450 VanDerWaalsContact O-CB 3.24Å; L446-H450 WeakPolarHBondContact O-CB 3.18Å; L446-H450 PolarHBondContact O-N 3.23Å; S447-H450 PolarHBondContact O-N 2.8Å; K448-H450 VanDerWaalsContact C-N 3.34Å; K448-H450 PolarHBondContact O-N 3.43Å; H450-R453 PolarHBondContact CD2-NH2 3.31Å; H450-R453 PolarHBondContact CE1-NH2 3.41Å; H450-R453 PolarHBondContact ND1-NH2 2.93Å; H450-R453 PolarHBondContact NE2-NH2 2.98Å; H450-R453 PolarHBondContact O-NE 3Å; H450-R453 PolarHBondContact O-NH2 3.05Å
451R96.1Very high97.5Very high112 Ų11265.6 Ų65.642%0.42332%0.322SS..Hα-helixtrans-78.9-18.7-178.7-66.3176.167.5153.63.8113.4E285 Y386 S447 K448 L449 R453E285-R451 IonicContact OE1-NH2 3.85Å; E285-R451 PolarHBondContact OE1-NH2 2.77Å; Y386-R451 HydrophobicContact CD2-CG 4.08Å; Y386-R451 HydrophobicContact CE2-CG 4.04Å; S447-R451 WeakPolarHBondContact O-CB 3.5Å; S447-R451 WeakPolarHBondContact O-CG 3.41Å; S447-R451 PolarHBondContact O-N 2.91Å; K448-R451 PolarHBondContact O-N 3.34Å; L449-R451 VanDerWaalsContact C-N 3.35Å; R451-R453 PolarHBondContact O-N 3.04Å; R451-R453 VanDerWaalsContact O-N 3.11Å
452D96.8Very high97.5Very high127 Ų12758 Ų5868%0.67929%0.289SS*.  trans-80.685.5179.4-168.114.6000111.2K448 L449K448-D452 VanDerWaalsContact O-CB 3.26Å; K448-D452 WeakPolarHBondContact O-CB 3.26Å; K448-D452 PolarHBondContact O-N 2.96Å; L449-D452 PolarHBondContact O-N 3.47Å
453R94.4Very high97.5Very high73 Ų7360.2 Ų60.228%0.27530%0.297SS..  trans-143.5149.9-176.860.2-179.784.8177.913.5111G279 H450 R451 M455G279-R453 PolarHBondContact O-NH1 3.39Å; H450-R453 PolarHBondContact CD2-NH2 3.31Å; H450-R453 PolarHBondContact CE1-NH2 3.41Å; H450-R453 PolarHBondContact ND1-NH2 2.93Å; H450-R453 PolarHBondContact NE2-NH2 2.98Å; H450-R453 PolarHBondContact O-NE 3Å; H450-R453 PolarHBondContact O-NH2 3.05Å; R451-R453 PolarHBondContact O-N 3.04Å; R451-R453 VanDerWaalsContact O-N 3.11Å; R453-M455 VanDerWaalsContact C-N 3.32Å; R453-M455 WeakPolarHBondContact CD-O 3.4Å; R453-M455 WeakPolarHBondContact CG-O 3.47Å; R453-M455 PolarHBondContact O-N 2.81Å
454P95.2Very high97.5Very high141 Ų14162.6 Ų62.692%0.91631%0.306SS*.SBendtrans-67.3-31.3-177.226-34.8000113.4
455M96Very high97.5Very high89 Ų8958.6 Ų58.644%0.43829%0.287SS..SBendtrans-135.8149.8175.2-71.317863.300109.3R453 D459 F463R453-M455 VanDerWaalsContact C-N 3.32Å; R453-M455 WeakPolarHBondContact CD-O 3.4Å; R453-M455 WeakPolarHBondContact CG-O 3.47Å; R453-M455 PolarHBondContact O-N 2.81Å; M455-D459 HydrophobicContact CE-CB 3.85Å; M455-F463 HydrophobicContact CE-CB 4.36Å
456S95.9Very high97.4Very high51 Ų5154.6 Ų54.636%0.35727%0.273SS..  trans-59151.8172.5840000110.3M458 D459 T460S456-M458 PolarHBondContact O-N 2.78Å; S456-D459 WeakPolarHBondContact CB-OD2 3.32Å; S456-D459 PolarHBondContact O-N 3.46Å; S456-D459 WeakPolarHBondContact OG-CB 3.36Å; S456-D459 PolarHBondContact OG-N 2.93Å; S456-D459 PolarHBondContact OG-OD2 2.93Å; S456-T460 WeakPolarHBondContact O-CB 3.26Å; S456-T460 PolarHBondContact O-N 3.29Å; S456-T460 PolarHBondContact O-OG1 2.85Å
457A96.8Very high97.4Very high6 Ų656.7 Ų56.75%0.0528%0.281CS..Hα-helixtrans-64.2-30.817700000112.4I278 F281 A461I278-A457 HydrophobicContact CB-CB 4.22Å; F281-A457 HydrophobicContact CB-CB 3.71Å; A457-A461 WeakPolarHBondContact O-CB 3.42Å; A457-A461 PolarHBondContact O-N 3.42Å
458M97.4Very high97.4Very high22 Ų2256.2 Ų56.211%0.10828%0.278CS..Hα-helixtrans-65.5-50.3173.7-175.959.873.300111I42 I43 E46 F281 S456 T460 A461 I462I42-M458 HydrophobicContact CB-CE 4.2Å; I42-M458 HydrophobicContact CG2-CE 3.43Å; I42-M458 VanDerWaalsContact CG2-CE 3.43Å; I43-M458 HydrophobicContact CG1-CE 4.34Å; I43-M458 HydrophobicContact CG1-SD 4.13Å; E46-M458 HydrophobicContact CB-CG 4.43Å; E46-M458 HydrophobicContact CB-SD 4.12Å; E46-M458 HydrophobicContact CG-CG 4.06Å; E46-M458 HydrophobicContact CG-SD 4.26Å; F281-M458 HydrophobicContact CD2-CE 3.71Å; F281-M458 HydrophobicContact CE2-CE 4.45Å; S456-M458 PolarHBondContact O-N 2.78Å; M458-T460 PolarHBondContact O-N 3.4Å; M458-A461 WeakPolarHBondContact O-CB 3.41Å; M458-A461 PolarHBondContact O-N 3.47Å; M458-A461 VanDerWaalsContact O-N 3.08Å; M458-I462 HydrophobicContact CG-CG1 4.43Å; M458-I462 WeakPolarHBondContact O-CG1 3.39Å; M458-I462 PolarHBondContact O-N 2.88Å; M458-I462 HydrophobicContact SD-CD1 4.45Å; M458-I462 HydrophobicContact SD-CG1 4.23Å
459D97.7Very high97.4Very high66 Ų6649.8 Ų49.835%0.35325%0.251SS..Hα-helixtrans-61.9-35.8178.7-65.6-47.9000111.7R50 M455 S456 F463R50-D459 IonicContact NH2-OD1 3.76Å; M455-D459 HydrophobicContact CE-CB 3.85Å; S456-D459 WeakPolarHBondContact CB-OD2 3.32Å; S456-D459 PolarHBondContact O-N 3.46Å; S456-D459 WeakPolarHBondContact OG-CB 3.36Å; S456-D459 PolarHBondContact OG-N 2.93Å; S456-D459 PolarHBondContact OG-OD2 2.93Å; D459-F463 WeakPolarHBondContact O-CB 3.31Å; D459-F463 PolarHBondContact O-N 2.97Å
460T98.2Very high97.3Very high29 Ų2952 Ų5218%0.17825%0.253CS..Hα-helixtrans-62.4-47.3173.8-56.10000111V276 I278 S456 M458 I462 F463 W464V276-T460 HydrophobicContact CG1-CG2 3.57Å; I278-T460 HydrophobicContact CG2-CG2 4.32Å; S456-T460 WeakPolarHBondContact O-CB 3.26Å; S456-T460 PolarHBondContact O-N 3.29Å; S456-T460 PolarHBondContact O-OG1 2.85Å; M458-T460 PolarHBondContact O-N 3.4Å; T460-I462 PolarHBondContact O-N 3.28Å; T460-F463 PolarHBondContact O-N 3.25Å; T460-W464 PolarHBondContact O-N 3.38Å; T460-W464 VanDerWaalsContact O-N 3.16Å
461A98.4Very high97.3Very high0 Ų055.9 Ų55.90%027%0.274CS..Hα-helixtrans-58.7-49.4177.800000111.6L258 I278 A457 M458 W464 I465L258-A461 HydrophobicContact CD1-CB 4.11Å; L258-A461 HydrophobicContact CD2-CB 4.5Å; I278-A461 HydrophobicContact CD1-CB 4.16Å; I278-A461 HydrophobicContact CG2-CB 4.03Å; A457-A461 WeakPolarHBondContact O-CB 3.42Å; A457-A461 PolarHBondContact O-N 3.42Å; M458-A461 WeakPolarHBondContact O-CB 3.41Å; M458-A461 PolarHBondContact O-N 3.47Å; M458-A461 VanDerWaalsContact O-N 3.08Å; A461-W464 PolarHBondContact O-N 3.41Å; A461-I465 WeakPolarHBondContact O-CG1 3.4Å; A461-I465 PolarHBondContact O-N 3.44Å
462I98.3Very high97.3Very high0 Ų059.3 Ų59.30%029%0.292CS..Hα-helixtrans-64.7-43.8-179.4-60.7-64.9000111.3I43 E46 L47 M458 T460 W464 I465 E466I43-I462 HydrophobicContact CG2-CD1 4.21Å; E46-I462 HydrophobicContact CB-CD1 3.95Å; E46-I462 HydrophobicContact CB-CG1 4.35Å; E46-I462 HydrophobicContact CG-CD1 3.68Å; E46-I462 HydrophobicContact CG-CG1 3.58Å; L47-I462 HydrophobicContact CD2-CD1 3.63Å; L47-I462 HydrophobicContact CD2-CG2 4.46Å; L47-I462 HydrophobicContact CG-CD1 3.66Å; M458-I462 HydrophobicContact CG-CG1 4.43Å; M458-I462 WeakPolarHBondContact O-CG1 3.39Å; M458-I462 PolarHBondContact O-N 2.88Å; M458-I462 HydrophobicContact SD-CD1 4.45Å; M458-I462 HydrophobicContact SD-CG1 4.23Å; T460-I462 PolarHBondContact O-N 3.28Å; I462-W464 VanDerWaalsContact C-N 3.25Å; I462-W464 PolarHBondContact O-N 3.45Å; I462-I465 PolarHBondContact O-N 3.08Å; I462-E466 HydrophobicContact CG2-CG 4.12Å; I462-E466 WeakPolarHBondContact CG2-OE1 3.38Å; I462-E466 WeakPolarHBondContact O-CB 3.44Å; I462-E466 WeakPolarHBondContact O-CG 3.43Å; I462-E466 PolarHBondContact O-N 3.22Å
463F98.4Very high97.3Very high87 Ų8753.8 Ų53.838%0.38227%0.265SS..Hα-helixtrans-53.1-46.3176.7170-94000111.5M455 D459 T460 Y467 R470M455-F463 HydrophobicContact CE-CB 4.36Å; D459-F463 WeakPolarHBondContact O-CB 3.31Å; D459-F463 PolarHBondContact O-N 2.97Å; T460-F463 PolarHBondContact O-N 3.25Å; F463-Y467 HydrophobicContact CE1-CD2 4.44Å; F463-Y467 HydrophobicContact CZ-CD2 4.26Å; F463-Y467 VanDerWaalsContact O-CB 3.25Å; F463-Y467 WeakPolarHBondContact O-CB 3.36Å; F463-Y467 PolarHBondContact O-N 3.17Å; F463-R470 PolarHBondContact O-NH2 3.43Å
464W98.6Very high97.4Very high53 Ų5350.3 Ų50.320%0.20125%0.252CS..Hα-helixtrans-75.2-34.4-177.8-80.3109000113.6I256 L258 V276 T460 A461 I462 Y467 V468 L477I256-W464 HydrophobicContact CD1-CD2 4.16Å; I256-W464 HydrophobicContact CD1-CE3 3.45Å; I256-W464 VanDerWaalsContact CD1-CE3 3.45Å; I256-W464 HydrophobicContact CD1-CZ3 3.71Å; I256-W464 HydrophobicContact CG1-CE3 3.98Å; I256-W464 HydrophobicContact CG2-CB 4.2Å; L258-W464 HydrophobicContact CD2-CB 3.98Å; V276-W464 HydrophobicContact CB-CG 4.46Å; V276-W464 HydrophobicContact CG1-CG 4.13Å; V276-W464 HydrophobicContact CG2-CD2 3.77Å; V276-W464 HydrophobicContact CG2-CG 3.75Å; V276-W464 HydrophobicContact CG2-CZ2 4.26Å; T460-W464 PolarHBondContact O-N 3.38Å; T460-W464 VanDerWaalsContact O-N 3.16Å; A461-W464 PolarHBondContact O-N 3.41Å; I462-W464 VanDerWaalsContact C-N 3.25Å; I462-W464 PolarHBondContact O-N 3.45Å; W464-Y467 AromaticContact CE3-CD1 3.9Å; W464-Y467 HydrophobicContact CE3-CD1 3.9Å; W464-Y467 HydrophobicContact CE3-CG 4Å; W464-Y467 AromaticContact CZ3-CD1 3.79Å; W464-Y467 HydrophobicContact CZ3-CD1 3.79Å; W464-Y467 AromaticContact CZ3-CE1 3.97Å; W464-Y467 HydrophobicContact CZ3-CE1 3.97Å; W464-Y467 HydrophobicContact CZ3-CG 4.08Å; W464-Y467 WeakPolarHBondContact O-CB 3.38Å; W464-Y467 PolarHBondContact O-N 3.23Å; W464-V468 WeakPolarHBondContact O-CG2 3.26Å; W464-V468 PolarHBondContact O-N 3.21Å; W464-V468 VanDerWaalsContact O-N 3.08Å; W464-L477 HydrophobicContact CH2-CD1 3.71Å; W464-L477 HydrophobicContact CZ3-CD1 3.44Å; W464-L477 VanDerWaalsContact CZ3-CD1 3.44Å
465I98.7Very high97.3Very high0 Ų046.9 Ų46.90%024%0.235CC..Hα-helixtrans-60.2-52.2170.8-71.7165.4000109.8I27 I43 L47 L150 L152 V172 L258 A461 I462 Y467 V468 I469I27-I465 HydrophobicContact CD1-CG2 4.4Å; I43-I465 HydrophobicContact CG2-CD1 3.64Å; L47-I465 HydrophobicContact CD1-CD1 4.21Å; L47-I465 HydrophobicContact CD1-CG2 4.35Å; L47-I465 HydrophobicContact CD2-CB 4.49Å; L47-I465 HydrophobicContact CD2-CG2 3.81Å; L150-I465 HydrophobicContact CD2-CG2 3.68Å; L152-I465 HydrophobicContact CD1-CD1 4.22Å; L152-I465 HydrophobicContact CD1-CG1 4.49Å; L152-I465 HydrophobicContact CD2-CD1 4.32Å; V172-I465 HydrophobicContact CG1-CG1 3.92Å; L258-I465 HydrophobicContact CD1-CD1 3.77Å; L258-I465 HydrophobicContact CD1-CG1 3.81Å; A461-I465 WeakPolarHBondContact O-CG1 3.4Å; A461-I465 PolarHBondContact O-N 3.44Å; I462-I465 PolarHBondContact O-N 3.08Å; I465-Y467 PolarHBondContact O-N 3.01Å; I465-V468 PolarHBondContact O-N 3.42Å; I465-I469 HydrophobicContact CG2-CD1 4.08Å; I465-I469 WeakPolarHBondContact O-CG1 3.38Å; I465-I469 PolarHBondContact O-N 3.06Å; I465-I469 VanDerWaalsContact O-N 3.14Å
466E98.3Very high97.3Very high36 Ų3648.6 Ų48.617%0.16824%0.242CC..Hα-helixtrans-67.5-27.5178.1-63.1174.8178.300111.9R50 H52 I462 I469 R470R50-E466 IonicContact NH1-OE1 2.74Å; H52-E466 IonicContact NE2-OE1 2.66Å; I462-E466 HydrophobicContact CG2-CG 4.12Å; I462-E466 WeakPolarHBondContact CG2-OE1 3.38Å; I462-E466 WeakPolarHBondContact O-CB 3.44Å; I462-E466 WeakPolarHBondContact O-CG 3.43Å; I462-E466 PolarHBondContact O-N 3.22Å; E466-I469 PolarHBondContact O-N 3.25Å; E466-R470 WeakPolarHBondContact O-CB 3.41Å; E466-R470 VanDerWaalsContact O-CG 3.23Å; E466-R470 WeakPolarHBondContact O-CG 3.45Å; E466-R470 PolarHBondContact O-N 3.07Å; E466-R470 PolarHBondContact O-NE 2.94Å; E466-R470 IonicContact OE2-NH1 2.76Å; E466-R470 PolarHBondContact OE2-NH1 2.95Å
467Y98.3Very high97.3Very high48 Ų4847.5 Ų47.519%0.18823%0.232CC..Hα-helixtrans-61.8-47.1174-179.2-87.9000110.8F463 W464 I465 I469 R470 N471 A474 H476 L477F463-Y467 HydrophobicContact CE1-CD2 4.44Å; F463-Y467 HydrophobicContact CZ-CD2 4.26Å; F463-Y467 VanDerWaalsContact O-CB 3.25Å; F463-Y467 WeakPolarHBondContact O-CB 3.36Å; F463-Y467 PolarHBondContact O-N 3.17Å; W464-Y467 AromaticContact CE3-CD1 3.9Å; W464-Y467 HydrophobicContact CE3-CD1 3.9Å; W464-Y467 HydrophobicContact CE3-CG 4Å; W464-Y467 AromaticContact CZ3-CD1 3.79Å; W464-Y467 HydrophobicContact CZ3-CD1 3.79Å; W464-Y467 AromaticContact CZ3-CE1 3.97Å; W464-Y467 HydrophobicContact CZ3-CE1 3.97Å; W464-Y467 HydrophobicContact CZ3-CG 4.08Å; W464-Y467 WeakPolarHBondContact O-CB 3.38Å; W464-Y467 PolarHBondContact O-N 3.23Å; I465-Y467 PolarHBondContact O-N 3.01Å; Y467-I469 VanDerWaalsContact C-N 3.31Å; Y467-I469 PolarHBondContact O-N 2.98Å; Y467-R470 VanDerWaalsContact CA-NH2 3.33Å; Y467-R470 VanDerWaalsContact N-NH2 3.2Å; Y467-R470 PolarHBondContact O-N 2.89Å; Y467-N471 WeakPolarHBondContact CD2-ND2 3.16Å; Y467-N471 WeakPolarHBondContact CE2-ND2 3.34Å; Y467-N471 WeakPolarHBondContact O-CB 3.49Å; Y467-N471 PolarHBondContact O-N 2.85Å; Y467-N471 PolarHBondContact O-ND2 3.14Å; Y467-A474 HydrophobicContact CD1-CB 4.43Å; Y467-A474 HydrophobicContact CE1-CB 4.11Å; Y467-H476 AromaticContact CE1-CE1 3.97Å; Y467-H476 AromaticContact CZ-CE1 3.97Å; Y467-H476 AromaticContact CZ-NE2 3.84Å; Y467-H476 PolarHBondContact OH-CE1 2.9Å; Y467-H476 PolarHBondContact OH-NE2 3.41Å; Y467-L477 HydrophobicContact CE1-CD1 4.41Å
468V98.5Very high97Very high0 Ų052 Ų520%025%0.248CC..Hα-helixtrans-62.3-41.7176.8174.70000110.7L150 P170 V172 D255 I256 W464 I465 K472 G473 A474L150-V468 HydrophobicContact CD1-CG1 3.78Å; P170-V468 HydrophobicContact CB-CG1 3.52Å; V172-V468 HydrophobicContact CG2-CB 3.93Å; V172-V468 HydrophobicContact CG2-CG1 4.15Å; V172-V468 HydrophobicContact CG2-CG2 3.72Å; D255-V468 HydrophobicContact CB-CG1 4.02Å; D255-V468 HydrophobicContact CB-CG2 3.88Å; I256-V468 HydrophobicContact CB-CG2 4.23Å; I256-V468 HydrophobicContact CG1-CG2 3.52Å; W464-V468 WeakPolarHBondContact O-CG2 3.26Å; W464-V468 PolarHBondContact O-N 3.21Å; W464-V468 VanDerWaalsContact O-N 3.08Å; I465-V468 PolarHBondContact O-N 3.42Å; V468-K472 WeakPolarHBondContact O-CA 3.49Å; V468-K472 PolarHBondContact O-N 3.43Å; V468-G473 PolarHBondContact O-N 2.87Å; V468-A474 HydrophobicContact CG2-CB 4.3Å
469I97.8Very high96.7Very high22 Ų2253 Ų5311%0.11326%0.257CS..Hα-helixtrans-60.5-53.5175.8-70.1168000111.2S25 I27 L150 I465 E466 Y467 N471 K472S25-I469 WeakPolarHBondContact OG-CG2 3.37Å; I27-I469 HydrophobicContact CD1-CD1 4.02Å; I27-I469 HydrophobicContact CG1-CD1 4.23Å; L150-I469 HydrophobicContact CB-CG1 4Å; L150-I469 HydrophobicContact CD2-CD1 4.12Å; L150-I469 HydrophobicContact CD2-CG1 4.01Å; I465-I469 HydrophobicContact CG2-CD1 4.08Å; I465-I469 WeakPolarHBondContact O-CG1 3.38Å; I465-I469 PolarHBondContact O-N 3.06Å; I465-I469 VanDerWaalsContact O-N 3.14Å; E466-I469 PolarHBondContact O-N 3.25Å; Y467-I469 VanDerWaalsContact C-N 3.31Å; Y467-I469 PolarHBondContact O-N 2.98Å; I469-N471 VanDerWaalsContact C-N 3.26Å; I469-N471 PolarHBondContact O-N 3.45Å; I469-K472 PolarHBondContact O-N 3.33Å
470R96.9Very high96.2Very high127 Ų12754.6 Ų54.648%0.47927%0.27SS..Hα-helixtrans-60.6-35.7-177.3-74.5-177.4-60.9-101-2.8112.4F463 E466 Y467F463-R470 PolarHBondContact O-NH2 3.43Å; E466-R470 WeakPolarHBondContact O-CB 3.41Å; E466-R470 VanDerWaalsContact O-CG 3.23Å; E466-R470 WeakPolarHBondContact O-CG 3.45Å; E466-R470 PolarHBondContact O-N 3.07Å; E466-R470 PolarHBondContact O-NE 2.94Å; E466-R470 IonicContact OE2-NH1 2.76Å; E466-R470 PolarHBondContact OE2-NH1 2.95Å; Y467-R470 VanDerWaalsContact CA-NH2 3.33Å; Y467-R470 VanDerWaalsContact N-NH2 3.2Å; Y467-R470 PolarHBondContact O-N 2.89Å
471N97.1Very high95.6Very high85 Ų8554.2 Ų54.246%0.45527%0.269SS..Hα-helixtrans-100.51.5-175.2-63.4-73.9000113.8Y467 I469 G473Y467-N471 WeakPolarHBondContact CD2-ND2 3.16Å; Y467-N471 WeakPolarHBondContact CE2-ND2 3.34Å; Y467-N471 WeakPolarHBondContact O-CB 3.49Å; Y467-N471 PolarHBondContact O-N 2.85Å; Y467-N471 PolarHBondContact O-ND2 3.14Å; I469-N471 VanDerWaalsContact C-N 3.26Å; I469-N471 PolarHBondContact O-N 3.45Å; N471-G473 VanDerWaalsContact C-N 3.28Å; N471-G473 WeakPolarHBondContact CB-O 3.43Å; N471-G473 PolarHBondContact O-N 3.5Å
472K95.7Very high94.8Very high184 Ų18457.3 Ų57.380%0.828%0.283SS*.THydrogen-bonded Turntrans54.443.5-177.1-54.6-179.5179.7-179.60112.5V468 I469V468-K472 WeakPolarHBondContact O-CA 3.49Å; V468-K472 PolarHBondContact O-N 3.43Å; I469-K472 PolarHBondContact O-N 3.33Å
473G96.6Very high94.1Very high11 Ų1161.6 Ų61.611%0.11331%0.312CS..  trans121.5178.8-173.600000113.4D255 V468 N471D255-G473 VanDerWaalsContact OD1-CA 3.27Å; D255-G473 WeakPolarHBondContact OD1-CA 3.38Å; V468-G473 PolarHBondContact O-N 2.87Å; N471-G473 VanDerWaalsContact C-N 3.28Å; N471-G473 WeakPolarHBondContact CB-O 3.43Å; N471-G473 PolarHBondContact O-N 3.5Å
474A97.1Very high93.7Very high0 Ų061.2 Ų61.20%031%0.314CS..  trans-142.938.2178.400000112.4D255 I256 Y467 V468 H476 L477D255-A474 HydrophobicContact CB-CB 3.94Å; D255-A474 PolarHBondContact OD1-N 3.24Å; I256-A474 HydrophobicContact CD1-CB 4.4Å; I256-A474 HydrophobicContact CG1-CB 4.43Å; Y467-A474 HydrophobicContact CD1-CB 4.43Å; Y467-A474 HydrophobicContact CE1-CB 4.11Å; V468-A474 HydrophobicContact CG2-CB 4.3Å; A474-H476 PolarHBondContact O-N 2.8Å; A474-L477 HydrophobicContact CB-CD1 4.12Å; A474-L477 HydrophobicContact CB-CG 4.48Å; A474-L477 WeakPolarHBondContact O-CB 3.48Å; A474-L477 PolarHBondContact O-N 3.41Å
475A93.3Very high93.2Very high68 Ų6861.4 Ų61.456%0.56232%0.322SS*.G310 helixtrans-54-30.4-174.700000114.8L477 R478A475-L477 PolarHBondContact O-N 2.82Å; A475-R478 WeakPolarHBondContact O-CB 3.38Å; A475-R478 PolarHBondContact O-N 2.73Å; A475-R478 VanDerWaalsContact O-N 3.13Å
476H94.8Very high92.8Very high125 Ų12569.8 Ų69.858%0.57935%0.354SS*.G310 helixtrans-68.2-13.7177.560.1-85.3000114.2Y467 A474Y467-H476 AromaticContact CE1-CE1 3.97Å; Y467-H476 AromaticContact CZ-CE1 3.97Å; Y467-H476 AromaticContact CZ-NE2 3.84Å; Y467-H476 PolarHBondContact OH-CE1 2.9Å; Y467-H476 PolarHBondContact OH-NE2 3.41Å; A474-H476 PolarHBondContact O-N 2.8Å
477L95.7Very high92.5Very high29 Ų2973 Ų7315%0.15237%0.365CS..G310 helixtrans-93.4-6.8174.7-58.9179.7000112.7I256 P273 N274 W464 Y467 A474 A475I256-L477 HydrophobicContact CD1-CD1 3.9Å; P273-L477 HydrophobicContact CB-CB 4.3Å; P273-L477 HydrophobicContact CB-CD2 4.12Å; N274-L477 HydrophobicContact CB-CB 3.78Å; W464-L477 HydrophobicContact CH2-CD1 3.71Å; W464-L477 HydrophobicContact CZ3-CD1 3.44Å; W464-L477 VanDerWaalsContact CZ3-CD1 3.44Å; Y467-L477 HydrophobicContact CE1-CD1 4.41Å; A474-L477 HydrophobicContact CB-CD1 4.12Å; A474-L477 HydrophobicContact CB-CG 4.48Å; A474-L477 WeakPolarHBondContact O-CB 3.48Å; A474-L477 PolarHBondContact O-N 3.41Å; A475-L477 PolarHBondContact O-N 2.82Å
478R91.9Very high92.3Very high100 Ų10072.2 Ų72.238%0.37737%0.366SS..SBendtrans-83.9130.9179.3-64174.560.7-159.3-6.9109.6A475A475-R478 WeakPolarHBondContact O-CB 3.38Å; A475-R478 PolarHBondContact O-N 2.73Å; A475-R478 VanDerWaalsContact O-N 3.13Å
479S89.9Confident92Very high43 Ų4377 Ų7730%0.30139%0.385SS..  trans-73138.2178.7-177.40000111.6A481 F482S479-A481 PolarHBondContact O-N 3.42Å; S479-A481 VanDerWaalsContact OG-CB 3.28Å; S479-A481 WeakPolarHBondContact OG-CB 3.29Å; S479-A481 PolarHBondContact OG-N 3.16Å; S479-F482 VanDerWaalsContact O-CD2 3.24Å; S479-F482 WeakPolarHBondContact O-CD2 3.34Å
480T87.5Confident91.7Very high100 Ų10082.3 Ų82.361%0.61341%0.408SS*.G310 helixtrans-62.6-19.1170.7-50.10000112.3F482 S483T480-F482 PolarHBondContact O-N 2.83Å; T480-F482 VanDerWaalsContact O-N 3.08Å; T480-S483 WeakPolarHBondContact CG2-OG 3.26Å; T480-S483 PolarHBondContact O-N 3.24Å; T480-S483 PolarHBondContact O-OG 3.17Å
481A86.4Confident91.7Very high20 Ų2079.6 Ų79.617%0.16541%0.408CS..G310 helixtrans-49.3-37.5179.500000113.5S479 S483 L484 Y489S479-A481 PolarHBondContact O-N 3.42Å; S479-A481 VanDerWaalsContact OG-CB 3.28Å; S479-A481 WeakPolarHBondContact OG-CB 3.29Å; S479-A481 PolarHBondContact OG-N 3.16Å; A481-S483 PolarHBondContact O-N 3.14Å; A481-L484 PolarHBondContact O-N 3.44Å; A481-Y489 HydrophobicContact CB-CD2 4.09Å; A481-Y489 HydrophobicContact CB-CE2 3.9Å
482F81.5Confident91.7Very high66 Ų6679 Ų7929%0.28940%0.404SS..G310 helixtrans-75-10.2-179.2-47.2-59.3000114.4I187 L252 M272 S479 T480I187-F482 HydrophobicContact CG1-CE1 4.45Å; I187-F482 HydrophobicContact CG1-CE2 4.24Å; I187-F482 HydrophobicContact CG1-CZ 3.71Å; I187-F482 VanDerWaalsContact O-CE1 3.29Å; I187-F482 WeakPolarHBondContact O-CE1 3.49Å; I187-F482 WeakPolarHBondContact O-CZ 3.37Å; L252-F482 HydrophobicContact CD1-CB 4.16Å; L252-F482 HydrophobicContact CD1-CD1 3.85Å; L252-F482 HydrophobicContact CD1-CG 4.11Å; L252-F482 HydrophobicContact CD2-CD1 3.93Å; L252-F482 HydrophobicContact CD2-CE1 3.93Å; L252-F482 HydrophobicContact CD2-CG 4.32Å; L252-F482 HydrophobicContact CD2-CZ 4.32Å; L252-F482 HydrophobicContact CG-CD1 4.48Å; M272-F482 HydrophobicContact CE-CE1 4.41Å; M272-F482 HydrophobicContact CE-CZ 3.86Å; M272-F482 HydrophobicContact CG-CZ 4.43Å; S479-F482 VanDerWaalsContact O-CD2 3.24Å; S479-F482 WeakPolarHBondContact O-CD2 3.34Å; T480-F482 PolarHBondContact O-N 2.83Å; T480-F482 VanDerWaalsContact O-N 3.08Å
483S83.7Confident91.7Very high89 Ų8973.4 Ų73.462%0.62238%0.383SS*.G310 helixtrans-98.9-7.7176.667.90000112.8T480 A481T480-S483 WeakPolarHBondContact CG2-OG 3.26Å; T480-S483 PolarHBondContact O-N 3.24Å; T480-S483 PolarHBondContact O-OG 3.17Å; A481-S483 PolarHBondContact O-N 3.14Å
484L88.9Confident91.8Very high80 Ų8076.5 Ų76.542%0.41940%0.399SS..SBendtrans-83141.9-179.5-66.3177.1000111.1A481A481-L484 PolarHBondContact O-N 3.44Å
485P89.8Confident91.8Very high56 Ų5678.5 Ų78.536%0.36442%0.416SS..  trans-57.4146.1162.6-20.932.4000110.9Y487 S488 Y489P485-Y487 HydrophobicContact CB-CD1 3.88Å; P485-Y487 HydrophobicContact CB-CD2 4.33Å; P485-Y487 HydrophobicContact CB-CE1 3.36Å; P485-Y487 HydrophobicContact CB-CE2 3.86Å; P485-Y487 HydrophobicContact CB-CG 4.34Å; P485-Y487 HydrophobicContact CG-CE1 4.27Å; P485-Y487 HydrophobicContact CG-CE2 4.26Å; P485-Y487 PolarHBondContact O-N 3.29Å; P485-Y487 VanDerWaalsContact O-N 3.11Å; P485-S488 PolarHBondContact O-N 3.38Å; P485-Y489 PolarHBondContact O-N 3.31Å
486W88.6Confident92Very high177 Ų17780 Ų8067%0.6742%0.418SS*.Hα-helixtrans-53.7-37.3-176.867.9-92.8000113.1Y489 F490 L492W486-Y489 PolarHBondContact O-N 3.08Å; W486-F490 WeakPolarHBondContact O-CD2 3.44Å; W486-F490 PolarHBondContact O-N 3.41Å; W486-L492 HydrophobicContact CE3-CD1 3.95Å; W486-L492 HydrophobicContact CH2-CD1 4.09Å; W486-L492 HydrophobicContact CZ3-CD1 3.29Å
487Y93.2Very high92.2Very high103 Ų10380.2 Ų80.240%0.40442%0.417SS..Hα-helixtrans-69.8-36.518054.6-98.5000112.6P485 F490 C491 L492 D493P485-Y487 HydrophobicContact CB-CD1 3.88Å; P485-Y487 HydrophobicContact CB-CD2 4.33Å; P485-Y487 HydrophobicContact CB-CE1 3.36Å; P485-Y487 HydrophobicContact CB-CE2 3.86Å; P485-Y487 HydrophobicContact CB-CG 4.34Å; P485-Y487 HydrophobicContact CG-CE1 4.27Å; P485-Y487 HydrophobicContact CG-CE2 4.26Å; P485-Y487 PolarHBondContact O-N 3.29Å; P485-Y487 VanDerWaalsContact O-N 3.11Å; Y487-F490 CarbonylContact O-C 3.59Å; Y487-C491 PolarHBondContact O-N 2.9Å; Y487-C491 VanDerWaalsContact O-N 3.1Å; Y487-L492 PolarHBondContact O-N 2.85Å; Y487-D493 HydrophobicContact CD2-CB 4.41Å
488S94.3Very high92.3Very high31 Ų3183.5 Ų83.522%0.21744%0.435CS..Hα-helixtrans-75.3-34.9176.2-61.20000111.3P485 F490 C491 D493P485-S488 PolarHBondContact O-N 3.38Å; S488-F490 VanDerWaalsContact C-N 3.27Å; S488-F490 PolarHBondContact O-N 2.77Å; S488-C491 PolarHBondContact O-N 3.41Å; S488-D493 PolarHBondContact OG-OD2 3.17Å
489Y91.1Very high92.6Very high102 Ų10284.8 Ų84.840%0.445%0.448SS..Hα-helixtrans-56.2-42.7171.9176.5-94.9000111.8A481 P485 W486 C491A481-Y489 HydrophobicContact CB-CD2 4.09Å; A481-Y489 HydrophobicContact CB-CE2 3.9Å; P485-Y489 PolarHBondContact O-N 3.31Å; W486-Y489 PolarHBondContact O-N 3.08Å; Y489-C491 VanDerWaalsContact C-N 3.34Å
490F92.3Very high93Very high132 Ų13285.3 Ų85.358%0.57946%0.455SS*.THydrogen-bonded Turntrans-88.56.3176.1-67.9-65.3000114.3W486 Y487 S488 L492W486-F490 WeakPolarHBondContact O-CD2 3.44Å; W486-F490 PolarHBondContact O-N 3.41Å; Y487-F490 CarbonylContact O-C 3.59Å; S488-F490 VanDerWaalsContact C-N 3.27Å; S488-F490 PolarHBondContact O-N 2.77Å; F490-L492 HydrophobicContact CB-CD1 4.24Å; F490-L492 HydrophobicContact CB-CD2 4.18Å; F490-L492 HydrophobicContact CB-CG 3.8Å; F490-L492 PolarHBondContact O-N 3.18Å; F490-L492 VanDerWaalsContact O-N 3.16Å
491C96.3Very high93.5Very high71 Ų7184.3 Ų84.348%0.4845%0.445SS..THydrogen-bonded Turntrans5232.6-177-63.90000114Y487 S488 Y489 D493 V494 A495Y487-C491 PolarHBondContact O-N 2.9Å; Y487-C491 VanDerWaalsContact O-N 3.1Å; S488-C491 PolarHBondContact O-N 3.41Å; Y489-C491 VanDerWaalsContact C-N 3.34Å; C491-D493 VanDerWaalsContact C-N 3.34Å; C491-V494 HydrophobicContact CB-CB 4.35Å; C491-V494 HydrophobicContact CB-CG2 4.47Å; C491-V494 PolarHBondContact O-N 3.16Å; C491-A495 PolarHBondContact O-N 3.48Å
492L96.9Very high94Very high72 Ų7287 Ų8738%0.37746%0.46SS..Hα-helixtrans-70.6-33.7-178.5-60.7179.1000111.8W486 Y487 F490 A495 V496W486-L492 HydrophobicContact CE3-CD1 3.95Å; W486-L492 HydrophobicContact CH2-CD1 4.09Å; W486-L492 HydrophobicContact CZ3-CD1 3.29Å; Y487-L492 PolarHBondContact O-N 2.85Å; F490-L492 HydrophobicContact CB-CD1 4.24Å; F490-L492 HydrophobicContact CB-CD2 4.18Å; F490-L492 HydrophobicContact CB-CG 3.8Å; F490-L492 PolarHBondContact O-N 3.18Å; F490-L492 VanDerWaalsContact O-N 3.16Å; L492-A495 PolarHBondContact O-N 3.5Å; L492-V496 WeakPolarHBondContact O-CB 3.38Å; L492-V496 VanDerWaalsContact O-CG2 3.26Å; L492-V496 WeakPolarHBondContact O-CG2 3.49Å; L492-V496 PolarHBondContact O-N 3.22Å
493D96.9Very high94.7Very high67 Ų6785.8 Ų85.836%0.35847%0.465SS..Hα-helixtrans-57.9-46.9170.547.26.1000111.7Y487 S488 C491 V496 F497Y487-D493 HydrophobicContact CD2-CB 4.41Å; S488-D493 PolarHBondContact OG-OD2 3.17Å; C491-D493 VanDerWaalsContact C-N 3.34Å; D493-V496 PolarHBondContact O-N 3.41Å; D493-F497 WeakPolarHBondContact O-CB 3.49Å; D493-F497 PolarHBondContact O-N 3.4Å
494V97.8Very high95.4Very high75 Ų7586 Ų8646%0.45546%0.464SS..Hα-helixtrans-64.3-44.5174.9-1790000111.1C491 V496 F497 L498C491-V494 HydrophobicContact CB-CB 4.35Å; C491-V494 HydrophobicContact CB-CG2 4.47Å; C491-V494 PolarHBondContact O-N 3.16Å; V494-V496 PolarHBondContact O-N 2.91Å; V494-F497 PolarHBondContact O-N 3.2Å; V494-L498 HydrophobicContact CG1-CD1 4.11Å; V494-L498 HydrophobicContact CG1-CG 4.39Å; V494-L498 WeakPolarHBondContact O-CG 3.28Å; V494-L498 PolarHBondContact O-N 3.15Å
495A97.9Very high95.7Very high42 Ų4285.9 Ų85.935%0.34747%0.469SS..Hα-helixtrans-60-45.8178.700000111.7C491 L492 F497 L498 L499C491-A495 PolarHBondContact O-N 3.48Å; L492-A495 PolarHBondContact O-N 3.5Å; A495-F497 VanDerWaalsContact C-N 3.35Å; A495-F497 PolarHBondContact O-N 3.44Å; A495-L498 PolarHBondContact O-N 3.08Å; A495-L499 WeakPolarHBondContact O-CB 3.28Å; A495-L499 VanDerWaalsContact O-CG 3.26Å; A495-L499 WeakPolarHBondContact O-CG 3.27Å; A495-L499 PolarHBondContact O-N 3.47Å
496V97.7Very high96Very high99 Ų9987.8 Ų87.860%0.648%0.475SS*.Hα-helixtrans-61.1-43.1176.1169.60000111.1L492 D493 V494 L499 A500L492-V496 WeakPolarHBondContact O-CB 3.38Å; L492-V496 VanDerWaalsContact O-CG2 3.26Å; L492-V496 WeakPolarHBondContact O-CG2 3.49Å; L492-V496 PolarHBondContact O-N 3.22Å; D493-V496 PolarHBondContact O-N 3.41Å; V494-V496 PolarHBondContact O-N 2.91Å; V496-L499 PolarHBondContact O-N 3.2Å; V496-A500 WeakPolarHBondContact O-CB 3.31Å; V496-A500 PolarHBondContact O-N 3.01Å
497F97.9Very high96.4Very high131 Ų13187.4 Ų87.458%0.57547%0.474SS*.Hα-helixtrans-61.3-46.1177.5177.8-107.4000112.7D493 V494 A495 A500 I501D493-F497 WeakPolarHBondContact O-CB 3.49Å; D493-F497 PolarHBondContact O-N 3.4Å; V494-F497 PolarHBondContact O-N 3.2Å; A495-F497 VanDerWaalsContact C-N 3.35Å; A495-F497 PolarHBondContact O-N 3.44Å; F497-A500 PolarHBondContact O-N 2.99Å; F497-I501 HydrophobicContact CD1-CD1 3.92Å; F497-I501 HydrophobicContact CD2-CD1 4.45Å; F497-I501 HydrophobicContact CE1-CD1 3.36Å; F497-I501 HydrophobicContact CE2-CD1 3.96Å; F497-I501 HydrophobicContact CE2-CG1 4.48Å; F497-I501 HydrophobicContact CG-CD1 4.45Å; F497-I501 HydrophobicContact CZ-CD1 3.4Å; F497-I501 VanDerWaalsContact CZ-CD1 3.4Å; F497-I501 HydrophobicContact CZ-CG1 4.37Å; F497-I501 PolarHBondContact O-N 2.86Å
498L98.1Very high96.6Very high98 Ų9883.7 Ų83.751%0.51347%0.467SS..Hα-helixtrans-65.7-39.7178.2-68.4176.3000112.4V494 A495 A500 I501 T502V494-L498 HydrophobicContact CG1-CD1 4.11Å; V494-L498 HydrophobicContact CG1-CG 4.39Å; V494-L498 WeakPolarHBondContact O-CG 3.28Å; V494-L498 PolarHBondContact O-N 3.15Å; A495-L498 PolarHBondContact O-N 3.08Å; L498-A500 VanDerWaalsContact C-N 3.34Å; L498-I501 PolarHBondContact O-N 3.48Å; L498-T502 WeakPolarHBondContact O-CB 3.38Å; L498-T502 PolarHBondContact O-N 2.86Å; L498-T502 PolarHBondContact O-OG1 2.97Å
499L97.8Very high96.6Very high126 Ų12689.1 Ų89.166%0.6649%0.487SS*.Hα-helixtrans-63.7-40.7174.9-73.5172000111.5A495 V496 T502 G503A495-L499 WeakPolarHBondContact O-CB 3.28Å; A495-L499 VanDerWaalsContact O-CG 3.26Å; A495-L499 WeakPolarHBondContact O-CG 3.27Å; A495-L499 PolarHBondContact O-N 3.47Å; V496-L499 PolarHBondContact O-N 3.2Å; L499-T502 PolarHBondContact O-N 2.88Å; L499-G503 PolarHBondContact O-N 2.88Å
500A97.9Very high96.8Very high55 Ų5587.7 Ų87.746%0.45549%0.485SS..Hα-helixtrans-62.2-49.417600000111.6V496 F497 L498 T502 G503 T504V496-A500 WeakPolarHBondContact O-CB 3.31Å; V496-A500 PolarHBondContact O-N 3.01Å; F497-A500 PolarHBondContact O-N 2.99Å; L498-A500 VanDerWaalsContact C-N 3.34Å; A500-T502 VanDerWaalsContact C-N 3.34Å; A500-T502 PolarHBondContact O-N 3.3Å; A500-G503 PolarHBondContact O-N 3.39Å; A500-T504 WeakPolarHBondContact O-CB 3.28Å; A500-T504 PolarHBondContact O-N 3.32Å; A500-T504 PolarHBondContact O-OG1 2.83Å
501I98.1Very high96.8Very high79 Ų7986.3 Ų86.341%0.40548%0.479SS..Hα-helixtrans-58.1-46.8177.4-71.3173.3000111.4F497 L498 T504 S505F497-I501 HydrophobicContact CD1-CD1 3.92Å; F497-I501 HydrophobicContact CD2-CD1 4.45Å; F497-I501 HydrophobicContact CE1-CD1 3.36Å; F497-I501 HydrophobicContact CE2-CD1 3.96Å; F497-I501 HydrophobicContact CE2-CG1 4.48Å; F497-I501 HydrophobicContact CG-CD1 4.45Å; F497-I501 HydrophobicContact CZ-CD1 3.4Å; F497-I501 VanDerWaalsContact CZ-CD1 3.4Å; F497-I501 HydrophobicContact CZ-CG1 4.37Å; F497-I501 PolarHBondContact O-N 2.86Å; L498-I501 PolarHBondContact O-N 3.48Å; I501-T504 PolarHBondContact O-N 2.83Å; I501-S505 WeakPolarHBondContact O-CB 3.3Å; I501-S505 PolarHBondContact O-N 3.47Å; I501-S505 PolarHBondContact O-OG 2.89Å
502T97.3Very high96.7Very high77 Ų7786.4 Ų86.447%0.47248%0.478SS..Hα-helixtrans-64.2-45.4-179.4-55.10000110.5L498 L499 A500 S505 I506L498-T502 WeakPolarHBondContact O-CB 3.38Å; L498-T502 PolarHBondContact O-N 2.86Å; L498-T502 PolarHBondContact O-OG1 2.97Å; L499-T502 PolarHBondContact O-N 2.88Å; A500-T502 VanDerWaalsContact C-N 3.34Å; A500-T502 PolarHBondContact O-N 3.3Å; T502-S505 PolarHBondContact O-N 2.84Å; T502-I506 HydrophobicContact CG2-CD1 3.93Å; T502-I506 WeakPolarHBondContact O-CG1 3.32Å; T502-I506 PolarHBondContact O-N 3.37Å
503G97.3Very high96.4Very high39 Ų3985.1 Ų85.140%0.40247%0.474SS..Hα-helixtrans-60.1-47176.600000112.7L499 A500 S505 I506 W507L499-G503 PolarHBondContact O-N 2.88Å; A500-G503 PolarHBondContact O-N 3.39Å; G503-S505 VanDerWaalsContact C-N 3.33Å; G503-S505 PolarHBondContact O-N 3.35Å; G503-I506 PolarHBondContact O-N 2.88Å; G503-W507 VanDerWaalsContact O-CB 3.28Å; G503-W507 WeakPolarHBondContact O-CB 3.41Å; G503-W507 PolarHBondContact O-N 3.42Å
504T96.8Very high96Very high95 Ų9590.2 Ų90.258%0.58349%0.488SS*.Hα-helixtrans-63.5-38.3176.4-560000111.8A500 I501 W507 G508A500-T504 WeakPolarHBondContact O-CB 3.28Å; A500-T504 PolarHBondContact O-N 3.32Å; A500-T504 PolarHBondContact O-OG1 2.83Å; I501-T504 PolarHBondContact O-N 2.83Å; T504-W507 PolarHBondContact O-N 3.41Å; T504-G508 PolarHBondContact O-N 3.27Å
505S96.3Very high95.4Very high76 Ų7691 Ų9153%0.53149%0.489SS..Hα-helixtrans-66.6-45.4177.7-59.20000112I501 T502 G503 G508 F509I501-S505 WeakPolarHBondContact O-CB 3.3Å; I501-S505 PolarHBondContact O-N 3.47Å; I501-S505 PolarHBondContact O-OG 2.89Å; T502-S505 PolarHBondContact O-N 2.84Å; G503-S505 VanDerWaalsContact C-N 3.33Å; G503-S505 PolarHBondContact O-N 3.35Å; S505-G508 PolarHBondContact O-N 3.3Å; S505-F509 WeakPolarHBondContact O-CB 3.46Å; S505-F509 PolarHBondContact O-N 3.35Å
506I96.9Very high94.8Very high96 Ų9693.8 Ų93.849%0.49250%0.498SS..Hα-helixtrans-62.4-46.4175.1-69.1168.7000110.2T502 G503 G508 F509 I510T502-I506 HydrophobicContact CG2-CD1 3.93Å; T502-I506 WeakPolarHBondContact O-CG1 3.32Å; T502-I506 PolarHBondContact O-N 3.37Å; G503-I506 PolarHBondContact O-N 2.88Å; I506-G508 PolarHBondContact O-N 2.84Å; I506-F509 PolarHBondContact O-N 3.27Å; I506-I510 HydrophobicContact CG2-CD1 3.72Å; I506-I510 HydrophobicContact CG2-CG1 4.39Å; I506-I510 VanDerWaalsContact O-CG1 3.28Å; I506-I510 WeakPolarHBondContact O-CG1 3.35Å; I506-I510 PolarHBondContact O-N 3.22Å
507W96.4Very high93.9Very high170 Ų17093.3 Ų93.364%0.64450%0.498SS*.Hα-helixtrans-60.8-45.4178-17984.3000111.7G503 T504 I510 F511G503-W507 VanDerWaalsContact O-CB 3.28Å; G503-W507 WeakPolarHBondContact O-CB 3.41Å; G503-W507 PolarHBondContact O-N 3.42Å; T504-W507 PolarHBondContact O-N 3.41Å; W507-I510 PolarHBondContact O-N 3.3Å; W507-F511 VanDerWaalsContact O-CB 3.27Å; W507-F511 WeakPolarHBondContact O-CB 3.44Å; W507-F511 PolarHBondContact O-N 3.35Å
508G96.1Very high92.4Very high25 Ų2591.2 Ų91.226%0.25850%0.498SS..Hα-helixtrans-60.9-43.9175.500000112.4T504 S505 I506 F511 V512T504-G508 PolarHBondContact O-N 3.27Å; S505-G508 PolarHBondContact O-N 3.3Å; I506-G508 PolarHBondContact O-N 2.84Å; G508-F511 PolarHBondContact O-N 2.78Å; G508-V512 WeakPolarHBondContact O-CB 3.36Å; G508-V512 VanDerWaalsContact O-CG2 3.31Å; G508-V512 WeakPolarHBondContact O-CG2 3.42Å; G508-V512 PolarHBondContact O-N 3.41Å
509F95.3Very high90.5Very high144 Ų14495.5 Ų95.563%0.63251%0.508SS*.Hα-helixtrans-61.1-48.7174.9179.3-99.8000111.9S505 I506 F511 V512 C513S505-F509 WeakPolarHBondContact O-CB 3.46Å; S505-F509 PolarHBondContact O-N 3.35Å; I506-F509 PolarHBondContact O-N 3.27Å; F509-F511 VanDerWaalsContact C-N 3.3Å; F509-F511 PolarHBondContact O-N 2.73Å; F509-V512 PolarHBondContact O-N 3.08Å; F509-C513 VanDerWaalsContact CZ-SG 3.54Å; F509-C513 WeakPolarHBondContact O-CB 2.97Å; F509-C513 PolarHBondContact O-N 2.85Å; F509-C513 PolarHBondContact O-SG 3.41Å; F509-C513 VanDerWaalsContact O-SG 3.35Å
510I94.6Very high88.5Confident73 Ų7397.5 Ų97.537%0.37451%0.511SS..Hα-helixtrans-59.5-43.2176.5-68.4168.5000110.5I506 W507 C513 R514I506-I510 HydrophobicContact CG2-CD1 3.72Å; I506-I510 HydrophobicContact CG2-CG1 4.39Å; I506-I510 VanDerWaalsContact O-CG1 3.28Å; I506-I510 WeakPolarHBondContact O-CG1 3.35Å; I506-I510 PolarHBondContact O-N 3.22Å; W507-I510 PolarHBondContact O-N 3.3Å; I510-C513 PolarHBondContact O-N 3.08Å; I510-R514 HydrophobicContact CG2-CG 4.43Å; I510-R514 WeakPolarHBondContact O-CB 3.32Å; I510-R514 VanDerWaalsContact O-CG 3.32Å; I510-R514 WeakPolarHBondContact O-CG 3.33Å; I510-R514 PolarHBondContact O-N 3.26Å
511F93.8Very high86.3Confident102 Ų10299.5 Ų99.545%0.44752%0.522SS..Hα-helixtrans-62.1-47.4178.4-178.7-103.4000111.7W507 G508 F509 R514 L515W507-F511 VanDerWaalsContact O-CB 3.27Å; W507-F511 WeakPolarHBondContact O-CB 3.44Å; W507-F511 PolarHBondContact O-N 3.35Å; G508-F511 PolarHBondContact O-N 2.78Å; F509-F511 VanDerWaalsContact C-N 3.3Å; F509-F511 PolarHBondContact O-N 2.73Å; F511-R514 PolarHBondContact O-N 2.95Å; F511-L515 HydrophobicContact CD1-CD1 3.85Å; F511-L515 HydrophobicContact CD1-CG 4.42Å; F511-L515 HydrophobicContact CE1-CD1 3.35Å; F511-L515 HydrophobicContact CE1-CG 4.12Å; F511-L515 HydrophobicContact CZ-CD1 3.79Å; F511-L515 HydrophobicContact CZ-CD2 4.39Å; F511-L515 HydrophobicContact CZ-CG 4.19Å; F511-L515 WeakPolarHBondContact O-CG 3.43Å; F511-L515 PolarHBondContact O-N 3.23Å
512V93.3Very high84.1Confident74 Ų74100.9 Ų100.945%0.44853%0.534SS..Hα-helixtrans-62.1-45.9175.4171.20000111.1G508 F509 R514 L515 L516G508-V512 WeakPolarHBondContact O-CB 3.36Å; G508-V512 VanDerWaalsContact O-CG2 3.31Å; G508-V512 WeakPolarHBondContact O-CG2 3.42Å; G508-V512 PolarHBondContact O-N 3.41Å; F509-V512 PolarHBondContact O-N 3.08Å; V512-R514 VanDerWaalsContact C-N 3.33Å; V512-R514 PolarHBondContact O-N 3.39Å; V512-L515 PolarHBondContact O-N 3.31Å; V512-L516 HydrophobicContact CG1-CD1 3.79Å; V512-L516 HydrophobicContact CG1-CG 4.25Å; V512-L516 WeakPolarHBondContact O-CB 3.45Å; V512-L516 VanDerWaalsContact O-CG 3.3Å; V512-L516 WeakPolarHBondContact O-CG 3.41Å; V512-L516 PolarHBondContact O-N 3.42Å
513C90.5Very high82Confident44 Ų44106.4 Ų106.430%0.29755%0.551SS.*Hα-helixtrans-58.3-43.4175-74.90000111.9F509 I510 L516 C517F509-C513 VanDerWaalsContact CZ-SG 3.54Å; F509-C513 WeakPolarHBondContact O-CB 2.97Å; F509-C513 PolarHBondContact O-N 2.85Å; F509-C513 PolarHBondContact O-SG 3.41Å; F509-C513 VanDerWaalsContact O-SG 3.35Å; I510-C513 PolarHBondContact O-N 3.08Å; C513-L516 PolarHBondContact O-N 2.99Å; C513-C517 VanDerWaalsContact O-CB 3.28Å; C513-C517 WeakPolarHBondContact O-CB 3.46Å; C513-C517 PolarHBondContact O-N 3.35Å; C513-C517 PolarHBondContact O-SG 2.94Å
514R88.6Confident79.7Confident174 Ų174114 Ų11466%0.65757%0.574SS**Hα-helixtrans-61.7-46.5174.6-76.9-180179.4-175.61111.5I510 F511 V512 L516 C517 C518I510-R514 HydrophobicContact CG2-CG 4.43Å; I510-R514 WeakPolarHBondContact O-CB 3.32Å; I510-R514 VanDerWaalsContact O-CG 3.32Å; I510-R514 WeakPolarHBondContact O-CG 3.33Å; I510-R514 PolarHBondContact O-N 3.26Å; F511-R514 PolarHBondContact O-N 2.95Å; V512-R514 VanDerWaalsContact C-N 3.33Å; V512-R514 PolarHBondContact O-N 3.39Å; R514-L516 VanDerWaalsContact C-N 3.34Å; R514-L516 PolarHBondContact O-N 3.18Å; R514-C517 PolarHBondContact O-N 2.9Å; R514-C518 VanDerWaalsContact O-CB 3.28Å; R514-C518 WeakPolarHBondContact O-CB 3.42Å; R514-C518 PolarHBondContact O-N 3.22Å; R514-C518 PolarHBondContact O-SG 2.83Å
515L85.9Confident77.6Confident92 Ų92113.6 Ų113.648%0.48258%0.579SS.*Hα-helixtrans-59.5-43.3176.4-73.5178.6000112.3F511 V512 R519F511-L515 HydrophobicContact CD1-CD1 3.85Å; F511-L515 HydrophobicContact CD1-CG 4.42Å; F511-L515 HydrophobicContact CE1-CD1 3.35Å; F511-L515 HydrophobicContact CE1-CG 4.12Å; F511-L515 HydrophobicContact CZ-CD1 3.79Å; F511-L515 HydrophobicContact CZ-CD2 4.39Å; F511-L515 HydrophobicContact CZ-CG 4.19Å; F511-L515 WeakPolarHBondContact O-CG 3.43Å; F511-L515 PolarHBondContact O-N 3.23Å; V512-L515 PolarHBondContact O-N 3.31Å; L515-R519 WeakPolarHBondContact O-CB 3.28Å; L515-R519 PolarHBondContact O-N 3.33Å
516L85.3Confident75.4Confident101 Ų101119.6 Ų119.653%0.52960%0.596SS.*Hα-helixtrans-70-38.3178.9-67.7174.9000112.5V512 C513 R514 K520V512-L516 HydrophobicContact CG1-CD1 3.79Å; V512-L516 HydrophobicContact CG1-CG 4.25Å; V512-L516 WeakPolarHBondContact O-CB 3.45Å; V512-L516 VanDerWaalsContact O-CG 3.3Å; V512-L516 WeakPolarHBondContact O-CG 3.41Å; V512-L516 PolarHBondContact O-N 3.42Å; C513-L516 PolarHBondContact O-N 2.99Å; R514-L516 VanDerWaalsContact C-N 3.34Å; R514-L516 PolarHBondContact O-N 3.18Å; L516-K520 PolarHBondContact O-N 3.11Å
517C77.8Confident73.1Confident89 Ų89120.1 Ų120.160%0.60161%0.614SS**Hα-helixtrans-70.6-40.7175.4-720000112.3C513 R514 R519 K520 S521C513-C517 VanDerWaalsContact O-CB 3.28Å; C513-C517 WeakPolarHBondContact O-CB 3.46Å; C513-C517 PolarHBondContact O-N 3.35Å; C513-C517 PolarHBondContact O-SG 2.94Å; R514-C517 PolarHBondContact O-N 2.9Å; C517-R519 VanDerWaalsContact C-N 3.34Å; C517-R519 PolarHBondContact O-N 3.2Å; C517-K520 PolarHBondContact O-N 3.03Å; C517-S521 PolarHBondContact O-N 3.47Å
518C66.8Low70.6Confident86 Ų86124.9 Ų124.958%0.58164%0.644SS**Hα-helixtrans-66.3-32.9174.6-69.20000112.5R514 K520 S521 T522R514-C518 VanDerWaalsContact O-CB 3.28Å; R514-C518 WeakPolarHBondContact O-CB 3.42Å; R514-C518 PolarHBondContact O-N 3.22Å; R514-C518 PolarHBondContact O-SG 2.83Å; C518-K520 VanDerWaalsContact C-N 3.34Å; C518-S521 PolarHBondContact O-N 3.44Å; C518-T522 PolarHBondContact O-OG1 3.22Å
519R59Low69.3Low188 Ų188129.9 Ų129.971%0.70966%0.663SS**Hα-helixtrans-67.9-27.1171.8-101.3179.8160.8177.7-4114L515 C517 T522L515-R519 WeakPolarHBondContact O-CB 3.28Å; L515-R519 PolarHBondContact O-N 3.33Å; C517-R519 VanDerWaalsContact C-N 3.34Å; C517-R519 PolarHBondContact O-N 3.2Å; R519-T522 PolarHBondContact O-OG1 3.26Å
520K54.4Low67.9Low169 Ų169129.1 Ų129.174%0.73567%0.665SS**Hα-helixtrans-77.2-30.8175.3-82.2-175.2175.9179.90112.6L516 C517 C518 T522 K523L516-K520 PolarHBondContact O-N 3.11Å; C517-K520 PolarHBondContact O-N 3.03Å; C518-K520 VanDerWaalsContact C-N 3.34Å; K520-T522 VanDerWaalsContact C-N 3.33Å; K520-T522 PolarHBondContact O-N 3.47Å; K520-K523 PolarHBondContact O-N 3.47Å
521S52.3Low66.5Low96 Ų96132.2 Ų132.267%0.67168%0.681SS**Hα-helixtrans-70.3-27.6178.3-163.10000113.4C517 C518C517-S521 PolarHBondContact O-N 3.47Å; C518-S521 PolarHBondContact O-N 3.44Å
522T52.4Low64.9Low109 Ų109134 Ų13467%0.66970%0.695SS**G310 helixtrans-82-16.4178.830.40000113.9C518 R519 K520C518-T522 PolarHBondContact O-OG1 3.22Å; R519-T522 PolarHBondContact O-OG1 3.26Å; K520-T522 VanDerWaalsContact C-N 3.33Å; K520-T522 PolarHBondContact O-N 3.47Å
523K52.7Low63.1Low192 Ų192137.8 Ų137.884%0.83571%0.71SS**G310 helixtrans-86.8-4.3176.7-79.2-169.7174.6-172.60114.9K520K520-K523 PolarHBondContact O-N 3.47Å
524K48.5Very low61.3Low200 Ų200144 Ų14487%0.8774%0.737SS**G310 helixtrans-97.17.2177.7-105-172.4177.7-172.80114.9
525A52.6Low59.3Low85 Ų85141.9 Ų141.970%0.70274%0.743SS**SBendtrans-108.764.5171.800000110.7
526K51.4Low57.3Low203 Ų203145.7 Ų145.788%0.88376%0.763SS**  trans-173.1110.6154.1-110.8177.2-179-176.20110.6
527A47.4Very low54.9Low106 Ų106149.4 Ų149.488%0.87678%0.783SS**  trans135.5108168.200000106.2
528E43.8Very low52.8Low270 Ų270154.9 Ų154.9100%1.26280%0.799SS**  cis-151.5011.3-149.2170.1-156.800107.4

Retrieved 528 of 528 residues in 258.8 ms (Link to these results)

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