A0A5K4EHY0_SCHMA Loading...

Hypoxia up-regulated protein 1

AlphaFold DB (A0A3Q0KIW1), UniProt , Accession A0A5K4EHY0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 965 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M47.7Very low55.9Low198 Ų198118.1 Ų118.198%0.97563%0.633SS**  0-52.40-153.4170.5178.800112I3 V4 V5M1-I3 PolarHBondContact O-N 2.92Å; M1-V4 PolarHBondContact O-N 3.08Å; M1-V4 VanDerWaalsContact O-N 3.17Å; M1-V5 WeakPolarHBondContact O-CG2 3.41Å; M1-V5 PolarHBondContact O-N 3.08Å
2F52.9Low54.7Low190 Ų190119 Ų11983%0.83364%0.637SS**Hα-helixtrans-55.8-39.9177.3-96.4-87.9000115.4V5 A6F2-V5 PolarHBondContact O-N 2.94Å; F2-A6 WeakPolarHBondContact O-CB 3.41Å; F2-A6 PolarHBondContact O-N 3.39Å
3I64.5Low53.2Low131 Ų131115 Ų11567%0.67264%0.641SS**Hα-helixtrans-68.5-35.3178.7-63.7173.2000111.9M1 A6 F7M1-I3 PolarHBondContact O-N 2.92Å; I3-A6 PolarHBondContact O-N 3.32Å; I3-F7 HydrophobicContact CG2-CD2 4.42Å; I3-F7 PolarHBondContact O-N 2.88Å
4V66Low52.3Low91 Ų91113.3 Ų113.355%0.55264%0.641SS**Hα-helixtrans-72.6-38.4177.71800000110.7M1 F7 H8M1-V4 PolarHBondContact O-N 3.08Å; M1-V4 VanDerWaalsContact O-N 3.17Å; V4-F7 PolarHBondContact O-N 3.17Å; V4-H8 WeakPolarHBondContact O-CB 3.3Å; V4-H8 PolarHBondContact O-N 3.24Å; V4-H8 PolarHBondContact O-ND1 3.46Å
5V65.6Low51.8Low90 Ų90115.8 Ų115.855%0.54565%0.65SS.*Hα-helixtrans-66.5-38173.2175.80000111.1M1 F2 H8 A9M1-V5 WeakPolarHBondContact O-CG2 3.41Å; M1-V5 PolarHBondContact O-N 3.08Å; F2-V5 PolarHBondContact O-N 2.94Å; V5-H8 PolarHBondContact O-N 3.44Å; V5-A9 VanDerWaalsContact O-CB 3.22Å; V5-A9 WeakPolarHBondContact O-CB 3.27Å; V5-A9 PolarHBondContact O-N 2.77Å
6A60.6Low52Low46 Ų46116.3 Ų116.338%0.3865%0.645SS.*Hα-helixtrans-66.5-42.1173.800000112F2 I3 A9 L10F2-A6 WeakPolarHBondContact O-CB 3.41Å; F2-A6 PolarHBondContact O-N 3.39Å; I3-A6 PolarHBondContact O-N 3.32Å; A6-A9 PolarHBondContact O-N 3.26Å; A6-L10 WeakPolarHBondContact O-CB 3.36Å; A6-L10 WeakPolarHBondContact O-CD1 3.45Å; A6-L10 PolarHBondContact O-N 3.49Å
7F55.7Low52.2Low154 Ų154111.9 Ų111.968%0.67563%0.627SS**Hα-helixtrans-65.1-39.3174.7-109.1-88.3000112.5I3 V4 S11I3-F7 HydrophobicContact CG2-CD2 4.42Å; I3-F7 PolarHBondContact O-N 2.88Å; V4-F7 PolarHBondContact O-N 3.17Å; F7-S11 WeakPolarHBondContact O-CB 3.36Å; F7-S11 PolarHBondContact O-N 2.77Å; F7-S11 PolarHBondContact O-OG 3.13Å
8H51.6Low53.8Low119 Ų119109.7 Ų109.755%0.55161%0.613SS**Hα-helixtrans-69.6-36173.7-82.937.9000112.3V4 V5 S11 L12V4-H8 WeakPolarHBondContact O-CB 3.3Å; V4-H8 PolarHBondContact O-N 3.24Å; V4-H8 PolarHBondContact O-ND1 3.46Å; V5-H8 PolarHBondContact O-N 3.44Å; H8-S11 WeakPolarHBondContact CA-OG 3.46Å; H8-S11 PolarHBondContact O-N 2.64Å; H8-S11 PolarHBondContact O-OG 3.45Å; H8-S11 VanDerWaalsContact O-OG 3.09Å; H8-L12 WeakPolarHBondContact O-CB 3.16Å; H8-L12 VanDerWaalsContact O-CD1 3.24Å; H8-L12 WeakPolarHBondContact O-CD1 3.16Å; H8-L12 WeakPolarHBondContact O-CG 3.32Å; H8-L12 PolarHBondContact O-N 3.23Å
9A51.3Low55.7Low61 Ų61104.4 Ų104.450%0.50458%0.584SS.*Hα-helixtrans-69.7-34175.100000112.5V5 A6 G13V5-A9 VanDerWaalsContact O-CB 3.22Å; V5-A9 WeakPolarHBondContact O-CB 3.27Å; V5-A9 PolarHBondContact O-N 2.77Å; A6-A9 PolarHBondContact O-N 3.26Å; A9-G13 PolarHBondContact O-N 2.62Å
10L50.1Low57.7Low144 Ų14499.2 Ų99.275%0.75456%0.555SS**Hα-helixtrans-73.1-32.8171.2-90.8106.7000112.5A6 G13A6-L10 WeakPolarHBondContact O-CB 3.36Å; A6-L10 WeakPolarHBondContact O-CD1 3.45Å; A6-L10 PolarHBondContact O-N 3.49Å; L10-G13 PolarHBondContact O-N 3.42Å
11S48.7Very low59.6Low75 Ų7594.5 Ų94.552%0.52453%0.529SS..Hα-helixtrans-78.2-23.9173.771.10000113.4F7 H8 G13F7-S11 WeakPolarHBondContact O-CB 3.36Å; F7-S11 PolarHBondContact O-N 2.77Å; F7-S11 PolarHBondContact O-OG 3.13Å; H8-S11 WeakPolarHBondContact CA-OG 3.46Å; H8-S11 PolarHBondContact O-N 2.64Å; H8-S11 PolarHBondContact O-OG 3.45Å; H8-S11 VanDerWaalsContact O-OG 3.09Å; S11-G13 VanDerWaalsContact C-N 3.26Å
12L41.9Very low62Low129 Ų12985 Ų8568%0.67548%0.482SS*.THydrogen-bonded Turntrans-80.7-4.6172.2-75.5159.9000112.9H8 S14H8-L12 WeakPolarHBondContact O-CB 3.16Å; H8-L12 VanDerWaalsContact O-CD1 3.24Å; H8-L12 WeakPolarHBondContact O-CD1 3.16Å; H8-L12 WeakPolarHBondContact O-CG 3.32Å; H8-L12 PolarHBondContact O-N 3.23Å; L12-S14 PolarHBondContact O-N 2.8Å
13G35.5Very low64.1Low67 Ų6776 Ų7669%0.69144%0.443SS*.THydrogen-bonded Turntrans-771.8179.200000115.6A9 L10 S11A9-G13 PolarHBondContact O-N 2.62Å; L10-G13 PolarHBondContact O-N 3.42Å; S11-G13 VanDerWaalsContact C-N 3.26Å
14S40.1Very low65.7Low91 Ų9170.4 Ų70.464%0.63641%0.414SS*.  trans-11664.9172.445.80000110.2L12 E16L12-S14 PolarHBondContact O-N 2.8Å; S14-E16 PolarHBondContact O-N 3Å
15I45.1Very low67.1Low151 Ų15166.8 Ų66.877%0.77439%0.392SS*.  trans-60.3103.8149.7-65172.1000103.8A17I15-A17 VanDerWaalsContact C-N 3.32Å; I15-A17 PolarHBondContact O-N 3.02Å
16E54.1Low68.4Low123 Ų12363.4 Ų63.458%0.57537%0.374SS*.  trans-51.7103.9171.7-76.7-169164.500105.9S14 I18 K155S14-E16 PolarHBondContact O-N 3Å; E16-I18 PolarHBondContact O-N 2.89Å; E16-I18 VanDerWaalsContact O-N 3.1Å; E16-K155 IonicContact OE1-NZ 3.65Å; E16-K155 PolarHBondContact OE1-NZ 2.93Å; E16-K155 IonicContact OE2-NZ 3.21Å; E16-K155 PolarHBondContact OE2-NZ 2.9Å
17A57Low70Confident42 Ų4262.2 Ų62.235%0.34736%0.363SS..  trans-62.1121.4-17400000107I15 S19 P37I15-A17 VanDerWaalsContact C-N 3.32Å; I15-A17 PolarHBondContact O-N 3.02Å; A17-S19 WeakPolarHBondContact O-CB 3.31Å; A17-S19 PolarHBondContact O-N 2.63Å; A17-S19 PolarHBondContact O-OG 3.21Å; A17-P37 HydrophobicContact CB-CG 4.39Å
18I80.3Confident71.9Confident73 Ų7357.7 Ų57.737%0.37434%0.344SS..  trans-58.5101.1-179.4-56.4175000107.3E16 P37 T412 F415E16-I18 PolarHBondContact O-N 2.89Å; E16-I18 VanDerWaalsContact O-N 3.1Å; I18-P37 HydrophobicContact CB-CG 4.43Å; I18-P37 WeakPolarHBondContact O-CD 3.29Å; I18-P37 WeakPolarHBondContact O-CG 3.17Å; I18-T412 HydrophobicContact CG2-CG2 3.42Å; I18-T412 VanDerWaalsContact CG2-CG2 3.42Å; I18-F415 HydrophobicContact CB-CE2 4.46Å; I18-F415 HydrophobicContact CG2-CD2 3.96Å; I18-F415 HydrophobicContact CG2-CE2 3.69Å; I18-F415 HydrophobicContact CG2-CZ 4.38Å; I18-F415 WeakPolarHBondContact O-CE2 3.35Å; I18-F415 WeakPolarHBondContact O-CZ 3.48Å
19S90.3Very high74Confident9 Ų954.5 Ų54.56%0.06333%0.328CS..  trans-132.4135.2-172.3-51.10000108.1A17 V35 S152A17-S19 WeakPolarHBondContact O-CB 3.31Å; A17-S19 PolarHBondContact O-N 2.63Å; A17-S19 PolarHBondContact O-OG 3.21Å; S19-V35 WeakPolarHBondContact CA-O 3.49Å; S19-S152 PolarHBondContact OG-OG 3.36Å
20S94.7Very high76.1Confident0 Ų051.6 Ų51.60%030%0.304CS..EExtended strand (participates in β ladder)trans-137.1157.7177.8-56.40000109.7V34 V35 T156 T412S20-V34 WeakPolarHBondContact O-CA 3.46Å; S20-V35 PolarHBondContact N-O 3.36Å; S20-V35 PolarHBondContact O-N 2.78Å; S20-T156 PolarHBondContact OG-OG1 3.4Å; S20-T412 PolarHBondContact OG-OG1 3.4Å
21M97.4Very high78.4Confident0 Ų045.7 Ų45.70%027%0.273CS..EExtended strand (participates in β ladder)trans-127.1171.9178.565.6-172.4-75.500111.8I23 V32 A33 V34 A142 A146 I154 T156 C157 V158 L182M21-I23 HydrophobicContact CE-CD1 3.96Å; M21-I23 HydrophobicContact CE-CG1 3.67Å; M21-V32 HydrophobicContact CB-CG1 4.43Å; M21-V32 HydrophobicContact CE-CG1 3.65Å; M21-V32 HydrophobicContact CE-CG2 4.12Å; M21-A33 CarbonylContact C-O 3.6Å; M21-A33 WeakPolarHBondContact CA-O 3.13Å; M21-A33 WeakPolarHBondContact CB-O 3.37Å; M21-V34 HydrophobicContact CB-CG1 4.23Å; M21-A142 HydrophobicContact CE-CB 4.48Å; M21-A146 HydrophobicContact CE-CB 3.68Å; M21-A146 HydrophobicContact SD-CB 3.83Å; M21-I154 HydrophobicContact CB-CD1 4.4Å; M21-I154 HydrophobicContact CB-CG2 4Å; M21-I154 HydrophobicContact CG-CG2 3.71Å; M21-I154 HydrophobicContact SD-CB 4.5Å; M21-I154 HydrophobicContact SD-CG2 3.86Å; M21-T156 PolarHBondContact N-O 3.11Å; M21-T156 VanDerWaalsContact N-O 3.12Å; M21-C157 HydrophobicContact CG-CB 3.66Å; M21-C157 CarbonylContact O-C 3.49Å; M21-C157 WeakPolarHBondContact O-CA 3.33Å; M21-V158 PolarHBondContact O-N 3.1Å; M21-L182 HydrophobicContact SD-CD2 4.44Å
22S98.5Very high80.7Confident0 Ų042.1 Ų42.10%025%0.248CC..EExtended strand (participates in β ladder)trans-132.4149.1161.165.20000110.8V32 A33 V158 A401 A404 V405S22-V32 VanDerWaalsContact O-CA 3.27Å; S22-V32 WeakPolarHBondContact O-CA 3.46Å; S22-A33 PolarHBondContact N-O 3.19Å; S22-A33 PolarHBondContact O-N 3.47Å; S22-A33 VanDerWaalsContact O-N 3.14Å; S22-V158 CarbonylContact C-O 3.58Å; S22-V158 WeakPolarHBondContact CA-O 3.42Å; S22-V158 VanDerWaalsContact CB-O 3.3Å; S22-V158 WeakPolarHBondContact CB-O 3.45Å; S22-A401 PolarHBondContact OG-O 3.44Å; S22-A404 VanDerWaalsContact CB-CB 3.49Å; S22-V405 WeakPolarHBondContact OG-CB 3.4Å; S22-V405 PolarHBondContact OG-N 2.83Å
23I98.3Very high83.4Confident0 Ų036 Ų360%022%0.215CC..EExtended strand (participates in β ladder)trans-116.4114.2173.5-51.5177.5000107.9M21 L25 V32 F139 A142 V158 L159 T160 L182M21-I23 HydrophobicContact CE-CD1 3.96Å; M21-I23 HydrophobicContact CE-CG1 3.67Å; I23-L25 HydrophobicContact CG2-CB 4.49Å; I23-L25 PolarHBondContact O-N 2.71Å; I23-V32 HydrophobicContact CG1-CG2 4.26Å; I23-F139 HydrophobicContact CD1-CD1 3.71Å; I23-F139 HydrophobicContact CD1-CE1 4.12Å; I23-F139 HydrophobicContact CD1-CG 4.28Å; I23-F139 HydrophobicContact CG2-CD1 4.38Å; I23-F139 HydrophobicContact CG2-CE1 4.18Å; I23-A142 HydrophobicContact CD1-CB 3.89Å; I23-A142 HydrophobicContact CG1-CB 4.31Å; I23-A142 HydrophobicContact CG2-CB 4.5Å; I23-V158 PolarHBondContact N-O 3.4Å; I23-L159 HydrophobicContact CB-CD2 3.75Å; I23-L159 HydrophobicContact CD1-CD2 3.97Å; I23-L159 HydrophobicContact CG1-CD2 4.03Å; I23-T160 PolarHBondContact O-N 3.02Å; I23-L182 HydrophobicContact CD1-CD1 3.93Å
24D97.9Very high86.3Confident14 Ų1432.9 Ų32.98%0.07518%0.183CC..EExtended strand (participates in β ladder)trans-80.398.4163.9175.342000108.8G26 M30 K31 T160 A400 A401D24-G26 VanDerWaalsContact C-N 3.32Å; D24-G26 PolarHBondContact O-N 2.82Å; D24-G26 VanDerWaalsContact O-N 3.1Å; D24-M30 WeakPolarHBondContact O-CA 3.08Å; D24-M30 WeakPolarHBondContact O-CB 3.45Å; D24-K31 HydrophobicContact CB-CB 4.35Å; D24-K31 HydrophobicContact CB-CD 4.12Å; D24-K31 PolarHBondContact N-O 3.4Å; D24-K31 PolarHBondContact O-N 2.85Å; D24-K31 VanDerWaalsContact O-N 3.12Å; D24-K31 WeakPolarHBondContact OD2-CD 3.47Å; D24-K31 IonicContact OD2-NZ 4Å; D24-K31 PolarHBondContact OD2-NZ 2.89Å; D24-T160 WeakPolarHBondContact CA-OG1 3.45Å; D24-T160 HydrophobicContact CB-CG2 4.2Å; D24-T160 PolarHBondContact OD1-OG1 3.18Å; D24-A400 HydrophobicContact CB-CB 4.42Å; D24-A401 HydrophobicContact CB-CB 4.03Å
25L94.7Very high89Confident15 Ų1528.8 Ų28.88%0.07915%0.154CC..EExtended strand (participates in β ladder)trans-87.668-175.6-171.865.7000111.3I23 T55 P86 V135 F139 T160 L173I23-L25 HydrophobicContact CG2-CB 4.49Å; I23-L25 PolarHBondContact O-N 2.71Å; L25-T55 HydrophobicContact CD1-CG2 4.49Å; L25-P86 HydrophobicContact CD1-CG 3.85Å; L25-P86 HydrophobicContact CD2-CB 3.84Å; L25-P86 HydrophobicContact CD2-CG 3.93Å; L25-P86 HydrophobicContact CG-CB 3.99Å; L25-P86 HydrophobicContact CG-CG 3.82Å; L25-V135 HydrophobicContact CD2-CG1 4Å; L25-F139 HydrophobicContact CB-CE1 4.49Å; L25-F139 HydrophobicContact CD1-CE1 4.07Å; L25-F139 HydrophobicContact CD2-CE1 3.8Å; L25-F139 HydrophobicContact CD2-CZ 3.92Å; L25-F139 HydrophobicContact CG-CE1 4.34Å; L25-T160 PolarHBondContact N-OG1 3.5Å; L25-L173 HydrophobicContact CD2-CD1 3.9Å
26G93.7Very high91.2Very high18 Ų1822 Ų2219%0.18612%0.119CC..  trans-67.7150.8174.800000112.7D24 E28 F29 T55D24-G26 VanDerWaalsContact C-N 3.32Å; D24-G26 PolarHBondContact O-N 2.82Å; D24-G26 VanDerWaalsContact O-N 3.1Å; G26-E28 VanDerWaalsContact C-N 3.31Å; G26-E28 PolarHBondContact O-N 2.98Å; G26-F29 VanDerWaalsContact CA-O 3.24Å; G26-F29 WeakPolarHBondContact CA-O 3.36Å; G26-F29 PolarHBondContact N-O 3.49Å; G26-T55 PolarHBondContact O-OG1 2.77Å
27T93.5Very high92.8Very high22 Ų2219.5 Ų19.514%0.13511%0.114CC..SBendtrans-62.3-35.2-179.2-50.80000113.3S220 M221T27-S220 WeakPolarHBondContact CB-OG 3.43Å; T27-M221 HydrophobicContact CG2-CB 4.12Å; T27-M221 HydrophobicContact CG2-CE 4.13Å
28E94.4Very high94.2Very high59 Ų5921.9 Ų21.928%0.27614%0.143SC..SBendtrans-102.5-37.2177.1-175.5-178.5-176.300113.2G26 S54 T55 S220G26-E28 VanDerWaalsContact C-N 3.31Å; G26-E28 PolarHBondContact O-N 2.98Å; E28-S54 CarbonylContact O-C 3.6Å; E28-S54 WeakPolarHBondContact O-CA 3.35Å; E28-T55 PolarHBondContact O-N 3.44Å; E28-S220 WeakPolarHBondContact CB-OG 3.39Å; E28-S220 PolarHBondContact N-OG 3.46Å; E28-S220 WeakPolarHBondContact OE2-CB 3.14Å
29F95.6Very high94.6Very high51 Ų5124 Ų2422%0.22415%0.149CC..EExtended strand (participates in β ladder)trans-135.1131-178-62.8-74.3000111.2G26 K31 K52 T53 S54 T55G26-F29 VanDerWaalsContact CA-O 3.24Å; G26-F29 WeakPolarHBondContact CA-O 3.36Å; G26-F29 PolarHBondContact N-O 3.49Å; F29-K31 PolarHBondContact O-NZ 3.16Å; F29-K52 HydrophobicContact CB-CB 4.35Å; F29-K52 HydrophobicContact CB-CD 4.15Å; F29-K52 HydrophobicContact CD1-CD 3.97Å; F29-K52 HydrophobicContact CD1-CG 4.09Å; F29-K52 HydrophobicContact CD2-CD 4.27Å; F29-K52 HydrophobicContact CE1-CD 4.47Å; F29-K52 HydrophobicContact CG-CD 3.87Å; F29-K52 HydrophobicContact CG-CG 4.39Å; F29-T53 CarbonylContact C-O 3.59Å; F29-T53 VanDerWaalsContact CA-O 3.29Å; F29-T53 WeakPolarHBondContact CA-O 3.26Å; F29-S54 WeakPolarHBondContact CE1-OG 3.24Å; F29-T55 PolarHBondContact N-OG1 3.05Å
30M96.2Very high94.7Very high0 Ų028.4 Ų28.40%018%0.178CC..EExtended strand (participates in β ladder)trans-95.6149.716570.3178.4-171.200112D24 K52 T53 T55 L138 Y141 A142 Y145D24-M30 WeakPolarHBondContact O-CA 3.08Å; D24-M30 WeakPolarHBondContact O-CB 3.45Å; M30-K52 WeakPolarHBondContact O-CA 3.11Å; M30-T53 HydrophobicContact CE-CG2 3.68Å; M30-T53 HydrophobicContact CG-CG2 4.48Å; M30-T53 PolarHBondContact N-O 3.45Å; M30-T53 PolarHBondContact O-N 2.88Å; M30-T55 PolarHBondContact N-OG1 2.87Å; M30-L138 HydrophobicContact SD-CB 4.45Å; M30-Y141 HydrophobicContact CE-CD1 3.52Å; M30-Y141 HydrophobicContact CE-CE1 4.17Å; M30-A142 HydrophobicContact CE-CB 4.15Å; M30-A142 HydrophobicContact SD-CB 4.24Å; M30-Y145 HydrophobicContact CE-CE1 4.13Å
31K97.7Very high94.7Very high21 Ų2131.3 Ų31.39%0.09119%0.192CC..EExtended strand (participates in β ladder)trans-134.1150.1173.6-51.590.8-174.8168.10108.6D24 F29 K52 D397 A401D24-K31 HydrophobicContact CB-CB 4.35Å; D24-K31 HydrophobicContact CB-CD 4.12Å; D24-K31 PolarHBondContact N-O 3.4Å; D24-K31 PolarHBondContact O-N 2.85Å; D24-K31 VanDerWaalsContact O-N 3.12Å; D24-K31 WeakPolarHBondContact OD2-CD 3.47Å; D24-K31 IonicContact OD2-NZ 4Å; D24-K31 PolarHBondContact OD2-NZ 2.89Å; F29-K31 PolarHBondContact O-NZ 3.16Å; K31-K52 HydrophobicContact CD-CB 4.49Å; K31-K52 HydrophobicContact CG-CB 3.69Å; K31-D397 VanDerWaalsContact CD-O 3.31Å; K31-D397 WeakPolarHBondContact CD-O 3.43Å; K31-D397 WeakPolarHBondContact CE-O 3.43Å; K31-A401 HydrophobicContact CB-CB 4.24Å
32V98.3Very high94.6Very high0 Ų034.1 Ų34.10%021%0.205CC..EExtended strand (participates in β ladder)trans-125.4136.8178.7171.30000109M21 S22 I23 I43 A44 A142 Y145 A146M21-V32 HydrophobicContact CB-CG1 4.43Å; M21-V32 HydrophobicContact CE-CG1 3.65Å; M21-V32 HydrophobicContact CE-CG2 4.12Å; S22-V32 VanDerWaalsContact O-CA 3.27Å; S22-V32 WeakPolarHBondContact O-CA 3.46Å; I23-V32 HydrophobicContact CG1-CG2 4.26Å; V32-I43 CarbonylContact O-C 3.56Å; V32-I43 WeakPolarHBondContact O-CA 3.48Å; V32-A44 HydrophobicContact CB-CB 4.35Å; V32-A44 HydrophobicContact CG1-CB 3.97Å; V32-A44 PolarHBondContact O-N 3.32Å; V32-A142 HydrophobicContact CG2-CB 3.79Å; V32-Y145 HydrophobicContact CB-CE2 3.72Å; V32-Y145 WeakPolarHBondContact CB-OH 3.36Å; V32-Y145 HydrophobicContact CG1-CE2 4.27Å; V32-Y145 HydrophobicContact CG2-CE2 3.97Å; V32-Y145 WeakPolarHBondContact CG2-OH 3.4Å; V32-A146 HydrophobicContact CG1-CB 3.87Å
33A98.3Very high94.6Very high0 Ų034.3 Ų34.30%021%0.206CC..EExtended strand (participates in β ladder)trans-120151.4168.600000109.6M21 S22 E42 I43 A401 L402 V405M21-A33 CarbonylContact C-O 3.6Å; M21-A33 WeakPolarHBondContact CA-O 3.13Å; M21-A33 WeakPolarHBondContact CB-O 3.37Å; S22-A33 PolarHBondContact N-O 3.19Å; S22-A33 PolarHBondContact O-N 3.47Å; S22-A33 VanDerWaalsContact O-N 3.14Å; A33-E42 CarbonylContact C-O 3.57Å; A33-E42 WeakPolarHBondContact CA-O 3.37Å; A33-E42 WeakPolarHBondContact CB-O 3.39Å; A33-I43 HydrophobicContact CB-CD1 4.05Å; A33-A401 HydrophobicContact CB-CB 4.1Å; A33-L402 HydrophobicContact CB-CD2 4.27Å; A33-V405 HydrophobicContact CB-CB 3.78Å; A33-V405 HydrophobicContact CB-CG1 3.75Å; A33-V405 HydrophobicContact CB-CG2 4.22Å
34V97.3Very high94.5Very high1 Ų134.3 Ų34.31%0.00621%0.206CC..EExtended strand (participates in β ladder)trans-125150.1178.5-66.30000110.5S20 M21 L36 E42 A44 A146 Y149 I154S20-V34 WeakPolarHBondContact O-CA 3.46Å; M21-V34 HydrophobicContact CB-CG1 4.23Å; V34-L36 HydrophobicContact CG2-CD1 4.5Å; V34-L36 HydrophobicContact CG2-CG 4.47Å; V34-E42 HydrophobicContact CG2-CG 4.07Å; V34-E42 PolarHBondContact N-O 3.29Å; V34-E42 PolarHBondContact O-N 2.8Å; V34-E42 VanDerWaalsContact O-N 3.17Å; V34-A44 HydrophobicContact CG1-CB 4.08Å; V34-A146 HydrophobicContact CG1-CB 4.08Å; V34-Y149 HydrophobicContact CG2-CD1 3.75Å; V34-Y149 HydrophobicContact CG2-CE1 3.79Å; V34-I154 HydrophobicContact CG1-CD1 3.93Å
35V95Very high94.4Very high5 Ų535.8 Ų35.83%0.0322%0.215CC..EExtended strand (participates in β ladder)trans-123126.8167.8620000108.5S19 S20 M41 V405 A409 F415S19-V35 WeakPolarHBondContact CA-O 3.49Å; S20-V35 PolarHBondContact N-O 3.36Å; S20-V35 PolarHBondContact O-N 2.78Å; V35-M41 HydrophobicContact CB-CG 4.13Å; V35-M41 HydrophobicContact CG2-CE 4.49Å; V35-M41 HydrophobicContact CG2-CG 3.95Å; V35-V405 HydrophobicContact CB-CG2 3.94Å; V35-V405 HydrophobicContact CG1-CG2 3.98Å; V35-A409 HydrophobicContact CB-CB 4.46Å; V35-A409 HydrophobicContact CG1-CB 4.1Å; V35-A409 HydrophobicContact CG2-CB 4.04Å; V35-F415 HydrophobicContact CB-CZ 4.27Å; V35-F415 HydrophobicContact CG1-CD2 4.42Å; V35-F415 HydrophobicContact CG1-CE2 3.82Å; V35-F415 HydrophobicContact CG1-CZ 3.94Å; V35-F415 HydrophobicContact CG2-CD1 4.03Å; V35-F415 HydrophobicContact CG2-CE1 3.6Å; V35-F415 HydrophobicContact CG2-CE2 4.25Å; V35-F415 HydrophobicContact CG2-CZ 3.71Å
36L91.7Very high94.3Very high9 Ų935.2 Ų35.25%0.04721%0.213CC..  trans-126150.3-175.4-54.7172.4000109.8V34 G38 K39 A150V34-L36 HydrophobicContact CG2-CD1 4.5Å; V34-L36 HydrophobicContact CG2-CG 4.47Å; L36-G38 PolarHBondContact O-N 3.16Å; L36-K39 HydrophobicContact CB-CB 4.19Å; L36-K39 HydrophobicContact CB-CD 4.16Å; L36-K39 HydrophobicContact CD1-CD 3.87Å; L36-K39 PolarHBondContact O-N 3.45Å; L36-A150 HydrophobicContact CD1-CB 4.23Å; L36-A150 HydrophobicContact CD2-CB 3.57Å
37P87.5Confident94.1Very high70 Ų7038.3 Ų38.346%0.45523%0.23SC..THydrogen-bonded Turntrans-59.3128.2179.9-24.136.3000111.6A17 I18 K39A17-P37 HydrophobicContact CB-CG 4.39Å; I18-P37 HydrophobicContact CB-CG 4.43Å; I18-P37 WeakPolarHBondContact O-CD 3.29Å; I18-P37 WeakPolarHBondContact O-CG 3.17Å; P37-K39 PolarHBondContact O-N 3.01Å
38G86.7Confident93.9Very high93 Ų9340.3 Ų40.396%0.95924%0.24SC*.THydrogen-bonded Turntrans733.3178.100000115.7L36L36-G38 PolarHBondContact O-N 3.16Å
39K89.9Confident93.9Very high118 Ų11842.4 Ų42.451%0.51326%0.261SS..SBendtrans-115150.1176.2-67.2-177.7175.6-177.70111.2L36 P37L36-K39 HydrophobicContact CB-CB 4.19Å; L36-K39 HydrophobicContact CB-CD 4.16Å; L36-K39 HydrophobicContact CD1-CD 3.87Å; L36-K39 PolarHBondContact O-N 3.45Å; P37-K39 PolarHBondContact O-N 3.01Å
40P91.4Very high93.8Very high101 Ų10144.6 Ų44.666%0.65627%0.27SS*.  trans-64.5158.7171.129.6-34.6000110.9
41M94.7Very high93.8Very high60 Ų6050.2 Ų50.230%0.29629%0.291SS..  trans-66.5132.1170.7-61.8164.2-162.500109.5V35 V405 Y406 A409 V417V35-M41 HydrophobicContact CB-CG 4.13Å; V35-M41 HydrophobicContact CG2-CE 4.49Å; V35-M41 HydrophobicContact CG2-CG 3.95Å; M41-V405 HydrophobicContact CB-CG1 3.78Å; M41-V405 HydrophobicContact CG-CG1 3.98Å; M41-V405 HydrophobicContact SD-CG1 4.09Å; M41-Y406 HydrophobicContact CE-CD2 3.83Å; M41-Y406 HydrophobicContact CE-CG 4.43Å; M41-Y406 HydrophobicContact SD-CD2 4.22Å; M41-Y406 HydrophobicContact SD-CG 4.48Å; M41-A409 HydrophobicContact CE-CB 3.75Å; M41-V417 HydrophobicContact CE-CG1 3.73Å
42E95.4Very high93.7Very high59 Ų5952.2 Ų52.228%0.27630%0.3SS..EExtended strand (participates in β ladder)trans-144.9158-175.665.4-169.8166.900112.5A33 V34 Y149A33-E42 CarbonylContact C-O 3.57Å; A33-E42 WeakPolarHBondContact CA-O 3.37Å; A33-E42 WeakPolarHBondContact CB-O 3.39Å; V34-E42 HydrophobicContact CG2-CG 4.07Å; V34-E42 PolarHBondContact N-O 3.29Å; V34-E42 PolarHBondContact O-N 2.8Å; V34-E42 VanDerWaalsContact O-N 3.17Å; E42-Y149 HydrophobicContact CG-CE1 3.82Å; E42-Y149 WeakPolarHBondContact OE1-CE1 3.38Å; E42-Y149 PolarHBondContact OE1-OH 3.16Å; E42-Y149 PolarHBondContact OE2-OH 3.48Å
43I97.6Very high93.6Very high4 Ų452.5 Ų52.52%0.02130%0.302CS..EExtended strand (participates in β ladder)trans-77.5121.3175.1-65.1-73.6000108.6V32 A33 R51 D398 A401 L402V32-I43 CarbonylContact O-C 3.56Å; V32-I43 WeakPolarHBondContact O-CA 3.48Å; A33-I43 HydrophobicContact CB-CD1 4.05Å; I43-R51 VanDerWaalsContact CG1-NH2 3.35Å; I43-R51 HydrophobicContact CG2-CB 4.04Å; I43-R51 HydrophobicContact CG2-CG 4.45Å; I43-D398 HydrophobicContact CD1-CB 3.99Å; I43-D398 HydrophobicContact CG1-CB 4Å; I43-A401 HydrophobicContact CD1-CB 3.78Å; I43-L402 HydrophobicContact CD1-CD2 4.33Å; I43-L402 HydrophobicContact CD1-CG 4.18Å; I43-L402 HydrophobicContact CG1-CD2 4.26Å; I43-L402 HydrophobicContact CG1-CG 4.34Å
44A96.8Very high93.5Very high0 Ų053.6 Ų53.60%031%0.31CS..EExtended strand (participates in β ladder)trans-71.5129.1173.200000109.8V32 V34 Y145 Y149V32-A44 HydrophobicContact CB-CB 4.35Å; V32-A44 HydrophobicContact CG1-CB 3.97Å; V32-A44 PolarHBondContact O-N 3.32Å; V34-A44 HydrophobicContact CG1-CB 4.08Å; A44-Y145 HydrophobicContact CB-CD2 4.36Å; A44-Y145 HydrophobicContact CB-CE2 4.17Å; A44-Y149 HydrophobicContact CB-CD1 3.86Å; A44-Y149 HydrophobicContact CB-CD2 4.47Å; A44-Y149 HydrophobicContact CB-CE1 4.44Å; A44-Y149 HydrophobicContact CB-CG 3.88Å
45V95.3Very high93.5Very high45 Ų4553.7 Ų53.727%0.27331%0.31SS..PPolyproline II helixtrans-88.2133.9-177.8-176.70000109.3S49 Y149V45-S49 WeakPolarHBondContact CG1-O 3.37Å; V45-Y149 HydrophobicContact CB-CD2 4.34Å; V45-Y149 HydrophobicContact CB-CE2 4.24Å; V45-Y149 HydrophobicContact CG2-CE2 4.11Å
46A92.9Very high93.5Very high4 Ų453.5 Ų53.53%0.03331%0.309CS..PPolyproline II helixtrans-67.4163.9176.600000111.7D48 S49 K50A46-D48 PolarHBondContact O-N 3.41Å; A46-S49 WeakPolarHBondContact O-CA 3.48Å; A46-S49 PolarHBondContact O-N 2.8Å; A46-K50 PolarHBondContact N-O 3.26Å
47P89.5Confident93.8Very high83 Ų8353.1 Ų53.154%0.53931%0.307SS..THydrogen-bonded Turntrans-56.9-25.1-179.7-27.436.4000114.9S49P47-S49 PolarHBondContact O-N 3.07Å
48D89.7Confident94.2Very high64 Ų6449.8 Ų49.834%0.34229%0.286SS..THydrogen-bonded Turntrans-85.717.9173.973.5-15.3000113.6A46 K50 S68A46-D48 PolarHBondContact O-N 3.41Å; D48-K50 PolarHBondContact O-N 2.87Å; D48-K50 WeakPolarHBondContact OD1-CB 3.47Å; D48-K50 WeakPolarHBondContact OD1-CG 3.35Å; D48-K50 PolarHBondContact OD1-N 3.18Å; D48-K50 WeakPolarHBondContact OD2-CD 3.16Å; D48-K50 WeakPolarHBondContact OD2-CE 3.46Å; D48-K50 IonicContact OD2-NZ 3.62Å; D48-K50 PolarHBondContact OD2-NZ 2.87Å; D48-S68 PolarHBondContact OD2-OG 2.98Å; D48-S68 VanDerWaalsContact OD2-OG 3.1Å
49S93.7Very high94.6Very high102 Ų10246.4 Ų46.471%0.71325%0.245SC*.SBendtrans63.118.2-179.9-59.80000115.1V45 A46 P47V45-S49 WeakPolarHBondContact CG1-O 3.37Å; A46-S49 WeakPolarHBondContact O-CA 3.48Å; A46-S49 PolarHBondContact O-N 2.8Å; P47-S49 PolarHBondContact O-N 3.07Å
50K94.5Very high94.6Very high98 Ų9845.9 Ų45.943%0.42624%0.242SC..  trans-94.2146.3177.1-63.6-176.1-172.7132.40112.7A46 D48 K52A46-K50 PolarHBondContact N-O 3.26Å; D48-K50 PolarHBondContact O-N 2.87Å; D48-K50 WeakPolarHBondContact OD1-CB 3.47Å; D48-K50 WeakPolarHBondContact OD1-CG 3.35Å; D48-K50 PolarHBondContact OD1-N 3.18Å; D48-K50 WeakPolarHBondContact OD2-CD 3.16Å; D48-K50 WeakPolarHBondContact OD2-CE 3.46Å; D48-K50 IonicContact OD2-NZ 3.62Å; D48-K50 PolarHBondContact OD2-NZ 2.87Å; K50-K52 VanDerWaalsContact C-N 3.3Å
51R95.6Very high94.3Very high118 Ų11848.1 Ų48.145%0.44525%0.248SC..SBendtrans-78.4-11.2175.3-62.7178.965.979.1-9.2114.1I43 D398I43-R51 VanDerWaalsContact CG1-NH2 3.35Å; I43-R51 HydrophobicContact CG2-CB 4.04Å; I43-R51 HydrophobicContact CG2-CG 4.45Å; R51-D398 IonicContact CZ-OD1 3.76Å; R51-D398 IonicContact CZ-OD2 2.62Å; R51-D398 IonicContact NE-OD1 2.85Å; R51-D398 IonicContact NE-OD2 2.79Å; R51-D398 PolarHBondContact NE-OD2 3.4Å; R51-D398 VanDerWaalsContact NH2-CG 3.32Å; R51-D398 IonicContact NH2-OD1 2.69Å; R51-D398 IonicContact NH2-OD2 3.31Å; R51-D398 PolarHBondContact NH2-OD2 2.85Å
52K95.6Very high93.5Very high62 Ų6252.2 Ų52.227%0.2727%0.272SS..SBendtrans-143.5144.5178.765.1-178.8173.8-1770110.7F29 M30 K31 K50 D397F29-K52 HydrophobicContact CB-CB 4.35Å; F29-K52 HydrophobicContact CB-CD 4.15Å; F29-K52 HydrophobicContact CD1-CD 3.97Å; F29-K52 HydrophobicContact CD1-CG 4.09Å; F29-K52 HydrophobicContact CD2-CD 4.27Å; F29-K52 HydrophobicContact CE1-CD 4.47Å; F29-K52 HydrophobicContact CG-CD 3.87Å; F29-K52 HydrophobicContact CG-CG 4.39Å; M30-K52 WeakPolarHBondContact O-CA 3.11Å; K31-K52 HydrophobicContact CD-CB 4.49Å; K31-K52 HydrophobicContact CG-CB 3.69Å; K50-K52 VanDerWaalsContact C-N 3.3Å; K52-D397 IonicContact NZ-OD1 2.69Å; K52-D397 PolarHBondContact NZ-OD1 3.37Å; K52-D397 IonicContact NZ-OD2 3.88Å
53T96.2Very high93.2Very high6 Ų652.9 Ų52.94%0.03728%0.275CS..EExtended strand (participates in β ladder)trans-115.1131.7-177.1-57.40000108.8F29 M30 T55 Y141F29-T53 CarbonylContact C-O 3.59Å; F29-T53 VanDerWaalsContact CA-O 3.29Å; F29-T53 WeakPolarHBondContact CA-O 3.26Å; M30-T53 HydrophobicContact CE-CG2 3.68Å; M30-T53 HydrophobicContact CG-CG2 4.48Å; M30-T53 PolarHBondContact N-O 3.45Å; M30-T53 PolarHBondContact O-N 2.88Å; T53-T55 PolarHBondContact O-N 3.48Å; T53-Y141 HydrophobicContact CG2-CD1 4.24Å; T53-Y141 HydrophobicContact CG2-CE1 3.68Å
54S96.1Very high93.1Very high24 Ų2454.1 Ų54.117%0.16828%0.279CS..EExtended strand (participates in β ladder)trans-60.1132.8173.2-62.10000110.6E28 F29 A56 G67E28-S54 CarbonylContact O-C 3.6Å; E28-S54 WeakPolarHBondContact O-CA 3.35Å; F29-S54 WeakPolarHBondContact CE1-OG 3.24Å; S54-A56 PolarHBondContact O-N 3.26Å; S54-G67 WeakPolarHBondContact O-CA 3.34Å
55T96.9Very high93Very high3 Ų355 Ų552%0.01828%0.284CS..SBendtrans-75.968.2177.7-520000109.4L25 G26 E28 F29 M30 T53 P86 L138L25-T55 HydrophobicContact CD1-CG2 4.49Å; G26-T55 PolarHBondContact O-OG1 2.77Å; E28-T55 PolarHBondContact O-N 3.44Å; F29-T55 PolarHBondContact N-OG1 3.05Å; M30-T55 PolarHBondContact N-OG1 2.87Å; T53-T55 PolarHBondContact O-N 3.48Å; T55-P86 HydrophobicContact CG2-CG 3.52Å; T55-L138 HydrophobicContact CG2-CD1 3.61Å
56A96.8Very high93Very high1 Ų154 Ų541%0.00828%0.276CS..EExtended strand (participates in β ladder)trans-142137.3-173.400000111.1S54 G67 A70 V71 F82 Q83S54-A56 PolarHBondContact O-N 3.26Å; A56-G67 PolarHBondContact O-N 3.42Å; A56-A70 HydrophobicContact CB-CB 3.81Å; A56-V71 HydrophobicContact CB-CG2 3.92Å; A56-F82 VanDerWaalsContact CA-O 3.28Å; A56-F82 WeakPolarHBondContact CA-O 3.43Å; A56-Q83 HydrophobicContact CB-CG 3.96Å
57I97Very high93.1Very high1 Ų154 Ų541%0.00528%0.276CS..EExtended strand (participates in β ladder)trans-123.5128.4173.8-59.2168000108.4F59 L65 F66 V81 F82 L134 M137 L138I57-F59 HydrophobicContact CG2-CD2 4.35Å; I57-F59 HydrophobicContact CG2-CE2 3.73Å; I57-F59 HydrophobicContact CG2-CZ 4.01Å; I57-L65 CarbonylContact C-O 3.14Å; I57-L65 WeakPolarHBondContact CA-O 3.35Å; I57-F66 HydrophobicContact CD1-CE1 4.24Å; I57-F66 HydrophobicContact CG1-CD1 3.93Å; I57-F66 HydrophobicContact CG1-CE1 3.88Å; I57-F66 HydrophobicContact CG2-CE1 4.42Å; I57-V81 CarbonylContact O-C 3.56Å; I57-V81 WeakPolarHBondContact O-CA 3.37Å; I57-F82 PolarHBondContact N-O 3.5Å; I57-F82 PolarHBondContact O-N 2.91Å; I57-L134 HydrophobicContact CD1-CB 4.14Å; I57-L134 HydrophobicContact CD1-CD2 4.21Å; I57-L134 WeakPolarHBondContact CD1-O 3.25Å; I57-M137 HydrophobicContact CD1-CB 3.91Å; I57-L138 HydrophobicContact CD1-CD1 4.43Å; I57-L138 HydrophobicContact CD1-CD2 4.1Å; I57-L138 HydrophobicContact CD1-CG 3.72Å; I57-L138 HydrophobicContact CG1-CD2 3.77Å; I57-L138 HydrophobicContact CG1-CG 3.98Å
58G96.4Very high93.2Very high0 Ų051.5 Ų51.50%026%0.26CS..EExtended strand (participates in β ladder)trans-116.1147.5174.500000111.3L65 N80G58-L65 PolarHBondContact N-O 3.09Å; G58-L65 PolarHBondContact O-N 3.3Å; G58-N80 CarbonylContact C-O 3.46Å; G58-N80 VanDerWaalsContact CA-O 3.28Å; G58-N80 WeakPolarHBondContact CA-O 3.39Å
59F94.6Very high93.5Very high22 Ų2253.2 Ų53.210%0.09627%0.269CS..EExtended strand (participates in β ladder)trans-116126.2171.5-65.1-93.5000110.4I57 E63 R64 N80 F82 L123 F129 L134 M137I57-F59 HydrophobicContact CG2-CD2 4.35Å; I57-F59 HydrophobicContact CG2-CE2 3.73Å; I57-F59 HydrophobicContact CG2-CZ 4.01Å; F59-E63 WeakPolarHBondContact CA-O 3.29Å; F59-R64 HydrophobicContact CD1-CG 4.17Å; F59-R64 HydrophobicContact CE1-CG 3.72Å; F59-R64 HydrophobicContact CZ-CG 4.46Å; F59-N80 PolarHBondContact N-O 2.93Å; F59-N80 WeakPolarHBondContact O-CB 3.19Å; F59-N80 PolarHBondContact O-ND2 2.98Å; F59-F82 AromaticContact CD2-CD2 3.96Å; F59-F82 HydrophobicContact CD2-CD2 3.96Å; F59-F82 AromaticContact CD2-CE2 3.62Å; F59-F82 HydrophobicContact CD2-CE2 3.62Å; F59-F82 AromaticContact CE2-CD2 3.73Å; F59-F82 HydrophobicContact CE2-CD2 3.73Å; F59-F82 AromaticContact CE2-CE2 3.54Å; F59-F82 HydrophobicContact CE2-CE2 3.54Å; F59-L123 HydrophobicContact CD2-CD1 4.36Å; F59-L123 HydrophobicContact CG-CD1 4.32Å; F59-F129 HydrophobicContact CD1-CE2 4.36Å; F59-F129 AromaticContact CE1-CE2 3.68Å; F59-F129 HydrophobicContact CE1-CE2 3.68Å; F59-F129 AromaticContact CE1-CZ 3.69Å; F59-F129 HydrophobicContact CE1-CZ 3.69Å; F59-F129 HydrophobicContact CE2-CD2 4.31Å; F59-F129 HydrophobicContact CE2-CE2 4.07Å; F59-F129 HydrophobicContact CZ-CD2 4.03Å; F59-F129 HydrophobicContact CZ-CE1 4.45Å; F59-F129 AromaticContact CZ-CE2 3.51Å; F59-F129 HydrophobicContact CZ-CE2 3.51Å; F59-F129 AromaticContact CZ-CZ 3.77Å; F59-F129 HydrophobicContact CZ-CZ 3.77Å; F59-L134 HydrophobicContact CE2-CD2 4Å; F59-L134 HydrophobicContact CZ-CD2 4.15Å; F59-M137 HydrophobicContact CZ-CE 4.38Å; F59-M137 HydrophobicContact CZ-SD 4.06Å
60K91.2Very high93.6Very high106 Ų10648.4 Ų48.446%0.46124%0.235SC..EExtended strand (participates in β ladder)trans-146.4124.8177.2-174.3-171.5176-161.50109.7N62 E63 L65 L73K60-N62 VanDerWaalsContact C-N 3.3Å; K60-N62 PolarHBondContact O-N 3.38Å; K60-E63 PolarHBondContact N-O 2.91Å; K60-E63 WeakPolarHBondContact O-CA 3.31Å; K60-E63 WeakPolarHBondContact O-CB 3.33Å; K60-E63 PolarHBondContact O-N 2.86Å; K60-L65 HydrophobicContact CB-CD1 4.26Å; K60-L73 HydrophobicContact CB-CD2 4.04Å; K60-L73 HydrophobicContact CD-CD1 4.2Å
61N84Confident93.6Very high148 Ų14845 Ų4579%0.79122%0.222SC*.THydrogen-bonded Turntrans50.646176.6-56.3-10.6000113.3E63N61-E63 PolarHBondContact O-N 3.45Å
62N78.3Confident93.4Very high147 Ų14744.3 Ų44.379%0.78623%0.228SC*.THydrogen-bonded Turntrans638.5-173.8-61.1-18.3000116.1K60K60-N62 VanDerWaalsContact C-N 3.3Å; K60-N62 PolarHBondContact O-N 3.38Å
63E88.9Confident93.4Very high73 Ų7342.1 Ų42.134%0.34122%0.219SC..EExtended strand (participates in β ladder)trans-96.5138.8174.8-166.3-172.2161.400111F59 K60 N61 L65F59-E63 WeakPolarHBondContact CA-O 3.29Å; K60-E63 PolarHBondContact N-O 2.91Å; K60-E63 WeakPolarHBondContact O-CA 3.31Å; K60-E63 WeakPolarHBondContact O-CB 3.33Å; K60-E63 PolarHBondContact O-N 2.86Å; N61-E63 PolarHBondContact O-N 3.45Å; E63-L65 HydrophobicContact CG-CD2 4.19Å; E63-L65 WeakPolarHBondContact OE1-CD2 3.45Å
64R94.3Very high93.3Very high30 Ų3041.9 Ų41.911%0.11322%0.217CC..EExtended strand (participates in β ladder)trans-86.6120.7167.4-67-174.1-70.6172.9-2.1109.4F59 F66 M137 E140 L686F59-R64 HydrophobicContact CD1-CG 4.17Å; F59-R64 HydrophobicContact CE1-CG 3.72Å; F59-R64 HydrophobicContact CZ-CG 4.46Å; R64-F66 HydrophobicContact CB-CE2 3.7Å; R64-F66 HydrophobicContact CB-CZ 4Å; R64-M137 WeakPolarHBondContact CD-SD 3.37Å; R64-E140 IonicContact CZ-OE2 3.73Å; R64-E140 IonicContact NH1-OE2 2.73Å; R64-E140 PolarHBondContact NH1-OE2 2.9Å; R64-E140 IonicContact NH2-OE2 3.46Å; R64-L686 PolarHBondContact NH2-O 2.93Å
65L95.2Very high93.1Very high19 Ų1942.1 Ų42.110%0.09922%0.219CC..EExtended strand (participates in β ladder)trans-101.2138.9170.9-55.9-178000109.2I57 G58 K60 E63 L69 A70 L73I57-L65 CarbonylContact C-O 3.14Å; I57-L65 WeakPolarHBondContact CA-O 3.35Å; G58-L65 PolarHBondContact N-O 3.09Å; G58-L65 PolarHBondContact O-N 3.3Å; K60-L65 HydrophobicContact CB-CD1 4.26Å; E63-L65 HydrophobicContact CG-CD2 4.19Å; E63-L65 WeakPolarHBondContact OE1-CD2 3.45Å; L65-L69 HydrophobicContact CB-CB 4.08Å; L65-L69 HydrophobicContact CD2-CB 4.44Å; L65-L69 HydrophobicContact CD2-CD1 4.5Å; L65-A70 HydrophobicContact CB-CB 4.43Å; L65-L73 HydrophobicContact CD1-CB 4.37Å; L65-L73 HydrophobicContact CD1-CD2 4Å
66F95.7Very high92.9Very high24 Ų2449.6 Ų49.611%0.10525%0.251CS..EExtended strand (participates in β ladder)trans-121.6158.6178.3-63.8-85.3000111I57 R64 S68 L69 M137 L138 Y141I57-F66 HydrophobicContact CD1-CE1 4.24Å; I57-F66 HydrophobicContact CG1-CD1 3.93Å; I57-F66 HydrophobicContact CG1-CE1 3.88Å; I57-F66 HydrophobicContact CG2-CE1 4.42Å; R64-F66 HydrophobicContact CB-CE2 3.7Å; R64-F66 HydrophobicContact CB-CZ 4Å; F66-S68 PolarHBondContact O-N 2.96Å; F66-L69 PolarHBondContact O-N 2.94Å; F66-M137 HydrophobicContact CE1-CB 3.99Å; F66-M137 WeakPolarHBondContact CE1-O 3.15Å; F66-M137 HydrophobicContact CZ-CB 4.17Å; F66-L138 HydrophobicContact CD1-CD2 4.34Å; F66-Y141 HydrophobicContact CB-CD1 4.03Å; F66-Y141 HydrophobicContact CB-CD2 3.73Å; F66-Y141 HydrophobicContact CB-CE1 4.05Å; F66-Y141 HydrophobicContact CB-CE2 3.74Å; F66-Y141 HydrophobicContact CB-CG 3.87Å; F66-Y141 HydrophobicContact CD1-CD2 4.25Å; F66-Y141 AromaticContact CD1-CG 3.97Å; F66-Y141 HydrophobicContact CD1-CG 3.97Å; F66-Y141 AromaticContact CD2-CD2 3.46Å; F66-Y141 HydrophobicContact CD2-CD2 3.46Å; F66-Y141 VanDerWaalsContact CD2-CD2 3.46Å; F66-Y141 AromaticContact CD2-CE2 3.97Å; F66-Y141 HydrophobicContact CD2-CE2 3.97Å; F66-Y141 HydrophobicContact CD2-CG 4.03Å; F66-Y141 HydrophobicContact CE2-CD2 4.08Å; F66-Y141 HydrophobicContact CG-CD1 4.31Å; F66-Y141 AromaticContact CG-CD2 3.55Å; F66-Y141 HydrophobicContact CG-CD2 3.55Å; F66-Y141 HydrophobicContact CG-CE2 4.04Å; F66-Y141 AromaticContact CG-CG 3.69Å; F66-Y141 HydrophobicContact CG-CG 3.69Å
67G94.7Very high92.8Very high2 Ų251.3 Ų51.32%0.02126%0.264CS..Hα-helixtrans60.7-130.4169.100000113.3S54 A56 L69 A70 V71S54-G67 WeakPolarHBondContact O-CA 3.34Å; A56-G67 PolarHBondContact O-N 3.42Å; G67-L69 VanDerWaalsContact C-N 3.26Å; G67-L69 PolarHBondContact O-N 2.78Å; G67-A70 PolarHBondContact O-N 2.88Å; G67-V71 WeakPolarHBondContact O-CG2 3.34Å; G67-V71 PolarHBondContact O-N 2.87Å; G67-V71 VanDerWaalsContact O-N 3.09Å
68S92.8Very high92.7Very high31 Ų3151.4 Ų51.422%0.21726%0.264CS..Hα-helixtrans-62.5-32.1-176.761.30000113.1D48 F66 V71 N72D48-S68 PolarHBondContact OD2-OG 2.98Å; D48-S68 VanDerWaalsContact OD2-OG 3.1Å; F66-S68 PolarHBondContact O-N 2.96Å; S68-V71 PolarHBondContact O-N 3.27Å; S68-N72 WeakPolarHBondContact O-CB 3.24Å; S68-N72 PolarHBondContact O-N 2.89Å; S68-N72 PolarHBondContact O-ND2 3.34Å
69L94.5Very high92.6Very high101 Ų10153.5 Ų53.553%0.52927%0.274SS..Hα-helixtrans-66.1-41.8176.3-62.6177.7000111.6L65 F66 G67 N72 L73L65-L69 HydrophobicContact CB-CB 4.08Å; L65-L69 HydrophobicContact CD2-CB 4.44Å; L65-L69 HydrophobicContact CD2-CD1 4.5Å; F66-L69 PolarHBondContact O-N 2.94Å; G67-L69 VanDerWaalsContact C-N 3.26Å; G67-L69 PolarHBondContact O-N 2.78Å; L69-N72 PolarHBondContact O-N 3.29Å; L69-L73 PolarHBondContact O-N 2.8Å; L69-L73 VanDerWaalsContact O-N 3.14Å
70A96.1Very high92.7Very high0 Ų054.5 Ų54.50%028%0.28CS..Hα-helixtrans-64.5-45.9175.300000111.6A56 L65 G67 N72 L73 A74 V81A56-A70 HydrophobicContact CB-CB 3.81Å; L65-A70 HydrophobicContact CB-CB 4.43Å; G67-A70 PolarHBondContact O-N 2.88Å; A70-N72 VanDerWaalsContact C-N 3.32Å; A70-N72 PolarHBondContact O-N 3.45Å; A70-L73 WeakPolarHBondContact O-CB 3.17Å; A70-L73 PolarHBondContact O-N 3.3Å; A70-L73 VanDerWaalsContact O-N 3.15Å; A70-A74 PolarHBondContact O-N 3.39Å; A70-V81 HydrophobicContact CB-CG1 4.29Å; A70-V81 WeakPolarHBondContact O-CG1 3.08Å; A70-V81 WeakPolarHBondContact O-CG2 3.49Å
71V94.2Very high93Very high26 Ų2649.4 Ų49.416%0.15826%0.258CS..Hα-helixtrans-60.3-41.9177.5174.90000111.3A56 G67 S68 L73 A74 L298A56-V71 HydrophobicContact CB-CG2 3.92Å; G67-V71 WeakPolarHBondContact O-CG2 3.34Å; G67-V71 PolarHBondContact O-N 2.87Å; G67-V71 VanDerWaalsContact O-N 3.09Å; S68-V71 PolarHBondContact O-N 3.27Å; V71-L73 VanDerWaalsContact C-N 3.31Å; V71-L73 PolarHBondContact O-N 2.68Å; V71-A74 WeakPolarHBondContact O-CB 3.34Å; V71-A74 PolarHBondContact O-N 2.63Å; V71-A74 VanDerWaalsContact O-N 3.16Å; V71-L298 HydrophobicContact CG1-CD2 3.72Å
72N93.2Very high93.6Very high105 Ų10542.5 Ų42.556%0.56122%0.221SC*.Hα-helixtrans-63-36.8177.2-72.5-19.8000112.3S68 L69 A70 A74 S75S68-N72 WeakPolarHBondContact O-CB 3.24Å; S68-N72 PolarHBondContact O-N 2.89Å; S68-N72 PolarHBondContact O-ND2 3.34Å; L69-N72 PolarHBondContact O-N 3.29Å; A70-N72 VanDerWaalsContact C-N 3.32Å; A70-N72 PolarHBondContact O-N 3.45Å; N72-A74 VanDerWaalsContact C-N 3.27Å; N72-A74 PolarHBondContact O-N 3.21Å; N72-S75 PolarHBondContact O-N 2.69Å; N72-S75 PolarHBondContact O-OG 3.5Å
73L95.4Very high94.4Very high15 Ų1537.3 Ų37.38%0.07919%0.192CC..Hα-helixtrans-63.5-31.2176.1-178.262.6000112.4K60 L65 L69 A70 V71 S75 K76 S77 V81K60-L73 HydrophobicContact CB-CD2 4.04Å; K60-L73 HydrophobicContact CD-CD1 4.2Å; L65-L73 HydrophobicContact CD1-CB 4.37Å; L65-L73 HydrophobicContact CD1-CD2 4Å; L69-L73 PolarHBondContact O-N 2.8Å; L69-L73 VanDerWaalsContact O-N 3.14Å; A70-L73 WeakPolarHBondContact O-CB 3.17Å; A70-L73 PolarHBondContact O-N 3.3Å; A70-L73 VanDerWaalsContact O-N 3.15Å; V71-L73 VanDerWaalsContact C-N 3.31Å; V71-L73 PolarHBondContact O-N 2.68Å; L73-S75 PolarHBondContact O-N 2.91Å; L73-S75 VanDerWaalsContact O-N 3.1Å; L73-K76 PolarHBondContact O-N 2.94Å; L73-S77 PolarHBondContact O-N 3.41Å; L73-V81 HydrophobicContact CB-CG2 3.8Å; L73-V81 HydrophobicContact CD2-CG2 3.85Å; L73-V81 HydrophobicContact CG-CG2 3.75Å
74A93.9Very high94.6Very high1 Ų134 Ų341%0.00818%0.177CC..THydrogen-bonded Turntrans-61.9-23.6-176.200000113.5A70 V71 N72 K76 P78 V81 S294A70-A74 PolarHBondContact O-N 3.39Å; V71-A74 WeakPolarHBondContact O-CB 3.34Å; V71-A74 PolarHBondContact O-N 2.63Å; V71-A74 VanDerWaalsContact O-N 3.16Å; N72-A74 VanDerWaalsContact C-N 3.27Å; N72-A74 PolarHBondContact O-N 3.21Å; A74-K76 VanDerWaalsContact C-N 3.27Å; A74-K76 PolarHBondContact O-N 3.47Å; A74-P78 WeakPolarHBondContact O-CB 3.45Å; A74-P78 WeakPolarHBondContact O-CD 3.24Å; A74-V81 HydrophobicContact CB-CB 4.09Å; A74-V81 HydrophobicContact CB-CG1 4.13Å; A74-V81 HydrophobicContact CB-CG2 4.12Å; A74-S294 WeakPolarHBondContact O-CB 3.48Å
75S91.2Very high94.6Very high29 Ų2932.8 Ų32.820%0.20317%0.172CC..THydrogen-bonded Turntrans-71.6-19.5175.170.10000113.9N72 L73 R291N72-S75 PolarHBondContact O-N 2.69Å; N72-S75 PolarHBondContact O-OG 3.5Å; L73-S75 PolarHBondContact O-N 2.91Å; L73-S75 VanDerWaalsContact O-N 3.1Å; S75-R291 WeakPolarHBondContact O-CG 3.5Å
76K93.2Very high94.5Very high160 Ų16032 Ų3270%0.69617%0.169SC*.THydrogen-bonded Turntrans-111.1-45.2-177.1-65.5-179.2-178.6178.80112.1L73 A74L73-K76 PolarHBondContact O-N 2.94Å; A74-K76 VanDerWaalsContact C-N 3.27Å; A74-K76 PolarHBondContact O-N 3.47Å
77S93.9Very high94.4Very high38 Ų3831.3 Ų31.327%0.26617%0.167SC..  trans-138.166.5-173.9-58.10000110.5L73 E79 N80L73-S77 PolarHBondContact O-N 3.41Å; S77-E79 PolarHBondContact O-N 3.48Å; S77-N80 PolarHBondContact O-N 2.82Å; S77-N80 VanDerWaalsContact O-N 3.11Å
78P95.5Very high94.4Very high2 Ų231.3 Ų31.31%0.01317%0.166CC..G310 helixtrans-56.3-34.2-175.922.3-33.3000114.1A74 N80 V81 Y107 H290 S294A74-P78 WeakPolarHBondContact O-CB 3.45Å; A74-P78 WeakPolarHBondContact O-CD 3.24Å; P78-N80 PolarHBondContact O-N 3.31Å; P78-N80 VanDerWaalsContact O-N 3.09Å; P78-V81 PolarHBondContact O-N 2.64Å; P78-Y107 VanDerWaalsContact C-CE2 3.49Å; P78-Y107 HydrophobicContact CB-CD1 4.22Å; P78-Y107 HydrophobicContact CB-CD2 4.37Å; P78-Y107 HydrophobicContact CB-CE1 3.77Å; P78-Y107 HydrophobicContact CB-CE2 3.93Å; P78-Y107 HydrophobicContact CB-CG 4.47Å; P78-Y107 HydrophobicContact CG-CE1 4.49Å; P78-Y107 WeakPolarHBondContact O-CE2 3.29Å; P78-H290 HydrophobicContact CG-CB 3.74Å; P78-S294 WeakPolarHBondContact CB-OG 3.26Å
79E95Very high94.4Very high44 Ų4429.9 Ų29.921%0.20616%0.156CC..G310 helixtrans-57.9-23.4177.761.4-95.2-132.400114.4S77 H108 K124S77-E79 PolarHBondContact O-N 3.48Å; E79-H108 PolarHBondContact O-ND1 2.84Å; E79-K124 HydrophobicContact CG-CD 4.26Å; E79-K124 IonicContact OE1-NZ 2.69Å; E79-K124 PolarHBondContact OE1-NZ 3.29Å
80N95.2Very high94.2Very high43 Ų4325.7 Ų25.723%0.2314%0.137CC..G310 helixtrans-97.63.6-179.1-65.7-8.7000112.6G58 F59 S77 P78G58-N80 CarbonylContact C-O 3.46Å; G58-N80 VanDerWaalsContact CA-O 3.28Å; G58-N80 WeakPolarHBondContact CA-O 3.39Å; F59-N80 PolarHBondContact N-O 2.93Å; F59-N80 WeakPolarHBondContact O-CB 3.19Å; F59-N80 PolarHBondContact O-ND2 2.98Å; S77-N80 PolarHBondContact O-N 2.82Å; S77-N80 VanDerWaalsContact O-N 3.11Å; P78-N80 PolarHBondContact O-N 3.31Å; P78-N80 VanDerWaalsContact O-N 3.09Å
81V96.9Very high93.9Very high0 Ų026.2 Ų26.20%014%0.139CC..EExtended strand (participates in β ladder)trans-120116.3-176.4-174.40000110.9I57 A70 L73 A74 P78 Q83 H108I57-V81 CarbonylContact O-C 3.56Å; I57-V81 WeakPolarHBondContact O-CA 3.37Å; A70-V81 HydrophobicContact CB-CG1 4.29Å; A70-V81 WeakPolarHBondContact O-CG1 3.08Å; A70-V81 WeakPolarHBondContact O-CG2 3.49Å; L73-V81 HydrophobicContact CB-CG2 3.8Å; L73-V81 HydrophobicContact CD2-CG2 3.85Å; L73-V81 HydrophobicContact CG-CG2 3.75Å; A74-V81 HydrophobicContact CB-CB 4.09Å; A74-V81 HydrophobicContact CB-CG1 4.13Å; A74-V81 HydrophobicContact CB-CG2 4.12Å; P78-V81 PolarHBondContact O-N 2.64Å; V81-Q83 HydrophobicContact CG1-CG 3.99Å; V81-H108 PolarHBondContact O-CE1 3.31Å; V81-H108 PolarHBondContact O-NE2 3.42Å; V81-H108 VanDerWaalsContact O-NE2 3.11Å
82F97.1Very high93.8Very high2 Ų225.7 Ų25.71%0.00914%0.137CC..EExtended strand (participates in β ladder)trans-96.9115.1179.6-59.7-77.3000109.7A56 I57 F59 I85 H108 F121 L123 L134A56-F82 VanDerWaalsContact CA-O 3.28Å; A56-F82 WeakPolarHBondContact CA-O 3.43Å; I57-F82 PolarHBondContact N-O 3.5Å; I57-F82 PolarHBondContact O-N 2.91Å; F59-F82 AromaticContact CD2-CD2 3.96Å; F59-F82 HydrophobicContact CD2-CD2 3.96Å; F59-F82 AromaticContact CD2-CE2 3.62Å; F59-F82 HydrophobicContact CD2-CE2 3.62Å; F59-F82 AromaticContact CE2-CD2 3.73Å; F59-F82 HydrophobicContact CE2-CD2 3.73Å; F59-F82 AromaticContact CE2-CE2 3.54Å; F59-F82 HydrophobicContact CE2-CE2 3.54Å; F82-I85 HydrophobicContact CB-CD1 3.77Å; F82-I85 HydrophobicContact CB-CG1 3.69Å; F82-I85 HydrophobicContact CD1-CD1 4.35Å; F82-H108 AromaticContact CD1-CE1 3.57Å; F82-H108 AromaticContact CD1-ND1 3.91Å; F82-H108 AromaticContact CD1-NE2 3.93Å; F82-H108 AromaticContact CE1-CE1 3.69Å; F82-H108 AromaticContact CE1-ND1 3.62Å; F82-F121 HydrophobicContact CD1-CB 4.45Å; F82-F121 HydrophobicContact CD1-CD1 4.06Å; F82-F121 HydrophobicContact CD1-CD2 4.06Å; F82-F121 HydrophobicContact CD1-CE1 4.27Å; F82-F121 HydrophobicContact CD1-CE2 4.27Å; F82-F121 AromaticContact CD1-CG 3.93Å; F82-F121 HydrophobicContact CD1-CG 3.93Å; F82-F121 HydrophobicContact CD1-CZ 4.37Å; F82-F121 HydrophobicContact CE1-CB 3.55Å; F82-F121 AromaticContact CE1-CD1 3.62Å; F82-F121 HydrophobicContact CE1-CD1 3.62Å; F82-F121 AromaticContact CE1-CD2 3.98Å; F82-F121 HydrophobicContact CE1-CD2 3.98Å; F82-F121 HydrophobicContact CE1-CE1 4.26Å; F82-F121 AromaticContact CE1-CG 3.43Å; F82-F121 HydrophobicContact CE1-CG 3.43Å; F82-F121 VanDerWaalsContact CE1-CG 3.43Å; F82-F121 HydrophobicContact CZ-CB 3.99Å; F82-F121 HydrophobicContact CZ-CG 4.34Å; F82-L123 HydrophobicContact CE2-CD2 3.84Å; F82-L123 HydrophobicContact CZ-CD2 3.56Å; F82-L123 HydrophobicContact CZ-CG 4.27Å; F82-L134 HydrophobicContact CB-CD1 4.2Å; F82-L134 HydrophobicContact CD1-CD1 3.96Å; F82-L134 HydrophobicContact CD2-CD1 4.29Å; F82-L134 HydrophobicContact CD2-CD2 4.13Å; F82-L134 HydrophobicContact CE1-CD1 4.42Å; F82-L134 HydrophobicContact CE2-CD2 4.47Å; F82-L134 HydrophobicContact CG-CD1 3.89Å; F82-L134 HydrophobicContact CG-CD2 4.48Å
83Q95.5Very high93.7Very high39 Ų3922.8 Ų22.818%0.18212%0.121CC..EExtended strand (participates in β ladder)trans-121.1157.1-179.6-63.3176.96800110A56 V81 I85 F101 Y105A56-Q83 HydrophobicContact CB-CG 3.96Å; V81-Q83 HydrophobicContact CG1-CG 3.99Å; Q83-I85 PolarHBondContact O-N 3.11Å; Q83-I85 VanDerWaalsContact O-N 3.07Å; Q83-F101 VanDerWaalsContact O-CE2 3.31Å; Q83-F101 WeakPolarHBondContact O-CE2 3.49Å; Q83-Y105 HydrophobicContact CB-CE1 3.92Å
84S93.6Very high93.5Very high3 Ų326 Ų262%0.02114%0.139CC..SBendtrans60.216178-50.30000115.1P86 S87 Y105 Q261S84-P86 VanDerWaalsContact C-CD 3.47Å; S84-S87 WeakPolarHBondContact O-CB 3.25Å; S84-S87 PolarHBondContact O-N 2.88Å; S84-S87 VanDerWaalsContact O-N 3.09Å; S84-S87 PolarHBondContact O-OG 3.47Å; S84-Y105 PolarHBondContact OG-OH 3.49Å; S84-Q261 PolarHBondContact OG-NE2 2.92Å
85I94.8Very high93.3Very high4 Ų426.3 Ų26.32%0.02114%0.14CC..G310 helixtrans-59.3-36.3-172.8-57.2-56.5000114.6F82 Q83 S87 L88 F101 F121 V131 L134 V135F82-I85 HydrophobicContact CB-CD1 3.77Å; F82-I85 HydrophobicContact CB-CG1 3.69Å; F82-I85 HydrophobicContact CD1-CD1 4.35Å; Q83-I85 PolarHBondContact O-N 3.11Å; Q83-I85 VanDerWaalsContact O-N 3.07Å; I85-S87 PolarHBondContact O-N 3.41Å; I85-L88 HydrophobicContact CD1-CD1 4.15Å; I85-L88 WeakPolarHBondContact O-CB 3.46Å; I85-L88 PolarHBondContact O-N 3.29Å; I85-F101 HydrophobicContact CD1-CE2 3.91Å; I85-F101 HydrophobicContact CD1-CZ 3.94Å; I85-F121 HydrophobicContact CD1-CE2 3.79Å; I85-F121 HydrophobicContact CD1-CZ 3.83Å; I85-V131 HydrophobicContact CG2-CG1 3.87Å; I85-L134 HydrophobicContact CG1-CD1 4.46Å; I85-L134 HydrophobicContact CG2-CB 4.04Å; I85-L134 HydrophobicContact CG2-CD1 4.29Å; I85-V135 HydrophobicContact CG2-CG2 3.95Å
86P93.1Very high93.4Very high4 Ų426.5 Ų26.53%0.02614%0.14CC..G310 helixtrans-57.5-23.9176.5-29.738.6000114.3L25 T55 S84 L88 L89 V135 L138L25-P86 HydrophobicContact CD1-CG 3.85Å; L25-P86 HydrophobicContact CD2-CB 3.84Å; L25-P86 HydrophobicContact CD2-CG 3.93Å; L25-P86 HydrophobicContact CG-CB 3.99Å; L25-P86 HydrophobicContact CG-CG 3.82Å; T55-P86 HydrophobicContact CG2-CG 3.52Å; S84-P86 VanDerWaalsContact C-CD 3.47Å; P86-L88 PolarHBondContact O-N 3.35Å; P86-L89 HydrophobicContact CB-CD1 4.45Å; P86-L89 PolarHBondContact O-N 2.7Å; P86-V135 HydrophobicContact CG-CG2 4.43Å; P86-L138 HydrophobicContact CG-CD1 4.42Å
87S92.4Very high93.3Very high9 Ų919.4 Ų19.46%0.06311%0.11CC..G310 helixtrans-66.7-16175.970.60000113.7S84 I85 K91S84-S87 WeakPolarHBondContact O-CB 3.25Å; S84-S87 PolarHBondContact O-N 2.88Å; S84-S87 VanDerWaalsContact O-N 3.09Å; S84-S87 PolarHBondContact O-OG 3.47Å; I85-S87 PolarHBondContact O-N 3.41Å; S87-K91 WeakPolarHBondContact O-CD 3.48Å; S87-K91 WeakPolarHBondContact O-CE 3.32Å; S87-K91 PolarHBondContact O-NZ 3.26Å
88L94.8Very high93.4Very high2 Ų217.6 Ų17.61%0.0110%0.097CC..G310 helixtrans-94.1-12.2-178.5-52.7-179.1000113.7I85 P86 G90 K91 V98 F101 L119 F121 V131I85-L88 HydrophobicContact CD1-CD1 4.15Å; I85-L88 WeakPolarHBondContact O-CB 3.46Å; I85-L88 PolarHBondContact O-N 3.29Å; P86-L88 PolarHBondContact O-N 3.35Å; L88-G90 PolarHBondContact O-N 3.13Å; L88-K91 PolarHBondContact O-N 3.49Å; L88-V98 HydrophobicContact CD2-CB 4.43Å; L88-V98 HydrophobicContact CD2-CG2 3.95Å; L88-F101 HydrophobicContact CD1-CD1 4.07Å; L88-F101 HydrophobicContact CD1-CD2 3.96Å; L88-F101 HydrophobicContact CD1-CE1 4.06Å; L88-F101 HydrophobicContact CD1-CE2 3.91Å; L88-F101 HydrophobicContact CD1-CG 4.04Å; L88-F101 HydrophobicContact CD1-CZ 3.98Å; L88-F101 HydrophobicContact CD2-CB 3.65Å; L88-F101 HydrophobicContact CD2-CD1 4.22Å; L88-F101 HydrophobicContact CD2-CD2 3.95Å; L88-F101 HydrophobicContact CD2-CG 3.68Å; L88-F101 HydrophobicContact CG-CD2 4.21Å; L88-F101 HydrophobicContact CG-CG 4.33Å; L88-L119 HydrophobicContact CB-CD1 4.09Å; L88-F121 HydrophobicContact CD1-CE2 4.02Å; L88-F121 HydrophobicContact CD1-CZ 3.67Å; L88-V131 HydrophobicContact CB-CG1 3.97Å; L88-V131 HydrophobicContact CB-CG2 3.98Å; L88-V131 HydrophobicContact CD1-CG2 4.11Å
89L92.4Very high93.3Very high1 Ų121.9 Ų21.91%0.00512%0.115CC..THydrogen-bonded Turntrans-58.2139-179.4-74.3168.1000111.3P86 K91 V131 V135 E169 R172 L173 V176P86-L89 HydrophobicContact CB-CD1 4.45Å; P86-L89 PolarHBondContact O-N 2.7Å; L89-K91 VanDerWaalsContact C-N 3.25Å; L89-K91 WeakPolarHBondContact O-CG 3.39Å; L89-K91 PolarHBondContact O-N 3.01Å; L89-K91 PolarHBondContact O-NZ 2.87Å; L89-V131 HydrophobicContact CD2-CG1 3.88Å; L89-V131 HydrophobicContact CG-CG1 4.16Å; L89-V135 HydrophobicContact CD1-CG1 4.15Å; L89-V135 HydrophobicContact CD1-CG2 4.04Å; L89-V135 HydrophobicContact CD2-CB 4.33Å; L89-V135 HydrophobicContact CD2-CG2 3.95Å; L89-V135 HydrophobicContact CG-CG2 4.02Å; L89-E169 WeakPolarHBondContact O-CG 3.49Å; L89-R172 HydrophobicContact CD2-CG 4.07Å; L89-L173 HydrophobicContact CD1-CD1 3.68Å; L89-V176 HydrophobicContact CD2-CG2 4Å
90G90.1Very high93.3Very high12 Ų1221.2 Ų21.212%0.12411%0.113CC..THydrogen-bonded Turntrans66.620174.700000114.9L88 F668L88-G90 PolarHBondContact O-N 3.13Å; G90-F668 VanDerWaalsContact CA-CE2 3.48Å
91K91.5Very high93.3Very high11 Ų1119.4 Ų19.45%0.04810%0.103CC..  trans-121.9145.8-172.1-68.4169.1-175.4780112.8S87 L88 L89 H95 M97 V98 L119 E169S87-K91 WeakPolarHBondContact O-CD 3.48Å; S87-K91 WeakPolarHBondContact O-CE 3.32Å; S87-K91 PolarHBondContact O-NZ 3.26Å; L88-K91 PolarHBondContact O-N 3.49Å; L89-K91 VanDerWaalsContact C-N 3.25Å; L89-K91 WeakPolarHBondContact O-CG 3.39Å; L89-K91 PolarHBondContact O-N 3.01Å; L89-K91 PolarHBondContact O-NZ 2.87Å; K91-H95 HydrophobicContact CB-CB 3.92Å; K91-H95 WeakPolarHBondContact CD-ND1 3.36Å; K91-H95 HydrophobicContact CG-CB 4.27Å; K91-M97 HydrophobicContact CD-CB 4.2Å; K91-V98 HydrophobicContact CB-CG2 3.78Å; K91-V98 HydrophobicContact CD-CG2 4.32Å; K91-L119 WeakPolarHBondContact O-CD1 3.42Å; K91-E169 IonicContact NZ-OE1 2.89Å; K91-E169 PolarHBondContact NZ-OE1 3.24Å
92S90.6Very high93.3Very high16 Ų1622.8 Ų22.811%0.11212%0.119CC..  trans-80.9166.4171.669.40000112.4D94 H95 V98S92-D94 PolarHBondContact O-N 3.31Å; S92-D94 VanDerWaalsContact O-N 3.15Å; S92-H95 VanDerWaalsContact O-CB 3.29Å; S92-H95 WeakPolarHBondContact O-CB 3.2Å; S92-H95 PolarHBondContact O-N 3.21Å; S92-H95 VanDerWaalsContact O-N 3.14Å; S92-V98 WeakPolarHBondContact O-CG2 3.24Å
93I92.2Very high93.2Very high44 Ų4429.6 Ų29.623%0.22615%0.151CC..THydrogen-bonded Turntrans-56.9-30.1177-161.463.6000113.5V98 L110 Y112 L119I93-V98 HydrophobicContact CD1-CG1 4.27Å; I93-L110 HydrophobicContact CD1-CD2 4.36Å; I93-L110 HydrophobicContact CD1-CG 4.27Å; I93-Y112 HydrophobicContact CB-CG 4.1Å; I93-Y112 HydrophobicContact CG2-CD1 4.36Å; I93-Y112 HydrophobicContact CG2-CG 4.39Å; I93-L119 HydrophobicContact CB-CD2 4.48Å; I93-L119 HydrophobicContact CD1-CD2 3.91Å
94D90.4Very high93.1Very high83 Ų8328.7 Ų28.744%0.44415%0.146SC..THydrogen-bonded Turntrans-86-9.1-176-83.6-56.8000114.3S92 K99 L505S92-D94 PolarHBondContact O-N 3.31Å; S92-D94 VanDerWaalsContact O-N 3.15Å; D94-K99 WeakPolarHBondContact O-CE 3.37Å; D94-K99 PolarHBondContact O-NZ 3.33Å; D94-K99 IonicContact OD1-NZ 3.06Å; D94-K99 PolarHBondContact OD1-NZ 3.04Å; D94-L505 HydrophobicContact CB-CD1 3.88Å
95H91.1Very high93.2Very high7 Ų729.1 Ų29.13%0.03215%0.147CC..SBendtrans-60.2135.6-178.2-170.6-81.2000110.8K91 S92 M97 V98 K99 F502K91-H95 HydrophobicContact CB-CB 3.92Å; K91-H95 WeakPolarHBondContact CD-ND1 3.36Å; K91-H95 HydrophobicContact CG-CB 4.27Å; S92-H95 VanDerWaalsContact O-CB 3.29Å; S92-H95 WeakPolarHBondContact O-CB 3.2Å; S92-H95 PolarHBondContact O-N 3.21Å; S92-H95 VanDerWaalsContact O-N 3.14Å; H95-M97 VanDerWaalsContact C-N 3.25Å; H95-M97 WeakPolarHBondContact ND1-CB 3.49Å; H95-M97 PolarHBondContact ND1-N 3.04Å; H95-M97 VanDerWaalsContact ND1-N 3.14Å; H95-M97 PolarHBondContact O-N 3.45Å; H95-M97 VanDerWaalsContact O-N 3.13Å; H95-V98 HydrophobicContact CB-CB 4.4Å; H95-V98 HydrophobicContact CB-CG2 4.01Å; H95-V98 WeakPolarHBondContact O-CA 3.36Å; H95-V98 WeakPolarHBondContact O-CB 3.42Å; H95-V98 PolarHBondContact O-N 3.5Å; H95-K99 PolarHBondContact O-N 3.41Å; H95-K99 VanDerWaalsContact O-N 3.08Å; H95-F502 PolarHBondContact NE2-O 2.93Å
96P91.8Very high93.2Very high32 Ų3232.8 Ų32.821%0.20817%0.171CC..Hα-helixtrans-55-37-176.2-27.834.4000114.3V98 K99 L100 R501 F502P96-V98 VanDerWaalsContact C-N 3.33Å; P96-V98 PolarHBondContact O-N 3.17Å; P96-K99 PolarHBondContact O-N 2.96Å; P96-L100 WeakPolarHBondContact O-CB 3.41Å; P96-L100 PolarHBondContact O-N 2.71Å; P96-R501 WeakPolarHBondContact CD-O 3.1Å; P96-R501 HydrophobicContact CG-CB 4.04Å; P96-R501 HydrophobicContact CG-CG 3.95Å; P96-R501 WeakPolarHBondContact CG-O 3.31Å; P96-F502 HydrophobicContact CB-CD1 4.1Å; P96-F502 HydrophobicContact CB-CE1 3.65Å; P96-F502 HydrophobicContact CB-CZ 4.18Å; P96-F502 HydrophobicContact CG-CD1 4.32Å; P96-F502 HydrophobicContact CG-CE1 4.25Å
97M91.9Very high93.2Very high12 Ų1234.3 Ų34.36%0.05918%0.176CC..Hα-helixtrans-66.5-31.5175.7-61.8-55.6-63.800113.6K91 H95 L100 F101 M221 T257 F502K91-M97 HydrophobicContact CD-CB 4.2Å; H95-M97 VanDerWaalsContact C-N 3.25Å; H95-M97 WeakPolarHBondContact ND1-CB 3.49Å; H95-M97 PolarHBondContact ND1-N 3.04Å; H95-M97 VanDerWaalsContact ND1-N 3.14Å; H95-M97 PolarHBondContact O-N 3.45Å; H95-M97 VanDerWaalsContact O-N 3.13Å; M97-L100 HydrophobicContact CE-CD2 4.29Å; M97-L100 HydrophobicContact SD-CD2 4.42Å; M97-F101 WeakPolarHBondContact O-CB 3.38Å; M97-F101 PolarHBondContact O-N 2.9Å; M97-M221 HydrophobicContact CE-CE 4.22Å; M97-M221 HydrophobicContact CE-CG 3.32Å; M97-M221 HydrophobicContact CE-SD 3.51Å; M97-M221 VanDerWaalsContact CE-SD 3.51Å; M97-T257 HydrophobicContact SD-CG2 3.87Å; M97-F502 HydrophobicContact CG-CD1 4.06Å; M97-F502 HydrophobicContact CG-CE1 4.17Å; M97-F502 HydrophobicContact SD-CD1 4.22Å; M97-F502 HydrophobicContact SD-CE1 3.82Å
98V94.9Very high93.4Very high0 Ų035 Ų350%018%0.178CC..Hα-helixtrans-74.2-40.5176.8178.60000109.9L88 K91 S92 I93 H95 P96 F101 Q102 L110 L119L88-V98 HydrophobicContact CD2-CB 4.43Å; L88-V98 HydrophobicContact CD2-CG2 3.95Å; K91-V98 HydrophobicContact CB-CG2 3.78Å; K91-V98 HydrophobicContact CD-CG2 4.32Å; S92-V98 WeakPolarHBondContact O-CG2 3.24Å; I93-V98 HydrophobicContact CD1-CG1 4.27Å; H95-V98 HydrophobicContact CB-CB 4.4Å; H95-V98 HydrophobicContact CB-CG2 4.01Å; H95-V98 WeakPolarHBondContact O-CA 3.36Å; H95-V98 WeakPolarHBondContact O-CB 3.42Å; H95-V98 PolarHBondContact O-N 3.5Å; P96-V98 VanDerWaalsContact C-N 3.33Å; P96-V98 PolarHBondContact O-N 3.17Å; V98-F101 WeakPolarHBondContact O-CB 3.36Å; V98-F101 PolarHBondContact O-N 3.45Å; V98-Q102 WeakPolarHBondContact O-CG 3.37Å; V98-Q102 PolarHBondContact O-N 3.08Å; V98-L110 HydrophobicContact CG1-CD2 3.73Å; V98-L119 HydrophobicContact CG1-CD1 4.22Å; V98-L119 HydrophobicContact CG1-CD2 4.42Å; V98-L119 HydrophobicContact CG2-CD1 3.82Å
99K95.3Very high93.5Very high92 Ų9239.4 Ų39.440%0.420%0.202SC..Hα-helixtrans-59.5-47.3171.7-69.2177.9171.7153.80111.5D94 H95 P96 F101 Q102 E103D94-K99 WeakPolarHBondContact O-CE 3.37Å; D94-K99 PolarHBondContact O-NZ 3.33Å; D94-K99 IonicContact OD1-NZ 3.06Å; D94-K99 PolarHBondContact OD1-NZ 3.04Å; H95-K99 PolarHBondContact O-N 3.41Å; H95-K99 VanDerWaalsContact O-N 3.08Å; P96-K99 PolarHBondContact O-N 2.96Å; K99-F101 VanDerWaalsContact C-N 3.29Å; K99-F101 PolarHBondContact O-N 3.4Å; K99-Q102 PolarHBondContact O-N 3.4Å; K99-Q102 VanDerWaalsContact O-N 3.15Å; K99-E103 WeakPolarHBondContact O-CG 3.49Å; K99-E103 PolarHBondContact O-N 2.84Å
100L94.4Very high93.7Very high30 Ų3040.2 Ų40.216%0.15721%0.206CC..Hα-helixtrans-60.2-39.1175.5-176.560.9000112.1P96 M97 E103 R104 M221 T257P96-L100 WeakPolarHBondContact O-CB 3.41Å; P96-L100 PolarHBondContact O-N 2.71Å; M97-L100 HydrophobicContact CE-CD2 4.29Å; M97-L100 HydrophobicContact SD-CD2 4.42Å; L100-E103 PolarHBondContact O-N 3.36Å; L100-R104 WeakPolarHBondContact O-CB 3.36Å; L100-R104 VanDerWaalsContact O-CG 3.26Å; L100-R104 WeakPolarHBondContact O-CG 3.44Å; L100-R104 PolarHBondContact O-N 2.95Å; L100-R104 VanDerWaalsContact O-N 3.14Å; L100-M221 HydrophobicContact CD2-SD 4.11Å; L100-T257 HydrophobicContact CD2-CG2 4.38Å
101F95.7Very high94Very high5 Ų542 Ų422%0.02222%0.217CC..Hα-helixtrans-62.3-47.2173.5174.4-83.8000111.8Q83 I85 L88 M97 V98 K99 E103 R104 Y105 H108 L110 F121Q83-F101 VanDerWaalsContact O-CE2 3.31Å; Q83-F101 WeakPolarHBondContact O-CE2 3.49Å; I85-F101 HydrophobicContact CD1-CE2 3.91Å; I85-F101 HydrophobicContact CD1-CZ 3.94Å; L88-F101 HydrophobicContact CD1-CD1 4.07Å; L88-F101 HydrophobicContact CD1-CD2 3.96Å; L88-F101 HydrophobicContact CD1-CE1 4.06Å; L88-F101 HydrophobicContact CD1-CE2 3.91Å; L88-F101 HydrophobicContact CD1-CG 4.04Å; L88-F101 HydrophobicContact CD1-CZ 3.98Å; L88-F101 HydrophobicContact CD2-CB 3.65Å; L88-F101 HydrophobicContact CD2-CD1 4.22Å; L88-F101 HydrophobicContact CD2-CD2 3.95Å; L88-F101 HydrophobicContact CD2-CG 3.68Å; L88-F101 HydrophobicContact CG-CD2 4.21Å; L88-F101 HydrophobicContact CG-CG 4.33Å; M97-F101 WeakPolarHBondContact O-CB 3.38Å; M97-F101 PolarHBondContact O-N 2.9Å; V98-F101 WeakPolarHBondContact O-CB 3.36Å; V98-F101 PolarHBondContact O-N 3.45Å; K99-F101 VanDerWaalsContact C-N 3.29Å; K99-F101 PolarHBondContact O-N 3.4Å; F101-E103 VanDerWaalsContact C-N 3.31Å; F101-E103 PolarHBondContact O-N 3.49Å; F101-R104 PolarHBondContact O-N 3.39Å; F101-Y105 HydrophobicContact CD1-CD2 4.4Å; F101-Y105 AromaticContact CD2-CD2 3.47Å; F101-Y105 HydrophobicContact CD2-CD2 3.47Å; F101-Y105 VanDerWaalsContact CD2-CD2 3.47Å; F101-Y105 AromaticContact CD2-CE2 3.78Å; F101-Y105 HydrophobicContact CD2-CE2 3.78Å; F101-Y105 HydrophobicContact CE1-CD2 4.35Å; F101-Y105 AromaticContact CE2-CD2 3.43Å; F101-Y105 HydrophobicContact CE2-CD2 3.43Å; F101-Y105 VanDerWaalsContact CE2-CD2 3.43Å; F101-Y105 AromaticContact CE2-CE2 3.81Å; F101-Y105 HydrophobicContact CE2-CE2 3.81Å; F101-Y105 HydrophobicContact CE2-CG 4.11Å; F101-Y105 AromaticContact CG-CD2 3.97Å; F101-Y105 HydrophobicContact CG-CD2 3.97Å; F101-Y105 AromaticContact CZ-CD2 3.88Å; F101-Y105 HydrophobicContact CZ-CD2 3.88Å; F101-Y105 HydrophobicContact CZ-CG 4.17Å; F101-Y105 WeakPolarHBondContact O-CD2 3.46Å; F101-Y105 PolarHBondContact O-N 3Å; F101-H108 AromaticContact CZ-CD2 3.78Å; F101-L110 HydrophobicContact CD1-CD2 4.31Å; F101-F121 AromaticContact CE1-CE1 3.71Å; F101-F121 HydrophobicContact CE1-CE1 3.71Å; F101-F121 AromaticContact CE1-CZ 3.66Å; F101-F121 HydrophobicContact CE1-CZ 3.66Å; F101-F121 AromaticContact CZ-CE1 3.93Å; F101-F121 HydrophobicContact CZ-CE1 3.93Å; F101-F121 AromaticContact CZ-CZ 3.62Å; F101-F121 HydrophobicContact CZ-CZ 3.62Å
102Q96.2Very high94.2Very high71 Ų7145.4 Ų45.433%0.33223%0.23SC..Hα-helixtrans-61.3-37.6178.7-71.4175-47.200112.3V98 K99 R104 Y105 P106 L110V98-Q102 WeakPolarHBondContact O-CG 3.37Å; V98-Q102 PolarHBondContact O-N 3.08Å; K99-Q102 PolarHBondContact O-N 3.4Å; K99-Q102 VanDerWaalsContact O-N 3.15Å; Q102-R104 VanDerWaalsContact C-N 3.31Å; Q102-R104 PolarHBondContact O-N 3.29Å; Q102-Y105 CarbonylContact O-C 3.29Å; Q102-P106 VanDerWaalsContact O-CA 3.25Å; Q102-P106 WeakPolarHBondContact O-CA 3.13Å; Q102-L110 HydrophobicContact CG-CD2 4.07Å
103E94.8Very high94.3Very high144 Ų14447.3 Ų47.367%0.67324%0.239SC*.Hα-helixtrans-63.2-37.5173.2-71.1175.3-172.500112.5K99 L100 F101K99-E103 WeakPolarHBondContact O-CG 3.49Å; K99-E103 PolarHBondContact O-N 2.84Å; L100-E103 PolarHBondContact O-N 3.36Å; F101-E103 VanDerWaalsContact C-N 3.31Å; F101-E103 PolarHBondContact O-N 3.49Å
104R94.1Very high94.1Very high21 Ų2149 Ų498%0.07926%0.259CS..Hα-helixtrans-80.9-30.9-176.8-76-174.5-178.9163.98.7113.4L100 F101 Q102 P106 M221 Y265L100-R104 WeakPolarHBondContact O-CB 3.36Å; L100-R104 VanDerWaalsContact O-CG 3.26Å; L100-R104 WeakPolarHBondContact O-CG 3.44Å; L100-R104 PolarHBondContact O-N 2.95Å; L100-R104 VanDerWaalsContact O-N 3.14Å; F101-R104 PolarHBondContact O-N 3.39Å; Q102-R104 VanDerWaalsContact C-N 3.31Å; Q102-R104 PolarHBondContact O-N 3.29Å; R104-P106 VanDerWaalsContact C-CD 3.47Å; R104-M221 PolarHBondContact NH1-SD 2.94Å; R104-Y265 HydrophobicContact CB-CE1 3.84Å; R104-Y265 HydrophobicContact CB-CE2 4.47Å; R104-Y265 VanDerWaalsContact CB-OH 3.32Å; R104-Y265 WeakPolarHBondContact CB-OH 3.38Å; R104-Y265 HydrophobicContact CG-CD1 4.12Å; R104-Y265 HydrophobicContact CG-CE1 3.55Å; R104-Y265 HydrophobicContact CG-CE2 4.03Å; R104-Y265 PolarHBondContact O-OH 3.19Å; R104-Y265 VanDerWaalsContact O-OH 3.13Å
105Y95.1Very high93.9Very high12 Ų1250.8 Ų50.85%0.04727%0.273CS..  trans-129.859.8-176.5-53.2-82.4000111.6Q83 S84 F101 Q102 Y107 H108Q83-Y105 HydrophobicContact CB-CE1 3.92Å; S84-Y105 PolarHBondContact OG-OH 3.49Å; F101-Y105 HydrophobicContact CD1-CD2 4.4Å; F101-Y105 AromaticContact CD2-CD2 3.47Å; F101-Y105 HydrophobicContact CD2-CD2 3.47Å; F101-Y105 VanDerWaalsContact CD2-CD2 3.47Å; F101-Y105 AromaticContact CD2-CE2 3.78Å; F101-Y105 HydrophobicContact CD2-CE2 3.78Å; F101-Y105 HydrophobicContact CE1-CD2 4.35Å; F101-Y105 AromaticContact CE2-CD2 3.43Å; F101-Y105 HydrophobicContact CE2-CD2 3.43Å; F101-Y105 VanDerWaalsContact CE2-CD2 3.43Å; F101-Y105 AromaticContact CE2-CE2 3.81Å; F101-Y105 HydrophobicContact CE2-CE2 3.81Å; F101-Y105 HydrophobicContact CE2-CG 4.11Å; F101-Y105 AromaticContact CG-CD2 3.97Å; F101-Y105 HydrophobicContact CG-CD2 3.97Å; F101-Y105 AromaticContact CZ-CD2 3.88Å; F101-Y105 HydrophobicContact CZ-CD2 3.88Å; F101-Y105 HydrophobicContact CZ-CG 4.17Å; F101-Y105 WeakPolarHBondContact O-CD2 3.46Å; F101-Y105 PolarHBondContact O-N 3Å; Q102-Y105 CarbonylContact O-C 3.29Å; Y105-Y107 HydrophobicContact CD1-CE2 4.37Å; Y105-Y107 AromaticContact CD1-CZ 3.94Å; Y105-Y107 WeakPolarHBondContact CD1-OH 3.17Å; Y105-Y107 PolarHBondContact O-N 3.14Å; Y105-H108 PolarHBondContact O-N 3.44Å
106P94.7Very high93.6Very high80 Ų8050.8 Ų50.852%0.51927%0.274SS..THydrogen-bonded Turntrans-70.3-4.5-169.330.3-38.4000114.6Q102 R104Q102-P106 VanDerWaalsContact O-CA 3.25Å; Q102-P106 WeakPolarHBondContact O-CA 3.13Å; R104-P106 VanDerWaalsContact C-CD 3.47Å
107Y93.6Very high93.3Very high36 Ų3649.3 Ų49.314%0.14127%0.265CS..THydrogen-bonded Turntrans-87.5-917942-104.1000113.8P78 Y105 H290P78-Y107 VanDerWaalsContact C-CE2 3.49Å; P78-Y107 HydrophobicContact CB-CD1 4.22Å; P78-Y107 HydrophobicContact CB-CD2 4.37Å; P78-Y107 HydrophobicContact CB-CE1 3.77Å; P78-Y107 HydrophobicContact CB-CE2 3.93Å; P78-Y107 HydrophobicContact CB-CG 4.47Å; P78-Y107 HydrophobicContact CG-CE1 4.49Å; P78-Y107 WeakPolarHBondContact O-CE2 3.29Å; Y105-Y107 HydrophobicContact CD1-CE2 4.37Å; Y105-Y107 AromaticContact CD1-CZ 3.94Å; Y105-Y107 WeakPolarHBondContact CD1-OH 3.17Å; Y105-Y107 PolarHBondContact O-N 3.14Å; Y107-H290 HydrophobicContact CD1-CB 3.77Å; Y107-H290 AromaticContact CD1-CG 3.75Å; Y107-H290 AromaticContact CD1-ND1 3.74Å; Y107-H290 HydrophobicContact CE1-CB 4.47Å; Y107-H290 HydrophobicContact CG-CB 4.39Å
108H96.5Very high93.3Very high23 Ų2349 Ų4911%0.10626%0.263CS..SBendtrans-85.4134.9176.1-70-48.7000111.4E79 V81 F82 F101 Y105 L110 F121E79-H108 PolarHBondContact O-ND1 2.84Å; V81-H108 PolarHBondContact O-CE1 3.31Å; V81-H108 PolarHBondContact O-NE2 3.42Å; V81-H108 VanDerWaalsContact O-NE2 3.11Å; F82-H108 AromaticContact CD1-CE1 3.57Å; F82-H108 AromaticContact CD1-ND1 3.91Å; F82-H108 AromaticContact CD1-NE2 3.93Å; F82-H108 AromaticContact CE1-CE1 3.69Å; F82-H108 AromaticContact CE1-ND1 3.62Å; F101-H108 AromaticContact CZ-CD2 3.78Å; Y105-H108 PolarHBondContact O-N 3.44Å; H108-L110 PolarHBondContact O-N 3.46Å; H108-F121 HydrophobicContact CB-CD1 3.82Å; H108-F121 HydrophobicContact CB-CE1 3.69Å; H108-F121 AromaticContact CG-CE1 3.96Å
109N95.9Very high93.4Very high95 Ų9549.2 Ų49.251%0.50826%0.264SS..EExtended strand (participates in β ladder)trans-85.494169.4-175.63.9000109.4F121 T122N109-F121 CarbonylContact O-C 3.59Å; N109-F121 VanDerWaalsContact O-CA 3.31Å; N109-F121 WeakPolarHBondContact O-CA 3.44Å; N109-T122 PolarHBondContact O-N 2.84Å
110L97Very high93.5Very high18 Ų1847.1 Ų47.19%0.09426%0.255CS..EExtended strand (participates in β ladder)trans-102127.1-179.2-175.362.7000110.6I93 V98 F101 Q102 H108 L119 F120 F121I93-L110 HydrophobicContact CD1-CD2 4.36Å; I93-L110 HydrophobicContact CD1-CG 4.27Å; V98-L110 HydrophobicContact CG1-CD2 3.73Å; F101-L110 HydrophobicContact CD1-CD2 4.31Å; Q102-L110 HydrophobicContact CG-CD2 4.07Å; H108-L110 PolarHBondContact O-N 3.46Å; L110-L119 HydrophobicContact CD1-CB 3.97Å; L110-L119 HydrophobicContact CD1-CD2 4.16Å; L110-L119 HydrophobicContact CD2-CD2 4.33Å; L110-L119 HydrophobicContact CG-CD2 4.18Å; L110-F120 CarbonylContact C-O 3.53Å; L110-F120 WeakPolarHBondContact CA-O 3.45Å; L110-F121 HydrophobicContact CB-CD1 4.35Å; L110-F121 HydrophobicContact CB-CE1 4.12Å; L110-F121 HydrophobicContact CD1-CD1 3.94Å; L110-F121 HydrophobicContact CD1-CD2 4.29Å; L110-F121 HydrophobicContact CD1-CE1 3.68Å; L110-F121 HydrophobicContact CD1-CE2 4.04Å; L110-F121 HydrophobicContact CD1-CG 4.26Å; L110-F121 HydrophobicContact CD1-CZ 3.73Å; L110-F121 HydrophobicContact CG-CE1 4.33Å
111S96.6Very high93.6Very high49 Ų4945.7 Ų45.734%0.34325%0.248SC..EExtended strand (participates in β ladder)trans-127166.8177.361.40000110.9L119 F120S111-L119 CarbonylContact O-C 3.44Å; S111-L119 WeakPolarHBondContact O-CA 3.29Å; S111-F120 PolarHBondContact N-O 3.37Å; S111-F120 PolarHBondContact O-N 2.96Å; S111-F120 PolarHBondContact OG-O 3.11Å
112Y95Very high93.7Very high83 Ų8347.7 Ų47.733%0.32526%0.26SS..EExtended strand (participates in β ladder)trans-133.1131.3-178.9176.3-104.7000110.3I93 A114 G117 Q118 L119I93-Y112 HydrophobicContact CB-CG 4.1Å; I93-Y112 HydrophobicContact CG2-CD1 4.36Å; I93-Y112 HydrophobicContact CG2-CG 4.39Å; Y112-A114 HydrophobicContact CD1-CB 4.44Å; Y112-A114 HydrophobicContact CE1-CB 3.92Å; Y112-G117 WeakPolarHBondContact CE2-O 3.49Å; Y112-Q118 WeakPolarHBondContact CA-O 3.47Å; Y112-L119 HydrophobicContact CD2-CD2 3.93Å; Y112-L119 HydrophobicContact CD2-CG 4.25Å; Y112-L119 HydrophobicContact CG-CD2 4.43Å
113D92.9Very high93.5Very high57 Ų5745 Ų4531%0.30525%0.248SC..  trans-100.3111.5170.417322.5000109.2T115 S116 G117 Q118 F120D113-T115 PolarHBondContact O-N 3.45Å; D113-T115 WeakPolarHBondContact OD1-CB 3.36Å; D113-T115 PolarHBondContact OD1-N 2.96Å; D113-T115 PolarHBondContact OD1-OG1 3.47Å; D113-S116 WeakPolarHBondContact CB-OG 3.46Å; D113-S116 VanDerWaalsContact OD2-CB 3.27Å; D113-S116 WeakPolarHBondContact OD2-CB 3.28Å; D113-S116 PolarHBondContact OD2-N 3.21Å; D113-S116 PolarHBondContact OD2-OG 3.42Å; D113-G117 CarbonylContact O-C 3.48Å; D113-G117 VanDerWaalsContact O-CA 3.28Å; D113-G117 WeakPolarHBondContact O-CA 3.16Å; D113-G117 PolarHBondContact O-N 3.31Å; D113-Q118 PolarHBondContact N-O 2.89Å; D113-Q118 PolarHBondContact O-N 2.94Å; D113-F120 HydrophobicContact CB-CD2 4.31Å; D113-F120 HydrophobicContact CB-CE2 3.77Å
114A87.5Confident93.2Very high79 Ų7946 Ų4665%0.65325%0.25SS*.THydrogen-bonded Turntrans-65.6-20.8179.200000113.4Y112Y112-A114 HydrophobicContact CD1-CB 4.44Å; Y112-A114 HydrophobicContact CE1-CB 3.92Å
115T86.5Confident92.9Very high120 Ų12050.2 Ų50.274%0.73627%0.274SS*.THydrogen-bonded Turntrans-75.7-50.5-179.2-43.20000110.9D113D113-T115 PolarHBondContact O-N 3.45Å; D113-T115 WeakPolarHBondContact OD1-CB 3.36Å; D113-T115 PolarHBondContact OD1-N 2.96Å; D113-T115 PolarHBondContact OD1-OG1 3.47Å
116S85.4Confident92.8Very high7 Ų751.9 Ų51.95%0.04930%0.295CS..THydrogen-bonded Turntrans-86-13.1178.162.70000113.7D113 Q118 F668 E675D113-S116 WeakPolarHBondContact CB-OG 3.46Å; D113-S116 VanDerWaalsContact OD2-CB 3.27Å; D113-S116 WeakPolarHBondContact OD2-CB 3.28Å; D113-S116 PolarHBondContact OD2-N 3.21Å; D113-S116 PolarHBondContact OD2-OG 3.42Å; S116-Q118 PolarHBondContact O-N 2.98Å; S116-Q118 PolarHBondContact OG-N 3.49Å; S116-F668 WeakPolarHBondContact O-CE1 3.4Å; S116-E675 WeakPolarHBondContact CB-OE1 3.34Å
117G86.2Confident92.7Very high1 Ų150.7 Ų50.71%0.0129%0.287CS..  trans723.1-172.100000113.8Y112 D113 F668Y112-G117 WeakPolarHBondContact CE2-O 3.49Å; D113-G117 CarbonylContact O-C 3.48Å; D113-G117 VanDerWaalsContact O-CA 3.28Å; D113-G117 WeakPolarHBondContact O-CA 3.16Å; D113-G117 PolarHBondContact O-N 3.31Å; G117-F668 WeakPolarHBondContact O-CE2 3.45Å; G117-F668 WeakPolarHBondContact O-CZ 3.39Å
118Q91.9Very high92.8Very high7 Ų751.8 Ų51.83%0.03330%0.297CS..  trans-89149.3-170.9-69.9179.873.900113.2Y112 D113 S116 F120 S130 F668 L671Y112-Q118 WeakPolarHBondContact CA-O 3.47Å; D113-Q118 PolarHBondContact N-O 2.89Å; D113-Q118 PolarHBondContact O-N 2.94Å; S116-Q118 PolarHBondContact O-N 2.98Å; S116-Q118 PolarHBondContact OG-N 3.49Å; Q118-F120 HydrophobicContact CB-CD2 4.31Å; Q118-F120 HydrophobicContact CB-CE2 3.55Å; Q118-F120 HydrophobicContact CB-CZ 3.82Å; Q118-S130 VanDerWaalsContact OE1-CB 3.29Å; Q118-S130 PolarHBondContact OE1-OG 3.29Å; Q118-F668 HydrophobicContact CG-CZ 4.38Å; Q118-L671 VanDerWaalsContact NE2-CD2 3.25Å
119L95.9Very high92.8Very high4 Ų451 Ų512%0.02129%0.293CS..EExtended strand (participates in β ladder)trans-93.7137.6167.9-74169000110.1L88 K91 I93 V98 L110 S111 Y112 S130 V131L88-L119 HydrophobicContact CB-CD1 4.09Å; K91-L119 WeakPolarHBondContact O-CD1 3.42Å; I93-L119 HydrophobicContact CB-CD2 4.48Å; I93-L119 HydrophobicContact CD1-CD2 3.91Å; V98-L119 HydrophobicContact CG1-CD1 4.22Å; V98-L119 HydrophobicContact CG1-CD2 4.42Å; V98-L119 HydrophobicContact CG2-CD1 3.82Å; L110-L119 HydrophobicContact CD1-CB 3.97Å; L110-L119 HydrophobicContact CD1-CD2 4.16Å; L110-L119 HydrophobicContact CD2-CD2 4.33Å; L110-L119 HydrophobicContact CG-CD2 4.18Å; S111-L119 CarbonylContact O-C 3.44Å; S111-L119 WeakPolarHBondContact O-CA 3.29Å; Y112-L119 HydrophobicContact CD2-CD2 3.93Å; Y112-L119 HydrophobicContact CD2-CG 4.25Å; Y112-L119 HydrophobicContact CG-CD2 4.43Å; L119-S130 CarbonylContact O-C 3.54Å; L119-S130 WeakPolarHBondContact O-CA 3.48Å; L119-V131 HydrophobicContact CB-CB 4.42Å; L119-V131 HydrophobicContact CB-CG2 3.59Å; L119-V131 HydrophobicContact CD1-CG2 4.43Å; L119-V131 PolarHBondContact O-N 3.3Å
120F97.3Very high92.8Very high47 Ų4746.5 Ų46.521%0.20627%0.269CS..EExtended strand (participates in β ladder)trans-127.6132.1-177.6-66-90.1000112.3L110 S111 D113 Q118 V128 F129L110-F120 CarbonylContact C-O 3.53Å; L110-F120 WeakPolarHBondContact CA-O 3.45Å; S111-F120 PolarHBondContact N-O 3.37Å; S111-F120 PolarHBondContact O-N 2.96Å; S111-F120 PolarHBondContact OG-O 3.11Å; D113-F120 HydrophobicContact CB-CD2 4.31Å; D113-F120 HydrophobicContact CB-CE2 3.77Å; Q118-F120 HydrophobicContact CB-CD2 4.31Å; Q118-F120 HydrophobicContact CB-CE2 3.55Å; Q118-F120 HydrophobicContact CB-CZ 3.82Å; F120-V128 HydrophobicContact CB-CG1 3.86Å; F120-V128 HydrophobicContact CD1-CG1 3.74Å; F120-V128 HydrophobicContact CG-CG1 4.17Å; F120-F129 CarbonylContact C-O 3.56Å; F120-F129 WeakPolarHBondContact CA-O 3.44Å
121F97.3Very high92.8Very high1 Ų145.7 Ų45.70%0.00427%0.265CS..EExtended strand (participates in β ladder)trans-95131.3169-69.7-75.3000110.8F82 I85 L88 F101 H108 N109 L110 V128 F129 V131 L134F82-F121 HydrophobicContact CD1-CB 4.45Å; F82-F121 HydrophobicContact CD1-CD1 4.06Å; F82-F121 HydrophobicContact CD1-CD2 4.06Å; F82-F121 HydrophobicContact CD1-CE1 4.27Å; F82-F121 HydrophobicContact CD1-CE2 4.27Å; F82-F121 AromaticContact CD1-CG 3.93Å; F82-F121 HydrophobicContact CD1-CG 3.93Å; F82-F121 HydrophobicContact CD1-CZ 4.37Å; F82-F121 HydrophobicContact CE1-CB 3.55Å; F82-F121 AromaticContact CE1-CD1 3.62Å; F82-F121 HydrophobicContact CE1-CD1 3.62Å; F82-F121 AromaticContact CE1-CD2 3.98Å; F82-F121 HydrophobicContact CE1-CD2 3.98Å; F82-F121 HydrophobicContact CE1-CE1 4.26Å; F82-F121 AromaticContact CE1-CG 3.43Å; F82-F121 HydrophobicContact CE1-CG 3.43Å; F82-F121 VanDerWaalsContact CE1-CG 3.43Å; F82-F121 HydrophobicContact CZ-CB 3.99Å; F82-F121 HydrophobicContact CZ-CG 4.34Å; I85-F121 HydrophobicContact CD1-CE2 3.79Å; I85-F121 HydrophobicContact CD1-CZ 3.83Å; L88-F121 HydrophobicContact CD1-CE2 4.02Å; L88-F121 HydrophobicContact CD1-CZ 3.67Å; F101-F121 AromaticContact CE1-CE1 3.71Å; F101-F121 HydrophobicContact CE1-CE1 3.71Å; F101-F121 AromaticContact CE1-CZ 3.66Å; F101-F121 HydrophobicContact CE1-CZ 3.66Å; F101-F121 AromaticContact CZ-CE1 3.93Å; F101-F121 HydrophobicContact CZ-CE1 3.93Å; F101-F121 AromaticContact CZ-CZ 3.62Å; F101-F121 HydrophobicContact CZ-CZ 3.62Å; H108-F121 HydrophobicContact CB-CD1 3.82Å; H108-F121 HydrophobicContact CB-CE1 3.69Å; H108-F121 AromaticContact CG-CE1 3.96Å; N109-F121 CarbonylContact O-C 3.59Å; N109-F121 VanDerWaalsContact O-CA 3.31Å; N109-F121 WeakPolarHBondContact O-CA 3.44Å; L110-F121 HydrophobicContact CB-CD1 4.35Å; L110-F121 HydrophobicContact CB-CE1 4.12Å; L110-F121 HydrophobicContact CD1-CD1 3.94Å; L110-F121 HydrophobicContact CD1-CD2 4.29Å; L110-F121 HydrophobicContact CD1-CE1 3.68Å; L110-F121 HydrophobicContact CD1-CE2 4.04Å; L110-F121 HydrophobicContact CD1-CG 4.26Å; L110-F121 HydrophobicContact CD1-CZ 3.73Å; L110-F121 HydrophobicContact CG-CE1 4.33Å; F121-V128 CarbonylContact O-C 3.48Å; F121-V128 VanDerWaalsContact O-CA 3.24Å; F121-V128 WeakPolarHBondContact O-CA 3.5Å; F121-F129 PolarHBondContact N-O 3.39Å; F121-F129 PolarHBondContact O-N 3.37Å; F121-V131 HydrophobicContact CD2-CG2 4.4Å; F121-V131 HydrophobicContact CE2-CG2 3.84Å; F121-L134 HydrophobicContact CD2-CD1 3.54Å; F121-L134 HydrophobicContact CE2-CD1 3.94Å; F121-L134 HydrophobicContact CG-CD1 4.47Å
122T96.6Very high92.8Very high46 Ų4643.5 Ų43.528%0.28225%0.25SC..EExtended strand (participates in β ladder)trans-107.6117.2171.7-54.60000110N109 V128N109-T122 PolarHBondContact O-N 2.84Å; T122-V128 HydrophobicContact CG2-CG2 4.17Å
123L92.6Very high92.9Very high15 Ų1540 Ų408%0.07924%0.236CC..  trans-71.4162.3172.7-70176.2000111F59 F82 D125 G126 V127 F129F59-L123 HydrophobicContact CD2-CD1 4.36Å; F59-L123 HydrophobicContact CG-CD1 4.32Å; F82-L123 HydrophobicContact CE2-CD2 3.84Å; F82-L123 HydrophobicContact CZ-CD2 3.56Å; F82-L123 HydrophobicContact CZ-CG 4.27Å; L123-D125 WeakPolarHBondContact CB-OD1 3.41Å; L123-D125 PolarHBondContact O-N 2.87Å; L123-G126 PolarHBondContact O-N 3.42Å; L123-V127 HydrophobicContact CB-CB 4.38Å; L123-V127 WeakPolarHBondContact CB-O 3.29Å; L123-V127 HydrophobicContact CD1-CB 4.18Å; L123-V127 HydrophobicContact CD1-CG1 4.43Å; L123-V127 PolarHBondContact N-O 3.28Å; L123-F129 HydrophobicContact CD1-CD2 4.07Å; L123-F129 HydrophobicContact CD1-CE2 3.75Å
124K88.5Confident93.1Very high165 Ų16537.3 Ų37.372%0.71722%0.222SC*.THydrogen-bonded Turntrans-61.9-27.4-177.4-74.2-178.2173.6176.10113.9E79E79-K124 HydrophobicContact CG-CD 4.26Å; E79-K124 IonicContact OE1-NZ 2.69Å; E79-K124 PolarHBondContact OE1-NZ 3.29Å
125D88.8Confident93.6Very high109 Ų10933.6 Ų33.658%0.58319%0.191SC*.THydrogen-bonded Turntrans-81.90176.158.94.9000113.3L123 V127L123-D125 WeakPolarHBondContact CB-OD1 3.41Å; L123-D125 PolarHBondContact O-N 2.87Å; D125-V127 WeakPolarHBondContact OD1-CB 3.5Å; D125-V127 WeakPolarHBondContact OD1-CG2 3.44Å; D125-V127 PolarHBondContact OD1-N 3.16Å
126G92.4Very high94.1Very high47 Ų4727.9 Ų27.949%0.48516%0.156SC..SBendtrans88.6-0.3-179.500000114.3L123 V128L123-G126 PolarHBondContact O-N 3.42Å; G126-V128 PolarHBondContact O-N 2.9Å
127V92.5Very high94.7Very high56 Ų5627.5 Ų27.534%0.33915%0.153SC..  trans-68.7121.9174.1179.20000109.1L123 D125 F129L123-V127 HydrophobicContact CB-CB 4.38Å; L123-V127 WeakPolarHBondContact CB-O 3.29Å; L123-V127 HydrophobicContact CD1-CB 4.18Å; L123-V127 HydrophobicContact CD1-CG1 4.43Å; L123-V127 PolarHBondContact N-O 3.28Å; D125-V127 WeakPolarHBondContact OD1-CB 3.5Å; D125-V127 WeakPolarHBondContact OD1-CG2 3.44Å; D125-V127 PolarHBondContact OD1-N 3.16Å; V127-F129 HydrophobicContact CG1-CD2 4.04Å; V127-F129 HydrophobicContact CG1-CE1 4.41Å; V127-F129 HydrophobicContact CG1-CE2 3.43Å; V127-F129 VanDerWaalsContact CG1-CE2 3.43Å; V127-F129 HydrophobicContact CG1-CZ 3.65Å
128V95.7Very high95.2Very high59 Ų5927.6 Ų27.636%0.35815%0.154SC..EExtended strand (participates in β ladder)trans-98.5134.5178.9-178.90000108.7F120 F121 T122 G126 K682F120-V128 HydrophobicContact CB-CG1 3.86Å; F120-V128 HydrophobicContact CD1-CG1 3.74Å; F120-V128 HydrophobicContact CG-CG1 4.17Å; F121-V128 CarbonylContact O-C 3.48Å; F121-V128 VanDerWaalsContact O-CA 3.24Å; F121-V128 WeakPolarHBondContact O-CA 3.5Å; T122-V128 HydrophobicContact CG2-CG2 4.17Å; G126-V128 PolarHBondContact O-N 2.9Å; V128-K682 PolarHBondContact O-NZ 3.04Å
129F96.2Very high95.5Very high6 Ų627.3 Ų27.33%0.02615%0.152CC..EExtended strand (participates in β ladder)trans-124.3135.4170-72.2-71000110.9F59 F120 F121 L123 V127 E133 L134 M137 K682 L686F59-F129 HydrophobicContact CD1-CE2 4.36Å; F59-F129 AromaticContact CE1-CE2 3.68Å; F59-F129 HydrophobicContact CE1-CE2 3.68Å; F59-F129 AromaticContact CE1-CZ 3.69Å; F59-F129 HydrophobicContact CE1-CZ 3.69Å; F59-F129 HydrophobicContact CE2-CD2 4.31Å; F59-F129 HydrophobicContact CE2-CE2 4.07Å; F59-F129 HydrophobicContact CZ-CD2 4.03Å; F59-F129 HydrophobicContact CZ-CE1 4.45Å; F59-F129 AromaticContact CZ-CE2 3.51Å; F59-F129 HydrophobicContact CZ-CE2 3.51Å; F59-F129 AromaticContact CZ-CZ 3.77Å; F59-F129 HydrophobicContact CZ-CZ 3.77Å; F120-F129 CarbonylContact C-O 3.56Å; F120-F129 WeakPolarHBondContact CA-O 3.44Å; F121-F129 PolarHBondContact N-O 3.39Å; F121-F129 PolarHBondContact O-N 3.37Å; L123-F129 HydrophobicContact CD1-CD2 4.07Å; L123-F129 HydrophobicContact CD1-CE2 3.75Å; V127-F129 HydrophobicContact CG1-CD2 4.04Å; V127-F129 HydrophobicContact CG1-CE1 4.41Å; V127-F129 HydrophobicContact CG1-CE2 3.43Å; V127-F129 VanDerWaalsContact CG1-CE2 3.43Å; V127-F129 HydrophobicContact CG1-CZ 3.65Å; F129-E133 VanDerWaalsContact CA-OE2 3.25Å; F129-E133 WeakPolarHBondContact CA-OE2 3.48Å; F129-E133 HydrophobicContact CD1-CB 4.49Å; F129-L134 HydrophobicContact CB-CD2 4.14Å; F129-L134 HydrophobicContact CB-CG 4.08Å; F129-L134 HydrophobicContact CG-CD2 4.28Å; F129-M137 HydrophobicContact CD1-CE 3.62Å; F129-M137 HydrophobicContact CE1-CE 3.4Å; F129-M137 HydrophobicContact CZ-CE 4.17Å; F129-K682 HydrophobicContact CD1-CD 4.49Å; F129-K682 HydrophobicContact CE1-CD 4.29Å; F129-K682 VanDerWaalsContact CE1-CE 3.44Å; F129-L686 HydrophobicContact CE1-CD1 3.87Å; F129-L686 HydrophobicContact CZ-CD1 4.13Å
130S96.7Very high95.5Very high0 Ų027.4 Ų27.40%015%0.152CC..EExtended strand (participates in β ladder)trans-75.215716774.60000110.9Q118 L119 D132 E133 L134Q118-S130 VanDerWaalsContact OE1-CB 3.29Å; Q118-S130 PolarHBondContact OE1-OG 3.29Å; L119-S130 CarbonylContact O-C 3.54Å; L119-S130 WeakPolarHBondContact O-CA 3.48Å; S130-D132 PolarHBondContact O-N 2.97Å; S130-D132 PolarHBondContact OG-N 2.93Å; S130-E133 PolarHBondContact N-OE2 3.31Å; S130-E133 PolarHBondContact O-N 2.91Å; S130-E133 WeakPolarHBondContact OG-CG 3.35Å; S130-E133 PolarHBondContact OG-N 3.49Å; S130-E133 VanDerWaalsContact OG-N 3.07Å; S130-L134 PolarHBondContact O-N 3.38Å; S130-L134 VanDerWaalsContact O-N 3.12Å
131V97Very high95.4Very high2 Ų227.4 Ų27.41%0.01215%0.151CC..Hα-helixtrans-55.2-40.4169.71680000110.3I85 L88 L89 L119 F121 E133 L134 V135I85-V131 HydrophobicContact CG2-CG1 3.87Å; L88-V131 HydrophobicContact CB-CG1 3.97Å; L88-V131 HydrophobicContact CB-CG2 3.98Å; L88-V131 HydrophobicContact CD1-CG2 4.11Å; L89-V131 HydrophobicContact CD2-CG1 3.88Å; L89-V131 HydrophobicContact CG-CG1 4.16Å; L119-V131 HydrophobicContact CB-CB 4.42Å; L119-V131 HydrophobicContact CB-CG2 3.59Å; L119-V131 HydrophobicContact CD1-CG2 4.43Å; L119-V131 PolarHBondContact O-N 3.3Å; F121-V131 HydrophobicContact CD2-CG2 4.4Å; F121-V131 HydrophobicContact CE2-CG2 3.84Å; V131-E133 PolarHBondContact O-N 3.3Å; V131-L134 PolarHBondContact O-N 2.92Å; V131-V135 HydrophobicContact CG1-CG2 4.45Å; V131-V135 WeakPolarHBondContact O-CG2 3.34Å; V131-V135 PolarHBondContact O-N 3.21Å
132D96.1Very high95.4Very high3 Ų327.3 Ų27.32%0.01615%0.151CC..Hα-helixtrans-59.3-47.2178.3-66.516000111.7S130 L134 V135 A136 R172 V176 I179S130-D132 PolarHBondContact O-N 2.97Å; S130-D132 PolarHBondContact OG-N 2.93Å; D132-L134 PolarHBondContact O-N 2.65Å; D132-V135 PolarHBondContact O-N 2.85Å; D132-A136 WeakPolarHBondContact O-CB 3.49Å; D132-A136 PolarHBondContact O-N 2.89Å; D132-R172 VanDerWaalsContact CG-CD 3.47Å; D132-R172 WeakPolarHBondContact OD1-CD 3.47Å; D132-R172 WeakPolarHBondContact OD2-CD 3.49Å; D132-R172 IonicContact OD2-CZ 3.93Å; D132-R172 IonicContact OD2-NE 2.78Å; D132-R172 IonicContact OD2-NH1 3.17Å; D132-R172 PolarHBondContact OD2-NH1 2.8Å; D132-V176 HydrophobicContact CB-CG2 3.72Å; D132-I179 HydrophobicContact CB-CD1 4.13Å
133E97.1Very high95.4Very high10 Ų1026.4 Ų26.45%0.04714%0.143CC..Hα-helixtrans-61.6-43176.5-72.4170.8151.400111.5F129 S130 V131 A136 M137 K682 L683F129-E133 VanDerWaalsContact CA-OE2 3.25Å; F129-E133 WeakPolarHBondContact CA-OE2 3.48Å; F129-E133 HydrophobicContact CD1-CB 4.49Å; S130-E133 PolarHBondContact N-OE2 3.31Å; S130-E133 PolarHBondContact O-N 2.91Å; S130-E133 WeakPolarHBondContact OG-CG 3.35Å; S130-E133 PolarHBondContact OG-N 3.49Å; S130-E133 VanDerWaalsContact OG-N 3.07Å; V131-E133 PolarHBondContact O-N 3.3Å; E133-A136 PolarHBondContact O-N 3.16Å; E133-M137 VanDerWaalsContact O-CG 3.27Å; E133-M137 WeakPolarHBondContact O-CG 3.43Å; E133-M137 PolarHBondContact O-N 2.88Å; E133-K682 VanDerWaalsContact CD-NZ 3.25Å; E133-K682 WeakPolarHBondContact OE1-CD 3.24Å; E133-K682 IonicContact OE1-NZ 2.8Å; E133-K682 PolarHBondContact OE1-NZ 3.48Å; E133-K682 IonicContact OE2-NZ 3.03Å; E133-K682 PolarHBondContact OE2-NZ 3.25Å; E133-L683 HydrophobicContact CB-CD1 4.15Å; E133-L683 HydrophobicContact CG-CD1 4.26Å
134L97.5Very high95.5Very high0 Ų030.1 Ų30.10%016%0.164CC..Hα-helixtrans-63.8-42.7177.8-68.7175000111.8I57 F59 F82 I85 F121 F129 S130 V131 D132 A136 M137 L138I57-L134 HydrophobicContact CD1-CB 4.14Å; I57-L134 HydrophobicContact CD1-CD2 4.21Å; I57-L134 WeakPolarHBondContact CD1-O 3.25Å; F59-L134 HydrophobicContact CE2-CD2 4Å; F59-L134 HydrophobicContact CZ-CD2 4.15Å; F82-L134 HydrophobicContact CB-CD1 4.2Å; F82-L134 HydrophobicContact CD1-CD1 3.96Å; F82-L134 HydrophobicContact CD2-CD1 4.29Å; F82-L134 HydrophobicContact CD2-CD2 4.13Å; F82-L134 HydrophobicContact CE1-CD1 4.42Å; F82-L134 HydrophobicContact CE2-CD2 4.47Å; F82-L134 HydrophobicContact CG-CD1 3.89Å; F82-L134 HydrophobicContact CG-CD2 4.48Å; I85-L134 HydrophobicContact CG1-CD1 4.46Å; I85-L134 HydrophobicContact CG2-CB 4.04Å; I85-L134 HydrophobicContact CG2-CD1 4.29Å; F121-L134 HydrophobicContact CD2-CD1 3.54Å; F121-L134 HydrophobicContact CE2-CD1 3.94Å; F121-L134 HydrophobicContact CG-CD1 4.47Å; F129-L134 HydrophobicContact CB-CD2 4.14Å; F129-L134 HydrophobicContact CB-CG 4.08Å; F129-L134 HydrophobicContact CG-CD2 4.28Å; S130-L134 PolarHBondContact O-N 3.38Å; S130-L134 VanDerWaalsContact O-N 3.12Å; V131-L134 PolarHBondContact O-N 2.92Å; D132-L134 PolarHBondContact O-N 2.65Å; L134-A136 VanDerWaalsContact C-N 3.35Å; L134-M137 PolarHBondContact O-N 2.88Å; L134-L138 PolarHBondContact O-N 3.36Å
135V97.4Very high95.8Very high0 Ų022.7 Ų22.70%013%0.131CC..Hα-helixtrans-68.5-36.7176.1-179.70000111L25 I85 P86 L89 V131 D132 M137 L138 F139 V176L25-V135 HydrophobicContact CD2-CG1 4Å; I85-V135 HydrophobicContact CG2-CG2 3.95Å; P86-V135 HydrophobicContact CG-CG2 4.43Å; L89-V135 HydrophobicContact CD1-CG1 4.15Å; L89-V135 HydrophobicContact CD1-CG2 4.04Å; L89-V135 HydrophobicContact CD2-CB 4.33Å; L89-V135 HydrophobicContact CD2-CG2 3.95Å; L89-V135 HydrophobicContact CG-CG2 4.02Å; V131-V135 HydrophobicContact CG1-CG2 4.45Å; V131-V135 WeakPolarHBondContact O-CG2 3.34Å; V131-V135 PolarHBondContact O-N 3.21Å; D132-V135 PolarHBondContact O-N 2.85Å; V135-M137 VanDerWaalsContact C-N 3.27Å; V135-M137 PolarHBondContact O-N 3.42Å; V135-L138 WeakPolarHBondContact O-CB 3.33Å; V135-L138 PolarHBondContact O-N 3.24Å; V135-F139 HydrophobicContact CG1-CD2 4.5Å; V135-F139 HydrophobicContact CG1-CE1 4.35Å; V135-F139 HydrophobicContact CG1-CE2 4.21Å; V135-F139 HydrophobicContact CG1-CZ 4.16Å; V135-F139 PolarHBondContact O-N 3.43Å; V135-V176 HydrophobicContact CB-CG1 3.76Å; V135-V176 HydrophobicContact CG1-CG1 3.66Å
136A97.7Very high96.1Very high0 Ų017.5 Ų17.50%010%0.103CC..Hα-helixtrans-60-38173.700000111.6D132 E133 L134 L138 F139 E140 V176 I179 A180 L683D132-A136 WeakPolarHBondContact O-CB 3.49Å; D132-A136 PolarHBondContact O-N 2.89Å; E133-A136 PolarHBondContact O-N 3.16Å; L134-A136 VanDerWaalsContact C-N 3.35Å; A136-L138 VanDerWaalsContact C-N 3.35Å; A136-L138 PolarHBondContact O-N 3.34Å; A136-F139 WeakPolarHBondContact O-CB 3.45Å; A136-F139 PolarHBondContact O-N 3.09Å; A136-E140 WeakPolarHBondContact O-CG 3.46Å; A136-E140 PolarHBondContact O-N 3.4Å; A136-V176 HydrophobicContact CB-CG1 4.05Å; A136-I179 HydrophobicContact CB-CB 3.81Å; A136-I179 HydrophobicContact CB-CG2 3.59Å; A136-A180 HydrophobicContact CB-CB 4.28Å; A136-L683 HydrophobicContact CB-CD2 3.65Å
137M97.4Very high96.3Very high0 Ų017.5 Ų17.50%09%0.09CC..Hα-helixtrans-64.8-35.3173.3-63.7-178.3-156.800113.1I57 F59 R64 F66 F129 E133 L134 V135 F139 Y141 L683 L686I57-M137 HydrophobicContact CD1-CB 3.91Å; F59-M137 HydrophobicContact CZ-CE 4.38Å; F59-M137 HydrophobicContact CZ-SD 4.06Å; R64-M137 WeakPolarHBondContact CD-SD 3.37Å; F66-M137 HydrophobicContact CE1-CB 3.99Å; F66-M137 WeakPolarHBondContact CE1-O 3.15Å; F66-M137 HydrophobicContact CZ-CB 4.17Å; F129-M137 HydrophobicContact CD1-CE 3.62Å; F129-M137 HydrophobicContact CE1-CE 3.4Å; F129-M137 HydrophobicContact CZ-CE 4.17Å; E133-M137 VanDerWaalsContact O-CG 3.27Å; E133-M137 WeakPolarHBondContact O-CG 3.43Å; E133-M137 PolarHBondContact O-N 2.88Å; L134-M137 PolarHBondContact O-N 2.88Å; V135-M137 VanDerWaalsContact C-N 3.27Å; V135-M137 PolarHBondContact O-N 3.42Å; M137-F139 VanDerWaalsContact C-N 3.34Å; M137-Y141 WeakPolarHBondContact O-CB 3.33Å; M137-Y141 PolarHBondContact O-N 3.43Å; M137-L683 HydrophobicContact CE-CD1 3.75Å; M137-L683 HydrophobicContact CE-CG 4.4Å; M137-L683 HydrophobicContact CG-CD1 4.29Å; M137-L683 HydrophobicContact CG-CD2 4.15Å; M137-L683 HydrophobicContact CG-CG 4.08Å; M137-L686 HydrophobicContact CE-CD1 3.45Å; M137-L686 VanDerWaalsContact CE-CD1 3.45Å; M137-L686 HydrophobicContact SD-CD1 4.24Å
138L97.2Very high96.3Very high3 Ų321.3 Ų21.32%0.01611%0.108CC..Hα-helixtrans-65.4-40.2172.6-71.8169.2000111.1M30 T55 I57 F66 P86 L134 V135 A136 Y141 A142M30-L138 HydrophobicContact SD-CB 4.45Å; T55-L138 HydrophobicContact CG2-CD1 3.61Å; I57-L138 HydrophobicContact CD1-CD1 4.43Å; I57-L138 HydrophobicContact CD1-CD2 4.1Å; I57-L138 HydrophobicContact CD1-CG 3.72Å; I57-L138 HydrophobicContact CG1-CD2 3.77Å; I57-L138 HydrophobicContact CG1-CG 3.98Å; F66-L138 HydrophobicContact CD1-CD2 4.34Å; P86-L138 HydrophobicContact CG-CD1 4.42Å; L134-L138 PolarHBondContact O-N 3.36Å; V135-L138 WeakPolarHBondContact O-CB 3.33Å; V135-L138 PolarHBondContact O-N 3.24Å; A136-L138 VanDerWaalsContact C-N 3.35Å; A136-L138 PolarHBondContact O-N 3.34Å; L138-Y141 PolarHBondContact O-N 3.22Å; L138-A142 WeakPolarHBondContact O-CB 3.49Å; L138-A142 PolarHBondContact O-N 3.29Å
139F97.5Very high96.1Very high0 Ų022.3 Ų22.30%011%0.106CC..Hα-helixtrans-66-43175.1-73.9-12.1000112.7I23 L25 V135 A136 M137 Y141 A142 H143 L159 L173 V176 S177 A180 L182I23-F139 HydrophobicContact CD1-CD1 3.71Å; I23-F139 HydrophobicContact CD1-CE1 4.12Å; I23-F139 HydrophobicContact CD1-CG 4.28Å; I23-F139 HydrophobicContact CG2-CD1 4.38Å; I23-F139 HydrophobicContact CG2-CE1 4.18Å; L25-F139 HydrophobicContact CB-CE1 4.49Å; L25-F139 HydrophobicContact CD1-CE1 4.07Å; L25-F139 HydrophobicContact CD2-CE1 3.8Å; L25-F139 HydrophobicContact CD2-CZ 3.92Å; L25-F139 HydrophobicContact CG-CE1 4.34Å; V135-F139 HydrophobicContact CG1-CD2 4.5Å; V135-F139 HydrophobicContact CG1-CE1 4.35Å; V135-F139 HydrophobicContact CG1-CE2 4.21Å; V135-F139 HydrophobicContact CG1-CZ 4.16Å; V135-F139 PolarHBondContact O-N 3.43Å; A136-F139 WeakPolarHBondContact O-CB 3.45Å; A136-F139 PolarHBondContact O-N 3.09Å; M137-F139 VanDerWaalsContact C-N 3.34Å; F139-Y141 VanDerWaalsContact C-N 3.32Å; F139-Y141 PolarHBondContact O-N 3.33Å; F139-A142 PolarHBondContact O-N 3.07Å; F139-H143 WeakPolarHBondContact O-CB 3.32Å; F139-H143 PolarHBondContact O-N 2.7Å; F139-L159 HydrophobicContact CE1-CD2 4.29Å; F139-L159 HydrophobicContact CE2-CD1 4.21Å; F139-L159 HydrophobicContact CZ-CD1 3.96Å; F139-L159 HydrophobicContact CZ-CD2 4.13Å; F139-L173 HydrophobicContact CE2-CD1 4.03Å; F139-L173 HydrophobicContact CE2-CG 4.41Å; F139-L173 HydrophobicContact CZ-CD1 3.64Å; F139-L173 HydrophobicContact CZ-CG 4.15Å; F139-V176 HydrophobicContact CD2-CG1 3.84Å; F139-V176 HydrophobicContact CE2-CB 4.43Å; F139-V176 HydrophobicContact CE2-CG1 3.83Å; F139-S177 VanDerWaalsContact CE2-OG 3.27Å; F139-S177 WeakPolarHBondContact CE2-OG 3.48Å; F139-A180 HydrophobicContact CB-CB 3.57Å; F139-A180 HydrophobicContact CD2-CB 4.39Å; F139-L182 HydrophobicContact CB-CD1 3.97Å; F139-L182 HydrophobicContact CG-CD1 4.42Å
140E96Very high95.9Very high6 Ų622.7 Ų22.73%0.02811%0.111CC..Hα-helixtrans-57.9-44.9171.4-73.9-176.716400111.1R64 A136 H143 N144 A180 L683 R687R64-E140 IonicContact CZ-OE2 3.73Å; R64-E140 IonicContact NH1-OE2 2.73Å; R64-E140 PolarHBondContact NH1-OE2 2.9Å; R64-E140 IonicContact NH2-OE2 3.46Å; A136-E140 WeakPolarHBondContact O-CG 3.46Å; A136-E140 PolarHBondContact O-N 3.4Å; E140-H143 PolarHBondContact O-N 3.13Å; E140-N144 WeakPolarHBondContact O-CB 3.47Å; E140-N144 PolarHBondContact O-N 2.83Å; E140-N144 PolarHBondContact O-ND2 2.87Å; E140-A180 HydrophobicContact CG-CB 4.27Å; E140-L683 WeakPolarHBondContact OE1-CD2 3.45Å; E140-R687 IonicContact OE1-CZ 3.99Å; E140-R687 IonicContact OE1-NE 3.97Å; E140-R687 PolarHBondContact OE1-NE 3.06Å; E140-R687 IonicContact OE1-NH2 2.8Å; E140-R687 PolarHBondContact OE1-NH2 3.19Å; E140-R687 IonicContact OE2-NE 3.89Å
141Y96Very high95.7Very high47 Ų4726.1 Ų26.118%0.18415%0.146CC..Hα-helixtrans-62.8-46.1177.8-176.3-98.2000111.4M30 T53 F66 M137 L138 F139 H143 N144 Y145M30-Y141 HydrophobicContact CE-CD1 3.52Å; M30-Y141 HydrophobicContact CE-CE1 4.17Å; T53-Y141 HydrophobicContact CG2-CD1 4.24Å; T53-Y141 HydrophobicContact CG2-CE1 3.68Å; F66-Y141 HydrophobicContact CB-CD1 4.03Å; F66-Y141 HydrophobicContact CB-CD2 3.73Å; F66-Y141 HydrophobicContact CB-CE1 4.05Å; F66-Y141 HydrophobicContact CB-CE2 3.74Å; F66-Y141 HydrophobicContact CB-CG 3.87Å; F66-Y141 HydrophobicContact CD1-CD2 4.25Å; F66-Y141 AromaticContact CD1-CG 3.97Å; F66-Y141 HydrophobicContact CD1-CG 3.97Å; F66-Y141 AromaticContact CD2-CD2 3.46Å; F66-Y141 HydrophobicContact CD2-CD2 3.46Å; F66-Y141 VanDerWaalsContact CD2-CD2 3.46Å; F66-Y141 AromaticContact CD2-CE2 3.97Å; F66-Y141 HydrophobicContact CD2-CE2 3.97Å; F66-Y141 HydrophobicContact CD2-CG 4.03Å; F66-Y141 HydrophobicContact CE2-CD2 4.08Å; F66-Y141 HydrophobicContact CG-CD1 4.31Å; F66-Y141 AromaticContact CG-CD2 3.55Å; F66-Y141 HydrophobicContact CG-CD2 3.55Å; F66-Y141 HydrophobicContact CG-CE2 4.04Å; F66-Y141 AromaticContact CG-CG 3.69Å; F66-Y141 HydrophobicContact CG-CG 3.69Å; M137-Y141 WeakPolarHBondContact O-CB 3.33Å; M137-Y141 PolarHBondContact O-N 3.43Å; L138-Y141 PolarHBondContact O-N 3.22Å; F139-Y141 VanDerWaalsContact C-N 3.32Å; F139-Y141 PolarHBondContact O-N 3.33Å; Y141-H143 VanDerWaalsContact C-N 3.35Å; Y141-H143 PolarHBondContact O-N 2.9Å; Y141-N144 PolarHBondContact O-N 3.36Å; Y141-Y145 AromaticContact CD1-CD1 3.91Å; Y141-Y145 HydrophobicContact CD1-CD1 3.91Å; Y141-Y145 AromaticContact CD1-CE1 3.89Å; Y141-Y145 HydrophobicContact CD1-CE1 3.89Å; Y141-Y145 AromaticContact CE1-CD1 3.81Å; Y141-Y145 HydrophobicContact CE1-CD1 3.81Å; Y141-Y145 AromaticContact CE1-CE1 3.88Å; Y141-Y145 HydrophobicContact CE1-CE1 3.88Å; Y141-Y145 WeakPolarHBondContact O-CD1 3.46Å; Y141-Y145 PolarHBondContact O-N 2.9Å
142A97.2Very high95.4Very high0 Ų027.3 Ų27.30%016%0.155CC..Hα-helixtrans-57.1-45.9175.300000112.6M21 I23 M30 V32 L138 F139 Y145 A146M21-A142 HydrophobicContact CE-CB 4.48Å; I23-A142 HydrophobicContact CD1-CB 3.89Å; I23-A142 HydrophobicContact CG1-CB 4.31Å; I23-A142 HydrophobicContact CG2-CB 4.5Å; M30-A142 HydrophobicContact CE-CB 4.15Å; M30-A142 HydrophobicContact SD-CB 4.24Å; V32-A142 HydrophobicContact CG2-CB 3.79Å; L138-A142 WeakPolarHBondContact O-CB 3.49Å; L138-A142 PolarHBondContact O-N 3.29Å; F139-A142 PolarHBondContact O-N 3.07Å; A142-Y145 VanDerWaalsContact CA-CE1 3.42Å; A142-Y145 HydrophobicContact CB-CE1 4.33Å; A142-A146 WeakPolarHBondContact O-CB 3.37Å; A142-A146 PolarHBondContact O-N 3.04Å; A142-A146 VanDerWaalsContact O-N 3.14Å
143H96.2Very high95.2Very high26 Ų2632.1 Ų32.112%0.1218%0.179CC..Hα-helixtrans-64.2-49.8178.9177.8-129000111.9F139 E140 Y141 Y145 A146 E147 I154 L182F139-H143 WeakPolarHBondContact O-CB 3.32Å; F139-H143 PolarHBondContact O-N 2.7Å; E140-H143 PolarHBondContact O-N 3.13Å; Y141-H143 VanDerWaalsContact C-N 3.35Å; Y141-H143 PolarHBondContact O-N 2.9Å; H143-Y145 PolarHBondContact O-N 2.97Å; H143-A146 WeakPolarHBondContact O-CB 3.39Å; H143-A146 PolarHBondContact O-N 3.42Å; H143-E147 IonicContact CE1-OE1 3.59Å; H143-E147 PolarHBondContact CE1-OE1 2.9Å; H143-E147 IonicContact CE1-OE2 2.98Å; H143-E147 VanDerWaalsContact NE2-CD 3.27Å; H143-E147 IonicContact NE2-OE1 3.55Å; H143-E147 PolarHBondContact NE2-OE1 3.25Å; H143-E147 IonicContact NE2-OE2 2.71Å; H143-E147 PolarHBondContact O-N 3.21Å; H143-I154 PolarHBondContact CD2-O 3.27Å; H143-I154 PolarHBondContact NE2-O 3.32Å; H143-L182 HydrophobicContact CB-CD1 4.42Å; H143-L182 HydrophobicContact CB-CD2 4.03Å
144N94.2Very high95Very high94 Ų9431.7 Ų31.750%0.50318%0.177SC..Hα-helixtrans-57.5-44.9-178.5-73-29.6000112.8E140 Y141 L148E140-N144 WeakPolarHBondContact O-CB 3.47Å; E140-N144 PolarHBondContact O-N 2.83Å; E140-N144 PolarHBondContact O-ND2 2.87Å; Y141-N144 PolarHBondContact O-N 3.36Å; N144-L148 WeakPolarHBondContact O-CB 3.39Å; N144-L148 PolarHBondContact O-N 3.41Å; N144-L148 VanDerWaalsContact O-N 3.08Å
145Y95Very high94.6Very high8 Ų836.8 Ų36.83%0.03120%0.199CC..Hα-helixtrans-77.7-23.6178.276.5-110.8000112.8M30 V32 A44 Y141 A142 H143 Y149M30-Y145 HydrophobicContact CE-CE1 4.13Å; V32-Y145 HydrophobicContact CB-CE2 3.72Å; V32-Y145 WeakPolarHBondContact CB-OH 3.36Å; V32-Y145 HydrophobicContact CG1-CE2 4.27Å; V32-Y145 HydrophobicContact CG2-CE2 3.97Å; V32-Y145 WeakPolarHBondContact CG2-OH 3.4Å; A44-Y145 HydrophobicContact CB-CD2 4.36Å; A44-Y145 HydrophobicContact CB-CE2 4.17Å; Y141-Y145 AromaticContact CD1-CD1 3.91Å; Y141-Y145 HydrophobicContact CD1-CD1 3.91Å; Y141-Y145 AromaticContact CD1-CE1 3.89Å; Y141-Y145 HydrophobicContact CD1-CE1 3.89Å; Y141-Y145 AromaticContact CE1-CD1 3.81Å; Y141-Y145 HydrophobicContact CE1-CD1 3.81Å; Y141-Y145 AromaticContact CE1-CE1 3.88Å; Y141-Y145 HydrophobicContact CE1-CE1 3.88Å; Y141-Y145 WeakPolarHBondContact O-CD1 3.46Å; Y141-Y145 PolarHBondContact O-N 2.9Å; A142-Y145 VanDerWaalsContact CA-CE1 3.42Å; A142-Y145 HydrophobicContact CB-CE1 4.33Å; H143-Y145 PolarHBondContact O-N 2.97Å; Y145-Y149 WeakPolarHBondContact O-CB 3.44Å; Y145-Y149 PolarHBondContact O-N 3.2Å
146A96.1Very high94.4Very high0 Ų038 Ų380%021%0.206CC..Hα-helixtrans-65.4-45.5171.300000111.1M21 V32 V34 A142 H143 Y149 A150 I154M21-A146 HydrophobicContact CE-CB 3.68Å; M21-A146 HydrophobicContact SD-CB 3.83Å; V32-A146 HydrophobicContact CG1-CB 3.87Å; V34-A146 HydrophobicContact CG1-CB 4.08Å; A142-A146 WeakPolarHBondContact O-CB 3.37Å; A142-A146 PolarHBondContact O-N 3.04Å; A142-A146 VanDerWaalsContact O-N 3.14Å; H143-A146 WeakPolarHBondContact O-CB 3.39Å; H143-A146 PolarHBondContact O-N 3.42Å; A146-Y149 PolarHBondContact O-N 3.3Å; A146-A150 WeakPolarHBondContact O-CB 3.27Å; A146-A150 PolarHBondContact O-N 2.98Å; A146-I154 HydrophobicContact CB-CD1 3.9Å
147E94.8Very high94.4Very high47 Ų4738 Ų3822%0.2221%0.206CC..Hα-helixtrans-64-43.4175.6-67.7-165.3148.100111.7H143 Y149 A150 G151 S152 I153 I154H143-E147 IonicContact CE1-OE1 3.59Å; H143-E147 PolarHBondContact CE1-OE1 2.9Å; H143-E147 IonicContact CE1-OE2 2.98Å; H143-E147 VanDerWaalsContact NE2-CD 3.27Å; H143-E147 IonicContact NE2-OE1 3.55Å; H143-E147 PolarHBondContact NE2-OE1 3.25Å; H143-E147 IonicContact NE2-OE2 2.71Å; H143-E147 PolarHBondContact O-N 3.21Å; E147-Y149 VanDerWaalsContact C-N 3.32Å; E147-Y149 PolarHBondContact O-N 2.91Å; E147-A150 PolarHBondContact O-N 3.19Å; E147-G151 PolarHBondContact O-N 2.93Å; E147-S152 WeakPolarHBondContact CA-O 3.38Å; E147-I153 VanDerWaalsContact OE1-CA 3.3Å; E147-I153 WeakPolarHBondContact OE1-CA 3.46Å; E147-I153 WeakPolarHBondContact OE1-CG2 3.42Å; E147-I154 HydrophobicContact CG-CB 4.14Å; E147-I154 HydrophobicContact CG-CG1 4.18Å; E147-I154 PolarHBondContact OE1-N 3.46Å
148L92.8Very high94.4Very high136 Ų13638 Ų3871%0.71221%0.206SC*.Hα-helixtrans-60-42.7175.6-176.764.3000111.8N144N144-L148 WeakPolarHBondContact O-CB 3.39Å; N144-L148 PolarHBondContact O-N 3.41Å; N144-L148 VanDerWaalsContact O-N 3.08Å
149Y92.5Very high94.5Very high80 Ų8037.8 Ų37.831%0.31421%0.206SC..Hα-helixtrans-68.3-40.4177.3-177-88.5000112.1V34 E42 A44 V45 Y145 A146 E147V34-Y149 HydrophobicContact CG2-CD1 3.75Å; V34-Y149 HydrophobicContact CG2-CE1 3.79Å; E42-Y149 HydrophobicContact CG-CE1 3.82Å; E42-Y149 WeakPolarHBondContact OE1-CE1 3.38Å; E42-Y149 PolarHBondContact OE1-OH 3.16Å; E42-Y149 PolarHBondContact OE2-OH 3.48Å; A44-Y149 HydrophobicContact CB-CD1 3.86Å; A44-Y149 HydrophobicContact CB-CD2 4.47Å; A44-Y149 HydrophobicContact CB-CE1 4.44Å; A44-Y149 HydrophobicContact CB-CG 3.88Å; V45-Y149 HydrophobicContact CB-CD2 4.34Å; V45-Y149 HydrophobicContact CB-CE2 4.24Å; V45-Y149 HydrophobicContact CG2-CE2 4.11Å; Y145-Y149 WeakPolarHBondContact O-CB 3.44Å; Y145-Y149 PolarHBondContact O-N 3.2Å; A146-Y149 PolarHBondContact O-N 3.3Å; E147-Y149 VanDerWaalsContact C-N 3.32Å; E147-Y149 PolarHBondContact O-N 2.91Å
150A92.6Very high94.5Very high15 Ų1537.9 Ų37.912%0.12421%0.206CC..Hα-helixtrans-72.9-31.3-179.600000113.6L36 A146 E147 I154L36-A150 HydrophobicContact CD1-CB 4.23Å; L36-A150 HydrophobicContact CD2-CB 3.57Å; A146-A150 WeakPolarHBondContact O-CB 3.27Å; A146-A150 PolarHBondContact O-N 2.98Å; E147-A150 PolarHBondContact O-N 3.19Å; A150-I154 HydrophobicContact CB-CD1 3.91Å; A150-I154 HydrophobicContact CB-CG1 4.45Å
151G91.4Very high94.5Very high72 Ų7237.8 Ų37.874%0.74221%0.206SC*.THydrogen-bonded Turntrans70.418.6-169.100000113.3E147E147-G151 PolarHBondContact O-N 2.93Å
152S90.7Very high94.4Very high27 Ų2736.4 Ų36.419%0.18920%0.203CC..SBendtrans-145.2158.7-17958.80000111S19 E147S19-S152 PolarHBondContact OG-OG 3.36Å; E147-S152 WeakPolarHBondContact CA-O 3.38Å
153I91.5Very high94.2Very high104 Ų10436.8 Ų36.853%0.53321%0.206SC..  trans-71134.7173.4-61.3173.3000108.8E147 K155E147-I153 VanDerWaalsContact OE1-CA 3.3Å; E147-I153 WeakPolarHBondContact OE1-CA 3.46Å; E147-I153 WeakPolarHBondContact OE1-CG2 3.42Å; I153-K155 HydrophobicContact CG2-CG 4.15Å
154I93Very high94Very high1 Ų136.9 Ų36.91%0.00521%0.206CC..  trans-118.6116.7178.3-58.9177.1000108.4M21 V34 H143 A146 E147 A150M21-I154 HydrophobicContact CB-CD1 4.4Å; M21-I154 HydrophobicContact CB-CG2 4Å; M21-I154 HydrophobicContact CG-CG2 3.71Å; M21-I154 HydrophobicContact SD-CB 4.5Å; M21-I154 HydrophobicContact SD-CG2 3.86Å; V34-I154 HydrophobicContact CG1-CD1 3.93Å; H143-I154 PolarHBondContact CD2-O 3.27Å; H143-I154 PolarHBondContact NE2-O 3.32Å; A146-I154 HydrophobicContact CB-CD1 3.9Å; E147-I154 HydrophobicContact CG-CB 4.14Å; E147-I154 HydrophobicContact CG-CG1 4.18Å; E147-I154 PolarHBondContact OE1-N 3.46Å; A150-I154 HydrophobicContact CB-CD1 3.91Å; A150-I154 HydrophobicContact CB-CG1 4.45Å
155K89.1Confident93.8Very high106 Ų10633.2 Ų33.246%0.46119%0.186SC..  trans-102.3-23.7-178.7-65.2175.5-175161.30113.5E16 I153 N183E16-K155 IonicContact OE1-NZ 3.65Å; E16-K155 PolarHBondContact OE1-NZ 2.93Å; E16-K155 IonicContact OE2-NZ 3.21Å; E16-K155 PolarHBondContact OE2-NZ 2.9Å; I153-K155 HydrophobicContact CG2-CG 4.15Å; K155-N183 WeakPolarHBondContact O-CB 3.46Å; K155-N183 PolarHBondContact O-N 3.11Å
156T94Very high93.6Very high25 Ų2533.1 Ų33.115%0.15319%0.187CC..EExtended strand (participates in β ladder)trans-116.5141.5-170.757.60000112.1S20 M21 N183 L185S20-T156 PolarHBondContact OG-OG1 3.4Å; M21-T156 PolarHBondContact N-O 3.11Å; M21-T156 VanDerWaalsContact N-O 3.12Å; T156-N183 CarbonylContact C-O 3.46Å; T156-N183 WeakPolarHBondContact CA-O 3.34Å; T156-N183 HydrophobicContact CG2-CB 4.31Å; T156-L185 HydrophobicContact CG2-CD1 4.41Å; T156-L185 HydrophobicContact CG2-CD2 3.98Å; T156-L185 HydrophobicContact CG2-CG 4.26Å
157C96.8Very high93.5Very high0 Ų033.5 Ų33.50%019%0.189CC..EExtended strand (participates in β ladder)trans-139.6158.5178.271.30000113.5M21 N183 V184 L185M21-C157 HydrophobicContact CG-CB 3.66Å; M21-C157 CarbonylContact O-C 3.49Å; M21-C157 WeakPolarHBondContact O-CA 3.33Å; C157-N183 PolarHBondContact N-O 3.48Å; C157-V184 CarbonylContact O-C 3.59Å; C157-V184 WeakPolarHBondContact O-CA 3.32Å; C157-L185 PolarHBondContact O-N 3.12Å
158V98.3Very high93.3Very high0 Ų031.8 Ų31.80%018%0.183CC..EExtended strand (participates in β ladder)trans-113.3136.2162.2170.90000108.7M21 S22 I23 L185 Q186 I188 A404 Q407 A408M21-V158 PolarHBondContact O-N 3.1Å; S22-V158 CarbonylContact C-O 3.58Å; S22-V158 WeakPolarHBondContact CA-O 3.42Å; S22-V158 VanDerWaalsContact CB-O 3.3Å; S22-V158 WeakPolarHBondContact CB-O 3.45Å; I23-V158 PolarHBondContact N-O 3.4Å; V158-L185 HydrophobicContact CG2-CB 4.08Å; V158-Q186 WeakPolarHBondContact CA-O 3.47Å; V158-Q186 HydrophobicContact CG1-CB 4.2Å; V158-Q186 WeakPolarHBondContact CG1-O 3.27Å; V158-Q186 HydrophobicContact CG2-CB 4Å; V158-I188 HydrophobicContact CG1-CG2 3.82Å; V158-A404 HydrophobicContact CB-CB 4.43Å; V158-A404 WeakPolarHBondContact CB-O 3.47Å; V158-A404 HydrophobicContact CG1-CB 3.83Å; V158-Q407 HydrophobicContact CG1-CB 4.27Å; V158-Q407 HydrophobicContact CG2-CB 4.21Å; V158-A408 HydrophobicContact CB-CB 4.2Å; V158-A408 HydrophobicContact CG2-CB 3.66Å
159L98.4Very high93.3Very high0 Ų026.1 Ų26.10%015%0.152CC..EExtended strand (participates in β ladder)trans-108.8138.2-178.4-55.6178.3000110.2I23 F139 L173 S177 V184 Q186 I187 I188I23-L159 HydrophobicContact CB-CD2 3.75Å; I23-L159 HydrophobicContact CD1-CD2 3.97Å; I23-L159 HydrophobicContact CG1-CD2 4.03Å; F139-L159 HydrophobicContact CE1-CD2 4.29Å; F139-L159 HydrophobicContact CE2-CD1 4.21Å; F139-L159 HydrophobicContact CZ-CD1 3.96Å; F139-L159 HydrophobicContact CZ-CD2 4.13Å; L159-L173 HydrophobicContact CB-CD2 4.05Å; L159-L173 HydrophobicContact CD1-CD2 3.68Å; L159-L173 HydrophobicContact CD1-CG 3.73Å; L159-S177 WeakPolarHBondContact CD1-OG 3.12Å; L159-V184 HydrophobicContact CD1-CG1 4.13Å; L159-V184 HydrophobicContact CD1-CG2 3.69Å; L159-V184 HydrophobicContact CG-CG1 4.18Å; L159-V184 HydrophobicContact CG-CG2 4.23Å; L159-Q186 PolarHBondContact N-O 3.46Å; L159-I187 WeakPolarHBondContact O-CA 3.13Å; L159-I188 PolarHBondContact O-N 2.9Å
160T98Very high93.4Very high2 Ų222.8 Ų22.81%0.01214%0.139CC..EExtended strand (participates in β ladder)trans-87.2147.5165.775.60000110.3I23 D24 L25 I188 A193 A400 A404I23-T160 PolarHBondContact O-N 3.02Å; D24-T160 WeakPolarHBondContact CA-OG1 3.45Å; D24-T160 HydrophobicContact CB-CG2 4.2Å; D24-T160 PolarHBondContact OD1-OG1 3.18Å; L25-T160 PolarHBondContact N-OG1 3.5Å; T160-I188 CarbonylContact C-O 3.53Å; T160-I188 VanDerWaalsContact CA-O 3.25Å; T160-I188 WeakPolarHBondContact CA-O 3.45Å; T160-I188 HydrophobicContact CG2-CG2 4.31Å; T160-A193 HydrophobicContact CG2-CB 4.34Å; T160-A400 HydrophobicContact CG2-CB 4.2Å; T160-A404 HydrophobicContact CG2-CB 3.81Å
161V96Very high93.4Very high4 Ų422.7 Ų22.72%0.02414%0.136CC..EExtended strand (participates in β ladder)trans-137.2153.7170.8-66.50000111S163 F165 L173 I187 I188 N189 D190V161-S163 PolarHBondContact O-N 3.33Å; V161-F165 HydrophobicContact CB-CB 4.48Å; V161-F165 HydrophobicContact CB-CD2 3.94Å; V161-F165 HydrophobicContact CB-CG 4.37Å; V161-F165 HydrophobicContact CG1-CD2 4.09Å; V161-L173 HydrophobicContact CG1-CD2 3.35Å; V161-I187 HydrophobicContact CB-CG2 4.14Å; V161-I187 HydrophobicContact CG1-CG2 3.6Å; V161-I187 HydrophobicContact CG2-CG2 3.41Å; V161-I187 VanDerWaalsContact CG2-CG2 3.41Å; V161-I188 PolarHBondContact N-O 3.21Å; V161-N189 CarbonylContact O-C 3.4Å; V161-N189 WeakPolarHBondContact O-CA 3.44Å; V161-D190 PolarHBondContact O-N 2.9Å
162P94.2Very high93.5Very high17 Ų1719.4 Ų19.411%0.1110%0.101CC..  trans-56.1136.2169.3-23.434000111.3H164 F165 D190P162-H164 WeakPolarHBondContact CB-CE1 3.33Å; P162-H164 PolarHBondContact O-N 3.39Å; P162-F165 HydrophobicContact CB-CD1 3.86Å; P162-F165 HydrophobicContact CB-CE1 4.09Å; P162-F165 HydrophobicContact CG-CD1 3.88Å; P162-F165 HydrophobicContact CG-CE1 3.64Å; P162-F165 HydrophobicContact CG-CZ 4.07Å; P162-F165 WeakPolarHBondContact O-CB 3.18Å; P162-F165 PolarHBondContact O-N 2.96Å; P162-D190 WeakPolarHBondContact CA-OD2 3.38Å
163S92.9Very high93.7Very high9 Ų918.1 Ų18.16%0.0639%0.092CC..THydrogen-bonded Turntrans-56.8-22.8-179.7640000114.7V161 D190 N191 T224V161-S163 PolarHBondContact O-N 3.33Å; S163-D190 PolarHBondContact N-OD1 3.45Å; S163-N191 WeakPolarHBondContact CB-OD1 3.5Å; S163-T224 WeakPolarHBondContact OG-CG2 3.42Å
164H91Very high93.9Very high27 Ų2715 Ų1513%0.1258%0.076CC..THydrogen-bonded Turntrans-85.81.8176.765-93.4000114.4P162 G166 H254 L427 Y428P162-H164 WeakPolarHBondContact CB-CE1 3.33Å; P162-H164 PolarHBondContact O-N 3.39Å; H164-G166 PolarHBondContact O-N 3.32Å; H164-H254 VanDerWaalsContact CB-CD2 3.45Å; H164-H254 WeakPolarHBondContact CB-CD2 3.48Å; H164-H254 AromaticContact CG-CD2 3.84Å; H164-L427 HydrophobicContact CB-CD2 4.03Å; H164-Y428 WeakPolarHBondContact O-CE2 3.46Å; H164-Y428 PolarHBondContact O-OH 3.09Å
165F91.6Very high93.9Very high18 Ų1815 Ų158%0.0798%0.076CC..  trans-67.7131.6172.1-87.524.1000111.3V161 P162 E169 R170V161-F165 HydrophobicContact CB-CB 4.48Å; V161-F165 HydrophobicContact CB-CD2 3.94Å; V161-F165 HydrophobicContact CB-CG 4.37Å; V161-F165 HydrophobicContact CG1-CD2 4.09Å; P162-F165 HydrophobicContact CB-CD1 3.86Å; P162-F165 HydrophobicContact CB-CE1 4.09Å; P162-F165 HydrophobicContact CG-CD1 3.88Å; P162-F165 HydrophobicContact CG-CE1 3.64Å; P162-F165 HydrophobicContact CG-CZ 4.07Å; P162-F165 WeakPolarHBondContact O-CB 3.18Å; P162-F165 PolarHBondContact O-N 2.96Å; F165-E169 HydrophobicContact CB-CB 4.12Å; F165-E169 HydrophobicContact CD2-CB 3.39Å; F165-E169 HydrophobicContact CD2-CG 4.15Å; F165-E169 HydrophobicContact CE2-CB 3.82Å; F165-E169 HydrophobicContact CE2-CG 4.32Å; F165-E169 HydrophobicContact CG-CB 3.8Å; F165-E169 HydrophobicContact CG-CG 4.27Å; F165-R170 PolarHBondContact O-NE 3.45Å; F165-R170 PolarHBondContact O-NH2 2.9Å
166G90.8Very high94.3Very high6 Ų69.9 Ų9.96%0.0625%0.054CC..  trans-84.8-163.6178.500000113.1H164 E169 R170 Y492H164-G166 PolarHBondContact O-N 3.32Å; G166-E169 WeakPolarHBondContact CA-OE2 3.46Å; G166-E169 PolarHBondContact N-OE2 2.96Å; G166-R170 VanDerWaalsContact O-CD 3.32Å; G166-R170 WeakPolarHBondContact O-CD 3.29Å; G166-R170 VanDerWaalsContact O-CG 3.22Å; G166-R170 WeakPolarHBondContact O-CG 3.39Å; G166-R170 PolarHBondContact O-N 3.15Å; G166-Y492 VanDerWaalsContact CA-OH 3.24Å; G166-Y492 WeakPolarHBondContact CA-OH 3.31Å
167Q92.5Very high94.4Very high8 Ų88.7 Ų8.74%0.0375%0.046CC..Hα-helixtrans-68.8-45.8-177.9-66.5-62.1-46.300111.2E169 R170 R171 Y492 L509 G542 I543Q167-E169 PolarHBondContact O-N 2.97Å; Q167-R170 PolarHBondContact O-N 3.08Å; Q167-R171 WeakPolarHBondContact O-CG 3.19Å; Q167-R171 PolarHBondContact O-N 3.08Å; Q167-Y492 HydrophobicContact CG-CE1 4.47Å; Q167-Y492 WeakPolarHBondContact CG-OH 3.44Å; Q167-Y492 PolarHBondContact N-OH 2.92Å; Q167-L509 HydrophobicContact CB-CD2 3.92Å; Q167-L509 HydrophobicContact CG-CD1 4.04Å; Q167-L509 HydrophobicContact CG-CD2 3.95Å; Q167-G542 PolarHBondContact NE2-O 2.89Å; Q167-I543 VanDerWaalsContact OE1-CA 3.28Å
168A91.1Very high94.3Very high11 Ų1110.8 Ų10.89%0.0916%0.056CC..Hα-helixtrans-57-50.7179.600000112.5R170 R172 D667 F668A168-R170 PolarHBondContact O-N 3.17Å; A168-R172 WeakPolarHBondContact O-CB 3.24Å; A168-R172 PolarHBondContact O-N 3.19Å; A168-D667 HydrophobicContact CB-CB 4.46Å; A168-D667 PolarHBondContact N-OD2 3.25Å; A168-F668 HydrophobicContact CB-CB 3.74Å; A168-F668 HydrophobicContact CB-CG 4.49Å
169E93Very high94.2Very high16 Ų1610.8 Ų10.88%0.0756%0.056CC..Hα-helixtrans-65.3-38.9-178.6-61.8101.1147.800112.7L89 K91 F165 G166 Q167 R172 L173L89-E169 WeakPolarHBondContact O-CG 3.49Å; K91-E169 IonicContact NZ-OE1 2.89Å; K91-E169 PolarHBondContact NZ-OE1 3.24Å; F165-E169 HydrophobicContact CB-CB 4.12Å; F165-E169 HydrophobicContact CD2-CB 3.39Å; F165-E169 HydrophobicContact CD2-CG 4.15Å; F165-E169 HydrophobicContact CE2-CB 3.82Å; F165-E169 HydrophobicContact CE2-CG 4.32Å; F165-E169 HydrophobicContact CG-CB 3.8Å; F165-E169 HydrophobicContact CG-CG 4.27Å; G166-E169 WeakPolarHBondContact CA-OE2 3.46Å; G166-E169 PolarHBondContact N-OE2 2.96Å; Q167-E169 PolarHBondContact O-N 2.97Å; E169-R172 PolarHBondContact O-N 2.81Å; E169-L173 WeakPolarHBondContact O-CB 3.4Å; E169-L173 PolarHBondContact O-N 2.8Å
170R94.7Very high94Very high10 Ų1011 Ų114%0.0386%0.058CC..Hα-helixtrans-66.2-48.3179.1-69.5170.1-171.2-83.3-12.5111.8F165 G166 Q167 A168 R172 L173 I174 I187 N189 N541 I543F165-R170 PolarHBondContact O-NE 3.45Å; F165-R170 PolarHBondContact O-NH2 2.9Å; G166-R170 VanDerWaalsContact O-CD 3.32Å; G166-R170 WeakPolarHBondContact O-CD 3.29Å; G166-R170 VanDerWaalsContact O-CG 3.22Å; G166-R170 WeakPolarHBondContact O-CG 3.39Å; G166-R170 PolarHBondContact O-N 3.15Å; Q167-R170 PolarHBondContact O-N 3.08Å; A168-R170 PolarHBondContact O-N 3.17Å; R170-R172 VanDerWaalsContact C-N 3.32Å; R170-R172 PolarHBondContact O-N 2.82Å; R170-L173 PolarHBondContact O-N 3.3Å; R170-I174 PolarHBondContact O-N 2.71Å; R170-I187 HydrophobicContact CB-CD1 4.34Å; R170-I187 VanDerWaalsContact O-CD1 3.31Å; R170-I187 WeakPolarHBondContact O-CD1 2.97Å; R170-N189 PolarHBondContact NH1-OD1 2.91Å; R170-N189 VanDerWaalsContact NH1-OD1 3.1Å; R170-N189 PolarHBondContact NH2-OD1 2.89Å; R170-N541 WeakPolarHBondContact CD-O 3.43Å; R170-N541 PolarHBondContact NH1-O 3.25Å; R170-I543 HydrophobicContact CB-CD1 3.95Å; R170-I543 HydrophobicContact CB-CG1 3.79Å
171R93.5Very high93.7Very high14 Ų1413.7 Ų13.75%0.0539%0.086CC..Hα-helixtrans-62.5-40.8176.5-66.3-165.1-44.4-87.6-5.8111.4Q167 L173 I174 Q175 I543 D667 F668Q167-R171 WeakPolarHBondContact O-CG 3.19Å; Q167-R171 PolarHBondContact O-N 3.08Å; R171-L173 VanDerWaalsContact C-N 3.32Å; R171-L173 PolarHBondContact O-N 3.43Å; R171-I174 PolarHBondContact O-N 2.93Å; R171-Q175 PolarHBondContact O-N 2.74Å; R171-I543 HydrophobicContact CG-CD1 4.17Å; R171-I543 HydrophobicContact CG-CG2 4.08Å; R171-D667 IonicContact CZ-OD1 3.36Å; R171-D667 IonicContact CZ-OD2 2.62Å; R171-D667 IonicContact NH1-OD1 3.36Å; R171-D667 IonicContact NH1-OD2 2.94Å; R171-D667 PolarHBondContact NH1-OD2 2.82Å; R171-D667 IonicContact NH2-OD1 3.67Å; R171-D667 PolarHBondContact NH2-OD1 3.09Å; R171-D667 IonicContact NH2-OD2 3.13Å; R171-D667 PolarHBondContact NH2-OD2 2.84Å; R171-F668 PolarHBondContact NH2-O 3.11Å
172R92.7Very high93.7Very high2 Ų213.8 Ų13.81%0.0089%0.086CC..Hα-helixtrans-62.1-39176.7-174.153.837.8164.5-7.8112.4L89 D132 A168 E169 R170 I174 Q175 V176 F668 P669 L671L89-R172 HydrophobicContact CD2-CG 4.07Å; D132-R172 VanDerWaalsContact CG-CD 3.47Å; D132-R172 WeakPolarHBondContact OD1-CD 3.47Å; D132-R172 WeakPolarHBondContact OD2-CD 3.49Å; D132-R172 IonicContact OD2-CZ 3.93Å; D132-R172 IonicContact OD2-NE 2.78Å; D132-R172 IonicContact OD2-NH1 3.17Å; D132-R172 PolarHBondContact OD2-NH1 2.8Å; A168-R172 WeakPolarHBondContact O-CB 3.24Å; A168-R172 PolarHBondContact O-N 3.19Å; E169-R172 PolarHBondContact O-N 2.81Å; R170-R172 VanDerWaalsContact C-N 3.32Å; R170-R172 PolarHBondContact O-N 2.82Å; R172-I174 VanDerWaalsContact C-N 3.33Å; R172-I174 PolarHBondContact O-N 3.37Å; R172-Q175 VanDerWaalsContact NE-OE1 3.14Å; R172-Q175 PolarHBondContact O-N 3.15Å; R172-V176 HydrophobicContact CG-CG2 4.49Å; R172-V176 VanDerWaalsContact O-CG2 3.3Å; R172-V176 WeakPolarHBondContact O-CG2 3.39Å; R172-V176 PolarHBondContact O-N 2.85Å; R172-F668 VanDerWaalsContact CZ-CD1 3.49Å; R172-P669 PolarHBondContact NH2-O 3.03Å; R172-L671 VanDerWaalsContact NH1-CD2 3.34Å
173L94.9Very high93.7Very high1 Ų115.8 Ų15.81%0.00510%0.096CC..Hα-helixtrans-63.6-39178.6-161.970000112.3L25 L89 F139 L159 V161 E169 R170 R171 V176 S177 I187L25-L173 HydrophobicContact CD2-CD1 3.9Å; L89-L173 HydrophobicContact CD1-CD1 3.68Å; F139-L173 HydrophobicContact CE2-CD1 4.03Å; F139-L173 HydrophobicContact CE2-CG 4.41Å; F139-L173 HydrophobicContact CZ-CD1 3.64Å; F139-L173 HydrophobicContact CZ-CG 4.15Å; L159-L173 HydrophobicContact CB-CD2 4.05Å; L159-L173 HydrophobicContact CD1-CD2 3.68Å; L159-L173 HydrophobicContact CD1-CG 3.73Å; V161-L173 HydrophobicContact CG1-CD2 3.35Å; E169-L173 WeakPolarHBondContact O-CB 3.4Å; E169-L173 PolarHBondContact O-N 2.8Å; R170-L173 PolarHBondContact O-N 3.3Å; R171-L173 VanDerWaalsContact C-N 3.32Å; R171-L173 PolarHBondContact O-N 3.43Å; L173-V176 PolarHBondContact O-N 2.94Å; L173-S177 PolarHBondContact O-N 3.11Å; L173-S177 PolarHBondContact O-OG 3.13Å; L173-S177 VanDerWaalsContact O-OG 3.13Å; L173-I187 HydrophobicContact CB-CD1 4.26Å; L173-I187 HydrophobicContact CD2-CD1 4.32Å
174I95.3Very high93.9Very high37 Ų3716.5 Ų16.519%0.1910%0.1CC..Hα-helixtrans-59.3-48.7174-62177.8000110.2R170 R171 R172 V176 S177 E178 I187 I543R170-I174 PolarHBondContact O-N 2.71Å; R171-I174 PolarHBondContact O-N 2.93Å; R172-I174 VanDerWaalsContact C-N 3.33Å; R172-I174 PolarHBondContact O-N 3.37Å; I174-V176 VanDerWaalsContact C-N 3.35Å; I174-V176 PolarHBondContact O-N 3.12Å; I174-S177 WeakPolarHBondContact O-CA 3.29Å; I174-S177 WeakPolarHBondContact O-CB 3.47Å; I174-S177 PolarHBondContact O-N 3.31Å; I174-S177 VanDerWaalsContact O-N 3.09Å; I174-E178 PolarHBondContact O-N 3.03Å; I174-E178 VanDerWaalsContact O-N 3.1Å; I174-I187 HydrophobicContact CD1-CD1 4.1Å; I174-I187 HydrophobicContact CG1-CD1 3.6Å; I174-I187 HydrophobicContact CG1-CG1 4.47Å; I174-I543 HydrophobicContact CD1-CD1 3.57Å
175Q94.1Very high94.1Very high1 Ų117.4 Ų17.41%0.00511%0.105CC..Hα-helixtrans-62.4-40179-71.4170.4-11.200112.9R171 R172 S177 E178 I179 H614 D670 L671R171-Q175 PolarHBondContact O-N 2.74Å; R172-Q175 VanDerWaalsContact NE-OE1 3.14Å; R172-Q175 PolarHBondContact O-N 3.15Å; Q175-S177 VanDerWaalsContact C-N 3.27Å; Q175-S177 PolarHBondContact O-N 3.2Å; Q175-E178 WeakPolarHBondContact O-CB 3.41Å; Q175-E178 PolarHBondContact O-N 3.47Å; Q175-E178 VanDerWaalsContact O-N 3.15Å; Q175-I179 PolarHBondContact O-N 2.65Å; Q175-I179 VanDerWaalsContact O-N 3.14Å; Q175-H614 VanDerWaalsContact CG-CE1 3.44Å; Q175-H614 WeakPolarHBondContact CG-CE1 3.14Å; Q175-H614 WeakPolarHBondContact CG-NE2 3.47Å; Q175-H614 PolarHBondContact NE2-CE1 3.28Å; Q175-D670 VanDerWaalsContact NE2-CA 3.33Å; Q175-D670 PolarHBondContact NE2-OD1 2.93Å; Q175-L671 HydrophobicContact CB-CD1 4.1Å
176V95.8Very high94.4Very high0 Ų017.1 Ų17.10%010%0.104CC..Hα-helixtrans-62.5-36.6174.6170.50000111.3L89 D132 V135 A136 F139 R172 L173 I174 E178 I179 A180L89-V176 HydrophobicContact CD2-CG2 4Å; D132-V176 HydrophobicContact CB-CG2 3.72Å; V135-V176 HydrophobicContact CB-CG1 3.76Å; V135-V176 HydrophobicContact CG1-CG1 3.66Å; A136-V176 HydrophobicContact CB-CG1 4.05Å; F139-V176 HydrophobicContact CD2-CG1 3.84Å; F139-V176 HydrophobicContact CE2-CB 4.43Å; F139-V176 HydrophobicContact CE2-CG1 3.83Å; R172-V176 HydrophobicContact CG-CG2 4.49Å; R172-V176 VanDerWaalsContact O-CG2 3.3Å; R172-V176 WeakPolarHBondContact O-CG2 3.39Å; R172-V176 PolarHBondContact O-N 2.85Å; L173-V176 PolarHBondContact O-N 2.94Å; I174-V176 VanDerWaalsContact C-N 3.35Å; I174-V176 PolarHBondContact O-N 3.12Å; V176-E178 VanDerWaalsContact C-N 3.34Å; V176-I179 WeakPolarHBondContact O-CB 3.35Å; V176-I179 PolarHBondContact O-N 2.95Å; V176-A180 PolarHBondContact O-N 3.35Å; V176-A180 VanDerWaalsContact O-N 3.14Å
177S96.1Very high94.7Very high0 Ų016.9 Ų16.90%010%0.101CC..Hα-helixtrans-65.3-34.9173.4-61.70000112.9F139 L159 L173 I174 Q175 I179 A180 G181 L182 V184F139-S177 VanDerWaalsContact CE2-OG 3.27Å; F139-S177 WeakPolarHBondContact CE2-OG 3.48Å; L159-S177 WeakPolarHBondContact CD1-OG 3.12Å; L173-S177 PolarHBondContact O-N 3.11Å; L173-S177 PolarHBondContact O-OG 3.13Å; L173-S177 VanDerWaalsContact O-OG 3.13Å; I174-S177 WeakPolarHBondContact O-CA 3.29Å; I174-S177 WeakPolarHBondContact O-CB 3.47Å; I174-S177 PolarHBondContact O-N 3.31Å; I174-S177 VanDerWaalsContact O-N 3.09Å; Q175-S177 VanDerWaalsContact C-N 3.27Å; Q175-S177 PolarHBondContact O-N 3.2Å; S177-I179 VanDerWaalsContact C-N 3.35Å; S177-A180 CarbonylContact O-C 3.57Å; S177-A180 PolarHBondContact O-N 3.33Å; S177-A180 VanDerWaalsContact O-N 3.14Å; S177-G181 PolarHBondContact O-N 2.95Å; S177-L182 CarbonylContact C-O 3.56Å; S177-L182 PolarHBondContact O-N 3.32Å; S177-V184 VanDerWaalsContact OG-CG2 3.27Å; S177-V184 WeakPolarHBondContact OG-CG2 3.41Å
178E94.9Very high95Very high43 Ų4316.7 Ų16.720%0.20110%0.101CC..Hα-helixtrans-65.1-36.9172.9-61.5-170.4142.500112.5I174 Q175 V176 A180 G181 H614 L676 Q680I174-E178 PolarHBondContact O-N 3.03Å; I174-E178 VanDerWaalsContact O-N 3.1Å; Q175-E178 WeakPolarHBondContact O-CB 3.41Å; Q175-E178 PolarHBondContact O-N 3.47Å; Q175-E178 VanDerWaalsContact O-N 3.15Å; V176-E178 VanDerWaalsContact C-N 3.34Å; E178-A180 VanDerWaalsContact C-N 3.27Å; E178-A180 PolarHBondContact O-N 2.88Å; E178-G181 PolarHBondContact O-N 3.48Å; E178-H614 IonicContact OE1-CD2 3.8Å; E178-H614 PolarHBondContact OE1-CD2 2.85Å; E178-H614 VanDerWaalsContact OE1-CD2 3.24Å; E178-H614 IonicContact OE1-CG 3.7Å; E178-H614 IonicContact OE2-CD2 3.13Å; E178-H614 PolarHBondContact OE2-CD2 2.74Å; E178-H614 VanDerWaalsContact OE2-CD2 3.25Å; E178-H614 IonicContact OE2-CG 2.71Å; E178-L676 HydrophobicContact CB-CD1 4.26Å; E178-Q680 PolarHBondContact O-NE2 3.04Å
179I95.9Very high95.3Very high1 Ų116.3 Ų16.31%0.00510%0.097CC..Hα-helixtrans-60.7-41.9172-59.9169.7000110D132 A136 Q175 V176 S177 G181 L671 L676 Q680 L683D132-I179 HydrophobicContact CB-CD1 4.13Å; A136-I179 HydrophobicContact CB-CB 3.81Å; A136-I179 HydrophobicContact CB-CG2 3.59Å; Q175-I179 PolarHBondContact O-N 2.65Å; Q175-I179 VanDerWaalsContact O-N 3.14Å; V176-I179 WeakPolarHBondContact O-CB 3.35Å; V176-I179 PolarHBondContact O-N 2.95Å; S177-I179 VanDerWaalsContact C-N 3.35Å; I179-G181 VanDerWaalsContact C-N 3.27Å; I179-G181 PolarHBondContact O-N 3.5Å; I179-L671 HydrophobicContact CD1-CD1 3.88Å; I179-L671 HydrophobicContact CG1-CD1 4.4Å; I179-L676 HydrophobicContact CB-CD1 4.39Å; I179-L676 HydrophobicContact CG1-CD1 3.54Å; I179-Q680 HydrophobicContact CG2-CG 4.41Å; I179-L683 HydrophobicContact CG2-CD2 3.79Å
180A94.9Very high95.5Very high5 Ų516.6 Ų16.64%0.04110%0.099CC..THydrogen-bonded Turntrans-77.5-5.1179.600000114.4A136 F139 E140 V176 S177 E178 L182A136-A180 HydrophobicContact CB-CB 4.28Å; F139-A180 HydrophobicContact CB-CB 3.57Å; F139-A180 HydrophobicContact CD2-CB 4.39Å; E140-A180 HydrophobicContact CG-CB 4.27Å; V176-A180 PolarHBondContact O-N 3.35Å; V176-A180 VanDerWaalsContact O-N 3.14Å; S177-A180 CarbonylContact O-C 3.57Å; S177-A180 PolarHBondContact O-N 3.33Å; S177-A180 VanDerWaalsContact O-N 3.14Å; E178-A180 VanDerWaalsContact C-N 3.27Å; E178-A180 PolarHBondContact O-N 2.88Å; A180-L182 HydrophobicContact CB-CD1 4.48Å
181G92.6Very high95.6Very high57 Ų5716.4 Ų16.459%0.58810%0.099SC*.THydrogen-bonded Turntrans76.522.6-178.200000115S177 E178 I179S177-G181 PolarHBondContact O-N 2.95Å; E178-G181 PolarHBondContact O-N 3.48Å; I179-G181 VanDerWaalsContact C-N 3.27Å; I179-G181 PolarHBondContact O-N 3.5Å
182L94.3Very high95.8Very high7 Ų715.8 Ų15.84%0.03710%0.097CC..  trans-105.4132.6-179.5-69.3175.2000111.7M21 I23 F139 H143 S177 A180M21-L182 HydrophobicContact SD-CD2 4.44Å; I23-L182 HydrophobicContact CD1-CD1 3.93Å; F139-L182 HydrophobicContact CB-CD1 3.97Å; F139-L182 HydrophobicContact CG-CD1 4.42Å; H143-L182 HydrophobicContact CB-CD1 4.42Å; H143-L182 HydrophobicContact CB-CD2 4.03Å; S177-L182 CarbonylContact C-O 3.56Å; S177-L182 PolarHBondContact O-N 3.32Å; A180-L182 HydrophobicContact CB-CD1 4.48Å
183N94.9Very high96Very high58 Ų5815.7 Ų15.731%0.3110%0.096SC..EExtended strand (participates in β ladder)trans-89.2114.1171-174.416.6000110.8K155 T156 C157 L185 N611K155-N183 WeakPolarHBondContact O-CB 3.46Å; K155-N183 PolarHBondContact O-N 3.11Å; T156-N183 CarbonylContact C-O 3.46Å; T156-N183 WeakPolarHBondContact CA-O 3.34Å; T156-N183 HydrophobicContact CG2-CB 4.31Å; C157-N183 PolarHBondContact N-O 3.48Å; N183-L185 PolarHBondContact O-N 2.91Å; N183-N611 PolarHBondContact ND2-OD1 2.9Å
184V97Very high96.2Very high25 Ų2515.9 Ų15.915%0.15210%0.098CC..EExtended strand (participates in β ladder)trans-83.9111.2-179.4-177.10000110C157 L159 S177 I187C157-V184 CarbonylContact O-C 3.59Å; C157-V184 WeakPolarHBondContact O-CA 3.32Å; L159-V184 HydrophobicContact CD1-CG1 4.13Å; L159-V184 HydrophobicContact CD1-CG2 3.69Å; L159-V184 HydrophobicContact CG-CG1 4.18Å; L159-V184 HydrophobicContact CG-CG2 4.23Å; S177-V184 VanDerWaalsContact OG-CG2 3.27Å; S177-V184 WeakPolarHBondContact OG-CG2 3.41Å; V184-I187 HydrophobicContact CG1-CG1 3.95Å
185L96.3Very high96.3Very high45 Ų4514.1 Ų14.124%0.2369%0.089CC..EExtended strand (participates in β ladder)trans-74.1-38.7175.5-63.1175.5000112T156 C157 V158 N183 H411 T412T156-L185 HydrophobicContact CG2-CD1 4.41Å; T156-L185 HydrophobicContact CG2-CD2 3.98Å; T156-L185 HydrophobicContact CG2-CG 4.26Å; C157-L185 PolarHBondContact O-N 3.12Å; V158-L185 HydrophobicContact CG2-CB 4.08Å; N183-L185 PolarHBondContact O-N 2.91Å; L185-H411 HydrophobicContact CB-CB 4.15Å; L185-H411 HydrophobicContact CD1-CB 4.08Å; L185-T412 VanDerWaalsContact CD1-OG1 3.31Å; L185-T412 WeakPolarHBondContact CD1-OG1 3.49Å
186Q97.5Very high96.5Very high13 Ų1314.1 Ų14.16%0.0619%0.088CC..EExtended strand (participates in β ladder)trans-156.2145.6179.8-166-175.113.400110.9V158 L159 Q407 H411 H540 N541V158-Q186 WeakPolarHBondContact CA-O 3.47Å; V158-Q186 HydrophobicContact CG1-CB 4.2Å; V158-Q186 WeakPolarHBondContact CG1-O 3.27Å; V158-Q186 HydrophobicContact CG2-CB 4Å; L159-Q186 PolarHBondContact N-O 3.46Å; Q186-Q407 VanDerWaalsContact OE1-CB 3.32Å; Q186-Q407 VanDerWaalsContact OE1-CG 3.31Å; Q186-H411 PolarHBondContact OE1-NE2 2.68Å; Q186-H540 HydrophobicContact CG-CB 4.44Å; Q186-H540 PolarHBondContact NE2-O 2.75Å; Q186-H540 VanDerWaalsContact NE2-O 3.1Å; Q186-N541 VanDerWaalsContact CA-OD1 3.25Å; Q186-N541 WeakPolarHBondContact CA-OD1 3.46Å
187I97.9Very high96.5Very high0 Ų015 Ų150%09%0.093CC..EExtended strand (participates in β ladder)trans-101.4116.3158.9-63.3178.4000108.2L159 V161 R170 L173 I174 V184 N541L159-I187 WeakPolarHBondContact O-CA 3.13Å; V161-I187 HydrophobicContact CB-CG2 4.14Å; V161-I187 HydrophobicContact CG1-CG2 3.6Å; V161-I187 HydrophobicContact CG2-CG2 3.41Å; V161-I187 VanDerWaalsContact CG2-CG2 3.41Å; R170-I187 HydrophobicContact CB-CD1 4.34Å; R170-I187 VanDerWaalsContact O-CD1 3.31Å; R170-I187 WeakPolarHBondContact O-CD1 2.97Å; L173-I187 HydrophobicContact CB-CD1 4.26Å; L173-I187 HydrophobicContact CD2-CD1 4.32Å; I174-I187 HydrophobicContact CD1-CD1 4.1Å; I174-I187 HydrophobicContact CG1-CD1 3.6Å; I174-I187 HydrophobicContact CG1-CG1 4.47Å; V184-I187 HydrophobicContact CG1-CG1 3.95Å; I187-N541 HydrophobicContact CB-CB 4.2Å; I187-N541 PolarHBondContact N-OD1 3.33Å; I187-N541 WeakPolarHBondContact O-CA 3.48Å
188I98Very high96.6Very high4 Ų415.1 Ų15.12%0.0219%0.094CC..EExtended strand (participates in β ladder)trans-109.6144.2177.4-172.2166000110.1V158 L159 T160 V161 A193 L196 A404 Q407V158-I188 HydrophobicContact CG1-CG2 3.82Å; L159-I188 PolarHBondContact O-N 2.9Å; T160-I188 CarbonylContact C-O 3.53Å; T160-I188 VanDerWaalsContact CA-O 3.25Å; T160-I188 WeakPolarHBondContact CA-O 3.45Å; T160-I188 HydrophobicContact CG2-CG2 4.31Å; V161-I188 PolarHBondContact N-O 3.21Å; I188-A193 HydrophobicContact CD1-CB 4.08Å; I188-A193 HydrophobicContact CG1-CB 4.25Å; I188-A193 HydrophobicContact CG2-CB 3.98Å; I188-L196 HydrophobicContact CD1-CD2 4.32Å; I188-A404 HydrophobicContact CG2-CB 3.99Å; I188-Q407 HydrophobicContact CD1-CG 3.97Å
189N97.6Very high96.7Very high3 Ų313 Ų132%0.0168%0.084CC..EExtended strand (participates in β ladder)trans-65.8139.4171.4-62.1-30.5000110.3V161 R170 N191 S192 A193 D424V161-N189 CarbonylContact O-C 3.4Å; V161-N189 WeakPolarHBondContact O-CA 3.44Å; R170-N189 PolarHBondContact NH1-OD1 2.91Å; R170-N189 VanDerWaalsContact NH1-OD1 3.1Å; R170-N189 PolarHBondContact NH2-OD1 2.89Å; N189-N191 WeakPolarHBondContact CB-OD1 3.41Å; N189-N191 PolarHBondContact O-N 2.84Å; N189-S192 CarbonylContact O-C 3.52Å; N189-S192 WeakPolarHBondContact O-CB 3.13Å; N189-S192 PolarHBondContact O-N 3.32Å; N189-S192 VanDerWaalsContact O-N 3.1Å; N189-A193 PolarHBondContact O-N 2.92Å; N189-D424 VanDerWaalsContact ND2-CG 3.3Å; N189-D424 PolarHBondContact ND2-OD1 3.25Å; N189-D424 PolarHBondContact ND2-OD2 3.14Å
190D96.7Very high96.6Very high23 Ų2314.6 Ų14.612%0.1239%0.092CC..Hα-helixtrans-54.9-47.7179.154.71.6000112.5V161 P162 S163 S192 A193 V194V161-D190 PolarHBondContact O-N 2.9Å; P162-D190 WeakPolarHBondContact CA-OD2 3.38Å; S163-D190 PolarHBondContact N-OD1 3.45Å; D190-S192 VanDerWaalsContact C-N 3.33Å; D190-S192 PolarHBondContact O-N 3.32Å; D190-A193 PolarHBondContact O-N 3.45Å; D190-V194 VanDerWaalsContact O-CG2 3.31Å; D190-V194 WeakPolarHBondContact O-CG2 3.19Å; D190-V194 PolarHBondContact O-N 2.91Å
191N96.7Very high96.5Very high6 Ų620 Ų203%0.03212%0.12CC..Hα-helixtrans-59.5-40.5174.966.1-25.8000112.7S163 N189 A195 T224 T226S163-N191 WeakPolarHBondContact CB-OD1 3.5Å; N189-N191 WeakPolarHBondContact CB-OD1 3.41Å; N189-N191 PolarHBondContact O-N 2.84Å; N191-A195 WeakPolarHBondContact O-CB 3.24Å; N191-A195 PolarHBondContact O-N 2.84Å; N191-T224 HydrophobicContact CB-CG2 4.36Å; N191-T226 HydrophobicContact CB-CG2 4.4Å; N191-T226 WeakPolarHBondContact CB-OG1 3.21Å; N191-T226 PolarHBondContact ND2-OG1 3.05Å
192S97.7Very high96.6Very high0 Ų020.9 Ų20.90%011%0.105CC..Hα-helixtrans-69.9-37.3176.7-63.20000112.1N189 D190 A195 L196 D424N189-S192 CarbonylContact O-C 3.52Å; N189-S192 WeakPolarHBondContact O-CB 3.13Å; N189-S192 PolarHBondContact O-N 3.32Å; N189-S192 VanDerWaalsContact O-N 3.1Å; D190-S192 VanDerWaalsContact C-N 3.33Å; D190-S192 PolarHBondContact O-N 3.32Å; S192-A195 PolarHBondContact O-N 3.46Å; S192-L196 VanDerWaalsContact O-CB 3.27Å; S192-L196 WeakPolarHBondContact O-CB 3.22Å; S192-L196 PolarHBondContact O-N 2.61Å; S192-D424 VanDerWaalsContact CB-OD2 3.25Å; S192-D424 WeakPolarHBondContact CB-OD2 3.32Å; S192-D424 PolarHBondContact OG-OD1 3.47Å; S192-D424 VanDerWaalsContact OG-OD1 3.14Å; S192-D424 PolarHBondContact OG-OD2 2.94Å
193A98.1Very high96.6Very high0 Ų022.1 Ų22.10%011%0.111CC..Hα-helixtrans-66.3-42.1175.300000111.4T160 I188 N189 D190 L196 N197 A400 G403T160-A193 HydrophobicContact CG2-CB 4.34Å; I188-A193 HydrophobicContact CD1-CB 4.08Å; I188-A193 HydrophobicContact CG1-CB 4.25Å; I188-A193 HydrophobicContact CG2-CB 3.98Å; N189-A193 PolarHBondContact O-N 2.92Å; D190-A193 PolarHBondContact O-N 3.45Å; A193-L196 PolarHBondContact O-N 2.73Å; A193-N197 PolarHBondContact O-N 3.45Å; A193-A400 WeakPolarHBondContact CB-O 3.25Å; A193-G403 WeakPolarHBondContact O-CA 3.41Å
194V97.6Very high96.5Very high6 Ų628 Ų284%0.03613%0.133CC..Hα-helixtrans-60.6-48.5172.8168.10000111.3D190 L196 N197 F198 F215 M368 V394 A399 A400D190-V194 VanDerWaalsContact O-CG2 3.31Å; D190-V194 WeakPolarHBondContact O-CG2 3.19Å; D190-V194 PolarHBondContact O-N 2.91Å; V194-L196 VanDerWaalsContact C-N 3.32Å; V194-L196 PolarHBondContact O-N 2.92Å; V194-N197 PolarHBondContact O-N 3.03Å; V194-F198 PolarHBondContact O-N 2.98Å; V194-F215 HydrophobicContact CG1-CD1 3.71Å; V194-F215 HydrophobicContact CG1-CE1 4.07Å; V194-M368 HydrophobicContact CB-CE 4.19Å; V194-M368 HydrophobicContact CG1-CE 3.39Å; V194-M368 HydrophobicContact CG1-CG 3.86Å; V194-M368 HydrophobicContact CG1-SD 3.57Å; V194-M368 VanDerWaalsContact CG1-SD 3.57Å; V194-M368 HydrophobicContact CG2-CE 3.66Å; V194-V394 HydrophobicContact CG1-CG1 4.41Å; V194-A399 HydrophobicContact CG1-CB 4.44Å; V194-A399 HydrophobicContact CG2-CB 4.21Å; V194-A400 HydrophobicContact CG2-CB 3.89Å
195A97.7Very high96.3Very high0 Ų030.5 Ų30.50%015%0.152CC..Hα-helixtrans-59.8-44.7177.200000110.8N191 S192 N197 F198 G199 F215 A228 Y230 L247 I249N191-A195 WeakPolarHBondContact O-CB 3.24Å; N191-A195 PolarHBondContact O-N 2.84Å; S192-A195 PolarHBondContact O-N 3.46Å; A195-N197 PolarHBondContact O-N 3.35Å; A195-F198 WeakPolarHBondContact O-CB 3.47Å; A195-F198 PolarHBondContact O-N 3.42Å; A195-G199 PolarHBondContact O-N 2.94Å; A195-F215 HydrophobicContact CB-CD2 4.16Å; A195-F215 HydrophobicContact CB-CE2 3.81Å; A195-F215 HydrophobicContact CB-CZ 4.03Å; A195-A228 HydrophobicContact CB-CB 4.49Å; A195-Y230 WeakPolarHBondContact CA-OH 3.45Å; A195-Y230 VanDerWaalsContact CB-OH 3.29Å; A195-Y230 WeakPolarHBondContact CB-OH 3.17Å; A195-Y230 PolarHBondContact O-OH 3.49Å; A195-L247 HydrophobicContact CB-CD1 3.98Å; A195-L247 HydrophobicContact CB-CD2 3.72Å; A195-I249 HydrophobicContact CB-CD1 4.36Å
196L97.8Very high96.3Very high0 Ų028.8 Ų28.80%014%0.143CC..Hα-helixtrans-58.3-47175.5178.258000111.7I188 S192 A193 V194 F198 G199 L200 L247 Y406 Q407 F420 V422I188-L196 HydrophobicContact CD1-CD2 4.32Å; S192-L196 VanDerWaalsContact O-CB 3.27Å; S192-L196 WeakPolarHBondContact O-CB 3.22Å; S192-L196 PolarHBondContact O-N 2.61Å; A193-L196 PolarHBondContact O-N 2.73Å; V194-L196 VanDerWaalsContact C-N 3.32Å; V194-L196 PolarHBondContact O-N 2.92Å; L196-F198 VanDerWaalsContact C-N 3.33Å; L196-F198 PolarHBondContact O-N 3.09Å; L196-G199 PolarHBondContact O-N 3.4Å; L196-L200 HydrophobicContact CD1-CD1 4.15Å; L196-L200 HydrophobicContact CD1-CD2 4.5Å; L196-L200 HydrophobicContact CD1-CG 4.05Å; L196-L200 HydrophobicContact CG-CD1 3.93Å; L196-L200 HydrophobicContact CG-CG 4.33Å; L196-L200 WeakPolarHBondContact O-CB 3.44Å; L196-L200 VanDerWaalsContact O-CG 3.23Å; L196-L200 WeakPolarHBondContact O-CG 3.29Å; L196-L200 PolarHBondContact O-N 3.24Å; L196-L247 HydrophobicContact CB-CD2 4.08Å; L196-Y406 HydrophobicContact CD1-CD1 4.4Å; L196-Y406 HydrophobicContact CD1-CE1 4.19Å; L196-Y406 HydrophobicContact CD2-CD1 3.79Å; L196-Y406 HydrophobicContact CD2-CE1 4.21Å; L196-Y406 HydrophobicContact CG-CD1 4.24Å; L196-Q407 HydrophobicContact CD2-CG 3.77Å; L196-Q407 VanDerWaalsContact CD2-NE2 3.28Å; L196-F420 HydrophobicContact CD1-CB 4.19Å; L196-F420 HydrophobicContact CD1-CD1 3.69Å; L196-F420 HydrophobicContact CD1-CD2 4.17Å; L196-F420 HydrophobicContact CD1-CE1 4.1Å; L196-F420 HydrophobicContact CD1-CG 3.75Å; L196-F420 HydrophobicContact CD1-CZ 4.49Å; L196-V422 HydrophobicContact CD1-CG2 3.85Å; L196-V422 HydrophobicContact CD2-CG2 4.13Å; L196-V422 HydrophobicContact CG-CG2 4.47Å
197N97.2Very high96.2Very high18 Ų1832 Ų3210%0.09616%0.16CC..Hα-helixtrans-59.1-43.2176.3-175.4-101.8000112.4A193 V194 A195 G199 L200 L201 A399 L402A193-N197 PolarHBondContact O-N 3.45Å; V194-N197 PolarHBondContact O-N 3.03Å; A195-N197 PolarHBondContact O-N 3.35Å; N197-G199 VanDerWaalsContact C-N 3.35Å; N197-G199 PolarHBondContact O-N 3.42Å; N197-L200 PolarHBondContact O-N 3.42Å; N197-L201 WeakPolarHBondContact O-CG 3.46Å; N197-L201 PolarHBondContact O-N 3.04Å; N197-A399 HydrophobicContact CB-CB 4.19Å; N197-A399 WeakPolarHBondContact CB-O 3.12Å; N197-L402 VanDerWaalsContact ND2-CB 3.29Å; N197-L402 WeakPolarHBondContact ND2-CB 3.34Å
198F96.8Very high96.1Very high3 Ų338.8 Ų38.81%0.01319%0.192CC..Hα-helixtrans-58.5-46.5174.6174.4-96.1000112.2V194 A195 L196 R202 F206 Y213 F215 Y230 I366 V394V194-F198 PolarHBondContact O-N 2.98Å; A195-F198 WeakPolarHBondContact O-CB 3.47Å; A195-F198 PolarHBondContact O-N 3.42Å; L196-F198 VanDerWaalsContact C-N 3.33Å; L196-F198 PolarHBondContact O-N 3.09Å; F198-R202 PolarHBondContact O-NH1 3.3Å; F198-F206 HydrophobicContact CE1-CZ 4.17Å; F198-Y213 AromaticContact CE1-CD1 3.9Å; F198-Y213 HydrophobicContact CE1-CD1 3.9Å; F198-Y213 HydrophobicContact CE1-CD2 4.29Å; F198-Y213 AromaticContact CE1-CE1 3.88Å; F198-Y213 HydrophobicContact CE1-CE1 3.88Å; F198-Y213 HydrophobicContact CE1-CE2 4.25Å; F198-Y213 HydrophobicContact CE1-CG 4.11Å; F198-Y213 AromaticContact CZ-CD1 3.76Å; F198-Y213 HydrophobicContact CZ-CD1 3.76Å; F198-Y213 AromaticContact CZ-CE1 3.58Å; F198-Y213 HydrophobicContact CZ-CE1 3.58Å; F198-Y213 HydrophobicContact CZ-CG 4.43Å; F198-F215 HydrophobicContact CB-CE1 3.77Å; F198-F215 HydrophobicContact CB-CZ 3.74Å; F198-F215 HydrophobicContact CD1-CE1 4.47Å; F198-F215 AromaticContact CD1-CZ 3.77Å; F198-F215 HydrophobicContact CD1-CZ 3.77Å; F198-F215 HydrophobicContact CD2-CE1 4.48Å; F198-F215 HydrophobicContact CE1-CZ 4.5Å; F198-F215 HydrophobicContact CG-CE1 4Å; F198-F215 AromaticContact CG-CZ 3.76Å; F198-F215 HydrophobicContact CG-CZ 3.76Å; F198-Y230 HydrophobicContact CD1-CE1 4.4Å; F198-Y230 AromaticContact CD1-CE2 3.78Å; F198-Y230 HydrophobicContact CD1-CE2 3.78Å; F198-Y230 AromaticContact CD1-CZ 3.68Å; F198-Y230 HydrophobicContact CE1-CD2 4.49Å; F198-Y230 AromaticContact CE1-CE2 3.98Å; F198-Y230 HydrophobicContact CE1-CE2 3.98Å; F198-I366 HydrophobicContact CD1-CD1 4.26Å; F198-I366 HydrophobicContact CD2-CD1 3.64Å; F198-I366 HydrophobicContact CE1-CD1 4.09Å; F198-I366 HydrophobicContact CE2-CD1 3.44Å; F198-I366 VanDerWaalsContact CE2-CD1 3.44Å; F198-I366 HydrophobicContact CE2-CG1 4.44Å; F198-I366 HydrophobicContact CG-CD1 4.03Å; F198-I366 HydrophobicContact CZ-CD1 3.68Å; F198-V394 HydrophobicContact CB-CG2 3.83Å; F198-V394 HydrophobicContact CD2-CG2 3.53Å; F198-V394 HydrophobicContact CG-CG2 4.15Å
199G96.7Very high96Very high0 Ų043.4 Ų43.40%022%0.22CC..Hα-helixtrans-65.9-41179.900000112.9A195 L196 N197 L201 R202 F203A195-G199 PolarHBondContact O-N 2.94Å; L196-G199 PolarHBondContact O-N 3.4Å; N197-G199 VanDerWaalsContact C-N 3.35Å; N197-G199 PolarHBondContact O-N 3.42Å; G199-L201 PolarHBondContact O-N 3.26Å; G199-R202 CarbonylContact O-C 3.59Å; G199-R202 PolarHBondContact O-N 2.92Å; G199-F203 WeakPolarHBondContact O-CA 3.24Å; G199-F203 WeakPolarHBondContact O-CB 3.29Å; G199-F203 PolarHBondContact O-N 3.32Å
200L94.8Very high96Very high33 Ų3345.9 Ų45.917%0.17324%0.237CC..Hα-helixtrans-59-33.9179.4-75.6167000113.1L196 N197 R202 F203 Y406 F420L196-L200 HydrophobicContact CD1-CD1 4.15Å; L196-L200 HydrophobicContact CD1-CD2 4.5Å; L196-L200 HydrophobicContact CD1-CG 4.05Å; L196-L200 HydrophobicContact CG-CD1 3.93Å; L196-L200 HydrophobicContact CG-CG 4.33Å; L196-L200 WeakPolarHBondContact O-CB 3.44Å; L196-L200 VanDerWaalsContact O-CG 3.23Å; L196-L200 WeakPolarHBondContact O-CG 3.29Å; L196-L200 PolarHBondContact O-N 3.24Å; N197-L200 PolarHBondContact O-N 3.42Å; L200-R202 VanDerWaalsContact C-N 3.3Å; L200-F203 VanDerWaalsContact O-CD1 3.32Å; L200-F203 WeakPolarHBondContact O-CD1 3.28Å; L200-Y406 HydrophobicContact CD1-CD1 3.73Å; L200-Y406 HydrophobicContact CD1-CD2 3.55Å; L200-Y406 HydrophobicContact CD1-CE1 4.17Å; L200-Y406 HydrophobicContact CD1-CE2 4.03Å; L200-Y406 HydrophobicContact CD1-CG 3.38Å; L200-Y406 HydrophobicContact CD2-CD1 4.34Å; L200-Y406 HydrophobicContact CD2-CD2 3.73Å; L200-Y406 HydrophobicContact CD2-CE1 3.96Å; L200-Y406 HydrophobicContact CD2-CE2 3.3Å; L200-Y406 HydrophobicContact CD2-CG 4.22Å; L200-Y406 VanDerWaalsContact CD2-CZ 3.42Å; L200-Y406 HydrophobicContact CG-CD2 4.3Å; L200-Y406 HydrophobicContact CG-CE2 4.32Å; L200-Y406 HydrophobicContact CG-CG 4.44Å; L200-F420 HydrophobicContact CD2-CB 4.43Å; L200-F420 HydrophobicContact CD2-CD2 3.62Å; L200-F420 HydrophobicContact CD2-CE2 4.28Å; L200-F420 HydrophobicContact CD2-CG 4.35Å; L200-F420 HydrophobicContact CG-CD2 4.14Å; L200-F420 HydrophobicContact CG-CE2 4.4Å
201L92.8Very high96.1Very high120 Ų12046.5 Ų46.563%0.62824%0.239SC*.THydrogen-bonded Turntrans-79.8-12.6178.4-62.3174.5000113N197 G199N197-L201 WeakPolarHBondContact O-CG 3.46Å; N197-L201 PolarHBondContact O-N 3.04Å; G199-L201 PolarHBondContact O-N 3.26Å
202R94.8Very high96.1Very high74 Ų7448.6 Ų48.628%0.27925%0.247SC..THydrogen-bonded Turntrans-133-0.9-166.9-68.9174.9-178.576.61.6114.9F198 G199 L200 K204 S205 F206 G393F198-R202 PolarHBondContact O-NH1 3.3Å; G199-R202 CarbonylContact O-C 3.59Å; G199-R202 PolarHBondContact O-N 2.92Å; L200-R202 VanDerWaalsContact C-N 3.3Å; R202-K204 PolarHBondContact O-N 3.4Å; R202-S205 PolarHBondContact O-N 2.92Å; R202-S205 PolarHBondContact O-OG 3.49Å; R202-F206 HydrophobicContact CB-CE2 4.35Å; R202-F206 HydrophobicContact CB-CZ 4.07Å; R202-G393 PolarHBondContact NH2-O 2.89Å
203F93.7Very high96.1Very high34 Ų3449.4 Ų49.415%0.14925%0.25CS..G310 helixtrans-57.3-27.3-167.271.6-91.2000115.1G199 L200 S205 F206 Y232 P245 T418 F420G199-F203 WeakPolarHBondContact O-CA 3.24Å; G199-F203 WeakPolarHBondContact O-CB 3.29Å; G199-F203 PolarHBondContact O-N 3.32Å; L200-F203 VanDerWaalsContact O-CD1 3.32Å; L200-F203 WeakPolarHBondContact O-CD1 3.28Å; F203-S205 PolarHBondContact O-N 2.89Å; F203-F206 HydrophobicContact CB-CD2 4.39Å; F203-F206 PolarHBondContact O-N 3.17Å; F203-Y232 AromaticContact CD2-CD2 3.9Å; F203-Y232 HydrophobicContact CD2-CD2 3.9Å; F203-Y232 AromaticContact CD2-CE2 3.69Å; F203-Y232 HydrophobicContact CD2-CE2 3.69Å; F203-Y232 HydrophobicContact CE2-CE2 4.08Å; F203-P245 HydrophobicContact CB-CB 3.76Å; F203-P245 HydrophobicContact CB-CG 4.15Å; F203-P245 HydrophobicContact CD2-CG 4.25Å; F203-P245 HydrophobicContact CG-CB 4.38Å; F203-P245 HydrophobicContact CG-CG 4.27Å; F203-T418 HydrophobicContact CZ-CG2 4.44Å; F203-F420 HydrophobicContact CB-CE2 4.03Å
204K93.2Very high96.1Very high180 Ų18049.4 Ų49.478%0.78325%0.25SS*.G310 helixtrans-69.5-15.5176.8-61.9-177-179.5177.90114.2R202R202-K204 PolarHBondContact O-N 3.4Å
205S94Very high96.2Very high78 Ų7849.3 Ų49.355%0.54525%0.249SC..G310 helixtrans-92.1-9.1174.765.90000113.4R202 F203R202-S205 PolarHBondContact O-N 2.92Å; R202-S205 PolarHBondContact O-OG 3.49Å; F203-S205 PolarHBondContact O-N 2.89Å
206F95.5Very high96.2Very high10 Ų1049.3 Ų49.34%0.04425%0.249CC..  trans-81.9160.7173.9-54.5-44.2000110.8F198 R202 F203 Y213 Y230F198-F206 HydrophobicContact CE1-CZ 4.17Å; R202-F206 HydrophobicContact CB-CE2 4.35Å; R202-F206 HydrophobicContact CB-CZ 4.07Å; F203-F206 HydrophobicContact CB-CD2 4.39Å; F203-F206 PolarHBondContact O-N 3.17Å; F206-Y213 AromaticContact CE1-CE2 3.99Å; F206-Y213 HydrophobicContact CE1-CE2 3.99Å; F206-Y230 HydrophobicContact CD2-CD1 4.25Å; F206-Y230 HydrophobicContact CD2-CG 4.12Å; F206-Y230 HydrophobicContact CE1-CD2 4.37Å; F206-Y230 HydrophobicContact CE1-CG 4.13Å; F206-Y230 VanDerWaalsContact CE2-CB 3.48Å; F206-Y230 AromaticContact CE2-CD1 3.55Å; F206-Y230 HydrophobicContact CE2-CD1 3.55Å; F206-Y230 HydrophobicContact CE2-CD2 4.36Å; F206-Y230 HydrophobicContact CE2-CE1 4.4Å; F206-Y230 AromaticContact CE2-CG 3.53Å; F206-Y230 HydrophobicContact CE2-CG 3.53Å; F206-Y230 AromaticContact CZ-CD1 3.92Å; F206-Y230 HydrophobicContact CZ-CD1 3.92Å; F206-Y230 AromaticContact CZ-CD2 3.92Å; F206-Y230 HydrophobicContact CZ-CD2 3.92Å; F206-Y230 AromaticContact CZ-CG 3.54Å; F206-Y230 HydrophobicContact CZ-CG 3.54Å
207N95.6Very high96.1Very high79 Ų7950.9 Ų50.942%0.42226%0.257SS..  trans-135.1-172.5176.860.847.2000109.4T209 S231 Y232N207-T209 PolarHBondContact O-N 3.44Å; N207-T209 WeakPolarHBondContact OD1-CA 3.3Å; N207-T209 VanDerWaalsContact OD1-CB 3.24Å; N207-T209 WeakPolarHBondContact OD1-CB 3.34Å; N207-T209 PolarHBondContact OD1-N 3.22Å; N207-T209 PolarHBondContact OD1-O 3.39Å; N207-S231 CarbonylContact O-C 3.28Å; N207-S231 VanDerWaalsContact O-CA 3.3Å; N207-S231 WeakPolarHBondContact O-CA 3.11Å; N207-Y232 CarbonylContact C-O 3.53Å; N207-Y232 PolarHBondContact O-N 3.44Å
208E95.4Very high96.1Very high143 Ų14350 Ų5067%0.66825%0.253SS*.SBendtrans-64.9-23.7-177.6-62.7-172.9164.200113.1P210 Y232E208-P210 WeakPolarHBondContact O-CD 3.19Å; E208-Y232 PolarHBondContact N-O 3.46Å
209T96.3Very high96.1Very high101 Ų10150.8 Ų50.862%0.6226%0.261SS*.SBendtrans-78.9124.1175.9-55.80000110.1N207 Q211N207-T209 PolarHBondContact O-N 3.44Å; N207-T209 WeakPolarHBondContact OD1-CA 3.3Å; N207-T209 VanDerWaalsContact OD1-CB 3.24Å; N207-T209 WeakPolarHBondContact OD1-CB 3.34Å; N207-T209 PolarHBondContact OD1-N 3.22Å; N207-T209 PolarHBondContact OD1-O 3.39Å; T209-Q211 PolarHBondContact O-N 2.99Å
210P96.8Very high96Very high56 Ų5651.3 Ų51.336%0.36427%0.265SS..  trans-57.4130.3178-26.735.4000113.2E208 Y212 A229 Y230E208-P210 WeakPolarHBondContact O-CD 3.19Å; P210-Y212 HydrophobicContact CB-CE2 3.96Å; P210-Y212 WeakPolarHBondContact O-CE2 3.38Å; P210-A229 HydrophobicContact CB-CB 4.34Å; P210-Y230 CarbonylContact C-O 3.53Å; P210-Y230 WeakPolarHBondContact CA-O 3.21Å
211Q98Very high96Very high35 Ų3550.4 Ų50.416%0.16426%0.26CS..EExtended strand (participates in β ladder)trans-109.5127.1172.6-59.6-179.629.600109.4T209 Y213 A229 Y230 Q363T209-Q211 PolarHBondContact O-N 2.99Å; Q211-Y213 HydrophobicContact CB-CE2 3.83Å; Q211-Y213 PolarHBondContact OE1-OH 3.17Å; Q211-A229 CarbonylContact O-C 2.88Å; Q211-A229 VanDerWaalsContact O-CA 3.32Å; Q211-A229 WeakPolarHBondContact O-CA 3.37Å; Q211-Y230 PolarHBondContact N-O 2.89Å; Q211-Y230 PolarHBondContact O-N 3.23Å; Q211-Q363 HydrophobicContact CB-CG 4.48Å
212Y98.1Very high96.1Very high51 Ų5145.4 Ų45.420%0.224%0.235CC..EExtended strand (participates in β ladder)trans-102.5128.3-170.8-60.2-87.6000113.8P210 A228 A229 V250 F357 Q363P210-Y212 HydrophobicContact CB-CE2 3.96Å; P210-Y212 WeakPolarHBondContact O-CE2 3.38Å; Y212-A228 CarbonylContact C-O 3.49Å; Y212-A228 VanDerWaalsContact CA-O 3.27Å; Y212-A228 WeakPolarHBondContact CA-O 3.25Å; Y212-A229 HydrophobicContact CD1-CB 3.82Å; Y212-A229 HydrophobicContact CE1-CB 3.7Å; Y212-V250 HydrophobicContact CD1-CG2 4.22Å; Y212-V250 HydrophobicContact CE1-CG2 4.05Å; Y212-F357 AromaticContact CD1-CE2 3.56Å; Y212-F357 HydrophobicContact CD1-CE2 3.56Å; Y212-F357 AromaticContact CD1-CZ 3.85Å; Y212-F357 HydrophobicContact CD1-CZ 3.85Å; Y212-F357 HydrophobicContact CD2-CE2 4.04Å; Y212-F357 AromaticContact CD2-CZ 3.8Å; Y212-F357 HydrophobicContact CD2-CZ 3.8Å; Y212-F357 AromaticContact CE1-CE2 3.86Å; Y212-F357 HydrophobicContact CE1-CE2 3.86Å; Y212-F357 HydrophobicContact CE2-CE2 4.31Å; Y212-F357 HydrophobicContact CE2-CZ 4.47Å; Y212-F357 AromaticContact CG-CE2 3.66Å; Y212-F357 HydrophobicContact CG-CE2 3.66Å; Y212-F357 AromaticContact CG-CZ 3.45Å; Y212-F357 HydrophobicContact CG-CZ 3.45Å; Y212-F357 VanDerWaalsContact CG-CZ 3.45Å; Y212-Q363 VanDerWaalsContact C-OE1 3.26Å; Y212-Q363 VanDerWaalsContact CA-OE1 3.25Å; Y212-Q363 WeakPolarHBondContact O-CB 3.22Å; Y212-Q363 PolarHBondContact O-N 2.89Å; Y212-Q363 PolarHBondContact O-OE1 3.43Å
213Y97.9Very high96.2Very high17 Ų1741.9 Ų41.97%0.06722%0.222CC..EExtended strand (participates in β ladder)trans-128.7142.8179.6-64.8-100.8000109.3F198 F206 Q211 A228 Y230 Q363 Q364 I366F198-Y213 AromaticContact CE1-CD1 3.9Å; F198-Y213 HydrophobicContact CE1-CD1 3.9Å; F198-Y213 HydrophobicContact CE1-CD2 4.29Å; F198-Y213 AromaticContact CE1-CE1 3.88Å; F198-Y213 HydrophobicContact CE1-CE1 3.88Å; F198-Y213 HydrophobicContact CE1-CE2 4.25Å; F198-Y213 HydrophobicContact CE1-CG 4.11Å; F198-Y213 AromaticContact CZ-CD1 3.76Å; F198-Y213 HydrophobicContact CZ-CD1 3.76Å; F198-Y213 AromaticContact CZ-CE1 3.58Å; F198-Y213 HydrophobicContact CZ-CE1 3.58Å; F198-Y213 HydrophobicContact CZ-CG 4.43Å; F206-Y213 AromaticContact CE1-CE2 3.99Å; F206-Y213 HydrophobicContact CE1-CE2 3.99Å; Q211-Y213 HydrophobicContact CB-CE2 3.83Å; Q211-Y213 PolarHBondContact OE1-OH 3.17Å; Y213-A228 PolarHBondContact N-O 3.32Å; Y213-A228 PolarHBondContact O-N 3.26Å; Y213-Y230 AromaticContact CD2-CD2 3.52Å; Y213-Y230 HydrophobicContact CD2-CD2 3.52Å; Y213-Y230 AromaticContact CD2-CE2 3.77Å; Y213-Y230 HydrophobicContact CD2-CE2 3.77Å; Y213-Y230 AromaticContact CE2-CD2 3.88Å; Y213-Y230 HydrophobicContact CE2-CD2 3.88Å; Y213-Y230 HydrophobicContact CE2-CE2 4.42Å; Y213-Y230 HydrophobicContact CG-CD2 4.43Å; Y213-Y230 HydrophobicContact CG-CE2 4.25Å; Y213-Q363 HydrophobicContact CD1-CB 4.3Å; Y213-Q363 HydrophobicContact CE1-CB 3.88Å; Y213-Q363 HydrophobicContact CE2-CB 4.32Å; Y213-Q364 HydrophobicContact CD1-CB 3.92Å; Y213-Q364 HydrophobicContact CD1-CG 4.49Å; Y213-Q364 HydrophobicContact CE1-CB 4.12Å; Y213-Q364 HydrophobicContact CE1-CG 4.19Å; Y213-I366 HydrophobicContact CD1-CD1 3.95Å; Y213-I366 HydrophobicContact CG-CD1 4.45Å
214V98.2Very high96.3Very high0 Ų040.3 Ų40.30%022%0.216CC..EExtended strand (participates in β ladder)trans-99.5125.61691690000108.7F216 T226 L227 F350 I353 M354 L362 Q364 V365 I366V214-F216 HydrophobicContact CG1-CB 4.42Å; V214-T226 CarbonylContact C-O 3.56Å; V214-T226 VanDerWaalsContact CA-O 3.27Å; V214-T226 WeakPolarHBondContact CA-O 3.29Å; V214-L227 HydrophobicContact CG2-CD1 3.99Å; V214-F350 HydrophobicContact CB-CE2 4.36Å; V214-F350 HydrophobicContact CG1-CD2 4.09Å; V214-F350 HydrophobicContact CG1-CE2 3.95Å; V214-F350 HydrophobicContact CG2-CE2 4.26Å; V214-I353 HydrophobicContact CB-CD1 4.45Å; V214-I353 HydrophobicContact CG1-CD1 3.84Å; V214-I353 HydrophobicContact CG2-CD1 3.78Å; V214-M354 HydrophobicContact CG2-SD 4.11Å; V214-L362 HydrophobicContact CB-CD1 4.17Å; V214-L362 HydrophobicContact CG2-CD1 3.64Å; V214-L362 HydrophobicContact CG2-CD2 4.15Å; V214-Q364 PolarHBondContact N-O 2.77Å; V214-V365 HydrophobicContact CB-CG1 4.49Å; V214-V365 HydrophobicContact CB-CG2 4.29Å; V214-V365 HydrophobicContact CG1-CG1 4.23Å; V214-V365 CarbonylContact O-C 3.56Å; V214-V365 WeakPolarHBondContact O-CA 3.44Å; V214-I366 PolarHBondContact O-N 3.43Å
215F98Very high96.6Very high4 Ų431.8 Ų31.82%0.01818%0.178CC..EExtended strand (participates in β ladder)trans-99.3117.5165.7-62.9-95.7000107.8V194 A195 F198 A225 T226 A228 Y230 I366 M368V194-F215 HydrophobicContact CG1-CD1 3.71Å; V194-F215 HydrophobicContact CG1-CE1 4.07Å; A195-F215 HydrophobicContact CB-CD2 4.16Å; A195-F215 HydrophobicContact CB-CE2 3.81Å; A195-F215 HydrophobicContact CB-CZ 4.03Å; F198-F215 HydrophobicContact CB-CE1 3.77Å; F198-F215 HydrophobicContact CB-CZ 3.74Å; F198-F215 HydrophobicContact CD1-CE1 4.47Å; F198-F215 AromaticContact CD1-CZ 3.77Å; F198-F215 HydrophobicContact CD1-CZ 3.77Å; F198-F215 HydrophobicContact CD2-CE1 4.48Å; F198-F215 HydrophobicContact CE1-CZ 4.5Å; F198-F215 HydrophobicContact CG-CE1 4Å; F198-F215 AromaticContact CG-CZ 3.76Å; F198-F215 HydrophobicContact CG-CZ 3.76Å; F215-A225 WeakPolarHBondContact O-CA 3.49Å; F215-T226 PolarHBondContact N-O 3.42Å; F215-T226 PolarHBondContact O-N 3.12Å; F215-A228 HydrophobicContact CD2-CB 4.07Å; F215-A228 HydrophobicContact CE2-CB 3.83Å; F215-Y230 HydrophobicContact CE2-CE2 4.18Å; F215-Y230 WeakPolarHBondContact CE2-OH 3.06Å; F215-Y230 HydrophobicContact CZ-CE2 4.33Å; F215-Y230 VanDerWaalsContact CZ-OH 3.22Å; F215-Y230 WeakPolarHBondContact CZ-OH 3.44Å; F215-I366 HydrophobicContact CD1-CB 3.92Å; F215-I366 HydrophobicContact CD1-CD1 4.01Å; F215-I366 HydrophobicContact CD1-CG2 3.96Å; F215-I366 HydrophobicContact CE1-CB 4.12Å; F215-I366 HydrophobicContact CE1-CD1 3.38Å; F215-I366 HydrophobicContact CE1-CG1 4.34Å; F215-I366 HydrophobicContact CE1-CG2 4.06Å; F215-I366 HydrophobicContact CE2-CD1 4.21Å; F215-I366 HydrophobicContact CZ-CD1 3.48Å; F215-I366 VanDerWaalsContact CZ-CD1 3.48Å; F215-M368 HydrophobicContact CD1-CG 4.48Å
216F97.7Very high96.8Very high0 Ų028.1 Ų28.10%015%0.153CC..EExtended strand (participates in β ladder)trans-113.3106.6-178.5-159.4-83.1000109.5V214 I218 T223 A225 V346 P349 F350 V365 I366 M368 T372 L381V214-F216 HydrophobicContact CG1-CB 4.42Å; F216-I218 HydrophobicContact CD1-CG1 4.15Å; F216-I218 HydrophobicContact CE1-CD1 3.91Å; F216-I218 HydrophobicContact CE1-CG1 3.75Å; F216-T223 HydrophobicContact CE1-CG2 3.82Å; F216-T223 HydrophobicContact CZ-CG2 3.77Å; F216-A225 HydrophobicContact CD2-CB 3.7Å; F216-A225 HydrophobicContact CE2-CB 3.78Å; F216-V346 HydrophobicContact CE1-CG1 4.26Å; F216-V346 HydrophobicContact CZ-CG1 4.15Å; F216-V346 WeakPolarHBondContact CZ-O 3.36Å; F216-P349 HydrophobicContact CE2-CB 4.21Å; F216-P349 HydrophobicContact CZ-CB 4.45Å; F216-F350 HydrophobicContact CD2-CB 4.31Å; F216-F350 HydrophobicContact CD2-CD2 4.15Å; F216-F350 HydrophobicContact CE2-CB 3.8Å; F216-F350 HydrophobicContact CE2-CD2 4.47Å; F216-V365 HydrophobicContact CB-CG1 4.27Å; F216-I366 PolarHBondContact N-O 3.29Å; F216-M368 PolarHBondContact O-N 3.05Å; F216-T372 HydrophobicContact CD1-CG2 4.31Å; F216-L381 HydrophobicContact CD1-CD1 3.71Å; F216-L381 HydrophobicContact CD1-CD2 3.98Å; F216-L381 HydrophobicContact CD1-CG 4.47Å; F216-L381 HydrophobicContact CD2-CD2 3.87Å; F216-L381 HydrophobicContact CE1-CD1 4.11Å; F216-L381 HydrophobicContact CE1-CD2 3.95Å; F216-L381 HydrophobicContact CE2-CD2 3.85Å; F216-L381 HydrophobicContact CG-CD1 4.12Å; F216-L381 HydrophobicContact CG-CD2 3.93Å; F216-L381 HydrophobicContact CZ-CD2 3.89Å
217D97.3Very high96.9Very high32 Ų3227.7 Ų27.717%0.17115%0.151CC..EExtended strand (participates in β ladder)trans-108.4124.4-176-173.27.3000111.1G219 T223 T224 M368 G369D217-G219 PolarHBondContact OD1-N 3.02Å; D217-T223 CarbonylContact O-C 3.53Å; D217-T223 WeakPolarHBondContact O-CA 3.26Å; D217-T224 PolarHBondContact N-O 2.98Å; D217-T224 PolarHBondContact O-N 3.32Å; D217-M368 HydrophobicContact CB-CB 3.76Å; D217-G369 WeakPolarHBondContact OD1-CA 3.41Å; D217-G369 PolarHBondContact OD1-N 3.19Å; D217-G369 VanDerWaalsContact OD1-N 3.14Å
218I97.3Very high97Very high0 Ų024 Ų240%013%0.131CC..EExtended strand (participates in β ladder)trans-116.497.8165.7-54-175.1000108F216 T223 F258 M368 G369 G370 G371 T372 I377F216-I218 HydrophobicContact CD1-CG1 4.15Å; F216-I218 HydrophobicContact CE1-CD1 3.91Å; F216-I218 HydrophobicContact CE1-CG1 3.75Å; I218-T223 HydrophobicContact CG1-CG2 3.92Å; I218-F258 HydrophobicContact CD1-CE1 4.3Å; I218-M368 PolarHBondContact N-O 3.01Å; I218-G369 CarbonylContact O-C 3.58Å; I218-G369 WeakPolarHBondContact O-CA 3.36Å; I218-G370 PolarHBondContact O-N 3.31Å; I218-G371 PolarHBondContact O-N 3.29Å; I218-T372 HydrophobicContact CB-CG2 4.18Å; I218-T372 HydrophobicContact CD1-CG2 4.29Å; I218-T372 HydrophobicContact CG1-CG2 3.91Å; I218-I377 HydrophobicContact CD1-CD1 3.6Å; I218-I377 HydrophobicContact CD1-CG2 3.56Å
219G95.3Very high97.2Very high19 Ų1917.4 Ų17.420%0.19610%0.101CC..  trans-79.4-161175.300000112.5D217 S222 G259 T260D217-G219 PolarHBondContact OD1-N 3.02Å; G219-S222 PolarHBondContact N-O 2.86Å; G219-G259 CarbonylContact O-C 3.49Å; G219-G259 VanDerWaalsContact O-CA 3.27Å; G219-G259 WeakPolarHBondContact O-CA 3.26Å; G219-T260 PolarHBondContact O-N 2.62Å
220S95.4Very high97.3Very high12 Ų1212.6 Ų12.68%0.0847%0.072CC..SBendtrans-78.5-36.9179.265.50000113.1T27 E28 G259 T260 Q261T27-S220 WeakPolarHBondContact CB-OG 3.43Å; E28-S220 WeakPolarHBondContact CB-OG 3.39Å; E28-S220 PolarHBondContact N-OG 3.46Å; E28-S220 WeakPolarHBondContact OE2-CB 3.14Å; S220-G259 CarbonylContact O-C 3.55Å; S220-G259 VanDerWaalsContact O-C 3.29Å; S220-G259 WeakPolarHBondContact O-CA 3.49Å; S220-T260 WeakPolarHBondContact CA-OG1 3.45Å; S220-T260 PolarHBondContact O-N 3.44Å; S220-T260 VanDerWaalsContact O-N 3.14Å; S220-Q261 VanDerWaalsContact O-CB 3.27Å; S220-Q261 WeakPolarHBondContact O-CB 3.27Å; S220-Q261 WeakPolarHBondContact O-CG 3.34Å; S220-Q261 PolarHBondContact O-N 2.86Å
221M93.9Very high97.3Very high13 Ų1310.5 Ų10.56%0.0646%0.059CC..SBendtrans-105.1-39.7-177.1-169.863.975.800113.4T27 M97 L100 R104 T257 F258 G259T27-M221 HydrophobicContact CG2-CB 4.12Å; T27-M221 HydrophobicContact CG2-CE 4.13Å; M97-M221 HydrophobicContact CE-CE 4.22Å; M97-M221 HydrophobicContact CE-CG 3.32Å; M97-M221 HydrophobicContact CE-SD 3.51Å; M97-M221 VanDerWaalsContact CE-SD 3.51Å; L100-M221 HydrophobicContact CD2-SD 4.11Å; R104-M221 PolarHBondContact NH1-SD 2.94Å; M221-T257 CarbonylContact O-C 3.46Å; M221-F258 CarbonylContact O-C 3.45Å; M221-F258 VanDerWaalsContact O-C 3.28Å; M221-F258 PolarHBondContact O-N 3.29Å; M221-F258 VanDerWaalsContact O-N 3.17Å; M221-G259 PolarHBondContact O-N 2.9Å
222S94.9Very high97.3Very high15 Ų1512.6 Ų12.611%0.1057%0.066CC..  trans-131160.7-16959.50000113.3G219 D255 F258G219-S222 PolarHBondContact N-O 2.86Å; S222-D255 CarbonylContact C-O 3.5Å; S222-D255 VanDerWaalsContact CA-O 3.22Å; S222-D255 WeakPolarHBondContact CA-O 3.31Å; S222-D255 WeakPolarHBondContact CB-O 3.31Å; S222-F258 CarbonylContact C-O 3.52Å; S222-F258 VanDerWaalsContact CA-O 3.27Å; S222-F258 WeakPolarHBondContact CA-O 3.26Å
223T97Very high97.2Very high0 Ų010.4 Ų10.40%06%0.058CC..EExtended strand (participates in β ladder)trans-117.3136.1171.6-67.50000108.8F216 D217 I218 H254 D255 F258 P349F216-T223 HydrophobicContact CE1-CG2 3.82Å; F216-T223 HydrophobicContact CZ-CG2 3.77Å; D217-T223 CarbonylContact O-C 3.53Å; D217-T223 WeakPolarHBondContact O-CA 3.26Å; I218-T223 HydrophobicContact CG1-CG2 3.92Å; T223-H254 CarbonylContact O-C 3.53Å; T223-H254 WeakPolarHBondContact O-CA 3.49Å; T223-H254 WeakPolarHBondContact O-CB 3.39Å; T223-D255 PolarHBondContact N-O 3.36Å; T223-D255 PolarHBondContact O-N 3.46Å; T223-F258 WeakPolarHBondContact CB-O 3.42Å; T223-F258 HydrophobicContact CG2-CD1 4.23Å; T223-F258 PolarHBondContact N-O 2.87Å; T223-F258 WeakPolarHBondContact OG1-CD1 3.49Å; T223-F258 PolarHBondContact OG1-O 3.07Å; T223-P349 HydrophobicContact CG2-CB 4.3Å; T223-P349 HydrophobicContact CG2-CG 3.94Å
224T97.1Very high97.1Very high2 Ų217.1 Ų17.11%0.0129%0.088CC..EExtended strand (participates in β ladder)trans-132.5128.2178.7-57.30000109.3S163 N191 D217 V252 S253S163-T224 WeakPolarHBondContact OG-CG2 3.42Å; N191-T224 HydrophobicContact CB-CG2 4.36Å; D217-T224 PolarHBondContact N-O 2.98Å; D217-T224 PolarHBondContact O-N 3.32Å; T224-V252 HydrophobicContact CG2-CG1 3.93Å; T224-S253 WeakPolarHBondContact CA-O 3.44Å
225A98Very high96.8Very high0 Ų018.8 Ų18.80%010%0.095CC..EExtended strand (participates in β ladder)trans-109.3131.7168.400000108.7F215 F216 V252 S253 P349 I353F215-A225 WeakPolarHBondContact O-CA 3.49Å; F216-A225 HydrophobicContact CD2-CB 3.7Å; F216-A225 HydrophobicContact CE2-CB 3.78Å; A225-V252 WeakPolarHBondContact O-CA 3.42Å; A225-S253 PolarHBondContact N-O 3.02Å; A225-S253 PolarHBondContact O-N 2.8Å; A225-P349 HydrophobicContact CB-CB 3.77Å; A225-P349 VanDerWaalsContact CB-O 3.27Å; A225-P349 WeakPolarHBondContact CB-O 3.48Å; A225-I353 HydrophobicContact CB-CD1 3.67Å; A225-I353 HydrophobicContact CB-CG1 4.19Å; A225-I353 HydrophobicContact CB-CG2 4.28Å; A225-I353 WeakPolarHBondContact O-CG2 3.33Å
226T98.3Very high96.5Very high1 Ų126 Ų261%0.00612%0.123CC..EExtended strand (participates in β ladder)trans-130.4119-175.4-58.50000110.2N191 V214 F215 I249 V252N191-T226 HydrophobicContact CB-CG2 4.4Å; N191-T226 WeakPolarHBondContact CB-OG1 3.21Å; N191-T226 PolarHBondContact ND2-OG1 3.05Å; V214-T226 CarbonylContact C-O 3.56Å; V214-T226 VanDerWaalsContact CA-O 3.27Å; V214-T226 WeakPolarHBondContact CA-O 3.29Å; F215-T226 PolarHBondContact N-O 3.42Å; F215-T226 PolarHBondContact O-N 3.12Å; T226-I249 HydrophobicContact CG2-CD1 3.98Å; T226-I249 HydrophobicContact CG2-CG2 3.84Å; T226-V252 HydrophobicContact CG2-CG2 4.28Å
227L98.6Very high96Very high2 Ų227.5 Ų27.51%0.0113%0.13CC..EExtended strand (participates in β ladder)trans-88.5116.7168.7-177.964.3000108.7V214 V250 N251 I353 F357V214-L227 HydrophobicContact CG2-CD1 3.99Å; L227-V250 HydrophobicContact CB-CB 4.33Å; L227-V250 HydrophobicContact CD2-CB 4.01Å; L227-V250 HydrophobicContact CD2-CG1 3.9Å; L227-V250 HydrophobicContact CG-CB 3.98Å; L227-V250 HydrophobicContact CG-CG1 4.41Å; L227-V250 HydrophobicContact CG-CG2 4.45Å; L227-V250 WeakPolarHBondContact O-CB 3.36Å; L227-V250 PolarHBondContact O-N 2.92Å; L227-N251 HydrophobicContact CB-CB 4.29Å; L227-N251 PolarHBondContact N-O 2.81Å; L227-N251 PolarHBondContact O-N 3.31Å; L227-I353 HydrophobicContact CB-CB 4.44Å; L227-I353 HydrophobicContact CB-CD1 4.22Å; L227-F357 HydrophobicContact CD1-CZ 4.39Å; L227-F357 HydrophobicContact CD2-CB 4.46Å; L227-F357 HydrophobicContact CD2-CD2 3.67Å; L227-F357 HydrophobicContact CD2-CE2 4.03Å; L227-F357 HydrophobicContact CD2-CG 3.97Å
228A98.4Very high95.4Very high0 Ų028.1 Ų28.10%014%0.144CC..EExtended strand (participates in β ladder)trans-119.5140.3-178.200000110.9A195 Y212 Y213 F215 Y230 L247 I249A195-A228 HydrophobicContact CB-CB 4.49Å; Y212-A228 CarbonylContact C-O 3.49Å; Y212-A228 VanDerWaalsContact CA-O 3.27Å; Y212-A228 WeakPolarHBondContact CA-O 3.25Å; Y213-A228 PolarHBondContact N-O 3.32Å; Y213-A228 PolarHBondContact O-N 3.26Å; F215-A228 HydrophobicContact CD2-CB 4.07Å; F215-A228 HydrophobicContact CE2-CB 3.83Å; A228-Y230 HydrophobicContact CB-CE2 4.29Å; A228-L247 HydrophobicContact CB-CD1 3.82Å; A228-I249 HydrophobicContact CB-CD1 4.14Å
229A98.4Very high94.9Very high6 Ų632.3 Ų32.35%0.0517%0.167CC..EExtended strand (participates in β ladder)trans-112132.917500000110.7P210 Q211 Y212 R248 V250P210-A229 HydrophobicContact CB-CB 4.34Å; Q211-A229 CarbonylContact O-C 2.88Å; Q211-A229 VanDerWaalsContact O-CA 3.32Å; Q211-A229 WeakPolarHBondContact O-CA 3.37Å; Y212-A229 HydrophobicContact CD1-CB 3.82Å; Y212-A229 HydrophobicContact CE1-CB 3.7Å; A229-R248 PolarHBondContact N-O 3.37Å; A229-R248 PolarHBondContact O-N 2.82Å; A229-V250 HydrophobicContact CB-CG2 3.68Å
230Y98.5Very high94.7Very high0 Ų034.5 Ų34.50%018%0.176CC..EExtended strand (participates in β ladder)trans-113.3136173-61.1-88.1000111.3A195 F198 F206 P210 Q211 Y213 F215 A228 M246 L247 F420A195-Y230 WeakPolarHBondContact CA-OH 3.45Å; A195-Y230 VanDerWaalsContact CB-OH 3.29Å; A195-Y230 WeakPolarHBondContact CB-OH 3.17Å; A195-Y230 PolarHBondContact O-OH 3.49Å; F198-Y230 HydrophobicContact CD1-CE1 4.4Å; F198-Y230 AromaticContact CD1-CE2 3.78Å; F198-Y230 HydrophobicContact CD1-CE2 3.78Å; F198-Y230 AromaticContact CD1-CZ 3.68Å; F198-Y230 HydrophobicContact CE1-CD2 4.49Å; F198-Y230 AromaticContact CE1-CE2 3.98Å; F198-Y230 HydrophobicContact CE1-CE2 3.98Å; F206-Y230 HydrophobicContact CD2-CD1 4.25Å; F206-Y230 HydrophobicContact CD2-CG 4.12Å; F206-Y230 HydrophobicContact CE1-CD2 4.37Å; F206-Y230 HydrophobicContact CE1-CG 4.13Å; F206-Y230 VanDerWaalsContact CE2-CB 3.48Å; F206-Y230 AromaticContact CE2-CD1 3.55Å; F206-Y230 HydrophobicContact CE2-CD1 3.55Å; F206-Y230 HydrophobicContact CE2-CD2 4.36Å; F206-Y230 HydrophobicContact CE2-CE1 4.4Å; F206-Y230 AromaticContact CE2-CG 3.53Å; F206-Y230 HydrophobicContact CE2-CG 3.53Å; F206-Y230 AromaticContact CZ-CD1 3.92Å; F206-Y230 HydrophobicContact CZ-CD1 3.92Å; F206-Y230 AromaticContact CZ-CD2 3.92Å; F206-Y230 HydrophobicContact CZ-CD2 3.92Å; F206-Y230 AromaticContact CZ-CG 3.54Å; F206-Y230 HydrophobicContact CZ-CG 3.54Å; P210-Y230 CarbonylContact C-O 3.53Å; P210-Y230 WeakPolarHBondContact CA-O 3.21Å; Q211-Y230 PolarHBondContact N-O 2.89Å; Q211-Y230 PolarHBondContact O-N 3.23Å; Y213-Y230 AromaticContact CD2-CD2 3.52Å; Y213-Y230 HydrophobicContact CD2-CD2 3.52Å; Y213-Y230 AromaticContact CD2-CE2 3.77Å; Y213-Y230 HydrophobicContact CD2-CE2 3.77Å; Y213-Y230 AromaticContact CE2-CD2 3.88Å; Y213-Y230 HydrophobicContact CE2-CD2 3.88Å; Y213-Y230 HydrophobicContact CE2-CE2 4.42Å; Y213-Y230 HydrophobicContact CG-CD2 4.43Å; Y213-Y230 HydrophobicContact CG-CE2 4.25Å; F215-Y230 HydrophobicContact CE2-CE2 4.18Å; F215-Y230 WeakPolarHBondContact CE2-OH 3.06Å; F215-Y230 HydrophobicContact CZ-CE2 4.33Å; F215-Y230 VanDerWaalsContact CZ-OH 3.22Å; F215-Y230 WeakPolarHBondContact CZ-OH 3.44Å; A228-Y230 HydrophobicContact CB-CE2 4.29Å; Y230-M246 WeakPolarHBondContact CA-O 3.49Å; Y230-L247 HydrophobicContact CD1-CB 4.32Å; Y230-L247 HydrophobicContact CD1-CD1 4.31Å; Y230-L247 HydrophobicContact CE1-CB 4.12Å; Y230-L247 HydrophobicContact CE1-CD1 3.72Å; Y230-L247 HydrophobicContact CE1-CG 4.35Å; Y230-L247 HydrophobicContact CE2-CD1 4.45Å; Y230-F420 HydrophobicContact CD1-CZ 4.18Å; Y230-F420 HydrophobicContact CE1-CZ 4.34Å
231S97.7Very high94.6Very high12 Ų1238.8 Ų38.88%0.08420%0.202CC..EExtended strand (participates in β ladder)trans-138.7157.4168.758.40000110.1N207 H235 P245 M246N207-S231 CarbonylContact O-C 3.28Å; N207-S231 VanDerWaalsContact O-CA 3.3Å; N207-S231 WeakPolarHBondContact O-CA 3.11Å; S231-H235 PolarHBondContact OG-NE2 3.28Å; S231-H235 VanDerWaalsContact OG-NE2 3.16Å; S231-P245 WeakPolarHBondContact O-CA 3.31Å; S231-M246 PolarHBondContact N-O 2.86Å; S231-M246 VanDerWaalsContact N-O 3.08Å; S231-M246 PolarHBondContact O-N 3.29Å
232Y97.4Very high94.6Very high79 Ų7939 Ų3931%0.3121%0.208SC..EExtended strand (participates in β ladder)trans-132.4122.1170.8-175.8-81000109F203 N207 E208 D243 P245F203-Y232 AromaticContact CD2-CD2 3.9Å; F203-Y232 HydrophobicContact CD2-CD2 3.9Å; F203-Y232 AromaticContact CD2-CE2 3.69Å; F203-Y232 HydrophobicContact CD2-CE2 3.69Å; F203-Y232 HydrophobicContact CE2-CE2 4.08Å; N207-Y232 CarbonylContact C-O 3.53Å; N207-Y232 PolarHBondContact O-N 3.44Å; E208-Y232 PolarHBondContact N-O 3.46Å; Y232-D243 HydrophobicContact CE1-CB 4.21Å; Y232-P245 HydrophobicContact CD2-CB 3.99Å; Y232-P245 HydrophobicContact CD2-CG 4.41Å
233G95.3Very high94.6Very high4 Ų442.4 Ų42.44%0.04122%0.224CC..EExtended strand (participates in β ladder)trans169.2-163.5179.300000112.5H235 D243 F244G233-H235 PolarHBondContact O-CD2 2.95Å; G233-H235 PolarHBondContact O-N 3.06Å; G233-H235 VanDerWaalsContact O-N 3.08Å; G233-D243 WeakPolarHBondContact O-CA 3.45Å; G233-F244 PolarHBondContact N-O 3.09Å; G233-F244 PolarHBondContact O-N 3.17Å
234K95.6Very high94.6Very high159 Ų15943.9 Ų43.969%0.69123%0.231SC*.EExtended strand (participates in β ladder)trans-68.2107-178.8-69-173.9-179.8178.70111.2G242 D243K234-G242 WeakPolarHBondContact CA-O 3.41Å; K234-D243 WeakPolarHBondContact CG-OD1 3.42Å; K234-D243 PolarHBondContact N-OD1 2.86Å
235H93.3Very high94.6Very high35 Ų3543.8 Ų43.816%0.16223%0.23CC..EExtended strand (participates in β ladder)trans-126.5151.6177.4-60.1-49000110.8S231 G233 V241 G242 F244 M246 I421S231-H235 PolarHBondContact OG-NE2 3.28Å; S231-H235 VanDerWaalsContact OG-NE2 3.16Å; G233-H235 PolarHBondContact O-CD2 2.95Å; G233-H235 PolarHBondContact O-N 3.06Å; G233-H235 VanDerWaalsContact O-N 3.08Å; H235-V241 WeakPolarHBondContact O-CA 3.3Å; H235-G242 PolarHBondContact N-O 3Å; H235-G242 PolarHBondContact O-N 3.07Å; H235-G242 VanDerWaalsContact O-N 3.11Å; H235-F244 PolarHBondContact CD2-O 3.49Å; H235-M246 HydrophobicContact CB-CE 3.82Å; H235-M246 VanDerWaalsContact CG-CE 3.48Å; H235-I421 HydrophobicContact CB-CD1 3.44Å; H235-I421 VanDerWaalsContact CB-CD1 3.44Å
236R91Very high94.6Very high156 Ų15645.5 Ų45.559%0.58924%0.239SC*.EExtended strand (participates in β ladder)trans-99.3130.9171.9-177.9175.8179.2179.42.5109.1G238 D239 V240 V241R236-G238 VanDerWaalsContact CG-O 3.31Å; R236-G238 WeakPolarHBondContact CG-O 3.31Å; R236-G238 PolarHBondContact NE-O 3.04Å; R236-D239 IonicContact NH2-OD1 3.42Å; R236-D239 PolarHBondContact NH2-OD1 2.86Å; R236-V240 WeakPolarHBondContact CA-O 3.35Å; R236-V241 HydrophobicContact CB-CG2 4.06Å; R236-V241 HydrophobicContact CG-CG2 3.96Å
237D87.4Confident94.6Very high30 Ų3045.4 Ų45.416%0.1624%0.238CC..EExtended strand (participates in β ladder)trans-134.4106.9172.6-170.133.4000109.3D239 V240 R419 I421D237-D239 PolarHBondContact O-N 3.36Å; D237-V240 PolarHBondContact N-O 3.34Å; D237-V240 PolarHBondContact O-N 3.41Å; D237-V240 VanDerWaalsContact O-N 3.12Å; D237-R419 IonicContact OD2-CZ 3.58Å; D237-R419 IonicContact OD2-NH1 3.51Å; D237-R419 PolarHBondContact OD2-NH1 2.63Å; D237-I421 HydrophobicContact CB-CD1 3.79Å; D237-I421 HydrophobicContact CB-CG1 3.89Å
238G85Confident94.5Very high45 Ų4549.8 Ų49.846%0.46426%0.255SS..THydrogen-bonded Turntrans59.4-125.2-165.200000111.1R236R236-G238 VanDerWaalsContact CG-O 3.31Å; R236-G238 WeakPolarHBondContact CG-O 3.31Å; R236-G238 PolarHBondContact NE-O 3.04Å
239D86.4Confident94.5Very high89 Ų8949.8 Ų49.848%0.47626%0.255SS..THydrogen-bonded Turntrans-96.53.2178.3-57.4-46.8000113.2R236 D237 T605R236-D239 IonicContact NH2-OD1 3.42Å; R236-D239 PolarHBondContact NH2-OD1 2.86Å; D237-D239 PolarHBondContact O-N 3.36Å; D239-T605 WeakPolarHBondContact OD2-CG2 3.4Å
240V90.8Very high94.5Very high65 Ų6551 Ų5139%0.39426%0.262SS..EExtended strand (participates in β ladder)trans-94.7127.7176.5-171.60000109.4R236 D237 F244R236-V240 WeakPolarHBondContact CA-O 3.35Å; D237-V240 PolarHBondContact N-O 3.34Å; D237-V240 PolarHBondContact O-N 3.41Å; D237-V240 VanDerWaalsContact O-N 3.12Å; V240-F244 HydrophobicContact CG1-CE2 4.06Å; V240-F244 HydrophobicContact CG1-CZ 3.71Å
241V93.4Very high94.4Very high102 Ų10252.6 Ų52.662%0.61827%0.27SS*.EExtended strand (participates in β ladder)trans-115.9130.6170.3-178.10000108.1H235 R236H235-V241 WeakPolarHBondContact O-CA 3.3Å; R236-V241 HydrophobicContact CB-CG2 4.06Å; R236-V241 HydrophobicContact CG-CG2 3.96Å
242G94.5Very high94.4Very high18 Ų1852.1 Ų52.119%0.18627%0.267CS..EExtended strand (participates in β ladder)trans-171.8176-178.900000112.5K234 H235 F244K234-G242 WeakPolarHBondContact CA-O 3.41Å; H235-G242 PolarHBondContact N-O 3Å; H235-G242 PolarHBondContact O-N 3.07Å; H235-G242 VanDerWaalsContact O-N 3.11Å; G242-F244 VanDerWaalsContact N-CE2 3.26Å; G242-F244 WeakPolarHBondContact O-CD2 3.42Å; G242-F244 PolarHBondContact O-N 3.09Å
243D95.3Very high94.3Very high86 Ų8648.8 Ų48.846%0.4626%0.255SS..EExtended strand (participates in β ladder)trans-78.5102.6173.8-64.2-47.8000108.9Y232 G233 K234Y232-D243 HydrophobicContact CE1-CB 4.21Å; G233-D243 WeakPolarHBondContact O-CA 3.45Å; K234-D243 WeakPolarHBondContact CG-OD1 3.42Å; K234-D243 PolarHBondContact N-OD1 2.86Å
244F96Very high94.2Very high30 Ų3050 Ų5013%0.13226%0.259CS..EExtended strand (participates in β ladder)trans-125.5147.5-175.7-56.3-50.3000110.4G233 H235 V240 G242 R419 I421G233-F244 PolarHBondContact N-O 3.09Å; G233-F244 PolarHBondContact O-N 3.17Å; H235-F244 PolarHBondContact CD2-O 3.49Å; V240-F244 HydrophobicContact CG1-CE2 4.06Å; V240-F244 HydrophobicContact CG1-CZ 3.71Å; G242-F244 VanDerWaalsContact N-CE2 3.26Å; G242-F244 WeakPolarHBondContact O-CD2 3.42Å; G242-F244 PolarHBondContact O-N 3.09Å; F244-R419 HydrophobicContact CD1-CB 3.95Å; F244-R419 HydrophobicContact CD1-CG 4.27Å; F244-R419 HydrophobicContact CE1-CB 4.04Å; F244-R419 HydrophobicContact CE1-CG 4.41Å; F244-R419 HydrophobicContact CG-CG 4.48Å; F244-I421 HydrophobicContact CB-CD1 4.02Å; F244-I421 HydrophobicContact CB-CG1 4.23Å; F244-I421 HydrophobicContact CD2-CD1 4.04Å; F244-I421 HydrophobicContact CG-CD1 4.44Å
245P97.6Very high94.1Very high1 Ų143.3 Ų43.31%0.00623%0.231CC..EExtended strand (participates in β ladder)trans-69141.515926.6-29.4000111.2F203 S231 Y232 T418 R419 F420 I421F203-P245 HydrophobicContact CB-CB 3.76Å; F203-P245 HydrophobicContact CB-CG 4.15Å; F203-P245 HydrophobicContact CD2-CG 4.25Å; F203-P245 HydrophobicContact CG-CB 4.38Å; F203-P245 HydrophobicContact CG-CG 4.27Å; S231-P245 WeakPolarHBondContact O-CA 3.31Å; Y232-P245 HydrophobicContact CD2-CB 3.99Å; Y232-P245 HydrophobicContact CD2-CG 4.41Å; P245-T418 HydrophobicContact CG-CG2 4.41Å; P245-R419 WeakPolarHBondContact CD-O 3.49Å; P245-F420 HydrophobicContact CB-CD1 4.25Å; P245-F420 HydrophobicContact CB-CD2 3.7Å; P245-F420 HydrophobicContact CB-CE1 4.11Å; P245-F420 HydrophobicContact CB-CE2 3.59Å; P245-F420 HydrophobicContact CB-CG 4.04Å; P245-F420 HydrophobicContact CB-CZ 3.8Å; P245-F420 HydrophobicContact CG-CB 4.1Å; P245-F420 HydrophobicContact CG-CD1 4.35Å; P245-F420 HydrophobicContact CG-CD2 3.4Å; P245-F420 HydrophobicContact CG-CE2 3.82Å; P245-F420 HydrophobicContact CG-CG 3.71Å; P245-F420 HydrophobicContact CG-CZ 4.43Å; P245-I421 PolarHBondContact O-N 2.65Å
246M97.4Very high94Very high35 Ų3542.1 Ų42.117%0.17223%0.226CC..EExtended strand (participates in β ladder)trans-125132174.1-178.3-178-65.900110.2Y230 S231 H235 I421Y230-M246 WeakPolarHBondContact CA-O 3.49Å; S231-M246 PolarHBondContact N-O 2.86Å; S231-M246 VanDerWaalsContact N-O 3.08Å; S231-M246 PolarHBondContact O-N 3.29Å; H235-M246 HydrophobicContact CB-CE 3.82Å; H235-M246 VanDerWaalsContact CG-CE 3.48Å; M246-I421 CarbonylContact C-O 3.57Å; M246-I421 WeakPolarHBondContact CA-O 3.29Å; M246-I421 HydrophobicContact CB-CB 4.31Å; M246-I421 HydrophobicContact CE-CD1 4.1Å; M246-I421 HydrophobicContact CE-CG2 4.21Å; M246-I421 HydrophobicContact CG-CB 4.24Å; M246-I421 HydrophobicContact CG-CG2 4.27Å
247L98.2Very high94.1Very high0 Ų036.1 Ų36.10%021%0.207CC..EExtended strand (participates in β ladder)trans-107.8121.6165.116362.1000107.2A195 L196 A228 Y230 I249 F420 I421 V422 K423A195-L247 HydrophobicContact CB-CD1 3.98Å; A195-L247 HydrophobicContact CB-CD2 3.72Å; L196-L247 HydrophobicContact CB-CD2 4.08Å; A228-L247 HydrophobicContact CB-CD1 3.82Å; Y230-L247 HydrophobicContact CD1-CB 4.32Å; Y230-L247 HydrophobicContact CD1-CD1 4.31Å; Y230-L247 HydrophobicContact CE1-CB 4.12Å; Y230-L247 HydrophobicContact CE1-CD1 3.72Å; Y230-L247 HydrophobicContact CE1-CG 4.35Å; Y230-L247 HydrophobicContact CE2-CD1 4.45Å; L247-I249 HydrophobicContact CD1-CD1 3.91Å; L247-I249 HydrophobicContact CD2-CD1 4.48Å; L247-I249 HydrophobicContact CG-CD1 4.28Å; L247-F420 HydrophobicContact CB-CD1 4.36Å; L247-F420 HydrophobicContact CB-CE1 3.57Å; L247-F420 HydrophobicContact CB-CZ 4.44Å; L247-I421 PolarHBondContact N-O 2.76Å; L247-V422 HydrophobicContact CD2-CG1 4.28Å; L247-K423 PolarHBondContact O-N 2.84Å
248R98Very high94.5Very high93 Ų9334.7 Ų34.735%0.35120%0.2SC..EExtended strand (participates in β ladder)trans-117.4121.7169.9-175.1177.874.497.5-4.4109.7A229 V250 K423A229-R248 PolarHBondContact N-O 3.37Å; A229-R248 PolarHBondContact O-N 2.82Å; R248-V250 PolarHBondContact O-N 3.46Å; R248-K423 WeakPolarHBondContact CA-O 3.14Å; R248-K423 HydrophobicContact CB-CB 4.49Å; R248-K423 HydrophobicContact CG-CB 4.28Å
249I98.3Very high95Very high1 Ų132.6 Ų32.61%0.00518%0.178CC..EExtended strand (participates in β ladder)trans-75.2119.8167.8-51.8-56.4000107.9A195 T226 A228 L247 V252 K423 Y425A195-I249 HydrophobicContact CB-CD1 4.36Å; T226-I249 HydrophobicContact CG2-CD1 3.98Å; T226-I249 HydrophobicContact CG2-CG2 3.84Å; A228-I249 HydrophobicContact CB-CD1 4.14Å; L247-I249 HydrophobicContact CD1-CD1 3.91Å; L247-I249 HydrophobicContact CD2-CD1 4.48Å; L247-I249 HydrophobicContact CG-CD1 4.28Å; I249-V252 HydrophobicContact CG2-CG2 3.46Å; I249-V252 VanDerWaalsContact CG2-CG2 3.46Å; I249-K423 PolarHBondContact N-O 3.34Å; I249-Y425 HydrophobicContact CG2-CG 4.46Å
250V97.7Very high95.5Very high32 Ų3229 Ų2919%0.19416%0.159CC..EExtended strand (participates in β ladder)trans-92.2-45.1-172.2-1760000110.8Y212 L227 A229 R248 Y425Y212-V250 HydrophobicContact CD1-CG2 4.22Å; Y212-V250 HydrophobicContact CE1-CG2 4.05Å; L227-V250 HydrophobicContact CB-CB 4.33Å; L227-V250 HydrophobicContact CD2-CB 4.01Å; L227-V250 HydrophobicContact CD2-CG1 3.9Å; L227-V250 HydrophobicContact CG-CB 3.98Å; L227-V250 HydrophobicContact CG-CG1 4.41Å; L227-V250 HydrophobicContact CG-CG2 4.45Å; L227-V250 WeakPolarHBondContact O-CB 3.36Å; L227-V250 PolarHBondContact O-N 2.92Å; A229-V250 HydrophobicContact CB-CG2 3.68Å; R248-V250 PolarHBondContact O-N 3.46Å; V250-Y425 VanDerWaalsContact O-CD2 3.3Å; V250-Y425 WeakPolarHBondContact O-CD2 3.27Å; V250-Y425 WeakPolarHBondContact O-CE2 3.28Å
251N97.2Very high95.8Very high32 Ų3226.5 Ų26.517%0.17114%0.144CC..EExtended strand (participates in β ladder)trans-155.6149.6-179.7-157.9-2.4000110.7L227 I353 Y425L227-N251 HydrophobicContact CB-CB 4.29Å; L227-N251 PolarHBondContact N-O 2.81Å; L227-N251 PolarHBondContact O-N 3.31Å; N251-I353 HydrophobicContact CB-CB 4.27Å; N251-I353 HydrophobicContact CB-CG2 4.43Å; N251-I353 PolarHBondContact ND2-O 3.3Å; N251-Y425 PolarHBondContact OD1-OH 3.24Å
252V96.4Very high95.9Very high3 Ų322.7 Ų22.72%0.01812%0.12CC..EExtended strand (participates in β ladder)trans-139.9132.1179.9-174.70000109.6T224 A225 T226 I249 Y425 R467T224-V252 HydrophobicContact CG2-CG1 3.93Å; A225-V252 WeakPolarHBondContact O-CA 3.42Å; T226-V252 HydrophobicContact CG2-CG2 4.28Å; I249-V252 HydrophobicContact CG2-CG2 3.46Å; I249-V252 VanDerWaalsContact CG2-CG2 3.46Å; V252-Y425 HydrophobicContact CB-CD1 4.19Å; V252-Y425 HydrophobicContact CG2-CD1 4.07Å; V252-Y425 HydrophobicContact CG2-CG 4.18Å; V252-R467 PolarHBondContact O-NH2 2.86Å
253S95.2Very high96.1Very high9 Ų921.9 Ų21.96%0.06311%0.112CC..EExtended strand (participates in β ladder)trans-130152.6166.9-173.50000109.9T224 A225 D352T224-S253 WeakPolarHBondContact CA-O 3.44Å; A225-S253 PolarHBondContact N-O 3.02Å; A225-S253 PolarHBondContact O-N 2.8Å; S253-D352 VanDerWaalsContact CB-CB 3.42Å; S253-D352 WeakPolarHBondContact OG-CB 3.42Å; S253-D352 PolarHBondContact OG-OD2 3.34Å
254H94.1Very high96.2Very high28 Ų2818.4 Ų18.413%0.139%0.093CC..EExtended strand (participates in β ladder)trans-148.8157.9-174.964.7-77.5000111.7H164 T223 L427H164-H254 VanDerWaalsContact CB-CD2 3.45Å; H164-H254 WeakPolarHBondContact CB-CD2 3.48Å; H164-H254 AromaticContact CG-CD2 3.84Å; T223-H254 CarbonylContact O-C 3.53Å; T223-H254 WeakPolarHBondContact O-CA 3.49Å; T223-H254 WeakPolarHBondContact O-CB 3.39Å; H254-L427 WeakPolarHBondContact CE1-CD2 3.5Å
255D93.4Very high96.3Very high19 Ų1918.5 Ų18.510%0.1029%0.093CC..EExtended strand (participates in β ladder)trans-126.1107163-177.6-24.1000107.6S222 T223 T257 F258 R345S222-D255 CarbonylContact C-O 3.5Å; S222-D255 VanDerWaalsContact CA-O 3.22Å; S222-D255 WeakPolarHBondContact CA-O 3.31Å; S222-D255 WeakPolarHBondContact CB-O 3.31Å; T223-D255 PolarHBondContact N-O 3.36Å; T223-D255 PolarHBondContact O-N 3.46Å; D255-T257 PolarHBondContact O-N 3.36Å; D255-T257 PolarHBondContact OD1-N 2.97Å; D255-T257 PolarHBondContact OD1-OG1 3.29Å; D255-F258 HydrophobicContact CB-CB 3.79Å; D255-F258 PolarHBondContact O-N 3.3Å; D255-F258 PolarHBondContact OD1-N 2.84Å; D255-F258 WeakPolarHBondContact OD2-CB 3.46Å; D255-R345 IonicContact OD1-NH2 3.98Å; D255-R345 PolarHBondContact OD1-NH2 3.28Å; D255-R345 IonicContact OD2-CZ 2.76Å; D255-R345 VanDerWaalsContact OD2-CZ 3.3Å; D255-R345 IonicContact OD2-NE 2.76Å; D255-R345 PolarHBondContact OD2-NE 3.35Å; D255-R345 IonicContact OD2-NH2 3.79Å; D255-R345 PolarHBondContact OD2-NH2 2.79Å
256P91.2Very high96.3Very high10 Ų1022.6 Ų22.67%0.06511%0.108CC..THydrogen-bonded Turntrans-72.7-8.3-172.930.2-32.3000113F502P256-F502 HydrophobicContact CB-CD1 4.44Å; P256-F502 HydrophobicContact CG-CD1 3.84Å; P256-F502 HydrophobicContact CG-CD2 3.87Å; P256-F502 HydrophobicContact CG-CE1 3.86Å; P256-F502 HydrophobicContact CG-CE2 3.88Å; P256-F502 HydrophobicContact CG-CG 3.85Å; P256-F502 HydrophobicContact CG-CZ 3.89Å
257T92.3Very high96.3Very high31 Ų3120.9 Ų20.919%0.1910%0.1CC..THydrogen-bonded Turntrans-116.47.5-17763.20000113.2M97 L100 M221 D255 R345 F502M97-T257 HydrophobicContact SD-CG2 3.87Å; L100-T257 HydrophobicContact CD2-CG2 4.38Å; M221-T257 CarbonylContact O-C 3.46Å; D255-T257 PolarHBondContact O-N 3.36Å; D255-T257 PolarHBondContact OD1-N 2.97Å; D255-T257 PolarHBondContact OD1-OG1 3.29Å; T257-R345 PolarHBondContact O-NH2 3.15Å; T257-R345 PolarHBondContact OG1-NH2 2.94Å; T257-F502 HydrophobicContact CG2-CE1 3.65Å; T257-F502 HydrophobicContact CG2-CZ 3.51Å
258F95.4Very high96.3Very high0 Ų022.6 Ų22.60%011%0.106CC..  trans-115.598.7179.3-177.2-126.7000111.2I218 M221 S222 T223 D255 V262 F263 L342 R345 V346I218-F258 HydrophobicContact CD1-CE1 4.3Å; M221-F258 CarbonylContact O-C 3.45Å; M221-F258 VanDerWaalsContact O-C 3.28Å; M221-F258 PolarHBondContact O-N 3.29Å; M221-F258 VanDerWaalsContact O-N 3.17Å; S222-F258 CarbonylContact C-O 3.52Å; S222-F258 VanDerWaalsContact CA-O 3.27Å; S222-F258 WeakPolarHBondContact CA-O 3.26Å; T223-F258 WeakPolarHBondContact CB-O 3.42Å; T223-F258 HydrophobicContact CG2-CD1 4.23Å; T223-F258 PolarHBondContact N-O 2.87Å; T223-F258 WeakPolarHBondContact OG1-CD1 3.49Å; T223-F258 PolarHBondContact OG1-O 3.07Å; D255-F258 HydrophobicContact CB-CB 3.79Å; D255-F258 PolarHBondContact O-N 3.3Å; D255-F258 PolarHBondContact OD1-N 2.84Å; D255-F258 WeakPolarHBondContact OD2-CB 3.46Å; F258-V262 HydrophobicContact CD2-CG1 3.94Å; F258-V262 HydrophobicContact CE2-CG1 4.38Å; F258-F263 HydrophobicContact CD2-CE2 4.49Å; F258-F263 AromaticContact CE2-CE2 3.58Å; F258-F263 HydrophobicContact CE2-CE2 3.58Å; F258-F263 AromaticContact CE2-CZ 3.78Å; F258-F263 HydrophobicContact CE2-CZ 3.78Å; F258-F263 HydrophobicContact CZ-CE2 4.02Å; F258-F263 HydrophobicContact CZ-CZ 4.08Å; F258-L342 HydrophobicContact CE2-CB 4.1Å; F258-L342 VanDerWaalsContact CE2-O 3.27Å; F258-L342 WeakPolarHBondContact CE2-O 3.38Å; F258-L342 VanDerWaalsContact CZ-O 3.31Å; F258-L342 WeakPolarHBondContact CZ-O 3.16Å; F258-R345 HydrophobicContact CD1-CB 4.23Å; F258-R345 HydrophobicContact CD2-CB 4.21Å; F258-R345 HydrophobicContact CE1-CB 4.36Å; F258-R345 HydrophobicContact CE2-CB 4.32Å; F258-R345 HydrophobicContact CG-CB 4.19Å; F258-R345 HydrophobicContact CZ-CB 4.41Å; F258-V346 HydrophobicContact CE1-CB 4.41Å; F258-V346 HydrophobicContact CE1-CG2 3.72Å; F258-V346 HydrophobicContact CZ-CG2 3.56Å
259G96.4Very high96.3Very high1 Ų120.8 Ų20.81%0.0110%0.103CC..SBendtrans-148.8-171.1172.600000111.2G219 S220 M221 Q261 V262G219-G259 CarbonylContact O-C 3.49Å; G219-G259 VanDerWaalsContact O-CA 3.27Å; G219-G259 WeakPolarHBondContact O-CA 3.26Å; S220-G259 CarbonylContact O-C 3.55Å; S220-G259 VanDerWaalsContact O-C 3.29Å; S220-G259 WeakPolarHBondContact O-CA 3.49Å; M221-G259 PolarHBondContact O-N 2.9Å; G259-Q261 PolarHBondContact O-N 2.98Å; G259-Q261 VanDerWaalsContact O-N 3.14Å; G259-V262 WeakPolarHBondContact O-CG1 3.44Å; G259-V262 PolarHBondContact O-N 3.16Å
260T97.4Very high96.3Very high13 Ų1322.4 Ų22.48%0.0811%0.111CC..Hα-helixtrans-58.6-29.2-179.162.10000113.3G219 S220 V262 F263 I264 L304 G371G219-T260 PolarHBondContact O-N 2.62Å; S220-T260 WeakPolarHBondContact CA-OG1 3.45Å; S220-T260 PolarHBondContact O-N 3.44Å; S220-T260 VanDerWaalsContact O-N 3.14Å; T260-V262 VanDerWaalsContact C-N 3.29Å; T260-V262 PolarHBondContact O-N 3Å; T260-F263 WeakPolarHBondContact O-CB 3.27Å; T260-F263 PolarHBondContact O-N 3.15Å; T260-F263 VanDerWaalsContact O-N 3.1Å; T260-I264 WeakPolarHBondContact O-CG1 3.4Å; T260-I264 PolarHBondContact O-N 3.37Å; T260-L304 HydrophobicContact CG2-CD2 4.49Å; T260-G371 VanDerWaalsContact CG2-CA 3.47Å
261Q96.4Very high96.3Very high13 Ų1320.9 Ų20.96%0.06110%0.102CC..Hα-helixtrans-60-36.9179.5-74-169.6400112.5S84 S220 G259 F263 I264 Y265S84-Q261 PolarHBondContact OG-NE2 2.92Å; S220-Q261 VanDerWaalsContact O-CB 3.27Å; S220-Q261 WeakPolarHBondContact O-CB 3.27Å; S220-Q261 WeakPolarHBondContact O-CG 3.34Å; S220-Q261 PolarHBondContact O-N 2.86Å; G259-Q261 PolarHBondContact O-N 2.98Å; G259-Q261 VanDerWaalsContact O-N 3.14Å; Q261-F263 VanDerWaalsContact C-N 3.27Å; Q261-F263 PolarHBondContact O-N 3.45Å; Q261-I264 PolarHBondContact O-N 2.6Å; Q261-Y265 VanDerWaalsContact O-CD2 3.25Å; Q261-Y265 WeakPolarHBondContact O-CD2 3.36Å; Q261-Y265 PolarHBondContact O-N 3.36Å
262V96.7Very high96.3Very high22 Ų2219.4 Ų19.413%0.1339%0.093CC..Hα-helixtrans-65.2-35.2178.867.10000111.4F258 G259 T260 R266 L342F258-V262 HydrophobicContact CD2-CG1 3.94Å; F258-V262 HydrophobicContact CE2-CG1 4.38Å; G259-V262 WeakPolarHBondContact O-CG1 3.44Å; G259-V262 PolarHBondContact O-N 3.16Å; T260-V262 VanDerWaalsContact C-N 3.29Å; T260-V262 PolarHBondContact O-N 3Å; V262-R266 VanDerWaalsContact O-CG 3.31Å; V262-R266 WeakPolarHBondContact O-CG 3.47Å; V262-R266 PolarHBondContact O-N 3.46Å; V262-L342 HydrophobicContact CB-CD1 4.37Å; V262-L342 HydrophobicContact CG1-CD1 3.85Å; V262-L342 HydrophobicContact CG1-CD2 4.08Å; V262-L342 HydrophobicContact CG2-CD1 3.92Å; V262-L342 HydrophobicContact CG2-CD2 3.72Å
263F98.1Very high96.4Very high0 Ų023.6 Ų23.60%011%0.113CC..Hα-helixtrans-68.1-44.5172.3-64.3-89.4000111.8F258 T260 Q261 Y265 R266 I267 L304 C339 L342 F343 I374 I377F258-F263 HydrophobicContact CD2-CE2 4.49Å; F258-F263 AromaticContact CE2-CE2 3.58Å; F258-F263 HydrophobicContact CE2-CE2 3.58Å; F258-F263 AromaticContact CE2-CZ 3.78Å; F258-F263 HydrophobicContact CE2-CZ 3.78Å; F258-F263 HydrophobicContact CZ-CE2 4.02Å; F258-F263 HydrophobicContact CZ-CZ 4.08Å; T260-F263 WeakPolarHBondContact O-CB 3.27Å; T260-F263 PolarHBondContact O-N 3.15Å; T260-F263 VanDerWaalsContact O-N 3.1Å; Q261-F263 VanDerWaalsContact C-N 3.27Å; Q261-F263 PolarHBondContact O-N 3.45Å; F263-Y265 VanDerWaalsContact C-N 3.31Å; F263-Y265 PolarHBondContact O-N 3.36Å; F263-R266 PolarHBondContact O-N 2.81Å; F263-I267 VanDerWaalsContact O-CG1 3.32Å; F263-I267 WeakPolarHBondContact O-CG1 3.36Å; F263-I267 PolarHBondContact O-N 2.9Å; F263-L304 HydrophobicContact CB-CD1 4.06Å; F263-L304 HydrophobicContact CB-CD2 3.98Å; F263-C339 HydrophobicContact CD1-CB 3.94Å; F263-C339 HydrophobicContact CE1-CB 3.96Å; F263-L342 HydrophobicContact CD1-CD1 3.84Å; F263-L342 HydrophobicContact CD2-CD1 4.42Å; F263-L342 HydrophobicContact CE1-CB 3.8Å; F263-L342 HydrophobicContact CE1-CD1 3.93Å; F263-L342 HydrophobicContact CE2-CB 4.49Å; F263-L342 HydrophobicContact CG-CD1 4.1Å; F263-L342 HydrophobicContact CZ-CB 3.77Å; F263-L342 HydrophobicContact CZ-CD1 4.27Å; F263-F343 HydrophobicContact CE1-CD1 4.43Å; F263-F343 AromaticContact CE1-CE1 3.85Å; F263-F343 HydrophobicContact CE1-CE1 3.85Å; F263-F343 HydrophobicContact CE1-CE2 4.32Å; F263-F343 AromaticContact CE1-CZ 3.79Å; F263-F343 HydrophobicContact CE1-CZ 3.79Å; F263-F343 HydrophobicContact CZ-CE1 4.24Å; F263-I374 HydrophobicContact CD2-CD1 4.37Å; F263-I374 HydrophobicContact CE2-CD1 4.37Å; F263-I374 HydrophobicContact CG-CD1 4.46Å; F263-I374 HydrophobicContact CZ-CD1 4.48Å; F263-I377 HydrophobicContact CE2-CD1 4.49Å; F263-I377 HydrophobicContact CZ-CD1 4.24Å
264I97.8Very high96.5Very high13 Ų1325.1 Ų25.17%0.06712%0.118CC..Hα-helixtrans-57.3-45.5178.7-67.6170.3000110.6T260 Q261 I267 R268 A300 L304T260-I264 WeakPolarHBondContact O-CG1 3.4Å; T260-I264 PolarHBondContact O-N 3.37Å; Q261-I264 PolarHBondContact O-N 2.6Å; I264-I267 PolarHBondContact O-N 3.47Å; I264-R268 WeakPolarHBondContact O-CB 3.33Å; I264-R268 PolarHBondContact O-N 3.43Å; I264-A300 HydrophobicContact CG2-CB 3.94Å; I264-A300 VanDerWaalsContact O-CB 3.3Å; I264-A300 WeakPolarHBondContact O-CB 3.48Å; I264-L304 HydrophobicContact CD1-CD2 4.4Å; I264-L304 HydrophobicContact CG1-CD2 3.74Å
265Y97.1Very high96.7Very high32 Ų3223.8 Ų23.813%0.12511%0.112CC..Hα-helixtrans-70.2-33.4-179.7-82.3-105.5000112.4R104 Q261 F263 R268 D269R104-Y265 HydrophobicContact CB-CE1 3.84Å; R104-Y265 HydrophobicContact CB-CE2 4.47Å; R104-Y265 VanDerWaalsContact CB-OH 3.32Å; R104-Y265 WeakPolarHBondContact CB-OH 3.38Å; R104-Y265 HydrophobicContact CG-CD1 4.12Å; R104-Y265 HydrophobicContact CG-CE1 3.55Å; R104-Y265 HydrophobicContact CG-CE2 4.03Å; R104-Y265 PolarHBondContact O-OH 3.19Å; R104-Y265 VanDerWaalsContact O-OH 3.13Å; Q261-Y265 VanDerWaalsContact O-CD2 3.25Å; Q261-Y265 WeakPolarHBondContact O-CD2 3.36Å; Q261-Y265 PolarHBondContact O-N 3.36Å; F263-Y265 VanDerWaalsContact C-N 3.31Å; F263-Y265 PolarHBondContact O-N 3.36Å; Y265-R268 VanDerWaalsContact CD1-NH1 3.29Å; Y265-R268 WeakPolarHBondContact O-CB 3.29Å; Y265-R268 PolarHBondContact O-N 3.3Å; Y265-D269 PolarHBondContact O-N 2.88Å
266R97.5Very high96.9Very high87 Ų8723.4 Ų23.433%0.32811%0.111SC..Hα-helixtrans-64.3-44.3170.5-70.1-68.9-175.388.16.2112.1V262 F263 D269 H270 F338 D341 L342V262-R266 VanDerWaalsContact O-CG 3.31Å; V262-R266 WeakPolarHBondContact O-CG 3.47Å; V262-R266 PolarHBondContact O-N 3.46Å; F263-R266 PolarHBondContact O-N 2.81Å; R266-D269 PolarHBondContact O-N 3.01Å; R266-H270 WeakPolarHBondContact O-CB 3.39Å; R266-H270 PolarHBondContact O-N 3.49Å; R266-F338 HydrophobicContact CB-CD2 4.37Å; R266-F338 HydrophobicContact CB-CE2 4.25Å; R266-F338 PolarHBondContact NH1-O 2.9Å; R266-D341 IonicContact CZ-OD1 3.71Å; R266-D341 IonicContact CZ-OD2 2.76Å; R266-D341 IonicContact NH1-OD1 3.51Å; R266-D341 PolarHBondContact NH1-OD1 2.83Å; R266-D341 IonicContact NH1-OD2 3.59Å; R266-D341 PolarHBondContact NH1-OD2 2.72Å; R266-D341 IonicContact NH2-OD1 3.64Å; R266-D341 IonicContact NH2-OD2 2.8Å; R266-D341 PolarHBondContact NH2-OD2 3.43Å; R266-L342 HydrophobicContact CG-CD1 4.11Å
267I98.5Very high97.2Very high0 Ų030.1 Ų30.10%014%0.142CC..Hα-helixtrans-63.4-43.1176-66.7163.2000110.4F263 I264 D269 H270 L271 A300 V303 L304 M335 F338F263-I267 VanDerWaalsContact O-CG1 3.32Å; F263-I267 WeakPolarHBondContact O-CG1 3.36Å; F263-I267 PolarHBondContact O-N 2.9Å; I264-I267 PolarHBondContact O-N 3.47Å; I267-D269 VanDerWaalsContact C-N 3.33Å; I267-D269 PolarHBondContact O-N 3.38Å; I267-H270 PolarHBondContact O-N 3.35Å; I267-L271 HydrophobicContact CG2-CD1 4.01Å; I267-L271 HydrophobicContact CG2-CG 4.3Å; I267-L271 WeakPolarHBondContact O-CB 3.42Å; I267-L271 VanDerWaalsContact O-CG 3.29Å; I267-L271 WeakPolarHBondContact O-CG 3.47Å; I267-L271 PolarHBondContact O-N 3.47Å; I267-A300 HydrophobicContact CB-CB 3.96Å; I267-A300 HydrophobicContact CG2-CB 3.69Å; I267-V303 HydrophobicContact CG2-CB 4.01Å; I267-V303 HydrophobicContact CG2-CG1 3.78Å; I267-L304 HydrophobicContact CD1-CB 3.74Å; I267-L304 HydrophobicContact CD1-CD1 3.92Å; I267-L304 HydrophobicContact CD1-CG 4.36Å; I267-M335 HydrophobicContact CD1-CG 4.04Å; I267-M335 HydrophobicContact CD1-SD 4.49Å; I267-M335 HydrophobicContact CG1-CG 4.05Å; I267-F338 HydrophobicContact CG1-CE2 4.03Å; I267-F338 HydrophobicContact CG1-CZ 3.98Å
268R98Very high97.4Very high36 Ų3633.6 Ų33.614%0.13616%0.158CC..Hα-helixtrans-56.8-46.4176-177.2-158.672.2175.2-3.4111.5I264 Y265 L271 L272 M293 L296 A297 A300I264-R268 WeakPolarHBondContact O-CB 3.33Å; I264-R268 PolarHBondContact O-N 3.43Å; Y265-R268 VanDerWaalsContact CD1-NH1 3.29Å; Y265-R268 WeakPolarHBondContact O-CB 3.29Å; Y265-R268 PolarHBondContact O-N 3.3Å; R268-L271 PolarHBondContact O-N 2.93Å; R268-L272 WeakPolarHBondContact O-CB 3.46Å; R268-L272 PolarHBondContact O-N 3.05Å; R268-M293 HydrophobicContact CG-CE 4.26Å; R268-L296 HydrophobicContact CG-CB 3.69Å; R268-A297 HydrophobicContact CG-CB 4.49Å; R268-A300 HydrophobicContact CB-CB 3.93Å
269D97.4Very high97.4Very high54 Ų5436.9 Ų36.929%0.28917%0.172SC..Hα-helixtrans-69.6-36.3-178.4-67.8-9.4000111.6Y265 R266 I267 L272 E273Y265-D269 PolarHBondContact O-N 2.88Å; R266-D269 PolarHBondContact O-N 3.01Å; I267-D269 VanDerWaalsContact C-N 3.33Å; I267-D269 PolarHBondContact O-N 3.38Å; D269-L272 WeakPolarHBondContact O-CB 3.45Å; D269-L272 PolarHBondContact O-N 2.98Å; D269-E273 WeakPolarHBondContact O-CG 3.02Å; D269-E273 PolarHBondContact O-N 2.77Å
270H97.6Very high97.4Very high36 Ų3646 Ų4617%0.16721%0.212CC..Hα-helixtrans-64.8-41.6171.3-17471.3000112.6R266 I267 E273 K274 F338R266-H270 WeakPolarHBondContact O-CB 3.39Å; R266-H270 PolarHBondContact O-N 3.49Å; I267-H270 PolarHBondContact O-N 3.35Å; H270-E273 PolarHBondContact O-N 3.31Å; H270-K274 WeakPolarHBondContact NE2-CE 3.49Å; H270-K274 PolarHBondContact NE2-NZ 2.93Å; H270-K274 PolarHBondContact O-N 3.49Å; H270-F338 HydrophobicContact CB-CE1 4.26Å; H270-F338 HydrophobicContact CB-CZ 4.22Å; H270-F338 AromaticContact CD2-CE1 3.78Å; H270-F338 AromaticContact CG-CE1 3.82Å
271L98.2Very high97.4Very high0 Ų047.6 Ų47.60%022%0.219CC..Hα-helixtrans-63.2-42.3174.5-73.8172.2000111.6I267 R268 E273 F275 L296 E299 A300 V303 A315 L326 I330I267-L271 HydrophobicContact CG2-CD1 4.01Å; I267-L271 HydrophobicContact CG2-CG 4.3Å; I267-L271 WeakPolarHBondContact O-CB 3.42Å; I267-L271 VanDerWaalsContact O-CG 3.29Å; I267-L271 WeakPolarHBondContact O-CG 3.47Å; I267-L271 PolarHBondContact O-N 3.47Å; R268-L271 PolarHBondContact O-N 2.93Å; L271-E273 VanDerWaalsContact C-N 3.33Å; L271-E273 PolarHBondContact O-N 3.35Å; L271-F275 VanDerWaalsContact O-CB 3.25Å; L271-F275 WeakPolarHBondContact O-CB 3.3Å; L271-F275 PolarHBondContact O-N 2.86Å; L271-L296 HydrophobicContact CB-CD2 3.9Å; L271-E299 HydrophobicContact CD1-CG 4.39Å; L271-A300 HydrophobicContact CD1-CB 4.2Å; L271-V303 HydrophobicContact CD1-CG2 4.48Å; L271-A315 HydrophobicContact CD1-CB 4.44Å; L271-A315 HydrophobicContact CD2-CB 3.4Å; L271-L326 HydrophobicContact CB-CD2 4.31Å; L271-L326 HydrophobicContact CD2-CD2 4.18Å; L271-I330 HydrophobicContact CD2-CD1 3.36Å; L271-I330 HydrophobicContact CD2-CG1 4.43Å; L271-I330 HydrophobicContact CG-CD1 3.99Å
272L98.1Very high97.4Very high0 Ų051.2 Ų51.20%024%0.239CC..Hα-helixtrans-58.4-45.6174.3172.466.8000111.1R268 D269 F275 C276 K283 V286 K287 M293 L296R268-L272 WeakPolarHBondContact O-CB 3.46Å; R268-L272 PolarHBondContact O-N 3.05Å; D269-L272 WeakPolarHBondContact O-CB 3.45Å; D269-L272 PolarHBondContact O-N 2.98Å; L272-F275 PolarHBondContact O-N 3.27Å; L272-C276 WeakPolarHBondContact O-CB 3.28Å; L272-C276 PolarHBondContact O-N 2.89Å; L272-C276 PolarHBondContact O-SG 3.02Å; L272-K283 HydrophobicContact CD1-CG 4.46Å; L272-K283 HydrophobicContact CD2-CD 4.45Å; L272-K283 HydrophobicContact CD2-CG 3.94Å; L272-K283 HydrophobicContact CG-CG 4.07Å; L272-V286 HydrophobicContact CD1-CB 3.87Å; L272-V286 HydrophobicContact CD1-CG1 3.51Å; L272-K287 HydrophobicContact CD2-CD 4.23Å; L272-K287 HydrophobicContact CD2-CG 3.64Å; L272-M293 HydrophobicContact CD1-SD 4.25Å; L272-M293 HydrophobicContact CD2-CE 4.21Å; L272-M293 HydrophobicContact CD2-SD 4.18Å; L272-L296 HydrophobicContact CB-CD1 4.02Å; L272-L296 HydrophobicContact CD1-CD1 4.14Å
273E97.7Very high97.4Very high92 Ų9253.1 Ų53.143%0.4325%0.246SC..Hα-helixtrans-60.7-53.6178.4-77.1169.5-175.500111.8D269 H270 L271 F275 C276 E277 K283D269-E273 WeakPolarHBondContact O-CG 3.02Å; D269-E273 PolarHBondContact O-N 2.77Å; H270-E273 PolarHBondContact O-N 3.31Å; L271-E273 VanDerWaalsContact C-N 3.33Å; L271-E273 PolarHBondContact O-N 3.35Å; E273-F275 VanDerWaalsContact C-N 3.29Å; E273-F275 PolarHBondContact O-N 2.72Å; E273-C276 PolarHBondContact O-N 3.38Å; E273-E277 WeakPolarHBondContact O-CB 3.2Å; E273-E277 PolarHBondContact O-N 3.11Å; E273-K283 IonicContact OE1-NZ 3.25Å; E273-K283 PolarHBondContact OE1-NZ 2.95Å
274K97.4Very high97.3Very high40 Ų4057.9 Ų57.917%0.17427%0.271CS..Hα-helixtrans-60.9-38.3177.8-73.8-170.9166.9170.10111.9H270 I278 V328 K329 E334H270-K274 WeakPolarHBondContact NE2-CE 3.49Å; H270-K274 PolarHBondContact NE2-NZ 2.93Å; H270-K274 PolarHBondContact O-N 3.49Å; K274-I278 WeakPolarHBondContact O-CB 3.37Å; K274-I278 WeakPolarHBondContact O-CD1 3.49Å; K274-I278 WeakPolarHBondContact O-CG1 3.17Å; K274-I278 PolarHBondContact O-N 3.24Å; K274-V328 HydrophobicContact CB-CG1 4.17Å; K274-V328 HydrophobicContact CB-CG2 4.01Å; K274-V328 HydrophobicContact CD-CG1 3.34Å; K274-V328 HydrophobicContact CG-CG1 4.37Å; K274-K329 PolarHBondContact NZ-O 2.98Å; K274-E334 IonicContact NZ-OE1 3.24Å; K274-E334 PolarHBondContact NZ-OE1 3.42Å; K274-E334 VanDerWaalsContact NZ-OE1 3.15Å
275F97.9Very high97.2Very high1 Ų161.7 Ų61.70%0.00429%0.291CS..Hα-helixtrans-60.4-51.4175.8-179.7-118.4000111.9L271 L272 E273 E277 I278 K279 L281 V286 L320 F321 E324 L326L271-F275 VanDerWaalsContact O-CB 3.25Å; L271-F275 WeakPolarHBondContact O-CB 3.3Å; L271-F275 PolarHBondContact O-N 2.86Å; L272-F275 PolarHBondContact O-N 3.27Å; E273-F275 VanDerWaalsContact C-N 3.29Å; E273-F275 PolarHBondContact O-N 2.72Å; F275-E277 VanDerWaalsContact C-N 3.32Å; F275-E277 PolarHBondContact O-N 3.13Å; F275-I278 PolarHBondContact O-N 2.84Å; F275-K279 HydrophobicContact CD2-CG 3.86Å; F275-K279 HydrophobicContact CE2-CB 4.49Å; F275-K279 HydrophobicContact CE2-CG 3.63Å; F275-K279 HydrophobicContact CZ-CG 4.27Å; F275-K279 WeakPolarHBondContact O-CB 3.43Å; F275-K279 WeakPolarHBondContact O-CG 3.49Å; F275-K279 PolarHBondContact O-N 3.19Å; F275-L281 HydrophobicContact CD1-CD1 4.12Å; F275-L281 HydrophobicContact CE1-CD1 3.36Å; F275-L281 HydrophobicContact CE2-CD1 4.49Å; F275-L281 HydrophobicContact CZ-CD1 3.59Å; F275-V286 HydrophobicContact CD1-CG1 4.43Å; F275-V286 HydrophobicContact CE1-CG1 4.39Å; F275-V286 HydrophobicContact CE1-CG2 4.32Å; F275-L320 HydrophobicContact CB-CD2 4.47Å; F275-L320 HydrophobicContact CD1-CD2 3.7Å; F275-L320 HydrophobicContact CD1-CG 4.48Å; F275-L320 HydrophobicContact CD2-CD2 3.83Å; F275-L320 HydrophobicContact CE1-CD2 3.75Å; F275-L320 HydrophobicContact CE1-CG 4.07Å; F275-L320 HydrophobicContact CE2-CB 4.29Å; F275-L320 HydrophobicContact CE2-CD2 3.87Å; F275-L320 HydrophobicContact CE2-CG 4.44Å; F275-L320 HydrophobicContact CG-CD2 3.73Å; F275-L320 HydrophobicContact CZ-CB 4.07Å; F275-L320 HydrophobicContact CZ-CD2 3.84Å; F275-L320 HydrophobicContact CZ-CG 4.05Å; F275-F321 HydrophobicContact CE1-CB 3.89Å; F275-F321 HydrophobicContact CZ-CB 4.08Å; F275-E324 HydrophobicContact CE2-CB 4.07Å; F275-E324 HydrophobicContact CZ-CB 3.89Å; F275-L326 HydrophobicContact CB-CD1 3.85Å; F275-L326 HydrophobicContact CD2-CB 3.96Å; F275-L326 HydrophobicContact CD2-CD1 3.92Å; F275-L326 HydrophobicContact CD2-CG 4.49Å; F275-L326 HydrophobicContact CE2-CB 4.38Å; F275-L326 HydrophobicContact CG-CD1 4.31Å
276C97.7Very high97.2Very high11 Ų1160.1 Ų60.17%0.07429%0.285CS..Hα-helixtrans-66.2-36.3-177.7-63.10000111.7L272 E273 K280 L281 K283L272-C276 WeakPolarHBondContact O-CB 3.28Å; L272-C276 PolarHBondContact O-N 2.89Å; L272-C276 PolarHBondContact O-SG 3.02Å; E273-C276 PolarHBondContact O-N 3.38Å; C276-K280 CarbonylContact O-C 3.54Å; C276-K280 WeakPolarHBondContact O-CA 3.41Å; C276-K280 PolarHBondContact O-N 2.93Å; C276-L281 PolarHBondContact O-N 3.42Å; C276-K283 HydrophobicContact CB-CB 4.44Å
277E97Very high97.1Very high151 Ų15160.5 Ų60.571%0.70629%0.289SS*.Hα-helixtrans-64.1-52.6174.6-174.5-176.517400111.7E273 F275 K279 K280E273-E277 WeakPolarHBondContact O-CB 3.2Å; E273-E277 PolarHBondContact O-N 3.11Å; F275-E277 VanDerWaalsContact C-N 3.32Å; F275-E277 PolarHBondContact O-N 3.13Å; E277-K279 PolarHBondContact O-N 3.42Å; E277-K280 PolarHBondContact O-N 2.9Å
278I96.6Very high97Very high103 Ų10367.8 Ų67.853%0.52832%0.321SS..Hα-helixtrans-63.9-42.2-177.1-68.7165.7000111.2K274 F275 V328K274-I278 WeakPolarHBondContact O-CB 3.37Å; K274-I278 WeakPolarHBondContact O-CD1 3.49Å; K274-I278 WeakPolarHBondContact O-CG1 3.17Å; K274-I278 PolarHBondContact O-N 3.24Å; F275-I278 PolarHBondContact O-N 2.84Å; I278-V328 HydrophobicContact CD1-CG2 3.49Å; I278-V328 VanDerWaalsContact CD1-CG2 3.49Å
279K96.7Very high96.9Very high70 Ų7067.5 Ų67.530%0.30432%0.324SS..Hα-helixtrans-91.5-3.6-176.5-59.7-58.8-169.9158.40113.8F275 E277 L281 E324 D325F275-K279 HydrophobicContact CD2-CG 3.86Å; F275-K279 HydrophobicContact CE2-CB 4.49Å; F275-K279 HydrophobicContact CE2-CG 3.63Å; F275-K279 HydrophobicContact CZ-CG 4.27Å; F275-K279 WeakPolarHBondContact O-CB 3.43Å; F275-K279 WeakPolarHBondContact O-CG 3.49Å; F275-K279 PolarHBondContact O-N 3.19Å; E277-K279 PolarHBondContact O-N 3.42Å; K279-L281 VanDerWaalsContact C-N 3.29Å; K279-L281 HydrophobicContact CB-CD1 3.71Å; K279-L281 HydrophobicContact CB-CG 3.75Å; K279-L281 HydrophobicContact CG-CD1 4.49Å; K279-L281 PolarHBondContact O-N 3.42Å; K279-E324 HydrophobicContact CD-CB 4.34Å; K279-E324 HydrophobicContact CD-CG 4.42Å; K279-E324 WeakPolarHBondContact CD-OE2 3.33Å; K279-E324 VanDerWaalsContact CE-OE2 3.31Å; K279-E324 WeakPolarHBondContact CE-OE2 3.27Å; K279-E324 HydrophobicContact CG-CB 4.33Å; K279-E324 IonicContact NZ-OE2 3.3Å; K279-E324 PolarHBondContact NZ-OE2 3.07Å; K279-D325 WeakPolarHBondContact CE-O 3.45Å; K279-D325 PolarHBondContact NZ-O 3.45Å
280K96.5Very high96.8Very high193 Ų19368.3 Ų68.384%0.83933%0.326SS*.THydrogen-bonded Turntrans53.944.2-176.9-54.4178.8-178.4178.70112.4C276 E277C276-K280 CarbonylContact O-C 3.54Å; C276-K280 WeakPolarHBondContact O-CA 3.41Å; C276-K280 PolarHBondContact O-N 2.93Å; E277-K280 PolarHBondContact O-N 2.9Å
281L95.9Very high96.7Very high46 Ų4671 Ų7124%0.24133%0.334CS..  trans-97151.9-179.5-64.5170.9000111.1F275 C276 K279 K283 V286 F321F275-L281 HydrophobicContact CD1-CD1 4.12Å; F275-L281 HydrophobicContact CE1-CD1 3.36Å; F275-L281 HydrophobicContact CE2-CD1 4.49Å; F275-L281 HydrophobicContact CZ-CD1 3.59Å; C276-L281 PolarHBondContact O-N 3.42Å; K279-L281 VanDerWaalsContact C-N 3.29Å; K279-L281 HydrophobicContact CB-CD1 3.71Å; K279-L281 HydrophobicContact CB-CG 3.75Å; K279-L281 HydrophobicContact CG-CD1 4.49Å; K279-L281 PolarHBondContact O-N 3.42Å; L281-K283 PolarHBondContact O-N 3.26Å; L281-V286 HydrophobicContact CB-CG2 4.23Å; L281-V286 HydrophobicContact CD1-CG2 4.3Å; L281-F321 HydrophobicContact CD1-CD1 4.12Å
282D96Very high96.6Very high89 Ų8971 Ų7148%0.47633%0.334SS..  trans-70.9115.5168.6-177.8-13.4000110D284 L285 V286D282-D284 PolarHBondContact O-N 2.96Å; D282-D284 PolarHBondContact OD1-N 3.44Å; D282-L285 HydrophobicContact CB-CB 4.19Å; D282-L285 HydrophobicContact CB-CD1 3.86Å; D282-L285 HydrophobicContact CB-CG 3.88Å; D282-L285 PolarHBondContact O-N 2.9Å; D282-V286 PolarHBondContact O-N 3.35Å
283K96.9Very high96.6Very high62 Ų6271.9 Ų71.927%0.2734%0.339SS..Hα-helixtrans-56.8-36.6-179.8-170.9179.4-174178.70112.2L272 E273 C276 L281 V286 K287L272-K283 HydrophobicContact CD1-CG 4.46Å; L272-K283 HydrophobicContact CD2-CD 4.45Å; L272-K283 HydrophobicContact CD2-CG 3.94Å; L272-K283 HydrophobicContact CG-CG 4.07Å; E273-K283 IonicContact OE1-NZ 3.25Å; E273-K283 PolarHBondContact OE1-NZ 2.95Å; C276-K283 HydrophobicContact CB-CB 4.44Å; L281-K283 PolarHBondContact O-N 3.26Å; K283-V286 PolarHBondContact O-N 2.61Å; K283-K287 WeakPolarHBondContact O-CG 3.4Å; K283-K287 PolarHBondContact O-N 3.43Å
284D95.8Very high96.5Very high99 Ų9968.1 Ų68.153%0.52932%0.323SS..Hα-helixtrans-73.8-31.1-177.3-69.7-25.6000111.8D282 K288D282-D284 PolarHBondContact O-N 2.96Å; D282-D284 PolarHBondContact OD1-N 3.44Å; D284-K288 WeakPolarHBondContact O-CG 3.37Å; D284-K288 PolarHBondContact O-N 3.32Å
285L96.3Very high96.5Very high93 Ų9368.1 Ų68.149%0.48732%0.323SS..Hα-helixtrans-67.2-43171.4-65.9-178.1000111.6D282 K288 F321D282-L285 HydrophobicContact CB-CB 4.19Å; D282-L285 HydrophobicContact CB-CD1 3.86Å; D282-L285 HydrophobicContact CB-CG 3.88Å; D282-L285 PolarHBondContact O-N 2.9Å; L285-K288 PolarHBondContact O-N 2.93Å; L285-F321 HydrophobicContact CB-CZ 4.28Å
286V96.9Very high96.5Very high0 Ų068 Ų680%032%0.322CS..Hα-helixtrans-64.9-42178-176.60000110.7L272 F275 L281 D282 K283 K288 S289 A292 F321L272-V286 HydrophobicContact CD1-CB 3.87Å; L272-V286 HydrophobicContact CD1-CG1 3.51Å; F275-V286 HydrophobicContact CD1-CG1 4.43Å; F275-V286 HydrophobicContact CE1-CG1 4.39Å; F275-V286 HydrophobicContact CE1-CG2 4.32Å; L281-V286 HydrophobicContact CB-CG2 4.23Å; L281-V286 HydrophobicContact CD1-CG2 4.3Å; D282-V286 PolarHBondContact O-N 3.35Å; K283-V286 PolarHBondContact O-N 2.61Å; V286-K288 VanDerWaalsContact C-N 3.27Å; V286-K288 PolarHBondContact O-N 3.21Å; V286-S289 WeakPolarHBondContact O-CB 3.2Å; V286-S289 PolarHBondContact O-N 2.9Å; V286-A292 HydrophobicContact CG1-CB 4.22Å; V286-F321 HydrophobicContact CG1-CD2 4.5Å; V286-F321 HydrophobicContact CG1-CG 4.47Å; V286-F321 HydrophobicContact CG2-CD1 3.87Å; V286-F321 HydrophobicContact CG2-CD2 4.45Å; V286-F321 HydrophobicContact CG2-CE1 4.08Å; V286-F321 HydrophobicContact CG2-CG 4.05Å; V286-F321 HydrophobicContact CG2-CZ 4.49Å
287K96Very high96.4Very high95 Ų9568.5 Ų68.541%0.41333%0.327SS..Hα-helixtrans-59.2-34176.7-78.8-179.7173.7-177.50113.7L272 K283 S289 M293L272-K287 HydrophobicContact CD2-CD 4.23Å; L272-K287 HydrophobicContact CD2-CG 3.64Å; K283-K287 WeakPolarHBondContact O-CG 3.4Å; K283-K287 PolarHBondContact O-N 3.43Å; K287-S289 PolarHBondContact O-N 3.29Å; K287-M293 HydrophobicContact CG-SD 4.32Å
288K95.5Very high96.3Very high153 Ų15364.4 Ų64.467%0.66531%0.309SS*.Hα-helixtrans-69.7-18.7176.1-73.3172.3-176.9175.60113D284 L285 V286 H290D284-K288 WeakPolarHBondContact O-CG 3.37Å; D284-K288 PolarHBondContact O-N 3.32Å; L285-K288 PolarHBondContact O-N 2.93Å; V286-K288 VanDerWaalsContact C-N 3.27Å; V286-K288 PolarHBondContact O-N 3.21Å; K288-H290 PolarHBondContact O-N 2.86Å
289S96.1Very high96.4Very high29 Ų2960.6 Ų60.620%0.20329%0.289CS..  trans-82.795.9173.7-179.30000110.7V286 K287 R291 A292 M293V286-S289 WeakPolarHBondContact O-CB 3.2Å; V286-S289 PolarHBondContact O-N 2.9Å; K287-S289 PolarHBondContact O-N 3.29Å; S289-R291 PolarHBondContact O-N 3.43Å; S289-A292 PolarHBondContact O-N 2.84Å; S289-A292 WeakPolarHBondContact OG-CB 3.34Å; S289-A292 PolarHBondContact OG-N 2.97Å; S289-M293 PolarHBondContact O-N 3.48Å
290H95.2Very high96.5Very high72 Ų7257.2 Ų57.233%0.33328%0.275SS..Hα-helixtrans-54.2-37174.7-58.3-47.7000112P78 Y107 K288 M293 S294P78-H290 HydrophobicContact CG-CB 3.74Å; Y107-H290 HydrophobicContact CD1-CB 3.77Å; Y107-H290 AromaticContact CD1-CG 3.75Å; Y107-H290 AromaticContact CD1-ND1 3.74Å; Y107-H290 HydrophobicContact CE1-CB 4.47Å; Y107-H290 HydrophobicContact CG-CB 4.39Å; K288-H290 PolarHBondContact O-N 2.86Å; H290-M293 PolarHBondContact O-N 3.1Å; H290-S294 WeakPolarHBondContact O-CB 3.45Å; H290-S294 PolarHBondContact O-N 2.9Å; H290-S294 PolarHBondContact O-OG 2.88Å; H290-S294 VanDerWaalsContact O-OG 3.08Å
291R95.6Very high96.5Very high91 Ų9149.6 Ų49.634%0.34325%0.245SC..Hα-helixtrans-59-49.6174.3-166-167.877.5159.54.6112S75 S289 S294 K295 N319S75-R291 WeakPolarHBondContact O-CG 3.5Å; S289-R291 PolarHBondContact O-N 3.43Å; R291-S294 PolarHBondContact O-N 3.41Å; R291-K295 WeakPolarHBondContact O-CG 3.43Å; R291-K295 PolarHBondContact O-N 3.43Å; R291-N319 PolarHBondContact NH2-O 3.46Å; R291-N319 VanDerWaalsContact NH2-O 3.1Å
292A97.1Very high96.5Very high0 Ų050 Ų500%025%0.248CC..Hα-helixtrans-65.4-44.4-179.400000111.1V286 S289 S294 K295 L296 L320 F321V286-A292 HydrophobicContact CG1-CB 4.22Å; S289-A292 PolarHBondContact O-N 2.84Å; S289-A292 WeakPolarHBondContact OG-CB 3.34Å; S289-A292 PolarHBondContact OG-N 2.97Å; A292-S294 PolarHBondContact O-N 2.92Å; A292-K295 PolarHBondContact O-N 3.3Å; A292-L296 WeakPolarHBondContact O-CG 3.35Å; A292-L296 PolarHBondContact O-N 2.95Å; A292-L320 HydrophobicContact CB-CD1 3.88Å; A292-L320 HydrophobicContact CB-CG 4.47Å; A292-L320 WeakPolarHBondContact CB-O 3.34Å; A292-L320 WeakPolarHBondContact O-CD1 3.36Å; A292-F321 HydrophobicContact CB-CB 4.47Å; A292-F321 HydrophobicContact CB-CD2 4.29Å
293M97.2Very high96.6Very high20 Ų2045.9 Ų45.910%0.09923%0.226CC..Hα-helixtrans-64.6-37.6178.6-66.7-54.1-61.700112.8R268 L272 K287 S289 H290 L296 A297R268-M293 HydrophobicContact CG-CE 4.26Å; L272-M293 HydrophobicContact CD1-SD 4.25Å; L272-M293 HydrophobicContact CD2-CE 4.21Å; L272-M293 HydrophobicContact CD2-SD 4.18Å; K287-M293 HydrophobicContact CG-SD 4.32Å; S289-M293 PolarHBondContact O-N 3.48Å; H290-M293 PolarHBondContact O-N 3.1Å; M293-L296 PolarHBondContact O-N 3.36Å; M293-L296 HydrophobicContact SD-CD1 4.08Å; M293-A297 PolarHBondContact O-N 2.96Å
294S95.9Very high96.7Very high12 Ų1243.3 Ų43.38%0.08422%0.215CC..Hα-helixtrans-67.8-41.4174-68.60000112.3A74 P78 H290 R291 A292 L296 A297 L298A74-S294 WeakPolarHBondContact O-CB 3.48Å; P78-S294 WeakPolarHBondContact CB-OG 3.26Å; H290-S294 WeakPolarHBondContact O-CB 3.45Å; H290-S294 PolarHBondContact O-N 2.9Å; H290-S294 PolarHBondContact O-OG 2.88Å; H290-S294 VanDerWaalsContact O-OG 3.08Å; R291-S294 PolarHBondContact O-N 3.41Å; A292-S294 PolarHBondContact O-N 2.92Å; S294-L296 VanDerWaalsContact C-N 3.34Å; S294-L296 PolarHBondContact O-N 2.9Å; S294-A297 PolarHBondContact O-N 3.4Å; S294-L298 WeakPolarHBondContact O-CG 3.42Å; S294-L298 PolarHBondContact O-N 3.22Å
295K97.1Very high96.8Very high40 Ų4043 Ų4317%0.17422%0.217CC..Hα-helixtrans-59.1-44.2172.2-77.2-175.7168.8-165.40111.9R291 A292 A297 L298 E299 V317 E318 N319 L320R291-K295 WeakPolarHBondContact O-CG 3.43Å; R291-K295 PolarHBondContact O-N 3.43Å; A292-K295 PolarHBondContact O-N 3.3Å; K295-A297 VanDerWaalsContact C-N 3.34Å; K295-A297 PolarHBondContact O-N 2.88Å; K295-L298 PolarHBondContact O-N 2.94Å; K295-E299 PolarHBondContact O-N 3.01Å; K295-V317 HydrophobicContact CB-CG1 3.96Å; K295-V317 HydrophobicContact CD-CG1 3.89Å; K295-V317 HydrophobicContact CG-CG1 4.43Å; K295-E318 PolarHBondContact NZ-O 2.88Å; K295-N319 PolarHBondContact NZ-O 3.25Å; K295-L320 HydrophobicContact CB-CD1 4Å; K295-L320 HydrophobicContact CD-CD1 4.43Å
296L97.8Very high96.8Very high0 Ų043 Ų430%021%0.213CC..Hα-helixtrans-63-38.3176.2-75.3171000112.3R268 L271 L272 A292 M293 S294 E299 A300 L320 L326R268-L296 HydrophobicContact CG-CB 3.69Å; L271-L296 HydrophobicContact CB-CD2 3.9Å; L272-L296 HydrophobicContact CB-CD1 4.02Å; L272-L296 HydrophobicContact CD1-CD1 4.14Å; A292-L296 WeakPolarHBondContact O-CG 3.35Å; A292-L296 PolarHBondContact O-N 2.95Å; M293-L296 PolarHBondContact O-N 3.36Å; M293-L296 HydrophobicContact SD-CD1 4.08Å; S294-L296 VanDerWaalsContact C-N 3.34Å; S294-L296 PolarHBondContact O-N 2.9Å; L296-E299 PolarHBondContact O-N 3.19Å; L296-A300 WeakPolarHBondContact O-CB 3.34Å; L296-A300 PolarHBondContact O-N 3.17Å; L296-L320 HydrophobicContact CD1-CD1 4.41Å; L296-L320 HydrophobicContact CD1-CD2 4.3Å; L296-L320 HydrophobicContact CD2-CD1 4.25Å; L296-L320 HydrophobicContact CD2-CD2 3.67Å; L296-L320 HydrophobicContact CG-CD1 3.81Å; L296-L320 HydrophobicContact CG-CD2 3.99Å; L296-L326 HydrophobicContact CD2-CD2 3.58Å
297A96.4Very high96.9Very high20 Ų2043 Ų4317%0.16521%0.213CC..Hα-helixtrans-66.8-41.5178.100000112.1R268 M293 S294 K295 A300 S301R268-A297 HydrophobicContact CG-CB 4.49Å; M293-A297 PolarHBondContact O-N 2.96Å; S294-A297 PolarHBondContact O-N 3.4Å; K295-A297 VanDerWaalsContact C-N 3.34Å; K295-A297 PolarHBondContact O-N 2.88Å; A297-A300 PolarHBondContact O-N 3.38Å; A297-S301 PolarHBondContact O-N 2.94Å
298L95.5Very high96.9Very high65 Ų6539.8 Ų39.834%0.3420%0.203SC..Hα-helixtrans-61.3-46174.2-70.6171.9000111.3V71 S294 K295 S301 N302V71-L298 HydrophobicContact CG1-CD2 3.72Å; S294-L298 WeakPolarHBondContact O-CG 3.42Å; S294-L298 PolarHBondContact O-N 3.22Å; K295-L298 PolarHBondContact O-N 2.94Å; L298-S301 WeakPolarHBondContact O-CB 3.2Å; L298-S301 PolarHBondContact O-N 3.33Å; L298-N302 PolarHBondContact O-N 3.4Å
299E97.9Very high97Very high23 Ų2336.2 Ų36.211%0.10720%0.202CC..Hα-helixtrans-67.9-37.5177.3-179.759.2-179.600111.8L271 K295 L296 S301 N302 V303 A315 Q316 V317L271-E299 HydrophobicContact CD1-CG 4.39Å; K295-E299 PolarHBondContact O-N 3.01Å; L296-E299 PolarHBondContact O-N 3.19Å; E299-S301 VanDerWaalsContact C-N 3.27Å; E299-S301 PolarHBondContact O-N 2.79Å; E299-N302 CarbonylContact O-C 3.55Å; E299-N302 WeakPolarHBondContact O-CA 3.33Å; E299-N302 VanDerWaalsContact O-CB 3.31Å; E299-N302 WeakPolarHBondContact O-CB 3.47Å; E299-N302 PolarHBondContact O-N 2.69Å; E299-N302 VanDerWaalsContact O-N 3.1Å; E299-N302 PolarHBondContact OE2-ND2 3.1Å; E299-V303 HydrophobicContact CG-CG2 4.26Å; E299-V303 VanDerWaalsContact O-CG2 3.26Å; E299-V303 WeakPolarHBondContact O-CG2 3.19Å; E299-V303 PolarHBondContact O-N 2.92Å; E299-A315 HydrophobicContact CG-CB 4.2Å; E299-A315 WeakPolarHBondContact OE1-CA 3.31Å; E299-Q316 PolarHBondContact OE1-N 2.83Å; E299-V317 HydrophobicContact CB-CG2 3.65Å; E299-V317 HydrophobicContact CG-CG2 3.81Å
300A98.2Very high97.1Very high0 Ų038.9 Ų38.90%021%0.214CC..Hα-helixtrans-59.8-36.8174.900000112.7I264 I267 R268 L271 L296 A297 V303 L304I264-A300 HydrophobicContact CG2-CB 3.94Å; I264-A300 VanDerWaalsContact O-CB 3.3Å; I264-A300 WeakPolarHBondContact O-CB 3.48Å; I267-A300 HydrophobicContact CB-CB 3.96Å; I267-A300 HydrophobicContact CG2-CB 3.69Å; R268-A300 HydrophobicContact CB-CB 3.93Å; L271-A300 HydrophobicContact CD1-CB 4.2Å; L296-A300 WeakPolarHBondContact O-CB 3.34Å; L296-A300 PolarHBondContact O-N 3.17Å; A297-A300 PolarHBondContact O-N 3.38Å; A300-V303 PolarHBondContact O-N 2.93Å; A300-L304 PolarHBondContact O-N 2.76Å
301S96.5Very high97.2Very high32 Ų3239.4 Ų39.422%0.22423%0.225CC..Hα-helixtrans-63.8-44.3172.5-173.20000112.3A297 L298 E299 V303 L304 T305A297-S301 PolarHBondContact O-N 2.94Å; L298-S301 WeakPolarHBondContact O-CB 3.2Å; L298-S301 PolarHBondContact O-N 3.33Å; E299-S301 VanDerWaalsContact C-N 3.27Å; E299-S301 PolarHBondContact O-N 2.79Å; S301-V303 PolarHBondContact O-N 3.21Å; S301-L304 PolarHBondContact O-N 2.85Å; S301-T305 PolarHBondContact O-N 2.89Å; S301-T305 PolarHBondContact O-OG1 3.15Å; S301-T305 VanDerWaalsContact O-OG1 3.1Å
302N96.8Very high97.3Very high56 Ų5639.2 Ų39.230%0.29923%0.229SC..Hα-helixtrans-60.2-44.6174.2-175.635.9000111.9L298 E299 T305 K306L298-N302 PolarHBondContact O-N 3.4Å; E299-N302 CarbonylContact O-C 3.55Å; E299-N302 WeakPolarHBondContact O-CA 3.33Å; E299-N302 VanDerWaalsContact O-CB 3.31Å; E299-N302 WeakPolarHBondContact O-CB 3.47Å; E299-N302 PolarHBondContact O-N 2.69Å; E299-N302 VanDerWaalsContact O-N 3.1Å; E299-N302 PolarHBondContact OE2-ND2 3.1Å; N302-T305 PolarHBondContact O-N 3.05Å; N302-K306 PolarHBondContact ND2-NZ 3.47Å; N302-K306 WeakPolarHBondContact O-CB 3.4Å; N302-K306 WeakPolarHBondContact O-CG 3.28Å; N302-K306 PolarHBondContact O-N 2.8Å; N302-K306 WeakPolarHBondContact OD1-CD 3.44Å; N302-K306 WeakPolarHBondContact OD1-CE 3.22Å; N302-K306 PolarHBondContact OD1-NZ 2.69Å; N302-K306 VanDerWaalsContact OD1-NZ 3.13Å
303V98.4Very high97.3Very high1 Ų140.2 Ų40.21%0.00623%0.234CC..Hα-helixtrans-59.2-49.8175.6169.70000110.9I267 L271 E299 A300 S301 T305 K306 L307 I313 A315 I330I267-V303 HydrophobicContact CG2-CB 4.01Å; I267-V303 HydrophobicContact CG2-CG1 3.78Å; L271-V303 HydrophobicContact CD1-CG2 4.48Å; E299-V303 HydrophobicContact CG-CG2 4.26Å; E299-V303 VanDerWaalsContact O-CG2 3.26Å; E299-V303 WeakPolarHBondContact O-CG2 3.19Å; E299-V303 PolarHBondContact O-N 2.92Å; A300-V303 PolarHBondContact O-N 2.93Å; S301-V303 PolarHBondContact O-N 3.21Å; V303-T305 VanDerWaalsContact C-N 3.32Å; V303-T305 PolarHBondContact O-N 3.41Å; V303-K306 PolarHBondContact O-N 2.94Å; V303-L307 HydrophobicContact CG1-CD1 3.61Å; V303-L307 HydrophobicContact CG1-CG 4.2Å; V303-L307 VanDerWaalsContact O-CB 3.32Å; V303-L307 WeakPolarHBondContact O-CB 3.18Å; V303-L307 VanDerWaalsContact O-CG 3.3Å; V303-L307 WeakPolarHBondContact O-CG 3.43Å; V303-L307 PolarHBondContact O-N 3.07Å; V303-I313 HydrophobicContact CB-CD1 4.19Å; V303-I313 HydrophobicContact CG1-CD1 3.89Å; V303-I313 HydrophobicContact CG1-CG1 4.28Å; V303-I313 HydrophobicContact CG2-CD1 3.63Å; V303-A315 HydrophobicContact CG2-CB 3.67Å; V303-I330 HydrophobicContact CG1-CD1 4.38Å; V303-I330 HydrophobicContact CG1-CG2 4.45Å
304L98.2Very high97.4Very high8 Ų844.3 Ų44.34%0.04225%0.251CS..Hα-helixtrans-58-45.7179.1-179.263.1000111.7T260 F263 I264 I267 A300 S301 S308 M335 I374T260-L304 HydrophobicContact CG2-CD2 4.49Å; F263-L304 HydrophobicContact CB-CD1 4.06Å; F263-L304 HydrophobicContact CB-CD2 3.98Å; I264-L304 HydrophobicContact CD1-CD2 4.4Å; I264-L304 HydrophobicContact CG1-CD2 3.74Å; I267-L304 HydrophobicContact CD1-CB 3.74Å; I267-L304 HydrophobicContact CD1-CD1 3.92Å; I267-L304 HydrophobicContact CD1-CG 4.36Å; A300-L304 PolarHBondContact O-N 2.76Å; S301-L304 PolarHBondContact O-N 2.85Å; L304-S308 PolarHBondContact O-N 3.16Å; L304-S308 VanDerWaalsContact O-N 3.15Å; L304-S308 PolarHBondContact O-OG 2.88Å; L304-M335 HydrophobicContact CD1-CE 4.03Å; L304-M335 HydrophobicContact CD1-SD 4.07Å; L304-I374 HydrophobicContact CD1-CD1 3.99Å; L304-I374 HydrophobicContact CD1-CG1 4.36Å
305T97.1Very high97.5Very high94 Ų9443.7 Ų43.758%0.57725%0.247SC*.Hα-helixtrans-64.5-48.1-179.4-62.70000110.9S301 N302 V303 L307 S308S301-T305 PolarHBondContact O-N 2.89Å; S301-T305 PolarHBondContact O-OG1 3.15Å; S301-T305 VanDerWaalsContact O-OG1 3.1Å; N302-T305 PolarHBondContact O-N 3.05Å; V303-T305 VanDerWaalsContact C-N 3.32Å; V303-T305 PolarHBondContact O-N 3.41Å; T305-L307 PolarHBondContact O-N 3.33Å; T305-S308 WeakPolarHBondContact O-CB 3.43Å; T305-S308 PolarHBondContact O-N 3.31Å
306K98.1Very high97.5Very high91 Ų9146.8 Ų46.840%0.39626%0.262SS..Hα-helixtrans-69.5-34.7-178.8-69173.6172.4162.50113.1N302 V303 S308 A309 N310 I313N302-K306 PolarHBondContact ND2-NZ 3.47Å; N302-K306 WeakPolarHBondContact O-CB 3.4Å; N302-K306 WeakPolarHBondContact O-CG 3.28Å; N302-K306 PolarHBondContact O-N 2.8Å; N302-K306 WeakPolarHBondContact OD1-CD 3.44Å; N302-K306 WeakPolarHBondContact OD1-CE 3.22Å; N302-K306 PolarHBondContact OD1-NZ 2.69Å; N302-K306 VanDerWaalsContact OD1-NZ 3.13Å; V303-K306 PolarHBondContact O-N 2.94Å; K306-S308 PolarHBondContact O-N 3.49Å; K306-A309 PolarHBondContact O-N 3.44Å; K306-N310 WeakPolarHBondContact O-CB 3.07Å; K306-N310 PolarHBondContact O-N 3Å; K306-N310 PolarHBondContact O-ND2 3.36Å; K306-I313 HydrophobicContact CB-CG2 3.69Å; K306-I313 HydrophobicContact CD-CG2 4.36Å
307L98.1Very high97.5Very high1 Ų147.5 Ų47.51%0.00527%0.266CS..Hα-helixtrans-69.8-20174.6-72.9178.2000112.8V303 T305 A309 N310 I313 I330 R332 M335V303-L307 HydrophobicContact CG1-CD1 3.61Å; V303-L307 HydrophobicContact CG1-CG 4.2Å; V303-L307 VanDerWaalsContact O-CB 3.32Å; V303-L307 WeakPolarHBondContact O-CB 3.18Å; V303-L307 VanDerWaalsContact O-CG 3.3Å; V303-L307 WeakPolarHBondContact O-CG 3.43Å; V303-L307 PolarHBondContact O-N 3.07Å; T305-L307 PolarHBondContact O-N 3.33Å; L307-A309 PolarHBondContact O-N 2.88Å; L307-N310 CarbonylContact C-O 3.54Å; L307-N310 WeakPolarHBondContact CA-O 3.21Å; L307-I313 HydrophobicContact CD2-CG1 3.89Å; L307-I313 HydrophobicContact CD2-CG2 4.36Å; L307-I313 HydrophobicContact CG-CG1 3.95Å; L307-I330 HydrophobicContact CD1-CG2 3.88Å; L307-R332 HydrophobicContact CD2-CB 4.33Å; L307-R332 VanDerWaalsContact O-CZ 3.29Å; L307-R332 PolarHBondContact O-NE 3.33Å; L307-R332 PolarHBondContact O-NH2 3.16Å; L307-M335 HydrophobicContact CB-CE 3.45Å; L307-M335 VanDerWaalsContact CB-CE 3.45Å; L307-M335 HydrophobicContact CD1-CB 4.15Å; L307-M335 HydrophobicContact CD1-CE 3.51Å; L307-M335 HydrophobicContact CG-CE 4.13Å
308S96.3Very high97.5Very high28 Ų2854.1 Ų54.120%0.19629%0.294CS..Hα-helixtrans-67.8-27171.4-59.30000112L304 T305 K306L304-S308 PolarHBondContact O-N 3.16Å; L304-S308 VanDerWaalsContact O-N 3.15Å; L304-S308 PolarHBondContact O-OG 2.88Å; T305-S308 WeakPolarHBondContact O-CB 3.43Å; T305-S308 PolarHBondContact O-N 3.31Å; K306-S308 PolarHBondContact O-N 3.49Å
309A96.6Very high97.5Very high78 Ų7854.3 Ų54.365%0.64530%0.295SS*.Hα-helixtrans-98-36.1175.200000113.3K306 L307 R332K306-A309 PolarHBondContact O-N 3.44Å; L307-A309 PolarHBondContact O-N 2.88Å; A309-R332 VanDerWaalsContact C-NH2 3.31Å; A309-R332 PolarHBondContact O-NH2 2.99Å
310N97.9Very high97.5Very high84 Ų8453.2 Ų53.245%0.44929%0.29SS..  trans-114.4156.3-171.7-57.2-79.6000112.5K306 L307 I313 R332K306-N310 WeakPolarHBondContact O-CB 3.07Å; K306-N310 PolarHBondContact O-N 3Å; K306-N310 PolarHBondContact O-ND2 3.36Å; L307-N310 CarbonylContact C-O 3.54Å; L307-N310 WeakPolarHBondContact CA-O 3.21Å; N310-I313 HydrophobicContact CB-CG2 4.49Å; N310-R332 PolarHBondContact O-NE 2.62Å; N310-R332 PolarHBondContact O-NH2 2.94Å
311S97.9Very high97.4Very high83 Ų8354.4 Ų54.458%0.5830%0.295SS*.SBendtrans-77-23.8174.852.30000113.3T331 R332S311-T331 CarbonylContact O-C 3.52Å; S311-T331 WeakPolarHBondContact O-CA 3.5Å; S311-R332 PolarHBondContact O-N 3.41Å
312E97.8Very high97.3Very high88 Ų8859 Ų5941%0.41132%0.318SS..EExtended strand (participates in β ladder)trans-153.6155-179.862.3179.1-128.400112.3K329 I330 T331E312-K329 VanDerWaalsContact OE1-CE 3.3Å; E312-K329 WeakPolarHBondContact OE1-CE 3.48Å; E312-K329 IonicContact OE1-NZ 3.62Å; E312-K329 PolarHBondContact OE1-NZ 3.32Å; E312-K329 WeakPolarHBondContact OE2-CE 3.37Å; E312-K329 IonicContact OE2-NZ 3.82Å; E312-K329 PolarHBondContact OE2-NZ 3.04Å; E312-I330 WeakPolarHBondContact CA-O 3.42Å; E312-T331 HydrophobicContact CB-CG2 4.07Å
313I98Very high97.2Very high21 Ų2158.8 Ų58.811%0.10833%0.328CS..EExtended strand (participates in β ladder)trans-145.4167.7174.357.679.6000110.7V303 K306 L307 N310 A315 K329 I330V303-I313 HydrophobicContact CB-CD1 4.19Å; V303-I313 HydrophobicContact CG1-CD1 3.89Å; V303-I313 HydrophobicContact CG1-CG1 4.28Å; V303-I313 HydrophobicContact CG2-CD1 3.63Å; K306-I313 HydrophobicContact CB-CG2 3.69Å; K306-I313 HydrophobicContact CD-CG2 4.36Å; L307-I313 HydrophobicContact CD2-CG1 3.89Å; L307-I313 HydrophobicContact CD2-CG2 4.36Å; L307-I313 HydrophobicContact CG-CG1 3.95Å; N310-I313 HydrophobicContact CB-CG2 4.49Å; I313-A315 HydrophobicContact CD1-CB 4.15Å; I313-K329 WeakPolarHBondContact O-CA 3.47Å; I313-I330 HydrophobicContact CD1-CB 4.2Å; I313-I330 PolarHBondContact N-O 2.84Å; I313-I330 PolarHBondContact O-N 3.08Å
314F98.2Very high97.2Very high105 Ų10562.4 Ų62.446%0.46135%0.345SS..EExtended strand (participates in β ladder)trans-103.3119.4161.2-76.8-90.5000109.7Q316 K327 V328 K329F314-Q316 HydrophobicContact CB-CG 4.29Å; F314-K327 HydrophobicContact CD1-CG 4.27Å; F314-V328 CarbonylContact C-O 3.44Å; F314-V328 WeakPolarHBondContact CA-O 3.36Å; F314-K329 HydrophobicContact CD1-CB 4.07Å; F314-K329 HydrophobicContact CE1-CB 3.77Å; F314-K329 HydrophobicContact CE1-CG 4.46Å; F314-K329 HydrophobicContact CZ-CB 4.17Å; F314-K329 HydrophobicContact CZ-CD 4.24Å; F314-K329 HydrophobicContact CZ-CG 4.4Å
315A98.3Very high97.2Very high0 Ų065.9 Ų65.90%036%0.364CS..EExtended strand (participates in β ladder)trans-77.6128.3169.500000109.4L271 E299 V303 I313 K327 V328 I330L271-A315 HydrophobicContact CD1-CB 4.44Å; L271-A315 HydrophobicContact CD2-CB 3.4Å; E299-A315 HydrophobicContact CG-CB 4.2Å; E299-A315 WeakPolarHBondContact OE1-CA 3.31Å; V303-A315 HydrophobicContact CG2-CB 3.67Å; I313-A315 HydrophobicContact CD1-CB 4.15Å; A315-K327 VanDerWaalsContact O-CA 3.32Å; A315-K327 WeakPolarHBondContact O-CA 3.33Å; A315-V328 PolarHBondContact N-O 3.28Å; A315-V328 PolarHBondContact O-N 3.42Å; A315-I330 HydrophobicContact CB-CD1 4.36Å
316Q97.9Very high97.2Very high104 Ų10461.7 Ų61.749%0.48634%0.337SS..EExtended strand (participates in β ladder)trans-137.6128.6-172.3-63.3-177.728.600112.1E299 F314 L326 K327E299-Q316 PolarHBondContact OE1-N 2.83Å; F314-Q316 HydrophobicContact CB-CG 4.29Å; Q316-L326 CarbonylContact C-O 3.33Å; Q316-L326 VanDerWaalsContact CA-O 3.26Å; Q316-L326 WeakPolarHBondContact CA-O 3.41Å; Q316-K327 HydrophobicContact CG-CB 4.4Å; Q316-K327 HydrophobicContact CG-CD 4.5Å; Q316-K327 HydrophobicContact CG-CG 4.04Å
317V97.4Very high97.2Very high16 Ų1664 Ų6410%0.09735%0.347CS..EExtended strand (participates in β ladder)trans-141.1118.3174.8-175.10000110K295 E299 L320 D325 L326K295-V317 HydrophobicContact CB-CG1 3.96Å; K295-V317 HydrophobicContact CD-CG1 3.89Å; K295-V317 HydrophobicContact CG-CG1 4.43Å; E299-V317 HydrophobicContact CB-CG2 3.65Å; E299-V317 HydrophobicContact CG-CG2 3.81Å; V317-L320 HydrophobicContact CB-CB 4.36Å; V317-L320 HydrophobicContact CG1-CB 4.01Å; V317-L320 HydrophobicContact CG1-CD1 4.02Å; V317-D325 WeakPolarHBondContact O-CA 3.26Å; V317-L326 HydrophobicContact CB-CB 4.12Å; V317-L326 HydrophobicContact CG2-CD2 4.24Å; V317-L326 PolarHBondContact N-O 2.76Å; V317-L326 PolarHBondContact O-N 2.95Å
318E96.5Very high97.2Very high158 Ų15864.3 Ų64.374%0.73835%0.35SS*.EExtended strand (participates in β ladder)trans-78140.7175.1-63.7179.2179.800112K295 L320 D325K295-E318 PolarHBondContact NZ-O 2.88Å; E318-L320 VanDerWaalsContact C-N 3.28Å; E318-L320 PolarHBondContact O-N 3.48Å; E318-D325 WeakPolarHBondContact CA-OD1 3.36Å
319N95.7Very high97.2Very high70 Ų7067.2 Ų67.237%0.37436%0.359SS..EExtended strand (participates in β ladder)trans42.356.9-180-174.56.7000110.9R291 K295 G323 D325R291-N319 PolarHBondContact NH2-O 3.46Å; R291-N319 VanDerWaalsContact NH2-O 3.1Å; K295-N319 PolarHBondContact NZ-O 3.25Å; N319-G323 VanDerWaalsContact OD1-CA 3.28Å; N319-G323 WeakPolarHBondContact OD1-CA 3.48Å; N319-G323 PolarHBondContact OD1-N 2.87Å; N319-G323 VanDerWaalsContact OD1-N 3.09Å; N319-D325 PolarHBondContact N-OD1 2.82Å
320L96.9Very high97.3Very high0 Ų063.5 Ų63.50%033%0.328CS..EExtended strand (participates in β ladder)trans-65.9-53.8-176.3172.856.6000109.4F275 A292 K295 L296 V317 E318 E324 L326F275-L320 HydrophobicContact CB-CD2 4.47Å; F275-L320 HydrophobicContact CD1-CD2 3.7Å; F275-L320 HydrophobicContact CD1-CG 4.48Å; F275-L320 HydrophobicContact CD2-CD2 3.83Å; F275-L320 HydrophobicContact CE1-CD2 3.75Å; F275-L320 HydrophobicContact CE1-CG 4.07Å; F275-L320 HydrophobicContact CE2-CB 4.29Å; F275-L320 HydrophobicContact CE2-CD2 3.87Å; F275-L320 HydrophobicContact CE2-CG 4.44Å; F275-L320 HydrophobicContact CG-CD2 3.73Å; F275-L320 HydrophobicContact CZ-CB 4.07Å; F275-L320 HydrophobicContact CZ-CD2 3.84Å; F275-L320 HydrophobicContact CZ-CG 4.05Å; A292-L320 HydrophobicContact CB-CD1 3.88Å; A292-L320 HydrophobicContact CB-CG 4.47Å; A292-L320 WeakPolarHBondContact CB-O 3.34Å; A292-L320 WeakPolarHBondContact O-CD1 3.36Å; K295-L320 HydrophobicContact CB-CD1 4Å; K295-L320 HydrophobicContact CD-CD1 4.43Å; L296-L320 HydrophobicContact CD1-CD1 4.41Å; L296-L320 HydrophobicContact CD1-CD2 4.3Å; L296-L320 HydrophobicContact CD2-CD1 4.25Å; L296-L320 HydrophobicContact CD2-CD2 3.67Å; L296-L320 HydrophobicContact CG-CD1 3.81Å; L296-L320 HydrophobicContact CG-CD2 3.99Å; V317-L320 HydrophobicContact CB-CB 4.36Å; V317-L320 HydrophobicContact CG1-CB 4.01Å; V317-L320 HydrophobicContact CG1-CD1 4.02Å; E318-L320 VanDerWaalsContact C-N 3.28Å; E318-L320 PolarHBondContact O-N 3.48Å; L320-E324 PolarHBondContact N-O 3.03Å; L320-L326 HydrophobicContact CD2-CB 3.91Å; L320-L326 HydrophobicContact CD2-CD2 4.1Å
321F97.1Very high97.3Very high25 Ų2561 Ų6111%0.1132%0.316CS..EExtended strand (participates in β ladder)trans-147.1129.1-179.6-172.6-101.1000110.3F275 L281 L285 V286 A292 G323 E324F275-F321 HydrophobicContact CE1-CB 3.89Å; F275-F321 HydrophobicContact CZ-CB 4.08Å; L281-F321 HydrophobicContact CD1-CD1 4.12Å; L285-F321 HydrophobicContact CB-CZ 4.28Å; V286-F321 HydrophobicContact CG1-CD2 4.5Å; V286-F321 HydrophobicContact CG1-CG 4.47Å; V286-F321 HydrophobicContact CG2-CD1 3.87Å; V286-F321 HydrophobicContact CG2-CD2 4.45Å; V286-F321 HydrophobicContact CG2-CE1 4.08Å; V286-F321 HydrophobicContact CG2-CG 4.05Å; V286-F321 HydrophobicContact CG2-CZ 4.49Å; A292-F321 HydrophobicContact CB-CB 4.47Å; A292-F321 HydrophobicContact CB-CD2 4.29Å; F321-G323 VanDerWaalsContact C-N 3.27Å; F321-G323 PolarHBondContact O-N 3.27Å; F321-E324 WeakPolarHBondContact O-CB 3.47Å; F321-E324 PolarHBondContact O-N 3.43Å
322N94.3Very high97.3Very high129 Ų12959.9 Ų59.969%0.6930%0.299SS*.THydrogen-bonded Turntrans49.439.3178.2-65.1-5.7000115.5E324N322-E324 PolarHBondContact O-N 3.18Å
323G95.2Very high97.3Very high50 Ų5058.5 Ų58.552%0.51530%0.303SS..THydrogen-bonded Turntrans81.9-5.9-179.200000114.7N319 F321N319-G323 VanDerWaalsContact OD1-CA 3.28Å; N319-G323 WeakPolarHBondContact OD1-CA 3.48Å; N319-G323 PolarHBondContact OD1-N 2.87Å; N319-G323 VanDerWaalsContact OD1-N 3.09Å; F321-G323 VanDerWaalsContact C-N 3.27Å; F321-G323 PolarHBondContact O-N 3.27Å
324E97.2Very high97.3Very high77 Ų7760.9 Ų60.936%0.3631%0.313SS..EExtended strand (participates in β ladder)trans-84132-179.9-65.2-66.1166.600112.1F275 K279 L320 F321 N322F275-E324 HydrophobicContact CE2-CB 4.07Å; F275-E324 HydrophobicContact CZ-CB 3.89Å; K279-E324 HydrophobicContact CD-CB 4.34Å; K279-E324 HydrophobicContact CD-CG 4.42Å; K279-E324 WeakPolarHBondContact CD-OE2 3.33Å; K279-E324 VanDerWaalsContact CE-OE2 3.31Å; K279-E324 WeakPolarHBondContact CE-OE2 3.27Å; K279-E324 HydrophobicContact CG-CB 4.33Å; K279-E324 IonicContact NZ-OE2 3.3Å; K279-E324 PolarHBondContact NZ-OE2 3.07Å; L320-E324 PolarHBondContact N-O 3.03Å; F321-E324 WeakPolarHBondContact O-CB 3.47Å; F321-E324 PolarHBondContact O-N 3.43Å; N322-E324 PolarHBondContact O-N 3.18Å
325D97.7Very high97.3Very high82 Ų8256 Ų5644%0.43929%0.292SS..EExtended strand (participates in β ladder)trans-89.4145.7175.6-58.9-28.1000111.8K279 V317 E318 N319K279-D325 WeakPolarHBondContact CE-O 3.45Å; K279-D325 PolarHBondContact NZ-O 3.45Å; V317-D325 WeakPolarHBondContact O-CA 3.26Å; E318-D325 WeakPolarHBondContact CA-OD1 3.36Å; N319-D325 PolarHBondContact N-OD1 2.82Å
326L98.1Very high97.3Very high5 Ų558.3 Ų58.33%0.02630%0.303CS..EExtended strand (participates in β ladder)trans-95.7129167.9175.661000109.7L271 F275 L296 Q316 V317 L320 V328L271-L326 HydrophobicContact CB-CD2 4.31Å; L271-L326 HydrophobicContact CD2-CD2 4.18Å; F275-L326 HydrophobicContact CB-CD1 3.85Å; F275-L326 HydrophobicContact CD2-CB 3.96Å; F275-L326 HydrophobicContact CD2-CD1 3.92Å; F275-L326 HydrophobicContact CD2-CG 4.49Å; F275-L326 HydrophobicContact CE2-CB 4.38Å; F275-L326 HydrophobicContact CG-CD1 4.31Å; L296-L326 HydrophobicContact CD2-CD2 3.58Å; Q316-L326 CarbonylContact C-O 3.33Å; Q316-L326 VanDerWaalsContact CA-O 3.26Å; Q316-L326 WeakPolarHBondContact CA-O 3.41Å; V317-L326 HydrophobicContact CB-CB 4.12Å; V317-L326 HydrophobicContact CG2-CD2 4.24Å; V317-L326 PolarHBondContact N-O 2.76Å; V317-L326 PolarHBondContact O-N 2.95Å; L320-L326 HydrophobicContact CD2-CB 3.91Å; L320-L326 HydrophobicContact CD2-CD2 4.1Å; L326-V328 HydrophobicContact CD1-CB 4.17Å; L326-V328 HydrophobicContact CD1-CG2 3.48Å; L326-V328 VanDerWaalsContact CD1-CG2 3.48Å
327K97.7Very high97.3Very high139 Ų13958.2 Ų58.260%0.60431%0.31SS*.EExtended strand (participates in β ladder)trans-144.8108.1165.5-178.9167.9-176.31760109.7F314 A315 Q316F314-K327 HydrophobicContact CD1-CG 4.27Å; A315-K327 VanDerWaalsContact O-CA 3.32Å; A315-K327 WeakPolarHBondContact O-CA 3.33Å; Q316-K327 HydrophobicContact CG-CB 4.4Å; Q316-K327 HydrophobicContact CG-CD 4.5Å; Q316-K327 HydrophobicContact CG-CG 4.04Å
328V97.4Very high97.2Very high9 Ų959.9 Ų59.96%0.05532%0.316CS..EExtended strand (participates in β ladder)trans-137.3134.3-172.7165.20000110.3K274 I278 F314 A315 L326 I330K274-V328 HydrophobicContact CB-CG1 4.17Å; K274-V328 HydrophobicContact CB-CG2 4.01Å; K274-V328 HydrophobicContact CD-CG1 3.34Å; K274-V328 HydrophobicContact CG-CG1 4.37Å; I278-V328 HydrophobicContact CD1-CG2 3.49Å; I278-V328 VanDerWaalsContact CD1-CG2 3.49Å; F314-V328 CarbonylContact C-O 3.44Å; F314-V328 WeakPolarHBondContact CA-O 3.36Å; A315-V328 PolarHBondContact N-O 3.28Å; A315-V328 PolarHBondContact O-N 3.42Å; L326-V328 HydrophobicContact CD1-CB 4.17Å; L326-V328 HydrophobicContact CD1-CG2 3.48Å; L326-V328 VanDerWaalsContact CD1-CG2 3.48Å; V328-I330 HydrophobicContact CG1-CG1 4.02Å
329K97.9Very high97.3Very high89 Ų8952.4 Ų52.439%0.38728%0.281SS..EExtended strand (participates in β ladder)trans-77.2132.7170.2-174.3171.9171.6166.50109.9K274 E312 I313 F314K274-K329 PolarHBondContact NZ-O 2.98Å; E312-K329 VanDerWaalsContact OE1-CE 3.3Å; E312-K329 WeakPolarHBondContact OE1-CE 3.48Å; E312-K329 IonicContact OE1-NZ 3.62Å; E312-K329 PolarHBondContact OE1-NZ 3.32Å; E312-K329 WeakPolarHBondContact OE2-CE 3.37Å; E312-K329 IonicContact OE2-NZ 3.82Å; E312-K329 PolarHBondContact OE2-NZ 3.04Å; I313-K329 WeakPolarHBondContact O-CA 3.47Å; F314-K329 HydrophobicContact CD1-CB 4.07Å; F314-K329 HydrophobicContact CE1-CB 3.77Å; F314-K329 HydrophobicContact CE1-CG 4.46Å; F314-K329 HydrophobicContact CZ-CB 4.17Å; F314-K329 HydrophobicContact CZ-CD 4.24Å; F314-K329 HydrophobicContact CZ-CG 4.4Å
330I98Very high97.4Very high0 Ų052.3 Ų52.30%029%0.285CS..EExtended strand (participates in β ladder)trans-131.4134172.5-58.7-173000108.9L271 V303 L307 E312 I313 A315 V328 E334L271-I330 HydrophobicContact CD2-CD1 3.36Å; L271-I330 HydrophobicContact CD2-CG1 4.43Å; L271-I330 HydrophobicContact CG-CD1 3.99Å; V303-I330 HydrophobicContact CG1-CD1 4.38Å; V303-I330 HydrophobicContact CG1-CG2 4.45Å; L307-I330 HydrophobicContact CD1-CG2 3.88Å; E312-I330 WeakPolarHBondContact CA-O 3.42Å; I313-I330 HydrophobicContact CD1-CB 4.2Å; I313-I330 PolarHBondContact N-O 2.84Å; I313-I330 PolarHBondContact O-N 3.08Å; A315-I330 HydrophobicContact CB-CD1 4.36Å; V328-I330 HydrophobicContact CG1-CG1 4.02Å; I330-E334 WeakPolarHBondContact CA-OE2 3.32Å
331T98.4Very high97.3Very high32 Ų3255.6 Ų55.620%0.19630%0.303CS..EExtended strand (participates in β ladder)trans-103.3155.5175.267.40000111.2S311 E312 A333 E334 M335S311-T331 CarbonylContact O-C 3.52Å; S311-T331 WeakPolarHBondContact O-CA 3.5Å; E312-T331 HydrophobicContact CB-CG2 4.07Å; T331-A333 VanDerWaalsContact C-N 3.27Å; T331-A333 PolarHBondContact O-N 3.41Å; T331-E334 PolarHBondContact N-OE2 3.27Å; T331-E334 PolarHBondContact O-N 3.2Å; T331-E334 WeakPolarHBondContact OG1-CB 3Å; T331-E334 WeakPolarHBondContact OG1-CG 3.36Å; T331-E334 PolarHBondContact OG1-N 3.3Å; T331-E334 VanDerWaalsContact OG1-N 3.1Å; T331-E334 PolarHBondContact OG1-OE2 3.35Å; T331-M335 PolarHBondContact O-N 3.07Å; T331-M335 VanDerWaalsContact O-N 3.14Å
332R98.3Very high97.4Very high58 Ų5854.5 Ų54.522%0.21930%0.298CS..Hα-helixtrans-59.9-40.9172.6-175.4-171.2-62165.3-2.1110.7L307 A309 N310 S311 E334 M335 E336L307-R332 HydrophobicContact CD2-CB 4.33Å; L307-R332 VanDerWaalsContact O-CZ 3.29Å; L307-R332 PolarHBondContact O-NE 3.33Å; L307-R332 PolarHBondContact O-NH2 3.16Å; A309-R332 VanDerWaalsContact C-NH2 3.31Å; A309-R332 PolarHBondContact O-NH2 2.99Å; N310-R332 PolarHBondContact O-NE 2.62Å; N310-R332 PolarHBondContact O-NH2 2.94Å; S311-R332 PolarHBondContact O-N 3.41Å; R332-E334 PolarHBondContact O-N 2.9Å; R332-M335 PolarHBondContact O-N 3.25Å; R332-E336 WeakPolarHBondContact CD-OE1 3.34Å; R332-E336 HydrophobicContact CG-CG 4.29Å; R332-E336 WeakPolarHBondContact CG-OE1 3.39Å; R332-E336 WeakPolarHBondContact O-CB 3.2Å; R332-E336 WeakPolarHBondContact O-CG 3.49Å; R332-E336 PolarHBondContact O-N 2.9Å
333A98Very high97.5Very high60 Ų6048.6 Ų48.650%0.49627%0.266SS..Hα-helixtrans-62.8-40.917900000112.6T331 E336 T337T331-A333 VanDerWaalsContact C-N 3.27Å; T331-A333 PolarHBondContact O-N 3.41Å; A333-E336 PolarHBondContact O-N 2.91Å; A333-T337 WeakPolarHBondContact O-CB 2.98Å; A333-T337 PolarHBondContact O-N 2.76Å; A333-T337 PolarHBondContact O-OG1 3.45Å
334E97.5Very high97.5Very high70 Ų7051.6 Ų51.633%0.32727%0.267SS..Hα-helixtrans-60.3-48.4172.2-76.3167.5128.500110.9K274 I330 T331 R332 E336 T337 F338K274-E334 IonicContact NZ-OE1 3.24Å; K274-E334 PolarHBondContact NZ-OE1 3.42Å; K274-E334 VanDerWaalsContact NZ-OE1 3.15Å; I330-E334 WeakPolarHBondContact CA-OE2 3.32Å; T331-E334 PolarHBondContact N-OE2 3.27Å; T331-E334 PolarHBondContact O-N 3.2Å; T331-E334 WeakPolarHBondContact OG1-CB 3Å; T331-E334 WeakPolarHBondContact OG1-CG 3.36Å; T331-E334 PolarHBondContact OG1-N 3.3Å; T331-E334 VanDerWaalsContact OG1-N 3.1Å; T331-E334 PolarHBondContact OG1-OE2 3.35Å; R332-E334 PolarHBondContact O-N 2.9Å; E334-E336 VanDerWaalsContact C-N 3.35Å; E334-E336 PolarHBondContact O-N 2.69Å; E334-T337 WeakPolarHBondContact O-CB 3.38Å; E334-T337 PolarHBondContact O-N 3.01Å; E334-T337 VanDerWaalsContact O-N 3.13Å; E334-F338 WeakPolarHBondContact O-CD1 3.4Å; E334-F338 PolarHBondContact O-N 3.23Å; E334-F338 VanDerWaalsContact O-N 3.08Å
335M98Very high97.4Very high2 Ų251.2 Ų51.21%0.0126%0.262CS..Hα-helixtrans-59.7-43.9178.3-174.2-118.1-63.300112.6I267 L304 L307 T331 R332 T337 F338 C339I267-M335 HydrophobicContact CD1-CG 4.04Å; I267-M335 HydrophobicContact CD1-SD 4.49Å; I267-M335 HydrophobicContact CG1-CG 4.05Å; L304-M335 HydrophobicContact CD1-CE 4.03Å; L304-M335 HydrophobicContact CD1-SD 4.07Å; L307-M335 HydrophobicContact CB-CE 3.45Å; L307-M335 VanDerWaalsContact CB-CE 3.45Å; L307-M335 HydrophobicContact CD1-CB 4.15Å; L307-M335 HydrophobicContact CD1-CE 3.51Å; L307-M335 HydrophobicContact CG-CE 4.13Å; T331-M335 PolarHBondContact O-N 3.07Å; T331-M335 VanDerWaalsContact O-N 3.14Å; R332-M335 PolarHBondContact O-N 3.25Å; M335-T337 VanDerWaalsContact C-N 3.26Å; M335-T337 PolarHBondContact O-N 3.44Å; M335-F338 VanDerWaalsContact CA-CZ 3.46Å; M335-F338 HydrophobicContact CB-CE1 4.18Å; M335-F338 HydrophobicContact CB-CE2 4.46Å; M335-F338 HydrophobicContact CB-CZ 3.88Å; M335-F338 HydrophobicContact CG-CE2 4.08Å; M335-F338 HydrophobicContact CG-CZ 3.87Å; M335-C339 VanDerWaalsContact O-CB 3.27Å; M335-C339 WeakPolarHBondContact O-CB 3.43Å; M335-C339 PolarHBondContact O-N 3.08Å; M335-C339 PolarHBondContact O-SG 3.06Å; M335-C339 VanDerWaalsContact O-SG 3.35Å
336E97.7Very high97.4Very high50 Ų5047.3 Ų47.323%0.23424%0.241CC..Hα-helixtrans-62.3-36.1176.7-75175-174.400112.1R332 A333 E334 S340 F343 K376R332-E336 WeakPolarHBondContact CD-OE1 3.34Å; R332-E336 HydrophobicContact CG-CG 4.29Å; R332-E336 WeakPolarHBondContact CG-OE1 3.39Å; R332-E336 WeakPolarHBondContact O-CB 3.2Å; R332-E336 WeakPolarHBondContact O-CG 3.49Å; R332-E336 PolarHBondContact O-N 2.9Å; A333-E336 PolarHBondContact O-N 2.91Å; E334-E336 VanDerWaalsContact C-N 3.35Å; E334-E336 PolarHBondContact O-N 2.69Å; E336-S340 PolarHBondContact O-N 3.39Å; E336-S340 VanDerWaalsContact O-N 3.16Å; E336-F343 HydrophobicContact CB-CE2 4.16Å; E336-F343 HydrophobicContact CB-CZ 4.48Å; E336-F343 HydrophobicContact CG-CE2 4.18Å; E336-F343 HydrophobicContact CG-CZ 4Å; E336-F343 WeakPolarHBondContact O-CE2 3.27Å; E336-K376 HydrophobicContact CG-CB 4.17Å
337T97.6Very high97.3Very high102 Ų10249.5 Ų49.563%0.62625%0.25SC*.Hα-helixtrans-68-51.9179.5-58.30000111.5A333 E334 M335 C339 S340A333-T337 WeakPolarHBondContact O-CB 2.98Å; A333-T337 PolarHBondContact O-N 2.76Å; A333-T337 PolarHBondContact O-OG1 3.45Å; E334-T337 WeakPolarHBondContact O-CB 3.38Å; E334-T337 PolarHBondContact O-N 3.01Å; E334-T337 VanDerWaalsContact O-N 3.13Å; M335-T337 VanDerWaalsContact C-N 3.26Å; M335-T337 PolarHBondContact O-N 3.44Å; T337-C339 VanDerWaalsContact C-N 3.27Å; T337-C339 PolarHBondContact O-N 3.41Å; T337-S340 WeakPolarHBondContact O-CB 3.49Å; T337-S340 PolarHBondContact O-N 2.88Å; T337-S340 PolarHBondContact O-OG 3.04Å
338F96.7Very high97.1Very high51 Ų5149.5 Ų49.522%0.22425%0.246CC..Hα-helixtrans-78.5-8.2-178.367.3-116.7000114.2R266 I267 H270 E334 M335R266-F338 HydrophobicContact CB-CD2 4.37Å; R266-F338 HydrophobicContact CB-CE2 4.25Å; R266-F338 PolarHBondContact NH1-O 2.9Å; I267-F338 HydrophobicContact CG1-CE2 4.03Å; I267-F338 HydrophobicContact CG1-CZ 3.98Å; H270-F338 HydrophobicContact CB-CE1 4.26Å; H270-F338 HydrophobicContact CB-CZ 4.22Å; H270-F338 AromaticContact CD2-CE1 3.78Å; H270-F338 AromaticContact CG-CE1 3.82Å; E334-F338 WeakPolarHBondContact O-CD1 3.4Å; E334-F338 PolarHBondContact O-N 3.23Å; E334-F338 VanDerWaalsContact O-N 3.08Å; M335-F338 VanDerWaalsContact CA-CZ 3.46Å; M335-F338 HydrophobicContact CB-CE1 4.18Å; M335-F338 HydrophobicContact CB-CE2 4.46Å; M335-F338 HydrophobicContact CB-CZ 3.88Å; M335-F338 HydrophobicContact CG-CE2 4.08Å; M335-F338 HydrophobicContact CG-CZ 3.87Å
339C97.6Very high97.1Very high0 Ų049.1 Ų49.10%024%0.243CC..THydrogen-bonded Turntrans-107.515.8170.6-60.50000112.8F263 M335 T337 D341 L342 F343F263-C339 HydrophobicContact CD1-CB 3.94Å; F263-C339 HydrophobicContact CE1-CB 3.96Å; M335-C339 VanDerWaalsContact O-CB 3.27Å; M335-C339 WeakPolarHBondContact O-CB 3.43Å; M335-C339 PolarHBondContact O-N 3.08Å; M335-C339 PolarHBondContact O-SG 3.06Å; M335-C339 VanDerWaalsContact O-SG 3.35Å; T337-C339 VanDerWaalsContact C-N 3.27Å; T337-C339 PolarHBondContact O-N 3.41Å; C339-D341 PolarHBondContact O-N 2.98Å; C339-L342 HydrophobicContact CB-CB 4.43Å; C339-L342 HydrophobicContact CB-CD1 4.11Å; C339-L342 HydrophobicContact CB-CG 4.44Å; C339-L342 WeakPolarHBondContact O-CB 3.4Å; C339-L342 PolarHBondContact O-N 3.05Å; C339-F343 HydrophobicContact CB-CD2 4.42Å; C339-F343 HydrophobicContact CB-CE2 3.73Å; C339-F343 HydrophobicContact CB-CZ 4.32Å; C339-F343 WeakPolarHBondContact O-CD2 3.47Å; C339-F343 WeakPolarHBondContact O-CE2 3.19Å; C339-F343 PolarHBondContact O-N 3.01Å
340S97Very high97Very high68 Ų6845 Ų4548%0.47623%0.226SC..Hα-helixtrans-51.6-41.6-176.346.10000113.3E336 T337 L342 F343E336-S340 PolarHBondContact O-N 3.39Å; E336-S340 VanDerWaalsContact O-N 3.16Å; T337-S340 WeakPolarHBondContact O-CB 3.49Å; T337-S340 PolarHBondContact O-N 2.88Å; T337-S340 PolarHBondContact O-OG 3.04Å; S340-L342 VanDerWaalsContact C-N 3.3Å; S340-L342 PolarHBondContact O-N 3.14Å; S340-F343 PolarHBondContact O-N 3.41Å
341D96.7Very high96.9Very high70 Ų7047.3 Ų47.337%0.37424%0.242SC..Hα-helixtrans-62.9-32.8176.664.4-56.9000113.5R266 C339R266-D341 IonicContact CZ-OD1 3.71Å; R266-D341 IonicContact CZ-OD2 2.76Å; R266-D341 IonicContact NH1-OD1 3.51Å; R266-D341 PolarHBondContact NH1-OD1 2.83Å; R266-D341 IonicContact NH1-OD2 3.59Å; R266-D341 PolarHBondContact NH1-OD2 2.72Å; R266-D341 IonicContact NH2-OD1 3.64Å; R266-D341 IonicContact NH2-OD2 2.8Å; R266-D341 PolarHBondContact NH2-OD2 3.43Å; C339-D341 PolarHBondContact O-N 2.98Å
342L97.2Very high96.8Very high1 Ų148.6 Ų48.61%0.00525%0.247CC..Hα-helixtrans-73.2-33.7178.9-58.1-176.3000111.9F258 V262 F263 R266 C339 S340 E344 R345F258-L342 HydrophobicContact CE2-CB 4.1Å; F258-L342 VanDerWaalsContact CE2-O 3.27Å; F258-L342 WeakPolarHBondContact CE2-O 3.38Å; F258-L342 VanDerWaalsContact CZ-O 3.31Å; F258-L342 WeakPolarHBondContact CZ-O 3.16Å; V262-L342 HydrophobicContact CB-CD1 4.37Å; V262-L342 HydrophobicContact CG1-CD1 3.85Å; V262-L342 HydrophobicContact CG1-CD2 4.08Å; V262-L342 HydrophobicContact CG2-CD1 3.92Å; V262-L342 HydrophobicContact CG2-CD2 3.72Å; F263-L342 HydrophobicContact CD1-CD1 3.84Å; F263-L342 HydrophobicContact CD2-CD1 4.42Å; F263-L342 HydrophobicContact CE1-CB 3.8Å; F263-L342 HydrophobicContact CE1-CD1 3.93Å; F263-L342 HydrophobicContact CE2-CB 4.49Å; F263-L342 HydrophobicContact CG-CD1 4.1Å; F263-L342 HydrophobicContact CZ-CB 3.77Å; F263-L342 HydrophobicContact CZ-CD1 4.27Å; R266-L342 HydrophobicContact CG-CD1 4.11Å; C339-L342 HydrophobicContact CB-CB 4.43Å; C339-L342 HydrophobicContact CB-CD1 4.11Å; C339-L342 HydrophobicContact CB-CG 4.44Å; C339-L342 WeakPolarHBondContact O-CB 3.4Å; C339-L342 PolarHBondContact O-N 3.05Å; S340-L342 VanDerWaalsContact C-N 3.3Å; S340-L342 PolarHBondContact O-N 3.14Å; L342-E344 VanDerWaalsContact C-N 3.29Å; L342-E344 PolarHBondContact O-N 3.33Å; L342-R345 WeakPolarHBondContact O-CB 3.39Å; L342-R345 PolarHBondContact O-N 2.94Å
343F97.1Very high96.7Very high5 Ų545.9 Ų45.92%0.02224%0.237CC..Hα-helixtrans-68.2-30.1177.3-65.1-66.4000112.6F263 E336 C339 S340 R345 V346 I374 K376 I377 I380F263-F343 HydrophobicContact CE1-CD1 4.43Å; F263-F343 AromaticContact CE1-CE1 3.85Å; F263-F343 HydrophobicContact CE1-CE1 3.85Å; F263-F343 HydrophobicContact CE1-CE2 4.32Å; F263-F343 AromaticContact CE1-CZ 3.79Å; F263-F343 HydrophobicContact CE1-CZ 3.79Å; F263-F343 HydrophobicContact CZ-CE1 4.24Å; E336-F343 HydrophobicContact CB-CE2 4.16Å; E336-F343 HydrophobicContact CB-CZ 4.48Å; E336-F343 HydrophobicContact CG-CE2 4.18Å; E336-F343 HydrophobicContact CG-CZ 4Å; E336-F343 WeakPolarHBondContact O-CE2 3.27Å; C339-F343 HydrophobicContact CB-CD2 4.42Å; C339-F343 HydrophobicContact CB-CE2 3.73Å; C339-F343 HydrophobicContact CB-CZ 4.32Å; C339-F343 WeakPolarHBondContact O-CD2 3.47Å; C339-F343 WeakPolarHBondContact O-CE2 3.19Å; C339-F343 PolarHBondContact O-N 3.01Å; S340-F343 PolarHBondContact O-N 3.41Å; F343-R345 VanDerWaalsContact C-N 3.25Å; F343-R345 PolarHBondContact O-N 3.14Å; F343-V346 WeakPolarHBondContact O-CB 3.39Å; F343-V346 WeakPolarHBondContact O-CG2 3.28Å; F343-V346 PolarHBondContact O-N 2.97Å; F343-I374 HydrophobicContact CE1-CG2 3.99Å; F343-I374 HydrophobicContact CZ-CG2 4.47Å; F343-K376 HydrophobicContact CD1-CB 3.95Å; F343-K376 HydrophobicContact CD1-CG 3.6Å; F343-K376 HydrophobicContact CD2-CG 4.24Å; F343-K376 HydrophobicContact CE1-CB 3.67Å; F343-K376 HydrophobicContact CE1-CG 3.79Å; F343-K376 HydrophobicContact CE2-CG 4.43Å; F343-K376 HydrophobicContact CG-CG 3.85Å; F343-K376 HydrophobicContact CZ-CB 4.14Å; F343-K376 HydrophobicContact CZ-CG 4.2Å; F343-I377 HydrophobicContact CD1-CG1 3.95Å; F343-I377 HydrophobicContact CE1-CG1 3.98Å; F343-I380 HydrophobicContact CB-CD1 3.75Å; F343-I380 HydrophobicContact CD1-CD1 4.45Å; F343-I380 HydrophobicContact CG-CD1 4.46Å
344E94.9Very high96.6Very high114 Ų11443.9 Ų43.953%0.53322%0.218SC..Hα-helixtrans-63-33.3174-66.6-54122.700112.4L342 V346 R347L342-E344 VanDerWaalsContact C-N 3.29Å; L342-E344 PolarHBondContact O-N 3.33Å; E344-V346 PolarHBondContact O-N 2.71Å; E344-R347 PolarHBondContact O-N 2.93Å; E344-R347 IonicContact OE1-CZ 3.72Å; E344-R347 IonicContact OE1-NH1 2.73Å; E344-R347 PolarHBondContact OE1-NH1 3.36Å; E344-R347 IonicContact OE1-NH2 3.96Å; E344-R347 IonicContact OE2-CZ 3.68Å; E344-R347 IonicContact OE2-NH1 2.75Å; E344-R347 PolarHBondContact OE2-NH1 3.06Å
345R96.1Very high96.5Very high68 Ų6844.7 Ų44.726%0.25723%0.227SC..Hα-helixtrans-66.6-21.1178.7-63.3172.365.6176.47.1113.7D255 T257 F258 L342 F343 R347 P349D255-R345 IonicContact OD1-NH2 3.98Å; D255-R345 PolarHBondContact OD1-NH2 3.28Å; D255-R345 IonicContact OD2-CZ 2.76Å; D255-R345 VanDerWaalsContact OD2-CZ 3.3Å; D255-R345 IonicContact OD2-NE 2.76Å; D255-R345 PolarHBondContact OD2-NE 3.35Å; D255-R345 IonicContact OD2-NH2 3.79Å; D255-R345 PolarHBondContact OD2-NH2 2.79Å; T257-R345 PolarHBondContact O-NH2 3.15Å; T257-R345 PolarHBondContact OG1-NH2 2.94Å; F258-R345 HydrophobicContact CD1-CB 4.23Å; F258-R345 HydrophobicContact CD2-CB 4.21Å; F258-R345 HydrophobicContact CE1-CB 4.36Å; F258-R345 HydrophobicContact CE2-CB 4.32Å; F258-R345 HydrophobicContact CG-CB 4.19Å; F258-R345 HydrophobicContact CZ-CB 4.41Å; L342-R345 WeakPolarHBondContact O-CB 3.39Å; L342-R345 PolarHBondContact O-N 2.94Å; F343-R345 VanDerWaalsContact C-N 3.25Å; F343-R345 PolarHBondContact O-N 3.14Å; R345-R347 PolarHBondContact O-N 2.84Å; R345-P349 VanDerWaalsContact O-CD 3.28Å; R345-P349 WeakPolarHBondContact O-CD 3.15Å
346V96.8Very high96.2Very high0 Ų052.4 Ų52.40%027%0.269CS..THydrogen-bonded Turntrans-59.8-34.6178.41780000111.7F216 F258 F343 E344 I377 I380 L381F216-V346 HydrophobicContact CE1-CG1 4.26Å; F216-V346 HydrophobicContact CZ-CG1 4.15Å; F216-V346 WeakPolarHBondContact CZ-O 3.36Å; F258-V346 HydrophobicContact CE1-CB 4.41Å; F258-V346 HydrophobicContact CE1-CG2 3.72Å; F258-V346 HydrophobicContact CZ-CG2 3.56Å; F343-V346 WeakPolarHBondContact O-CB 3.39Å; F343-V346 WeakPolarHBondContact O-CG2 3.28Å; F343-V346 PolarHBondContact O-N 2.97Å; E344-V346 PolarHBondContact O-N 2.71Å; V346-I377 HydrophobicContact CG1-CG2 4Å; V346-I377 HydrophobicContact CG2-CD1 4.21Å; V346-I377 HydrophobicContact CG2-CG1 4.03Å; V346-I377 HydrophobicContact CG2-CG2 4.34Å; V346-I380 HydrophobicContact CB-CG2 4.28Å; V346-I380 HydrophobicContact CG1-CG2 4.03Å; V346-L381 HydrophobicContact CG1-CD2 4.19Å; V346-L381 HydrophobicContact CG1-CG 4.27Å
347R96.2Very high96.1Very high52 Ų5251.6 Ų51.620%0.19626%0.264CS..Hα-helixtrans-68.2-42.2-172.6-67.7-179.6174.289.60.7112.7E344 R345 F350 S351 I380 H384E344-R347 PolarHBondContact O-N 2.93Å; E344-R347 IonicContact OE1-CZ 3.72Å; E344-R347 IonicContact OE1-NH1 2.73Å; E344-R347 PolarHBondContact OE1-NH1 3.36Å; E344-R347 IonicContact OE1-NH2 3.96Å; E344-R347 IonicContact OE2-CZ 3.68Å; E344-R347 IonicContact OE2-NH1 2.75Å; E344-R347 PolarHBondContact OE2-NH1 3.06Å; R345-R347 PolarHBondContact O-N 2.84Å; R347-F350 PolarHBondContact O-N 2.85Å; R347-F350 VanDerWaalsContact O-N 3.16Å; R347-S351 PolarHBondContact O-N 2.84Å; R347-S351 PolarHBondContact O-OG 3.24Å; R347-I380 HydrophobicContact CG-CG2 3.75Å; R347-H384 WeakPolarHBondContact CD-CE1 3.47Å
348R95.1Very high96Very high139 Ų13949.9 Ų49.953%0.52526%0.255SS..Hα-helixtrans-56.9-53.4-169.2173.2-176.6178.4-174.63.8113.4F350 S351 D352R348-F350 PolarHBondContact O-N 3.23Å; R348-S351 PolarHBondContact O-N 2.9Å; R348-S351 VanDerWaalsContact O-N 3.16Å; R348-D352 WeakPolarHBondContact CG-OD2 3.25Å; R348-D352 IonicContact NE-OD2 3.92Å; R348-D352 WeakPolarHBondContact O-CB 3.35Å; R348-D352 PolarHBondContact O-N 3.36Å
349P95.7Very high95.9Very high1 Ų149.1 Ų49.11%0.00625%0.252CS..Hα-helixtrans-57.3-36.9180-27.336.4000113.2F216 T223 A225 R345 I353F216-P349 HydrophobicContact CE2-CB 4.21Å; F216-P349 HydrophobicContact CZ-CB 4.45Å; T223-P349 HydrophobicContact CG2-CB 4.3Å; T223-P349 HydrophobicContact CG2-CG 3.94Å; A225-P349 HydrophobicContact CB-CB 3.77Å; A225-P349 VanDerWaalsContact CB-O 3.27Å; A225-P349 WeakPolarHBondContact CB-O 3.48Å; R345-P349 VanDerWaalsContact O-CD 3.28Å; R345-P349 WeakPolarHBondContact O-CD 3.15Å; P349-I353 PolarHBondContact O-N 3.18Å
350F96.7Very high95.8Very high3 Ų356.4 Ų56.41%0.01329%0.286CS..Hα-helixtrans-68.6-48.4177-171.2-90.3000111.5V214 F216 R347 R348 D352 I353 M354 M359 L362 V365 L381 H384V214-F350 HydrophobicContact CB-CE2 4.36Å; V214-F350 HydrophobicContact CG1-CD2 4.09Å; V214-F350 HydrophobicContact CG1-CE2 3.95Å; V214-F350 HydrophobicContact CG2-CE2 4.26Å; F216-F350 HydrophobicContact CD2-CB 4.31Å; F216-F350 HydrophobicContact CD2-CD2 4.15Å; F216-F350 HydrophobicContact CE2-CB 3.8Å; F216-F350 HydrophobicContact CE2-CD2 4.47Å; R347-F350 PolarHBondContact O-N 2.85Å; R347-F350 VanDerWaalsContact O-N 3.16Å; R348-F350 PolarHBondContact O-N 3.23Å; F350-D352 VanDerWaalsContact C-N 3.34Å; F350-D352 PolarHBondContact O-N 3.11Å; F350-I353 WeakPolarHBondContact O-CG1 3.24Å; F350-I353 PolarHBondContact O-N 3.27Å; F350-M354 HydrophobicContact CD1-CG 4.13Å; F350-M354 HydrophobicContact CE1-CG 3.8Å; F350-M354 HydrophobicContact CZ-CG 4.07Å; F350-M354 VanDerWaalsContact O-CG 3.25Å; F350-M354 WeakPolarHBondContact O-CG 3.02Å; F350-M354 PolarHBondContact O-N 3.24Å; F350-M359 HydrophobicContact CE1-CE 3.94Å; F350-M359 HydrophobicContact CE1-SD 4.35Å; F350-M359 HydrophobicContact CZ-CE 4.47Å; F350-M359 HydrophobicContact CZ-SD 4.31Å; F350-L362 HydrophobicContact CZ-CD2 4.22Å; F350-V365 HydrophobicContact CE2-CG2 3.9Å; F350-V365 HydrophobicContact CZ-CG2 4.38Å; F350-L381 HydrophobicContact CD2-CD2 4.44Å; F350-H384 HydrophobicContact CD1-CB 4.23Å; F350-H384 HydrophobicContact CE1-CB 4.48Å
351S96.4Very high95.8Very high48 Ų4855.5 Ų55.534%0.33628%0.28SS..Hα-helixtrans-60.3-43.5179.4-59.20000112.1R347 R348 I353 M354 V355R347-S351 PolarHBondContact O-N 2.84Å; R347-S351 PolarHBondContact O-OG 3.24Å; R348-S351 PolarHBondContact O-N 2.9Å; R348-S351 VanDerWaalsContact O-N 3.16Å; S351-I353 VanDerWaalsContact C-N 3.31Å; S351-I353 PolarHBondContact O-N 3.22Å; S351-M354 PolarHBondContact O-N 3.03Å; S351-M354 VanDerWaalsContact O-N 3.12Å; S351-V355 WeakPolarHBondContact O-CG2 3.28Å; S351-V355 PolarHBondContact O-N 3.36Å
352D95Very high95.8Very high59 Ų5952.3 Ų52.332%0.31626%0.263SS..Hα-helixtrans-61.8-35.3-177.2-70.1-10000112.9S253 R348 F350S253-D352 VanDerWaalsContact CB-CB 3.42Å; S253-D352 WeakPolarHBondContact OG-CB 3.42Å; S253-D352 PolarHBondContact OG-OD2 3.34Å; R348-D352 WeakPolarHBondContact CG-OD2 3.25Å; R348-D352 IonicContact NE-OD2 3.92Å; R348-D352 WeakPolarHBondContact O-CB 3.35Å; R348-D352 PolarHBondContact O-N 3.36Å; F350-D352 VanDerWaalsContact C-N 3.34Å; F350-D352 PolarHBondContact O-N 3.11Å
353I96.8Very high95.8Very high1 Ų155.7 Ų55.71%0.00528%0.279CS..Hα-helixtrans-80.4-20.5177.863.5167.1000113.5V214 A225 L227 N251 P349 F350 S351V214-I353 HydrophobicContact CB-CD1 4.45Å; V214-I353 HydrophobicContact CG1-CD1 3.84Å; V214-I353 HydrophobicContact CG2-CD1 3.78Å; A225-I353 HydrophobicContact CB-CD1 3.67Å; A225-I353 HydrophobicContact CB-CG1 4.19Å; A225-I353 HydrophobicContact CB-CG2 4.28Å; A225-I353 WeakPolarHBondContact O-CG2 3.33Å; L227-I353 HydrophobicContact CB-CB 4.44Å; L227-I353 HydrophobicContact CB-CD1 4.22Å; N251-I353 HydrophobicContact CB-CB 4.27Å; N251-I353 HydrophobicContact CB-CG2 4.43Å; N251-I353 PolarHBondContact ND2-O 3.3Å; P349-I353 PolarHBondContact O-N 3.18Å; F350-I353 WeakPolarHBondContact O-CG1 3.24Å; F350-I353 PolarHBondContact O-N 3.27Å; S351-I353 VanDerWaalsContact C-N 3.31Å; S351-I353 PolarHBondContact O-N 3.22Å
354M96.8Very high95.7Very high18 Ų1858 Ų589%0.08929%0.29CS..Hα-helixtrans-95.30-177.4-64.2-58.8-69.900113V214 F350 S351 D356 F357 M359 L362V214-M354 HydrophobicContact CG2-SD 4.11Å; F350-M354 HydrophobicContact CD1-CG 4.13Å; F350-M354 HydrophobicContact CE1-CG 3.8Å; F350-M354 HydrophobicContact CZ-CG 4.07Å; F350-M354 VanDerWaalsContact O-CG 3.25Å; F350-M354 WeakPolarHBondContact O-CG 3.02Å; F350-M354 PolarHBondContact O-N 3.24Å; S351-M354 PolarHBondContact O-N 3.03Å; S351-M354 VanDerWaalsContact O-N 3.12Å; M354-D356 PolarHBondContact O-N 3.29Å; M354-F357 HydrophobicContact CE-CB 4.44Å; M354-F357 HydrophobicContact CE-CD1 3.39Å; M354-F357 HydrophobicContact CE-CE1 4.06Å; M354-F357 HydrophobicContact CE-CG 4.31Å; M354-F357 PolarHBondContact O-N 2.59Å; M354-F357 HydrophobicContact SD-CD1 4Å; M354-M359 HydrophobicContact CE-CE 3.81Å; M354-M359 HydrophobicContact CE-SD 3.62Å; M354-M359 HydrophobicContact CG-CE 4.49Å; M354-L362 HydrophobicContact CE-CB 4.44Å; M354-L362 HydrophobicContact CE-CD2 4.17Å
355V93.7Very high95.9Very high87 Ų8752.6 Ų52.653%0.52727%0.265SS..THydrogen-bonded Turntrans-54.3126.1172.5178.70000109S351 F357S351-V355 WeakPolarHBondContact O-CG2 3.28Å; S351-V355 PolarHBondContact O-N 3.36Å; V355-F357 PolarHBondContact O-N 2.68Å
356D91.9Very high95.9Very high164 Ų16449.4 Ų49.488%0.87725%0.253SS*.THydrogen-bonded Turntrans59.111.2-176.7-51.9-38.9000115.8M354M354-D356 PolarHBondContact O-N 3.29Å
357F96.3Very high95.9Very high33 Ų3349.8 Ų49.815%0.14526%0.255CS..  trans-101.9125175.5-172.4-85.9000111.5Y212 L227 M354 V355 M359 L362Y212-F357 AromaticContact CD1-CE2 3.56Å; Y212-F357 HydrophobicContact CD1-CE2 3.56Å; Y212-F357 AromaticContact CD1-CZ 3.85Å; Y212-F357 HydrophobicContact CD1-CZ 3.85Å; Y212-F357 HydrophobicContact CD2-CE2 4.04Å; Y212-F357 AromaticContact CD2-CZ 3.8Å; Y212-F357 HydrophobicContact CD2-CZ 3.8Å; Y212-F357 AromaticContact CE1-CE2 3.86Å; Y212-F357 HydrophobicContact CE1-CE2 3.86Å; Y212-F357 HydrophobicContact CE2-CE2 4.31Å; Y212-F357 HydrophobicContact CE2-CZ 4.47Å; Y212-F357 AromaticContact CG-CE2 3.66Å; Y212-F357 HydrophobicContact CG-CE2 3.66Å; Y212-F357 AromaticContact CG-CZ 3.45Å; Y212-F357 HydrophobicContact CG-CZ 3.45Å; Y212-F357 VanDerWaalsContact CG-CZ 3.45Å; L227-F357 HydrophobicContact CD1-CZ 4.39Å; L227-F357 HydrophobicContact CD2-CB 4.46Å; L227-F357 HydrophobicContact CD2-CD2 3.67Å; L227-F357 HydrophobicContact CD2-CE2 4.03Å; L227-F357 HydrophobicContact CD2-CG 3.97Å; M354-F357 HydrophobicContact CE-CB 4.44Å; M354-F357 HydrophobicContact CE-CD1 3.39Å; M354-F357 HydrophobicContact CE-CE1 4.06Å; M354-F357 HydrophobicContact CE-CG 4.31Å; M354-F357 PolarHBondContact O-N 2.59Å; M354-F357 HydrophobicContact SD-CD1 4Å; V355-F357 PolarHBondContact O-N 2.68Å; F357-M359 PolarHBondContact O-N 3.02Å; F357-L362 HydrophobicContact CE1-CB 4.13Å
358P95.8Very high95.9Very high66 Ų6647.5 Ų47.543%0.42925%0.246SC..  trans-68.1119.818024.9-31.7000112E360 S361P358-E360 PolarHBondContact O-N 3.19Å; P358-E360 VanDerWaalsContact O-N 3.16Å; P358-S361 WeakPolarHBondContact CG-OG 3.33Å; P358-S361 WeakPolarHBondContact O-CB 3.48Å; P358-S361 PolarHBondContact O-N 3.05Å
359M94.9Very high95.8Very high35 Ų3541.5 Ų41.517%0.17223%0.227CC..G310 helixtrans-57.9-31.4-176.7-166.76466.600112.9F350 M354 F357 S361 L362 S385 Q386F350-M359 HydrophobicContact CE1-CE 3.94Å; F350-M359 HydrophobicContact CE1-SD 4.35Å; F350-M359 HydrophobicContact CZ-CE 4.47Å; F350-M359 HydrophobicContact CZ-SD 4.31Å; M354-M359 HydrophobicContact CE-CE 3.81Å; M354-M359 HydrophobicContact CE-SD 3.62Å; M354-M359 HydrophobicContact CG-CE 4.49Å; F357-M359 PolarHBondContact O-N 3.02Å; M359-S361 PolarHBondContact O-N 2.71Å; M359-L362 WeakPolarHBondContact O-CB 3.36Å; M359-L362 PolarHBondContact O-N 3Å; M359-L362 HydrophobicContact SD-CD2 4.15Å; M359-S385 VanDerWaalsContact SD-O 3.39Å; M359-Q386 HydrophobicContact CG-CB 4.28Å; M359-Q386 HydrophobicContact CG-CG 4.4Å
360E95.1Very high95.7Very high152 Ų15243 Ų4371%0.7124%0.243SC*.G310 helixtrans-67.6-26.5178.3-57.875.1-165.200112.2P358 L362P358-E360 PolarHBondContact O-N 3.19Å; P358-E360 VanDerWaalsContact O-N 3.16Å; E360-L362 VanDerWaalsContact C-N 3.32Å
361S96.3Very high95.6Very high50 Ų5042.9 Ų42.935%0.3524%0.243SC..G310 helixtrans-80.4-14.3178.4-62.40000113.1P358 M359 Q363P358-S361 WeakPolarHBondContact CG-OG 3.33Å; P358-S361 WeakPolarHBondContact O-CB 3.48Å; P358-S361 PolarHBondContact O-N 3.05Å; M359-S361 PolarHBondContact O-N 2.71Å; S361-Q363 VanDerWaalsContact O-CD 3.3Å; S361-Q363 PolarHBondContact O-N 3.21Å; S361-Q363 PolarHBondContact O-NE2 3.45Å; S361-Q363 PolarHBondContact O-OE1 2.9Å
362L97.4Very high95.6Very high2 Ų240.9 Ų40.91%0.0123%0.229CC..EExtended strand (participates in β ladder)trans-70.7123.7174.9176.660000109.4V214 F350 M354 F357 M359 E360 V365 K387V214-L362 HydrophobicContact CB-CD1 4.17Å; V214-L362 HydrophobicContact CG2-CD1 3.64Å; V214-L362 HydrophobicContact CG2-CD2 4.15Å; F350-L362 HydrophobicContact CZ-CD2 4.22Å; M354-L362 HydrophobicContact CE-CB 4.44Å; M354-L362 HydrophobicContact CE-CD2 4.17Å; F357-L362 HydrophobicContact CE1-CB 4.13Å; M359-L362 WeakPolarHBondContact O-CB 3.36Å; M359-L362 PolarHBondContact O-N 3Å; M359-L362 HydrophobicContact SD-CD2 4.15Å; E360-L362 VanDerWaalsContact C-N 3.32Å; L362-V365 HydrophobicContact CD2-CG2 3.92Å; L362-K387 WeakPolarHBondContact O-CE 3.33Å; L362-K387 PolarHBondContact O-NZ 3.05Å
363Q96Very high95.6Very high73 Ų7343.4 Ų43.434%0.34123%0.234SC..EExtended strand (participates in β ladder)trans-74.7-59.1177.2-78.162.736.300110Q211 Y212 Y213 S361Q211-Q363 HydrophobicContact CB-CG 4.48Å; Y212-Q363 VanDerWaalsContact C-OE1 3.26Å; Y212-Q363 VanDerWaalsContact CA-OE1 3.25Å; Y212-Q363 WeakPolarHBondContact O-CB 3.22Å; Y212-Q363 PolarHBondContact O-N 2.89Å; Y212-Q363 PolarHBondContact O-OE1 3.43Å; Y213-Q363 HydrophobicContact CD1-CB 4.3Å; Y213-Q363 HydrophobicContact CE1-CB 3.88Å; Y213-Q363 HydrophobicContact CE2-CB 4.32Å; S361-Q363 VanDerWaalsContact O-CD 3.3Å; S361-Q363 PolarHBondContact O-N 3.21Å; S361-Q363 PolarHBondContact O-NE2 3.45Å; S361-Q363 PolarHBondContact O-OE1 2.9Å
364Q96.3Very high95.6Very high54 Ų5443.5 Ų43.525%0.25223%0.234SC..EExtended strand (participates in β ladder)trans-149153.3-172.1-60.7174.9-12.600111.9Y213 V214 H391Y213-Q364 HydrophobicContact CD1-CB 3.92Å; Y213-Q364 HydrophobicContact CD1-CG 4.49Å; Y213-Q364 HydrophobicContact CE1-CB 4.12Å; Y213-Q364 HydrophobicContact CE1-CG 4.19Å; V214-Q364 PolarHBondContact N-O 2.77Å; Q364-H391 HydrophobicContact CB-CB 4.42Å; Q364-H391 PolarHBondContact NE2-CD2 2.97Å; Q364-H391 VanDerWaalsContact NE2-CD2 3.32Å; Q364-H391 PolarHBondContact NE2-NE2 2.8Å; Q364-H391 PolarHBondContact OE1-CD2 2.97Å; Q364-H391 VanDerWaalsContact OE1-CD2 3.23Å
365V97.7Very high95.6Very high0 Ų044.3 Ų44.30%024%0.241CC..EExtended strand (participates in β ladder)trans-103.2120.5165.4-177.80000108.3V214 F216 F350 L362 K387 L390 H391V214-V365 HydrophobicContact CB-CG1 4.49Å; V214-V365 HydrophobicContact CB-CG2 4.29Å; V214-V365 HydrophobicContact CG1-CG1 4.23Å; V214-V365 CarbonylContact O-C 3.56Å; V214-V365 WeakPolarHBondContact O-CA 3.44Å; F216-V365 HydrophobicContact CB-CG1 4.27Å; F350-V365 HydrophobicContact CE2-CG2 3.9Å; F350-V365 HydrophobicContact CZ-CG2 4.38Å; L362-V365 HydrophobicContact CD2-CG2 3.92Å; V365-K387 HydrophobicContact CG2-CG 4.47Å; V365-L390 HydrophobicContact CB-CD2 3.82Å; V365-L390 HydrophobicContact CG1-CD2 3.93Å; V365-H391 PolarHBondContact O-N 2.88Å
366I97.2Very high95.8Very high1 Ų144.2 Ų44.21%0.00523%0.233CC..EExtended strand (participates in β ladder)trans-104.2123.7-177.2-58.3166.3000108.4F198 Y213 V214 F215 F216 M368 H391 V394F198-I366 HydrophobicContact CD1-CD1 4.26Å; F198-I366 HydrophobicContact CD2-CD1 3.64Å; F198-I366 HydrophobicContact CE1-CD1 4.09Å; F198-I366 HydrophobicContact CE2-CD1 3.44Å; F198-I366 VanDerWaalsContact CE2-CD1 3.44Å; F198-I366 HydrophobicContact CE2-CG1 4.44Å; F198-I366 HydrophobicContact CG-CD1 4.03Å; F198-I366 HydrophobicContact CZ-CD1 3.68Å; Y213-I366 HydrophobicContact CD1-CD1 3.95Å; Y213-I366 HydrophobicContact CG-CD1 4.45Å; V214-I366 PolarHBondContact O-N 3.43Å; F215-I366 HydrophobicContact CD1-CB 3.92Å; F215-I366 HydrophobicContact CD1-CD1 4.01Å; F215-I366 HydrophobicContact CD1-CG2 3.96Å; F215-I366 HydrophobicContact CE1-CB 4.12Å; F215-I366 HydrophobicContact CE1-CD1 3.38Å; F215-I366 HydrophobicContact CE1-CG1 4.34Å; F215-I366 HydrophobicContact CE1-CG2 4.06Å; F215-I366 HydrophobicContact CE2-CD1 4.21Å; F215-I366 HydrophobicContact CZ-CD1 3.48Å; F215-I366 VanDerWaalsContact CZ-CD1 3.48Å; F216-I366 PolarHBondContact N-O 3.29Å; I366-M368 HydrophobicContact CG2-SD 4.18Å; I366-H391 WeakPolarHBondContact CA-O 3.46Å; I366-H391 HydrophobicContact CG1-CB 4.33Å; I366-V394 HydrophobicContact CG2-CB 4.41Å; I366-V394 HydrophobicContact CG2-CG2 4.12Å
367L96.9Very high96.1Very high8 Ų836.4 Ų36.44%0.04219%0.192CC..EExtended strand (participates in β ladder)trans-87131-177.5-60-178.4000112.1T372 Q378 L381 L390 H391L367-T372 HydrophobicContact CB-CG2 4.45Å; L367-T372 HydrophobicContact CD2-CG2 4.24Å; L367-Q378 HydrophobicContact CD1-CG 4.07Å; L367-L381 HydrophobicContact CD2-CD1 3.66Å; L367-L390 HydrophobicContact CD1-CB 3.79Å; L367-L390 HydrophobicContact CD1-CD1 3.93Å; L367-L390 HydrophobicContact CD1-CG 4.49Å; L367-L390 HydrophobicContact CD2-CB 4.32Å; L367-L390 HydrophobicContact CD2-CD1 4.08Å; L367-L390 HydrophobicContact CG-CB 3.96Å; L367-L390 HydrophobicContact CG-CD1 4.39Å; L367-H391 PolarHBondContact N-O 3.21Å
368M96.1Very high96.1Very high4 Ų436.7 Ų36.72%0.0219%0.193CC..EExtended strand (participates in β ladder)trans-130.4161.1179.5-57.6-58.3-5500110.7V194 F215 F216 D217 I218 I366 T372 V394 A399V194-M368 HydrophobicContact CB-CE 4.19Å; V194-M368 HydrophobicContact CG1-CE 3.39Å; V194-M368 HydrophobicContact CG1-CG 3.86Å; V194-M368 HydrophobicContact CG1-SD 3.57Å; V194-M368 VanDerWaalsContact CG1-SD 3.57Å; V194-M368 HydrophobicContact CG2-CE 3.66Å; F215-M368 HydrophobicContact CD1-CG 4.48Å; F216-M368 PolarHBondContact O-N 3.05Å; D217-M368 HydrophobicContact CB-CB 3.76Å; I218-M368 PolarHBondContact N-O 3.01Å; I366-M368 HydrophobicContact CG2-SD 4.18Å; M368-T372 WeakPolarHBondContact O-CG2 3.41Å; M368-T372 PolarHBondContact O-OG1 3.3Å; M368-V394 HydrophobicContact CE-CG1 4.05Å; M368-V394 HydrophobicContact SD-CB 4.12Å; M368-V394 HydrophobicContact SD-CG1 4Å; M368-A399 HydrophobicContact CE-CB 4.15Å
369G93.3Very high96.2Very high12 Ų1236.6 Ų36.612%0.12419%0.194CC..THydrogen-bonded Turntrans74.8163.1178.800000115.5D217 I218 T372D217-G369 WeakPolarHBondContact OD1-CA 3.41Å; D217-G369 PolarHBondContact OD1-N 3.19Å; D217-G369 VanDerWaalsContact OD1-N 3.14Å; I218-G369 CarbonylContact O-C 3.58Å; I218-G369 WeakPolarHBondContact O-CA 3.36Å; G369-T372 PolarHBondContact O-OG1 3Å
370G92.5Very high96.3Very high33 Ų3335.1 Ų35.134%0.3419%0.187SC..THydrogen-bonded Turntrans-72.1-29.8-177.700000113.8I218 T372 R373I218-G370 PolarHBondContact O-N 3.31Å; G370-T372 VanDerWaalsContact C-N 3.34Å; G370-T372 PolarHBondContact O-N 3.47Å; G370-R373 WeakPolarHBondContact O-CB 3.34Å; G370-R373 PolarHBondContact O-N 2.97Å
371G95.9Very high96.4Very high1 Ų128 Ų281%0.0115%0.154CC..G310 helixtrans-71.4-26.3-176.200000113.8I218 T260 R373 I374I218-G371 PolarHBondContact O-N 3.29Å; T260-G371 VanDerWaalsContact CG2-CA 3.47Å; G371-R373 PolarHBondContact O-N 2.79Å; G371-R373 VanDerWaalsContact O-N 3.09Å; G371-I374 WeakPolarHBondContact O-CB 2.99Å; G371-I374 WeakPolarHBondContact O-CG1 3.4Å; G371-I374 PolarHBondContact O-N 3.25Å; G371-I374 VanDerWaalsContact O-N 3.12Å
372T95.9Very high96.4Very high6 Ų628.8 Ų28.84%0.03715%0.154CC..G310 helixtrans-67.3-9.417656.80000113.2F216 I218 L367 M368 G369 G370 I374 Q378F216-T372 HydrophobicContact CD1-CG2 4.31Å; I218-T372 HydrophobicContact CB-CG2 4.18Å; I218-T372 HydrophobicContact CD1-CG2 4.29Å; I218-T372 HydrophobicContact CG1-CG2 3.91Å; L367-T372 HydrophobicContact CB-CG2 4.45Å; L367-T372 HydrophobicContact CD2-CG2 4.24Å; M368-T372 WeakPolarHBondContact O-CG2 3.41Å; M368-T372 PolarHBondContact O-OG1 3.3Å; G369-T372 PolarHBondContact O-OG1 3Å; G370-T372 VanDerWaalsContact C-N 3.34Å; G370-T372 PolarHBondContact O-N 3.47Å; T372-I374 VanDerWaalsContact C-N 3.25Å; T372-I374 PolarHBondContact O-N 3.24Å; T372-Q378 WeakPolarHBondContact O-CG 3.4Å; T372-Q378 PolarHBondContact O-NE2 3.35Å
373R95Very high96.4Very high111 Ų11135 Ų3542%0.41918%0.182SC..G310 helixtrans-73.8-13.7173.2-61.6177.4178128.6-1.1113.1G370 G371 P375 S396 D397G370-R373 WeakPolarHBondContact O-CB 3.34Å; G370-R373 PolarHBondContact O-N 2.97Å; G371-R373 PolarHBondContact O-N 2.79Å; G371-R373 VanDerWaalsContact O-N 3.09Å; R373-P375 WeakPolarHBondContact O-CD 3.45Å; R373-S396 PolarHBondContact NH2-OG 3.49Å; R373-D397 IonicContact CZ-OD2 3.42Å; R373-D397 IonicContact NH1-OD2 3.7Å; R373-D397 IonicContact NH2-OD2 3.46Å; R373-D397 PolarHBondContact NH2-OD2 3.17Å
374I97.1Very high96.3Very high4 Ų434 Ų342%0.02118%0.178CC..SBendtrans-70.5121.2177.6-60.7168.4000109.3F263 L304 F343 G371 T372 K376 I377 Q378F263-I374 HydrophobicContact CD2-CD1 4.37Å; F263-I374 HydrophobicContact CE2-CD1 4.37Å; F263-I374 HydrophobicContact CG-CD1 4.46Å; F263-I374 HydrophobicContact CZ-CD1 4.48Å; L304-I374 HydrophobicContact CD1-CD1 3.99Å; L304-I374 HydrophobicContact CD1-CG1 4.36Å; F343-I374 HydrophobicContact CE1-CG2 3.99Å; F343-I374 HydrophobicContact CZ-CG2 4.47Å; G371-I374 WeakPolarHBondContact O-CB 2.99Å; G371-I374 WeakPolarHBondContact O-CG1 3.4Å; G371-I374 PolarHBondContact O-N 3.25Å; G371-I374 VanDerWaalsContact O-N 3.12Å; T372-I374 VanDerWaalsContact C-N 3.25Å; T372-I374 PolarHBondContact O-N 3.24Å; I374-K376 PolarHBondContact O-N 3.15Å; I374-I377 HydrophobicContact CB-CB 4.36Å; I374-I377 HydrophobicContact CB-CD1 4.01Å; I374-I377 HydrophobicContact CB-CG1 3.99Å; I374-I377 HydrophobicContact CD1-CD1 3.88Å; I374-I377 HydrophobicContact CG1-CD1 4.46Å; I374-I377 HydrophobicContact CG2-CD1 4.45Å; I374-I377 HydrophobicContact CG2-CG1 4.12Å; I374-I377 WeakPolarHBondContact O-CB 3.46Å; I374-I377 PolarHBondContact O-N 3.14Å; I374-I377 VanDerWaalsContact O-N 3.08Å; I374-Q378 PolarHBondContact O-N 2.83Å
375P96.8Very high96.3Very high35 Ų3531.4 Ų31.423%0.22717%0.166CC..Hα-helixtrans-56.7-42.2-173.5-30.838.1000114.5R373 I377 Q378 S379R373-P375 WeakPolarHBondContact O-CD 3.45Å; P375-I377 VanDerWaalsContact C-N 3.27Å; P375-I377 PolarHBondContact O-N 3.14Å; P375-Q378 PolarHBondContact O-N 2.82Å; P375-Q378 VanDerWaalsContact O-N 3.14Å; P375-S379 PolarHBondContact O-N 3.14Å; P375-S379 PolarHBondContact O-OG 3.29Å
376K97.7Very high96.2Very high85 Ų8538 Ų3837%0.3720%0.197SC..Hα-helixtrans-60.6-35.1178.9-174.561.1175.6179.40113.1E336 F343 I374 S379 I380E336-K376 HydrophobicContact CG-CB 4.17Å; F343-K376 HydrophobicContact CD1-CB 3.95Å; F343-K376 HydrophobicContact CD1-CG 3.6Å; F343-K376 HydrophobicContact CD2-CG 4.24Å; F343-K376 HydrophobicContact CE1-CB 3.67Å; F343-K376 HydrophobicContact CE1-CG 3.79Å; F343-K376 HydrophobicContact CE2-CG 4.43Å; F343-K376 HydrophobicContact CG-CG 3.85Å; F343-K376 HydrophobicContact CZ-CB 4.14Å; F343-K376 HydrophobicContact CZ-CG 4.2Å; I374-K376 PolarHBondContact O-N 3.15Å; K376-S379 PolarHBondContact O-N 3.1Å; K376-I380 HydrophobicContact CG-CD1 4.32Å; K376-I380 WeakPolarHBondContact O-CG1 2.95Å; K376-I380 PolarHBondContact O-N 3.42Å; K376-I380 VanDerWaalsContact O-N 3.11Å
377I97.6Very high96.1Very high0 Ų040.1 Ų40.10%021%0.206CC..Hα-helixtrans-66.2-44.5176.2-63.9-170.8000110.3I218 F263 F343 V346 I374 P375 S379 I380 L381I218-I377 HydrophobicContact CD1-CD1 3.6Å; I218-I377 HydrophobicContact CD1-CG2 3.56Å; F263-I377 HydrophobicContact CE2-CD1 4.49Å; F263-I377 HydrophobicContact CZ-CD1 4.24Å; F343-I377 HydrophobicContact CD1-CG1 3.95Å; F343-I377 HydrophobicContact CE1-CG1 3.98Å; V346-I377 HydrophobicContact CG1-CG2 4Å; V346-I377 HydrophobicContact CG2-CD1 4.21Å; V346-I377 HydrophobicContact CG2-CG1 4.03Å; V346-I377 HydrophobicContact CG2-CG2 4.34Å; I374-I377 HydrophobicContact CB-CB 4.36Å; I374-I377 HydrophobicContact CB-CD1 4.01Å; I374-I377 HydrophobicContact CB-CG1 3.99Å; I374-I377 HydrophobicContact CD1-CD1 3.88Å; I374-I377 HydrophobicContact CG1-CD1 4.46Å; I374-I377 HydrophobicContact CG2-CD1 4.45Å; I374-I377 HydrophobicContact CG2-CG1 4.12Å; I374-I377 WeakPolarHBondContact O-CB 3.46Å; I374-I377 PolarHBondContact O-N 3.14Å; I374-I377 VanDerWaalsContact O-N 3.08Å; P375-I377 VanDerWaalsContact C-N 3.27Å; P375-I377 PolarHBondContact O-N 3.14Å; I377-S379 VanDerWaalsContact C-N 3.33Å; I377-S379 PolarHBondContact O-N 2.89Å; I377-I380 PolarHBondContact O-N 3.03Å; I377-L381 HydrophobicContact CG2-CD1 4.12Å; I377-L381 WeakPolarHBondContact O-CG 3.41Å; I377-L381 PolarHBondContact O-N 3.09Å
378Q96.8Very high95.9Very high38 Ų3845.3 Ų45.318%0.17824%0.242CC..Hα-helixtrans-61.6-41.4176.5-64.6-174.920.500111.6L367 T372 I374 P375 I380 L381 I382 L390L367-Q378 HydrophobicContact CD1-CG 4.07Å; T372-Q378 WeakPolarHBondContact O-CG 3.4Å; T372-Q378 PolarHBondContact O-NE2 3.35Å; I374-Q378 PolarHBondContact O-N 2.83Å; P375-Q378 PolarHBondContact O-N 2.82Å; P375-Q378 VanDerWaalsContact O-N 3.14Å; Q378-I380 VanDerWaalsContact C-N 3.33Å; Q378-I380 PolarHBondContact O-N 3.29Å; Q378-L381 PolarHBondContact O-N 3.44Å; Q378-I382 WeakPolarHBondContact O-CG1 3.44Å; Q378-I382 PolarHBondContact O-N 3.28Å; Q378-L390 HydrophobicContact CB-CD1 3.88Å; Q378-L390 HydrophobicContact CG-CD1 4.24Å; Q378-L390 WeakPolarHBondContact O-CD1 3.39Å
379S96.9Very high95.9Very high65 Ų6550.5 Ų50.546%0.45527%0.266SS..Hα-helixtrans-59.9-42.9175.9-550000112.4P375 K376 I377 I382 E383P375-S379 PolarHBondContact O-N 3.14Å; P375-S379 PolarHBondContact O-OG 3.29Å; K376-S379 PolarHBondContact O-N 3.1Å; I377-S379 VanDerWaalsContact C-N 3.33Å; I377-S379 PolarHBondContact O-N 2.89Å; S379-I382 PolarHBondContact O-N 3.46Å; S379-E383 PolarHBondContact O-N 3.37Å; S379-E383 VanDerWaalsContact O-N 3.14Å
380I97.6Very high96Very high3 Ų351 Ų512%0.01527%0.266CS..Hα-helixtrans-64-44177.5-69.3166.4000110.7F343 V346 R347 K376 I377 Q378 E383 H384F343-I380 HydrophobicContact CB-CD1 3.75Å; F343-I380 HydrophobicContact CD1-CD1 4.45Å; F343-I380 HydrophobicContact CG-CD1 4.46Å; V346-I380 HydrophobicContact CB-CG2 4.28Å; V346-I380 HydrophobicContact CG1-CG2 4.03Å; R347-I380 HydrophobicContact CG-CG2 3.75Å; K376-I380 HydrophobicContact CG-CD1 4.32Å; K376-I380 WeakPolarHBondContact O-CG1 2.95Å; K376-I380 PolarHBondContact O-N 3.42Å; K376-I380 VanDerWaalsContact O-N 3.11Å; I377-I380 PolarHBondContact O-N 3.03Å; Q378-I380 VanDerWaalsContact C-N 3.33Å; Q378-I380 PolarHBondContact O-N 3.29Å; I380-E383 PolarHBondContact O-N 3.4Å; I380-H384 WeakPolarHBondContact O-CB 3.27Å; I380-H384 PolarHBondContact O-N 3.29Å
381L97.3Very high96Very high2 Ų251.5 Ų51.51%0.0126%0.26CS..Hα-helixtrans-65.3-41179.5-71172.5000112.4F216 V346 F350 L367 I377 Q378 E383 H384 S385 L390F216-L381 HydrophobicContact CD1-CD1 3.71Å; F216-L381 HydrophobicContact CD1-CD2 3.98Å; F216-L381 HydrophobicContact CD1-CG 4.47Å; F216-L381 HydrophobicContact CD2-CD2 3.87Å; F216-L381 HydrophobicContact CE1-CD1 4.11Å; F216-L381 HydrophobicContact CE1-CD2 3.95Å; F216-L381 HydrophobicContact CE2-CD2 3.85Å; F216-L381 HydrophobicContact CG-CD1 4.12Å; F216-L381 HydrophobicContact CG-CD2 3.93Å; F216-L381 HydrophobicContact CZ-CD2 3.89Å; V346-L381 HydrophobicContact CG1-CD2 4.19Å; V346-L381 HydrophobicContact CG1-CG 4.27Å; F350-L381 HydrophobicContact CD2-CD2 4.44Å; L367-L381 HydrophobicContact CD2-CD1 3.66Å; I377-L381 HydrophobicContact CG2-CD1 4.12Å; I377-L381 WeakPolarHBondContact O-CG 3.41Å; I377-L381 PolarHBondContact O-N 3.09Å; Q378-L381 PolarHBondContact O-N 3.44Å; L381-E383 VanDerWaalsContact C-N 3.35Å; L381-E383 PolarHBondContact O-N 3.21Å; L381-H384 PolarHBondContact O-N 2.97Å; L381-S385 VanDerWaalsContact O-CB 3.24Å; L381-S385 WeakPolarHBondContact O-CB 3.3Å; L381-S385 PolarHBondContact O-N 2.89Å; L381-S385 PolarHBondContact O-OG 3.48Å; L381-L390 HydrophobicContact CB-CD1 3.89Å; L381-L390 HydrophobicContact CB-CD2 4.05Å
382I97.3Very high95.7Very high68 Ų6859.8 Ų59.835%0.34929%0.291SS..Hα-helixtrans-56.8-49.5173.9-75.2168.4000110.7Q378 S379 Q386 K387 L390Q378-I382 WeakPolarHBondContact O-CG1 3.44Å; Q378-I382 PolarHBondContact O-N 3.28Å; S379-I382 PolarHBondContact O-N 3.46Å; I382-Q386 PolarHBondContact O-N 3.44Å; I382-K387 WeakPolarHBondContact CG2-O 3.29Å; I382-L390 HydrophobicContact CD1-CD1 4.28Å; I382-L390 HydrophobicContact CD1-CG 4.41Å; I382-L390 HydrophobicContact CG1-CD1 3.75Å; I382-L390 HydrophobicContact CG1-CD2 4.29Å; I382-L390 HydrophobicContact CG1-CG 3.67Å
383E96.2Very high94.8Very high131 Ų13161.2 Ų61.261%0.61231%0.306SS*.Hα-helixtrans-62.5-48.9179.1-173.9-170.2155.400111.2S379 I380 L381 Q386S379-E383 PolarHBondContact O-N 3.37Å; S379-E383 VanDerWaalsContact O-N 3.14Å; I380-E383 PolarHBondContact O-N 3.4Å; L381-E383 VanDerWaalsContact C-N 3.35Å; L381-E383 PolarHBondContact O-N 3.21Å; E383-Q386 PolarHBondContact O-N 3.26Å
384H94.3Very high94.4Very high53 Ų5356.5 Ų56.525%0.24529%0.29CS..Hα-helixtrans-69.3-36.2-177.2-106.946.1000113.9R347 F350 I380 L381 Q386R347-H384 WeakPolarHBondContact CD-CE1 3.47Å; F350-H384 HydrophobicContact CD1-CB 4.23Å; F350-H384 HydrophobicContact CE1-CB 4.48Å; I380-H384 WeakPolarHBondContact O-CB 3.27Å; I380-H384 PolarHBondContact O-N 3.29Å; L381-H384 PolarHBondContact O-N 2.97Å; H384-Q386 VanDerWaalsContact C-N 3.33Å
385S95.9Very high94.2Very high0 Ų060.3 Ų60.30%031%0.31CS..Hα-helixtrans-86.3-6.5-178.377.30000113.6M359 L381 K387M359-S385 VanDerWaalsContact SD-O 3.39Å; L381-S385 VanDerWaalsContact O-CB 3.24Å; L381-S385 WeakPolarHBondContact O-CB 3.3Å; L381-S385 PolarHBondContact O-N 2.89Å; L381-S385 PolarHBondContact O-OG 3.48Å; S385-K387 PolarHBondContact O-N 2.82Å; S385-K387 WeakPolarHBondContact OG-CB 3.38Å; S385-K387 WeakPolarHBondContact OG-CG 3.35Å; S385-K387 PolarHBondContact OG-N 2.8Å
386Q95.8Very high93.7Very high139 Ų13960.1 Ų60.165%0.6531%0.31SS*.THydrogen-bonded Turntrans52.230.5-174.5-53.7176.310.600112.8M359 I382 E383 H384M359-Q386 HydrophobicContact CG-CB 4.28Å; M359-Q386 HydrophobicContact CG-CG 4.4Å; I382-Q386 PolarHBondContact O-N 3.44Å; E383-Q386 PolarHBondContact O-N 3.26Å; H384-Q386 VanDerWaalsContact C-N 3.33Å
387K95Very high93.4Very high45 Ų4557.8 Ų57.820%0.19630%0.302CS..  trans-101.9139.8176.8-63-51.7-177.3-169.80108.8L362 V365 I382 S385 E389L362-K387 WeakPolarHBondContact O-CE 3.33Å; L362-K387 PolarHBondContact O-NZ 3.05Å; V365-K387 HydrophobicContact CG2-CG 4.47Å; I382-K387 WeakPolarHBondContact CG2-O 3.29Å; S385-K387 PolarHBondContact O-N 2.82Å; S385-K387 WeakPolarHBondContact OG-CB 3.38Å; S385-K387 WeakPolarHBondContact OG-CG 3.35Å; S385-K387 PolarHBondContact OG-N 2.8Å; K387-E389 PolarHBondContact O-N 2.84Å
388S93.1Very high93.3Very high116 Ų11658.3 Ų58.381%0.81130%0.304SS*.SBendtrans-65.9-25.6174.852.20000112.7
389E95.1Very high93.3Very high113 Ų11356.5 Ų56.553%0.52830%0.296SS..  trans-147.3150.5-17764.6-176.5-178.400112.7K387 H391K387-E389 PolarHBondContact O-N 2.84Å; E389-H391 IonicContact OE1-CE1 3.05Å; E389-H391 PolarHBondContact OE1-CE1 3.43Å; E389-H391 IonicContact OE1-NE2 2.68Å
390L96.2Very high93.3Very high22 Ų2253.9 Ų53.912%0.11528%0.278CS..  trans-102.2135.3173.1-59.9170.2000109.2V365 L367 Q378 L381 I382V365-L390 HydrophobicContact CB-CD2 3.82Å; V365-L390 HydrophobicContact CG1-CD2 3.93Å; L367-L390 HydrophobicContact CD1-CB 3.79Å; L367-L390 HydrophobicContact CD1-CD1 3.93Å; L367-L390 HydrophobicContact CD1-CG 4.49Å; L367-L390 HydrophobicContact CD2-CB 4.32Å; L367-L390 HydrophobicContact CD2-CD1 4.08Å; L367-L390 HydrophobicContact CG-CB 3.96Å; L367-L390 HydrophobicContact CG-CD1 4.39Å; Q378-L390 HydrophobicContact CB-CD1 3.88Å; Q378-L390 HydrophobicContact CG-CD1 4.24Å; Q378-L390 WeakPolarHBondContact O-CD1 3.39Å; L381-L390 HydrophobicContact CB-CD1 3.89Å; L381-L390 HydrophobicContact CB-CD2 4.05Å; I382-L390 HydrophobicContact CD1-CD1 4.28Å; I382-L390 HydrophobicContact CD1-CG 4.41Å; I382-L390 HydrophobicContact CG1-CD1 3.75Å; I382-L390 HydrophobicContact CG1-CD2 4.29Å; I382-L390 HydrophobicContact CG1-CG 3.67Å
391H93.2Very high93.3Very high45 Ų4553.7 Ų53.721%0.20828%0.277CS..BIsolated β-bridgetrans-91141.4-171.9-74.365.7000112Q364 V365 I366 L367 E389Q364-H391 HydrophobicContact CB-CB 4.42Å; Q364-H391 PolarHBondContact NE2-CD2 2.97Å; Q364-H391 VanDerWaalsContact NE2-CD2 3.32Å; Q364-H391 PolarHBondContact NE2-NE2 2.8Å; Q364-H391 PolarHBondContact OE1-CD2 2.97Å; Q364-H391 VanDerWaalsContact OE1-CD2 3.23Å; V365-H391 PolarHBondContact O-N 2.88Å; I366-H391 WeakPolarHBondContact CA-O 3.46Å; I366-H391 HydrophobicContact CG1-CB 4.33Å; L367-H391 PolarHBondContact N-O 3.21Å; E389-H391 IonicContact OE1-CE1 3.05Å; E389-H391 PolarHBondContact OE1-CE1 3.43Å; E389-H391 IonicContact OE1-NE2 2.68Å
392R87.9Confident93.3Very high175 Ų17555.4 Ų55.466%0.6629%0.286SS*.  trans-121.328.5179-56.3179.1-174.5178.70.9111.7V394R392-V394 PolarHBondContact O-N 3.03Å
393G77.9Confident93.3Very high35 Ų3552.2 Ų52.236%0.36127%0.27SS..  trans-71.211.1-17200000115.6R202R202-G393 PolarHBondContact NH2-O 2.89Å
394V86.7Confident93.4Very high12 Ų1246 Ų467%0.07324%0.24CC..SBendtrans-138.8135.1-177-179.70000107.3V194 F198 I366 M368 R392 S396 A399V194-V394 HydrophobicContact CG1-CG1 4.41Å; F198-V394 HydrophobicContact CB-CG2 3.83Å; F198-V394 HydrophobicContact CD2-CG2 3.53Å; F198-V394 HydrophobicContact CG-CG2 4.15Å; I366-V394 HydrophobicContact CG2-CB 4.41Å; I366-V394 HydrophobicContact CG2-CG2 4.12Å; M368-V394 HydrophobicContact CE-CG1 4.05Å; M368-V394 HydrophobicContact SD-CB 4.12Å; M368-V394 HydrophobicContact SD-CG1 4Å; R392-V394 PolarHBondContact O-N 3.03Å; V394-S396 PolarHBondContact O-N 3.12Å; V394-A399 HydrophobicContact CG1-CB 3.1Å
395N91.9Very high93.6Very high84 Ų8443.4 Ų43.445%0.44923%0.229SC..  trans-69.6114.1171.9-177-37.7000108.8D397 D398 A399N395-D397 PolarHBondContact O-N 2.85Å; N395-D397 PolarHBondContact OD1-N 2.82Å; N395-D398 HydrophobicContact CB-CB 4.19Å; N395-D398 PolarHBondContact ND2-OD2 3.08Å; N395-D398 PolarHBondContact O-N 2.86Å; N395-D398 PolarHBondContact OD1-N 3.33Å; N395-A399 VanDerWaalsContact O-CB 3.25Å; N395-A399 WeakPolarHBondContact O-CB 3.22Å; N395-A399 PolarHBondContact O-N 2.9Å; N395-A399 VanDerWaalsContact O-N 3.1Å
396S87.6Confident93.7Very high32 Ų3244 Ų4422%0.22423%0.231CC..THydrogen-bonded Turntrans-66.4-23.4-17265.20000114.5R373 V394R373-S396 PolarHBondContact NH2-OG 3.49Å; V394-S396 PolarHBondContact O-N 3.12Å
397D90.9Very high93.8Very high36 Ų3637.7 Ų37.719%0.19320%0.202CC..THydrogen-bonded Turntrans-89.8-28-179.7-75.7-75.8000112.2K31 K52 R373 N395K31-D397 VanDerWaalsContact CD-O 3.31Å; K31-D397 WeakPolarHBondContact CD-O 3.43Å; K31-D397 WeakPolarHBondContact CE-O 3.43Å; K52-D397 IonicContact NZ-OD1 2.69Å; K52-D397 PolarHBondContact NZ-OD1 3.37Å; K52-D397 IonicContact NZ-OD2 3.88Å; R373-D397 IonicContact CZ-OD2 3.42Å; R373-D397 IonicContact NH1-OD2 3.7Å; R373-D397 IonicContact NH2-OD2 3.46Å; R373-D397 PolarHBondContact NH2-OD2 3.17Å; N395-D397 PolarHBondContact O-N 2.85Å; N395-D397 PolarHBondContact OD1-N 2.82Å
398D95.2Very high93.8Very high10 Ų1035.6 Ų35.65%0.05319%0.192CC..THydrogen-bonded Turntrans-102.4-26.3-171.6-62.1-24.9000114.5I43 R51 N395 A400 A401 L402I43-D398 HydrophobicContact CD1-CB 3.99Å; I43-D398 HydrophobicContact CG1-CB 4Å; R51-D398 IonicContact CZ-OD1 3.76Å; R51-D398 IonicContact CZ-OD2 2.62Å; R51-D398 IonicContact NE-OD1 2.85Å; R51-D398 IonicContact NE-OD2 2.79Å; R51-D398 PolarHBondContact NE-OD2 3.4Å; R51-D398 VanDerWaalsContact NH2-CG 3.32Å; R51-D398 IonicContact NH2-OD1 2.69Å; R51-D398 IonicContact NH2-OD2 3.31Å; R51-D398 PolarHBondContact NH2-OD2 2.85Å; N395-D398 HydrophobicContact CB-CB 4.19Å; N395-D398 PolarHBondContact ND2-OD2 3.08Å; N395-D398 PolarHBondContact O-N 2.86Å; N395-D398 PolarHBondContact OD1-N 3.33Å; D398-A400 PolarHBondContact O-N 3.12Å; D398-A401 PolarHBondContact O-N 2.91Å; D398-A401 VanDerWaalsContact O-N 3.17Å; D398-L402 HydrophobicContact CB-CD1 3.98Å; D398-L402 HydrophobicContact CB-CG 4.4Å; D398-L402 PolarHBondContact O-N 3.08Å
399A96.5Very high93.9Very high1 Ų130 Ų301%0.00815%0.154CC..Hα-helixtrans-64.9-35-163.300000115.1V194 N197 M368 V394 N395 L402 G403V194-A399 HydrophobicContact CG1-CB 4.44Å; V194-A399 HydrophobicContact CG2-CB 4.21Å; N197-A399 HydrophobicContact CB-CB 4.19Å; N197-A399 WeakPolarHBondContact CB-O 3.12Å; M368-A399 HydrophobicContact CE-CB 4.15Å; V394-A399 HydrophobicContact CG1-CB 3.1Å; N395-A399 VanDerWaalsContact O-CB 3.25Å; N395-A399 WeakPolarHBondContact O-CB 3.22Å; N395-A399 PolarHBondContact O-N 2.9Å; N395-A399 VanDerWaalsContact O-N 3.1Å; A399-L402 PolarHBondContact O-N 3.31Å; A399-G403 PolarHBondContact O-N 3.46Å
400A97.5Very high93.8Very high9 Ų927.9 Ų27.97%0.07414%0.142CC..Hα-helixtrans-63-47.6175.600000110.6D24 T160 A193 V194 D398 G403 A404D24-A400 HydrophobicContact CB-CB 4.42Å; T160-A400 HydrophobicContact CG2-CB 4.2Å; A193-A400 WeakPolarHBondContact CB-O 3.25Å; V194-A400 HydrophobicContact CG2-CB 3.89Å; D398-A400 PolarHBondContact O-N 3.12Å; A400-G403 PolarHBondContact O-N 2.89Å; A400-A404 VanDerWaalsContact O-CB 3.29Å; A400-A404 WeakPolarHBondContact O-CB 3.3Å; A400-A404 PolarHBondContact O-N 3.16Å
401A98.1Very high93.7Very high0 Ų029.6 Ų29.60%015%0.15CC..Hα-helixtrans-63.8-44.217600000111.8S22 D24 K31 A33 I43 D398 G403 A404 V405S22-A401 PolarHBondContact OG-O 3.44Å; D24-A401 HydrophobicContact CB-CB 4.03Å; K31-A401 HydrophobicContact CB-CB 4.24Å; A33-A401 HydrophobicContact CB-CB 4.1Å; I43-A401 HydrophobicContact CD1-CB 3.78Å; D398-A401 PolarHBondContact O-N 2.91Å; D398-A401 VanDerWaalsContact O-N 3.17Å; A401-G403 PolarHBondContact O-N 3.28Å; A401-A404 PolarHBondContact O-N 3.39Å; A401-V405 PolarHBondContact O-N 3.23Å
402L97.7Very high93.5Very high38 Ų3828.1 Ų28.120%0.19914%0.144CC..Hα-helixtrans-67.9-33179.2-69.6174.7000113.3A33 I43 N197 D398 A399 V405 Y406A33-L402 HydrophobicContact CB-CD2 4.27Å; I43-L402 HydrophobicContact CD1-CD2 4.33Å; I43-L402 HydrophobicContact CD1-CG 4.18Å; I43-L402 HydrophobicContact CG1-CD2 4.26Å; I43-L402 HydrophobicContact CG1-CG 4.34Å; N197-L402 VanDerWaalsContact ND2-CB 3.29Å; N197-L402 WeakPolarHBondContact ND2-CB 3.34Å; D398-L402 HydrophobicContact CB-CD1 3.98Å; D398-L402 HydrophobicContact CB-CG 4.4Å; D398-L402 PolarHBondContact O-N 3.08Å; A399-L402 PolarHBondContact O-N 3.31Å; L402-V405 WeakPolarHBondContact O-CG1 3.31Å; L402-Y406 PolarHBondContact O-N 3.4Å
403G97.7Very high93.4Very high0 Ų025.2 Ų25.20%015%0.148CC..Hα-helixtrans-69-40171.600000112.3A193 A399 A400 A401 Y406 Q407A193-G403 WeakPolarHBondContact O-CA 3.41Å; A399-G403 PolarHBondContact O-N 3.46Å; A400-G403 PolarHBondContact O-N 2.89Å; A401-G403 PolarHBondContact O-N 3.28Å; G403-Y406 WeakPolarHBondContact O-CB 3.29Å; G403-Y406 PolarHBondContact O-N 2.77Å; G403-Q407 PolarHBondContact O-N 2.92Å
404A98.3Very high93.8Very high0 Ų026.5 Ų26.50%016%0.161CC..Hα-helixtrans-68.7-42.517800000112.7S22 V158 T160 I188 A400 A401 Y406 Q407 A408S22-A404 VanDerWaalsContact CB-CB 3.49Å; V158-A404 HydrophobicContact CB-CB 4.43Å; V158-A404 WeakPolarHBondContact CB-O 3.47Å; V158-A404 HydrophobicContact CG1-CB 3.83Å; T160-A404 HydrophobicContact CG2-CB 3.81Å; I188-A404 HydrophobicContact CG2-CB 3.99Å; A400-A404 VanDerWaalsContact O-CB 3.29Å; A400-A404 WeakPolarHBondContact O-CB 3.3Å; A400-A404 PolarHBondContact O-N 3.16Å; A401-A404 PolarHBondContact O-N 3.39Å; A404-Y406 PolarHBondContact O-N 3.43Å; A404-Q407 WeakPolarHBondContact O-CA 3.08Å; A404-Q407 WeakPolarHBondContact O-CB 3.27Å; A404-Q407 PolarHBondContact O-N 2.96Å; A404-A408 PolarHBondContact O-N 2.8Å
405V97.8Very high93.9Very high0 Ų027.9 Ų27.90%017%0.166CC..Hα-helixtrans-68-27.8177.878.80000112.2S22 A33 V35 M41 A401 L402 Q407 A408 A409S22-V405 WeakPolarHBondContact OG-CB 3.4Å; S22-V405 PolarHBondContact OG-N 2.83Å; A33-V405 HydrophobicContact CB-CB 3.78Å; A33-V405 HydrophobicContact CB-CG1 3.75Å; A33-V405 HydrophobicContact CB-CG2 4.22Å; V35-V405 HydrophobicContact CB-CG2 3.94Å; V35-V405 HydrophobicContact CG1-CG2 3.98Å; M41-V405 HydrophobicContact CB-CG1 3.78Å; M41-V405 HydrophobicContact CG-CG1 3.98Å; M41-V405 HydrophobicContact SD-CG1 4.09Å; A401-V405 PolarHBondContact O-N 3.23Å; L402-V405 WeakPolarHBondContact O-CG1 3.31Å; V405-Q407 VanDerWaalsContact C-N 3.33Å; V405-A408 WeakPolarHBondContact O-CB 3.46Å; V405-A408 PolarHBondContact O-N 3.26Å; V405-A409 PolarHBondContact O-N 2.91Å
406Y97.4Very high93.8Very high11 Ų1135.7 Ų35.74%0.04319%0.189CC..Hα-helixtrans-62.8-41.2169.6169-85.7000111.3M41 L196 L200 L402 G403 A404 A408 A409 F410 V417 T418 F420M41-Y406 HydrophobicContact CE-CD2 3.83Å; M41-Y406 HydrophobicContact CE-CG 4.43Å; M41-Y406 HydrophobicContact SD-CD2 4.22Å; M41-Y406 HydrophobicContact SD-CG 4.48Å; L196-Y406 HydrophobicContact CD1-CD1 4.4Å; L196-Y406 HydrophobicContact CD1-CE1 4.19Å; L196-Y406 HydrophobicContact CD2-CD1 3.79Å; L196-Y406 HydrophobicContact CD2-CE1 4.21Å; L196-Y406 HydrophobicContact CG-CD1 4.24Å; L200-Y406 HydrophobicContact CD1-CD1 3.73Å; L200-Y406 HydrophobicContact CD1-CD2 3.55Å; L200-Y406 HydrophobicContact CD1-CE1 4.17Å; L200-Y406 HydrophobicContact CD1-CE2 4.03Å; L200-Y406 HydrophobicContact CD1-CG 3.38Å; L200-Y406 HydrophobicContact CD2-CD1 4.34Å; L200-Y406 HydrophobicContact CD2-CD2 3.73Å; L200-Y406 HydrophobicContact CD2-CE1 3.96Å; L200-Y406 HydrophobicContact CD2-CE2 3.3Å; L200-Y406 HydrophobicContact CD2-CG 4.22Å; L200-Y406 VanDerWaalsContact CD2-CZ 3.42Å; L200-Y406 HydrophobicContact CG-CD2 4.3Å; L200-Y406 HydrophobicContact CG-CE2 4.32Å; L200-Y406 HydrophobicContact CG-CG 4.44Å; L402-Y406 PolarHBondContact O-N 3.4Å; G403-Y406 WeakPolarHBondContact O-CB 3.29Å; G403-Y406 PolarHBondContact O-N 2.77Å; A404-Y406 PolarHBondContact O-N 3.43Å; Y406-A408 VanDerWaalsContact C-N 3.32Å; Y406-A409 WeakPolarHBondContact O-CB 3.5Å; Y406-A409 PolarHBondContact O-N 3.07Å; Y406-F410 PolarHBondContact O-N 3.27Å; Y406-V417 HydrophobicContact CD2-CB 4.41Å; Y406-V417 HydrophobicContact CE2-CB 3.79Å; Y406-V417 HydrophobicContact CE2-CG1 4.36Å; Y406-V417 HydrophobicContact CE2-CG2 3.98Å; Y406-T418 PolarHBondContact OH-O 2.96Å; Y406-F420 HydrophobicContact CE1-CB 4.19Å; Y406-F420 WeakPolarHBondContact OH-CB 3.1Å; Y406-F420 PolarHBondContact OH-N 2.8Å
407Q97Very high94Very high8 Ų836.2 Ų36.24%0.03719%0.191CC..Hα-helixtrans-64.7-37.6172.1-71.9-65.3-8.800111.8V158 Q186 I188 L196 G403 A404 V405 A409 F410 H411V158-Q407 HydrophobicContact CG1-CB 4.27Å; V158-Q407 HydrophobicContact CG2-CB 4.21Å; Q186-Q407 VanDerWaalsContact OE1-CB 3.32Å; Q186-Q407 VanDerWaalsContact OE1-CG 3.31Å; I188-Q407 HydrophobicContact CD1-CG 3.97Å; L196-Q407 HydrophobicContact CD2-CG 3.77Å; L196-Q407 VanDerWaalsContact CD2-NE2 3.28Å; G403-Q407 PolarHBondContact O-N 2.92Å; A404-Q407 WeakPolarHBondContact O-CA 3.08Å; A404-Q407 WeakPolarHBondContact O-CB 3.27Å; A404-Q407 PolarHBondContact O-N 2.96Å; V405-Q407 VanDerWaalsContact C-N 3.33Å; Q407-A409 VanDerWaalsContact C-N 3.29Å; Q407-A409 PolarHBondContact O-N 3.47Å; Q407-F410 WeakPolarHBondContact O-CB 3.47Å; Q407-F410 PolarHBondContact O-N 3.35Å; Q407-F410 VanDerWaalsContact O-N 3.12Å; Q407-H411 PolarHBondContact O-CD2 2.77Å; Q407-H411 PolarHBondContact O-N 3.12Å
408A96.3Very high94.1Very high0 Ų037.9 Ų37.90%020%0.203CC..Hα-helixtrans-59.8-42.3174.500000111.2V158 A404 V405 Y406 T412V158-A408 HydrophobicContact CB-CB 4.2Å; V158-A408 HydrophobicContact CG2-CB 3.66Å; A404-A408 PolarHBondContact O-N 2.8Å; V405-A408 WeakPolarHBondContact O-CB 3.46Å; V405-A408 PolarHBondContact O-N 3.26Å; Y406-A408 VanDerWaalsContact C-N 3.32Å; A408-T412 VanDerWaalsContact O-CB 3.22Å; A408-T412 WeakPolarHBondContact O-CB 3.29Å; A408-T412 PolarHBondContact O-N 2.81Å; A408-T412 VanDerWaalsContact O-N 3.08Å; A408-T412 PolarHBondContact O-OG1 3.39Å
409A94.9Very high94Very high0 Ų041.2 Ų41.20%021%0.214CC..Hα-helixtrans-66.1-38.1173.600000112.5V35 M41 V405 Y406 Q407 F415 V417V35-A409 HydrophobicContact CB-CB 4.46Å; V35-A409 HydrophobicContact CG1-CB 4.1Å; V35-A409 HydrophobicContact CG2-CB 4.04Å; M41-A409 HydrophobicContact CE-CB 3.75Å; V405-A409 PolarHBondContact O-N 2.91Å; Y406-A409 WeakPolarHBondContact O-CB 3.5Å; Y406-A409 PolarHBondContact O-N 3.07Å; Q407-A409 VanDerWaalsContact C-N 3.29Å; Q407-A409 PolarHBondContact O-N 3.47Å; A409-F415 HydrophobicContact CB-CB 4.23Å; A409-F415 HydrophobicContact CB-CD2 4.46Å; A409-F415 HydrophobicContact CB-CG 4.3Å; A409-F415 VanDerWaalsContact O-CB 3.28Å; A409-F415 WeakPolarHBondContact O-CB 3.36Å; A409-V417 HydrophobicContact CB-CG1 3.8Å
410F94Very high94Very high67 Ų6741.5 Ų41.529%0.29422%0.215SC..Hα-helixtrans-64.9-40.6177.1179.4-101.9000112.5Y406 Q407 V417 R419Y406-F410 PolarHBondContact O-N 3.27Å; Q407-F410 WeakPolarHBondContact O-CB 3.47Å; Q407-F410 PolarHBondContact O-N 3.35Å; Q407-F410 VanDerWaalsContact O-N 3.12Å; F410-V417 HydrophobicContact CB-CG2 3.89Å; F410-V417 HydrophobicContact CD2-CG2 3.98Å; F410-V417 HydrophobicContact CG-CG2 4.46Å; F410-R419 HydrophobicContact CE2-CB 4.48Å; F410-R419 HydrophobicContact CE2-CG 4.17Å
411H92.8Very high93.9Very high59 Ų5941.2 Ų41.227%0.27321%0.212SC..Hα-helixtrans-84.2-13.1-178.6-73.7-63.7000114.4L185 Q186 Q407 P413L185-H411 HydrophobicContact CB-CB 4.15Å; L185-H411 HydrophobicContact CD1-CB 4.08Å; Q186-H411 PolarHBondContact OE1-NE2 2.68Å; Q407-H411 PolarHBondContact O-CD2 2.77Å; Q407-H411 PolarHBondContact O-N 3.12Å; H411-P413 WeakPolarHBondContact O-CD 3.49Å
412T90.1Very high93.9Very high14 Ų1442.4 Ų42.49%0.08622%0.22CC..SBendtrans-94.1117.3-177.4-62.90000111.3I18 S20 L185 A408 G414 F415I18-T412 HydrophobicContact CG2-CG2 3.42Å; I18-T412 VanDerWaalsContact CG2-CG2 3.42Å; S20-T412 PolarHBondContact OG-OG1 3.4Å; L185-T412 VanDerWaalsContact CD1-OG1 3.31Å; L185-T412 WeakPolarHBondContact CD1-OG1 3.49Å; A408-T412 VanDerWaalsContact O-CB 3.22Å; A408-T412 WeakPolarHBondContact O-CB 3.29Å; A408-T412 PolarHBondContact O-N 2.81Å; A408-T412 VanDerWaalsContact O-N 3.08Å; A408-T412 PolarHBondContact O-OG1 3.39Å; T412-G414 PolarHBondContact O-N 3.15Å; T412-F415 HydrophobicContact CG2-CD2 3.92Å; T412-F415 HydrophobicContact CG2-CE2 4.22Å; T412-F415 PolarHBondContact O-N 3.14Å
413P85.9Confident93.8Very high114 Ų11442.5 Ų42.574%0.7422%0.218SC*.THydrogen-bonded Turntrans-55.4132175.3-24.734.5000111.6H411H411-P413 WeakPolarHBondContact O-CD 3.49Å
414G85.5Confident93.8Very high61 Ų6142.9 Ų42.963%0.62922%0.221SC*.THydrogen-bonded Turntrans108.2-27.5179.100000114.2T412T412-G414 PolarHBondContact O-N 3.15Å
415F89.7Confident93.7Very high41 Ų4144 Ų4418%0.1823%0.225CC..  trans-79.6141.6166.6-73-65.8000110.7I18 V35 A409 T412I18-F415 HydrophobicContact CB-CE2 4.46Å; I18-F415 HydrophobicContact CG2-CD2 3.96Å; I18-F415 HydrophobicContact CG2-CE2 3.69Å; I18-F415 HydrophobicContact CG2-CZ 4.38Å; I18-F415 WeakPolarHBondContact O-CE2 3.35Å; I18-F415 WeakPolarHBondContact O-CZ 3.48Å; V35-F415 HydrophobicContact CB-CZ 4.27Å; V35-F415 HydrophobicContact CG1-CD2 4.42Å; V35-F415 HydrophobicContact CG1-CE2 3.82Å; V35-F415 HydrophobicContact CG1-CZ 3.94Å; V35-F415 HydrophobicContact CG2-CD1 4.03Å; V35-F415 HydrophobicContact CG2-CE1 3.6Å; V35-F415 HydrophobicContact CG2-CE2 4.25Å; V35-F415 HydrophobicContact CG2-CZ 3.71Å; A409-F415 HydrophobicContact CB-CB 4.23Å; A409-F415 HydrophobicContact CB-CD2 4.46Å; A409-F415 HydrophobicContact CB-CG 4.3Å; A409-F415 VanDerWaalsContact O-CB 3.28Å; A409-F415 WeakPolarHBondContact O-CB 3.36Å; T412-F415 HydrophobicContact CG2-CD2 3.92Å; T412-F415 HydrophobicContact CG2-CE2 4.22Å; T412-F415 PolarHBondContact O-N 3.14Å
416R89.9Confident93.5Very high249 Ų24944.6 Ų44.694%0.9423%0.228SC*.  trans-120.597.7174.7-68-174.9-179.7-177.50.3108.8
417V91.6Very high93.2Very high43 Ų4344.4 Ų44.426%0.26123%0.228SC..  trans-107.3155.6173.8-61.30000110M41 Y406 A409 F410 R419M41-V417 HydrophobicContact CE-CG1 3.73Å; Y406-V417 HydrophobicContact CD2-CB 4.41Å; Y406-V417 HydrophobicContact CE2-CB 3.79Å; Y406-V417 HydrophobicContact CE2-CG1 4.36Å; Y406-V417 HydrophobicContact CE2-CG2 3.98Å; A409-V417 HydrophobicContact CB-CG1 3.8Å; F410-V417 HydrophobicContact CB-CG2 3.89Å; F410-V417 HydrophobicContact CD2-CG2 3.98Å; F410-V417 HydrophobicContact CG-CG2 4.46Å; V417-R419 PolarHBondContact O-N 3.45Å
418T91.6Very high92.9Very high71 Ų7144.8 Ų44.844%0.43623%0.229SC..  trans-50.9137.6169-57.50000108.7F203 P245 Y406 F420F203-T418 HydrophobicContact CZ-CG2 4.44Å; P245-T418 HydrophobicContact CG-CG2 4.41Å; Y406-T418 PolarHBondContact OH-O 2.96Å; T418-F420 PolarHBondContact O-N 3.28Å
419R94.1Very high92.7Very high80 Ų8045.5 Ų45.530%0.30223%0.234SC..  trans-74.9119173-179.8177.7-71.8-100.52109.2D237 F244 P245 F410 V417D237-R419 IonicContact OD2-CZ 3.58Å; D237-R419 IonicContact OD2-NH1 3.51Å; D237-R419 PolarHBondContact OD2-NH1 2.63Å; F244-R419 HydrophobicContact CD1-CB 3.95Å; F244-R419 HydrophobicContact CD1-CG 4.27Å; F244-R419 HydrophobicContact CE1-CB 4.04Å; F244-R419 HydrophobicContact CE1-CG 4.41Å; F244-R419 HydrophobicContact CG-CG 4.48Å; P245-R419 WeakPolarHBondContact CD-O 3.49Å; F410-R419 HydrophobicContact CE2-CB 4.48Å; F410-R419 HydrophobicContact CE2-CG 4.17Å; V417-R419 PolarHBondContact O-N 3.45Å
420F96.1Very high92.6Very high7 Ų745.5 Ų45.53%0.03123%0.234CC..  trans-120.7112.7177.7-159.1-55.5000108.8L196 L200 F203 Y230 P245 L247 Y406 T418 V422L196-F420 HydrophobicContact CD1-CB 4.19Å; L196-F420 HydrophobicContact CD1-CD1 3.69Å; L196-F420 HydrophobicContact CD1-CD2 4.17Å; L196-F420 HydrophobicContact CD1-CE1 4.1Å; L196-F420 HydrophobicContact CD1-CG 3.75Å; L196-F420 HydrophobicContact CD1-CZ 4.49Å; L200-F420 HydrophobicContact CD2-CB 4.43Å; L200-F420 HydrophobicContact CD2-CD2 3.62Å; L200-F420 HydrophobicContact CD2-CE2 4.28Å; L200-F420 HydrophobicContact CD2-CG 4.35Å; L200-F420 HydrophobicContact CG-CD2 4.14Å; L200-F420 HydrophobicContact CG-CE2 4.4Å; F203-F420 HydrophobicContact CB-CE2 4.03Å; Y230-F420 HydrophobicContact CD1-CZ 4.18Å; Y230-F420 HydrophobicContact CE1-CZ 4.34Å; P245-F420 HydrophobicContact CB-CD1 4.25Å; P245-F420 HydrophobicContact CB-CD2 3.7Å; P245-F420 HydrophobicContact CB-CE1 4.11Å; P245-F420 HydrophobicContact CB-CE2 3.59Å; P245-F420 HydrophobicContact CB-CG 4.04Å; P245-F420 HydrophobicContact CB-CZ 3.8Å; P245-F420 HydrophobicContact CG-CB 4.1Å; P245-F420 HydrophobicContact CG-CD1 4.35Å; P245-F420 HydrophobicContact CG-CD2 3.4Å; P245-F420 HydrophobicContact CG-CE2 3.82Å; P245-F420 HydrophobicContact CG-CG 3.71Å; P245-F420 HydrophobicContact CG-CZ 4.43Å; L247-F420 HydrophobicContact CB-CD1 4.36Å; L247-F420 HydrophobicContact CB-CE1 3.57Å; L247-F420 HydrophobicContact CB-CZ 4.44Å; Y406-F420 HydrophobicContact CE1-CB 4.19Å; Y406-F420 WeakPolarHBondContact OH-CB 3.1Å; Y406-F420 PolarHBondContact OH-N 2.8Å; T418-F420 PolarHBondContact O-N 3.28Å; F420-V422 HydrophobicContact CD1-CG2 4.43Å; F420-V422 PolarHBondContact O-N 3.5Å
421I96.1Very high92.6Very high2 Ų242.3 Ų42.31%0.0122%0.22CC..EExtended strand (participates in β ladder)trans-75.8122.6-175.8-56.9173.1000108.6H235 D237 F244 P245 M246 L247 K423H235-I421 HydrophobicContact CB-CD1 3.44Å; H235-I421 VanDerWaalsContact CB-CD1 3.44Å; D237-I421 HydrophobicContact CB-CD1 3.79Å; D237-I421 HydrophobicContact CB-CG1 3.89Å; F244-I421 HydrophobicContact CB-CD1 4.02Å; F244-I421 HydrophobicContact CB-CG1 4.23Å; F244-I421 HydrophobicContact CD2-CD1 4.04Å; F244-I421 HydrophobicContact CG-CD1 4.44Å; P245-I421 PolarHBondContact O-N 2.65Å; M246-I421 CarbonylContact C-O 3.57Å; M246-I421 WeakPolarHBondContact CA-O 3.29Å; M246-I421 HydrophobicContact CB-CB 4.31Å; M246-I421 HydrophobicContact CE-CD1 4.1Å; M246-I421 HydrophobicContact CE-CG2 4.21Å; M246-I421 HydrophobicContact CG-CB 4.24Å; M246-I421 HydrophobicContact CG-CG2 4.27Å; L247-I421 PolarHBondContact N-O 2.76Å; I421-K423 HydrophobicContact CG2-CD 4.4Å; I421-K423 HydrophobicContact CG2-CG 4.26Å
422V96.8Very high92.7Very high25 Ų2539.5 Ų39.515%0.15221%0.207CC..EExtended strand (participates in β ladder)trans-111.4124.4174.5-176.40000109.1L196 L247 F420L196-V422 HydrophobicContact CD1-CG2 3.85Å; L196-V422 HydrophobicContact CD2-CG2 4.13Å; L196-V422 HydrophobicContact CG-CG2 4.47Å; L247-V422 HydrophobicContact CD2-CG1 4.28Å; F420-V422 HydrophobicContact CD1-CG2 4.43Å; F420-V422 PolarHBondContact O-N 3.5Å
423K96.8Very high92.8Very high40 Ų4040 Ų4017%0.17421%0.209CC..EExtended strand (participates in β ladder)trans-120.2110172.5-60.8-59.4178.2-161.80108.5L247 R248 I249 I421L247-K423 PolarHBondContact O-N 2.84Å; R248-K423 WeakPolarHBondContact CA-O 3.14Å; R248-K423 HydrophobicContact CB-CB 4.49Å; R248-K423 HydrophobicContact CG-CB 4.28Å; I249-K423 PolarHBondContact N-O 3.34Å; I421-K423 HydrophobicContact CG2-CD 4.4Å; I421-K423 HydrophobicContact CG2-CG 4.26Å
424D97.6Very high93.2Very high9 Ų935.4 Ų35.45%0.04818%0.177CC..EExtended strand (participates in β ladder)trans-94.8170.9-175.2-151-29.8000111.2N189 S192 I470 F471N189-D424 VanDerWaalsContact ND2-CG 3.3Å; N189-D424 PolarHBondContact ND2-OD1 3.25Å; N189-D424 PolarHBondContact ND2-OD2 3.14Å; S192-D424 VanDerWaalsContact CB-OD2 3.25Å; S192-D424 WeakPolarHBondContact CB-OD2 3.32Å; S192-D424 PolarHBondContact OG-OD1 3.47Å; S192-D424 VanDerWaalsContact OG-OD1 3.14Å; S192-D424 PolarHBondContact OG-OD2 2.94Å; D424-I470 CarbonylContact O-C 3.47Å; D424-I470 VanDerWaalsContact O-CA 3.23Å; D424-I470 WeakPolarHBondContact O-CA 3.29Å; D424-F471 HydrophobicContact CB-CD1 4.15Å; D424-F471 HydrophobicContact CB-CD2 4.1Å; D424-F471 HydrophobicContact CB-CE1 3.71Å; D424-F471 HydrophobicContact CB-CE2 3.66Å; D424-F471 HydrophobicContact CB-CG 4.34Å; D424-F471 HydrophobicContact CB-CZ 3.45Å; D424-F471 VanDerWaalsContact CB-CZ 3.45Å; D424-F471 PolarHBondContact N-O 2.96Å; D424-F471 PolarHBondContact O-N 3Å
425Y96.1Very high93.4Very high24 Ų2436.9 Ų36.99%0.09417%0.169CC..EExtended strand (participates in β ladder)trans-109.5122.3-169.1-179.7-83.7000111.5I249 V250 N251 V252 L427 R467 G468I249-Y425 HydrophobicContact CG2-CG 4.46Å; V250-Y425 VanDerWaalsContact O-CD2 3.3Å; V250-Y425 WeakPolarHBondContact O-CD2 3.27Å; V250-Y425 WeakPolarHBondContact O-CE2 3.28Å; N251-Y425 PolarHBondContact OD1-OH 3.24Å; V252-Y425 HydrophobicContact CB-CD1 4.19Å; V252-Y425 HydrophobicContact CG2-CD1 4.07Å; V252-Y425 HydrophobicContact CG2-CG 4.18Å; Y425-L427 HydrophobicContact CE1-CD1 4.27Å; Y425-L427 PolarHBondContact O-N 3.18Å; Y425-R467 HydrophobicContact CE1-CG 4.4Å; Y425-R467 WeakPolarHBondContact OH-CG 3.28Å; Y425-R467 PolarHBondContact OH-NE 2.9Å; Y425-G468 VanDerWaalsContact CZ-CA 3.41Å
426N93.9Very high93.3Very high11 Ų1142.1 Ų42.16%0.05919%0.187CC..  trans-76.7109.6173.5-178.142.7000111.1Y428 P466 G468 A469 F471 M538N426-Y428 PolarHBondContact ND2-O 3.35Å; N426-Y428 PolarHBondContact OD1-O 3.28Å; N426-P466 PolarHBondContact ND2-O 2.96Å; N426-G468 PolarHBondContact O-N 3.24Å; N426-A469 HydrophobicContact CB-CB 4.1Å; N426-A469 WeakPolarHBondContact CB-O 3.3Å; N426-A469 PolarHBondContact N-O 2.85Å; N426-F471 HydrophobicContact CB-CD1 4.44Å; N426-M538 HydrophobicContact CB-CE 4.37Å; N426-M538 HydrophobicContact CB-SD 3.9Å
427L90.8Very high93Very high7 Ų731.3 Ų31.34%0.03715%0.151CC..  trans-75-34-178.5-174.166.9000113.3H164 H254 Y425 R467H164-L427 HydrophobicContact CB-CD2 4.03Å; H254-L427 WeakPolarHBondContact CE1-CD2 3.5Å; Y425-L427 HydrophobicContact CE1-CD1 4.27Å; Y425-L427 PolarHBondContact O-N 3.18Å; L427-R467 PolarHBondContact O-NH1 3.31Å
428Y89.8Confident92.2Very high17 Ų1733.8 Ų33.87%0.06717%0.168CC..SBendtrans-113112.8-170.7-54.1-50.1000110.4H164 N426 I430 Y492 H495 Q503H164-Y428 WeakPolarHBondContact O-CE2 3.46Å; H164-Y428 PolarHBondContact O-OH 3.09Å; N426-Y428 PolarHBondContact ND2-O 3.35Å; N426-Y428 PolarHBondContact OD1-O 3.28Å; Y428-I430 PolarHBondContact O-N 3.45Å; Y428-Y492 VanDerWaalsContact CB-CE1 3.48Å; Y428-Y492 HydrophobicContact CD2-CE1 4.22Å; Y428-Y492 HydrophobicContact CG-CE1 4.16Å; Y428-H495 AromaticContact CD1-NE2 3.96Å; Y428-Q503 HydrophobicContact CD1-CG 4.39Å; Y428-Q503 HydrophobicContact CE1-CG 4.15Å; Y428-Q503 VanDerWaalsContact CE1-NE2 3.25Å
429P91.8Very high91.2Very high15 Ų1535 Ų3510%0.09718%0.178CC..  trans-63.2138.8176.312.9-6.2000110.2F465 R467 Y492 V493 H495P429-F465 CarbonylContact C-O 3.58Å; P429-F465 WeakPolarHBondContact CA-O 3.36Å; P429-R467 HydrophobicContact CG-CB 4.17Å; P429-Y492 WeakPolarHBondContact O-CA 3.45Å; P429-V493 HydrophobicContact CB-CB 3.93Å; P429-V493 HydrophobicContact CB-CG2 4.01Å; P429-V493 HydrophobicContact CG-CB 4Å; P429-V493 PolarHBondContact O-N 3.22Å; P429-H495 WeakPolarHBondContact CD-CE1 3.4Å; P429-H495 WeakPolarHBondContact CD-NE2 3.44Å
430I93.1Very high89.8Confident0 Ų034.9 Ų34.90%018%0.182CC..EExtended strand (participates in β ladder)trans-118.4132.1179-61.3176.8000108.3Y428 L464 F465 V490 N491 Y492 L509 M538 L544Y428-I430 PolarHBondContact O-N 3.45Å; I430-L464 WeakPolarHBondContact O-CA 3.01Å; I430-L464 WeakPolarHBondContact O-CB 3.33Å; I430-L464 PolarHBondContact O-N 3.2Å; I430-F465 PolarHBondContact N-O 3.49Å; I430-F465 PolarHBondContact O-N 3.32Å; I430-V490 HydrophobicContact CG2-CG1 3.52Å; I430-N491 CarbonylContact C-O 3.53Å; I430-N491 WeakPolarHBondContact CA-O 3.44Å; I430-Y492 HydrophobicContact CD1-CE1 4.49Å; I430-Y492 HydrophobicContact CG1-CD1 4.04Å; I430-Y492 HydrophobicContact CG1-CE1 4.16Å; I430-L509 HydrophobicContact CD1-CD1 4.07Å; I430-L509 HydrophobicContact CG1-CD1 4.16Å; I430-L509 HydrophobicContact CG2-CD1 4.17Å; I430-M538 HydrophobicContact CD1-CE 3.82Å; I430-L544 HydrophobicContact CD1-CB 4.34Å; I430-L544 HydrophobicContact CD1-CD2 4.34Å; I430-L544 HydrophobicContact CG2-CD2 4.03Å
431A93.9Very high87.7Confident0 Ų041 Ų410%022%0.223CC..EExtended strand (participates in β ladder)trans-122.9163.3175.100000112.1R461 Q462 V463 V490 N491 V493A431-R461 HydrophobicContact CB-CG 3.86Å; A431-Q462 CarbonylContact C-O 3.59Å; A431-Q462 VanDerWaalsContact CA-O 3.28Å; A431-Q462 WeakPolarHBondContact CA-O 2.92Å; A431-Q462 WeakPolarHBondContact CB-O 3.42Å; A431-V463 HydrophobicContact CB-CG2 4.48Å; A431-V490 WeakPolarHBondContact O-CA 3.46Å; A431-N491 PolarHBondContact N-O 2.69Å; A431-N491 PolarHBondContact O-N 3.25Å; A431-V493 HydrophobicContact CB-CG2 3.46Å; A431-V493 VanDerWaalsContact CB-CG2 3.46Å
432V95Very high85.8Confident0 Ų044.6 Ų44.60%026%0.26CS..EExtended strand (participates in β ladder)trans-114.4126.9172.3-175.70000108.7F434 R461 Q462 L464 I477 F479 F488 Y489 V490 F536V432-F434 HydrophobicContact CG1-CD1 4.29Å; V432-R461 WeakPolarHBondContact O-CA 3.36Å; V432-Q462 PolarHBondContact N-O 3.25Å; V432-Q462 PolarHBondContact O-N 2.8Å; V432-L464 HydrophobicContact CG2-CB 4.3Å; V432-L464 HydrophobicContact CG2-CD2 4.36Å; V432-I477 HydrophobicContact CB-CD1 3.67Å; V432-I477 HydrophobicContact CG1-CD1 3.94Å; V432-I477 HydrophobicContact CG2-CD1 4.07Å; V432-F479 HydrophobicContact CG1-CE1 4.2Å; V432-F479 HydrophobicContact CG1-CZ 4.17Å; V432-F488 HydrophobicContact CG1-CB 4.07Å; V432-F488 HydrophobicContact CG1-CD2 3.61Å; V432-F488 HydrophobicContact CG1-CE2 4.42Å; V432-F488 HydrophobicContact CG1-CG 4.14Å; V432-Y489 CarbonylContact C-O 3.57Å; V432-Y489 VanDerWaalsContact CA-O 3.24Å; V432-Y489 WeakPolarHBondContact CA-O 3.34Å; V432-V490 HydrophobicContact CG2-CG2 4.27Å; V432-F536 HydrophobicContact CG2-CE2 4.3Å; V432-F536 HydrophobicContact CG2-CZ 4.4Å
433D93.2Very high83.9Confident24 Ų2447 Ų4713%0.12827%0.272CS..EExtended strand (participates in β ladder)trans-108.4128.1176.2-63.6-23000109.8V460 R461 F488 Y489 N491D433-V460 WeakPolarHBondContact CA-O 3.44Å; D433-R461 WeakPolarHBondContact OD1-CA 3.46Å; D433-R461 WeakPolarHBondContact OD1-CB 3.33Å; D433-R461 WeakPolarHBondContact OD1-CG 3.18Å; D433-R461 IonicContact OD1-CZ 3.86Å; D433-R461 IonicContact OD1-NE 3.73Å; D433-R461 PolarHBondContact OD1-NE 3.33Å; D433-R461 IonicContact OD1-NH2 3.01Å; D433-R461 IonicContact OD2-CZ 2.68Å; D433-R461 IonicContact OD2-NE 2.76Å; D433-R461 PolarHBondContact OD2-NE 2.95Å; D433-R461 IonicContact OD2-NH2 2.76Å; D433-R461 PolarHBondContact OD2-NH2 3.12Å; D433-F488 CarbonylContact O-C 3.54Å; D433-F488 WeakPolarHBondContact O-CA 3.45Å; D433-Y489 PolarHBondContact N-O 3.18Å; D433-Y489 PolarHBondContact O-N 2.9Å; D433-N491 PolarHBondContact OD2-ND2 3.5Å
434F93.1Very high81.6Confident17 Ų1754.9 Ų54.98%0.07531%0.306CS..EExtended strand (participates in β ladder)trans-151158-177.761.6-81.6000111.4V432 Y459 V460 Q462 I477 F479 F488V432-F434 HydrophobicContact CG1-CD1 4.29Å; F434-Y459 WeakPolarHBondContact O-CA 3.45Å; F434-V460 HydrophobicContact CD1-CB 4.3Å; F434-V460 WeakPolarHBondContact CD1-O 3.31Å; F434-V460 HydrophobicContact CD2-CB 4.33Å; F434-V460 HydrophobicContact CE1-CB 3.85Å; F434-V460 HydrophobicContact CE1-CG1 3.65Å; F434-V460 HydrophobicContact CE2-CB 3.89Å; F434-V460 HydrophobicContact CE2-CG1 4.18Å; F434-V460 HydrophobicContact CE2-CG2 4.32Å; F434-V460 HydrophobicContact CZ-CB 3.64Å; F434-V460 HydrophobicContact CZ-CG1 3.45Å; F434-V460 VanDerWaalsContact CZ-CG1 3.45Å; F434-V460 HydrophobicContact CZ-CG2 4.39Å; F434-V460 PolarHBondContact N-O 2.85Å; F434-V460 PolarHBondContact O-N 3.28Å; F434-Q462 HydrophobicContact CE1-CB 4.37Å; F434-I477 HydrophobicContact CD1-CD1 4.39Å; F434-I477 HydrophobicContact CE1-CD1 3.9Å; F434-F479 HydrophobicContact CB-CD1 4.17Å; F434-F479 HydrophobicContact CB-CE1 3.89Å; F434-F479 HydrophobicContact CD1-CD1 4.04Å; F434-F479 AromaticContact CD1-CE1 3.7Å; F434-F479 HydrophobicContact CD1-CE1 3.7Å; F434-F479 AromaticContact CD2-CD1 3.62Å; F434-F479 HydrophobicContact CD2-CD1 3.62Å; F434-F479 HydrophobicContact CD2-CE1 4.08Å; F434-F479 HydrophobicContact CE1-CD1 4.31Å; F434-F479 HydrophobicContact CE1-CE1 4.2Å; F434-F479 AromaticContact CE2-CD1 3.92Å; F434-F479 HydrophobicContact CE2-CD1 3.92Å; F434-F479 AromaticContact CG-CD1 3.68Å; F434-F479 HydrophobicContact CG-CD1 3.68Å; F434-F479 AromaticContact CG-CE1 3.63Å; F434-F479 HydrophobicContact CG-CE1 3.63Å; F434-F479 HydrophobicContact CZ-CD1 4.24Å; F434-F488 HydrophobicContact CB-CB 3.75Å
435M91.1Very high79.2Confident93 Ų9359 Ų5946%0.45834%0.336SS..EExtended strand (participates in β ladder)trans-79142173.1-66.4-174.173.600110.7S458 Y459 H482M435-S458 CarbonylContact C-O 3.59Å; M435-S458 WeakPolarHBondContact CA-O 3.33Å; M435-Y459 HydrophobicContact CG-CD1 3.92Å; M435-Y459 HydrophobicContact CG-CE1 3.43Å; M435-Y459 VanDerWaalsContact CG-CE1 3.43Å; M435-Y459 HydrophobicContact CG-CE2 4.28Å; M435-Y459 HydrophobicContact SD-CE1 4.42Å; M435-H482 PolarHBondContact O-CE1 2.95Å; M435-H482 PolarHBondContact O-NE2 3.37Å; M435-H482 VanDerWaalsContact O-NE2 3.09Å
436R87.6Confident76.7Confident151 Ų15164.6 Ų64.657%0.5737%0.368SS*.PPolyproline II helixtrans-60.5141.5170.2-67.3-174.5-177.6170.74.1110.1S458 V460R436-S458 PolarHBondContact N-O 2.94Å; R436-V460 HydrophobicContact CG-CG2 3.34Å
437A83.9Confident74.4Confident21 Ų2173.9 Ų73.917%0.17441%0.407CS..PPolyproline II helixtrans-56.2139.5169.900000110.3R481 H482A437-R481 HydrophobicContact CB-CB 3.73Å; A437-H482 PolarHBondContact N-CE1 3.43Å; A437-H482 PolarHBondContact N-NE2 2.86Å; A437-H482 VanDerWaalsContact N-NE2 3.13Å
438P74.3Confident72.2Confident95 Ų9580.3 Ų80.362%0.61744%0.442SS*.PPolyproline II helixtrans-60.2151.3173.923.8-31.4000110.8L440P438-L440 PolarHBondContact O-N 3.41Å
439P70.6Confident69.8Low98 Ų9885.3 Ų85.364%0.63647%0.469SS*.PPolyproline II helixtrans-54.6138.8173.5-21.130.8000110.9D443P439-D443 HydrophobicContact CB-CB 4.36Å
440L63.4Low67.3Low77 Ų7793.4 Ų93.440%0.40351%0.505SS..PPolyproline II helixtrans-71.7147.2175.6-72.4167.7000109.9P438 G442 D443 I483P438-L440 PolarHBondContact O-N 3.41Å; L440-G442 PolarHBondContact O-N 3.37Å; L440-D443 PolarHBondContact O-N 3.25Å; L440-I483 HydrophobicContact CD2-CD1 4.08Å
441P53.4Low64.8Low136 Ų136100.3 Ų100.388%0.88354%0.54SS*.THydrogen-bonded Turntrans-57.5110174.2-20.431.1000110.4
442G54.7Low62.2Low77 Ų77109.2 Ų109.279%0.79458%0.582SS**THydrogen-bonded Turntrans114.2-6.1-176.800000115.6L440 K444L440-G442 PolarHBondContact O-N 3.37Å; G442-K444 PolarHBondContact O-N 3.27Å; G442-K444 VanDerWaalsContact O-N 3.11Å
443D58.5Low59.4Low75 Ų75117 Ų11740%0.40162%0.624SS.*  trans-61.9114168.9-105.1-11000108.7P439 L440 S445 R481P439-D443 HydrophobicContact CB-CB 4.36Å; L440-D443 PolarHBondContact O-N 3.25Å; D443-S445 PolarHBondContact O-N 3.43Å; D443-R481 IonicContact OD2-CZ 2.72Å; D443-R481 IonicContact OD2-NH1 3.31Å; D443-R481 PolarHBondContact OD2-NH1 3.45Å
444K47.7Very low56.9Low206 Ų206119.7 Ų119.790%0.89664%0.636SS**  trans-73.478.9169.8-69-177.1-178.8177.10107.7G442 D446G442-K444 PolarHBondContact O-N 3.27Å; G442-K444 VanDerWaalsContact O-N 3.11Å; K444-D446 PolarHBondContact O-N 3.13Å
445S48Very low54.4Low95 Ų95128 Ų12866%0.66468%0.675SS**  trans-69.8128.2171.156.40000109.3D443 K447D443-S445 PolarHBondContact O-N 3.43Å; S445-K447 PolarHBondContact O-N 3.3Å
446D42.8Very low52.4Low142 Ų142130.6 Ų130.676%0.75969%0.69SS**  trans-41.7131.6175.8-80.1-44.6000112.5K444 D448K444-D446 PolarHBondContact O-N 3.13Å; D446-D448 PolarHBondContact O-N 3.37Å; D446-D448 VanDerWaalsContact O-N 3.16Å
447K45.8Very low50.9Low205 Ų205128.7 Ų128.789%0.89169%0.688SS**THydrogen-bonded Turntrans-76.313.2179-80-173.5172.9-176.60114.2S445S445-K447 PolarHBondContact O-N 3.3Å
448D43.9Very low50.6Low143 Ų143129.9 Ų129.977%0.76570%0.695SS**THydrogen-bonded Turntrans-12022.2-165.6-72.7-19.1000115.6D446D446-D448 PolarHBondContact O-N 3.37Å; D446-D448 VanDerWaalsContact O-N 3.16Å
449L39.1Very low51.1Low121 Ų121131.8 Ų131.863%0.63469%0.691SS**  trans-109.2111.8170.5-72.1164.6000110.6I451L449-I451 WeakPolarHBondContact O-CG1 3.09Å; L449-I451 PolarHBondContact O-N 2.81Å
450H40.2Very low52Low185 Ų185128.8 Ų128.886%0.85667%0.67SS**  trans-55.1121.5171.4-83.8-80000110.2E452H450-E452 VanDerWaalsContact C-N 3.3Å; H450-E452 PolarHBondContact O-N 3.1Å
451I40.1Very low53.4Low145 Ų145130.9 Ų130.974%0.74467%0.673SS**THydrogen-bonded Turntrans-80.84.2-165.7-70175.6000113.8L449L449-I451 WeakPolarHBondContact O-CG1 3.09Å; L449-I451 PolarHBondContact O-N 2.81Å
452E40Very low55.3Low188 Ų188128.2 Ų128.288%0.87965%0.649SS**THydrogen-bonded Turntrans-97.5-2-167.7-69.3-175169.100116.7H450H450-E452 VanDerWaalsContact C-N 3.3Å; H450-E452 PolarHBondContact O-N 3.1Å
453D36.3Very low57.1Low164 Ų164127.9 Ų127.988%0.87763%0.631SS**SBendtrans-125.18.4179.9-77-35.3000115.7Q455D453-Q455 PolarHBondContact O-N 3.08Å
454Q40Very low58.8Low80 Ų80124.6 Ų124.637%0.37461%0.614SS.*  trans-95.333.9-167.1-76.7-171.5-26.900117D456 E457Q454-D456 VanDerWaalsContact C-N 3.3Å; Q454-D456 PolarHBondContact O-N 2.76Å; Q454-E457 HydrophobicContact CG-CG 4.43Å; Q454-E457 PolarHBondContact NE2-OE2 3.35Å
455Q41.2Very low61Low192 Ų192114.8 Ų114.890%0.89757%0.571SS**SBendtrans-71.1-21.1178-93.3178.4-11.900114.4D453D453-Q455 PolarHBondContact O-N 3.08Å
456D48.9Very low63.2Low147 Ų147112.7 Ų112.779%0.78656%0.555SS**SBendtrans-98.6-10.5-177.4-103.5-19.6000115.5Q454 S458Q454-D456 VanDerWaalsContact C-N 3.3Å; Q454-D456 PolarHBondContact O-N 2.76Å; D456-S458 PolarHBondContact O-N 3.03Å; D456-S458 VanDerWaalsContact O-N 3.15Å
457E55.9Low65.5Low111 Ų111110.9 Ų110.952%0.51954%0.537SS..THydrogen-bonded Turntrans-77.3-1.5-172.6-70.2-162.8158.800115Q454Q454-E457 HydrophobicContact CG-CG 4.43Å; Q454-E457 PolarHBondContact NE2-OE2 3.35Å
458S78.3Confident67.7Low45 Ų45102.5 Ų102.532%0.31551%0.509SS..THydrogen-bonded Turntrans-81.9-21.8-177.869.20000114.1M435 R436 D456M435-S458 CarbonylContact C-O 3.59Å; M435-S458 WeakPolarHBondContact CA-O 3.33Å; R436-S458 PolarHBondContact N-O 2.94Å; D456-S458 PolarHBondContact O-N 3.03Å; D456-S458 VanDerWaalsContact O-N 3.15Å
459Y84.1Confident70.2Confident135 Ų13596.1 Ų96.153%0.52948%0.476SS..EExtended strand (participates in β ladder)trans-96144-178.4-76.8-87.5000112.5F434 M435F434-Y459 WeakPolarHBondContact O-CA 3.45Å; M435-Y459 HydrophobicContact CG-CD1 3.92Å; M435-Y459 HydrophobicContact CG-CE1 3.43Å; M435-Y459 VanDerWaalsContact CG-CE1 3.43Å; M435-Y459 HydrophobicContact CG-CE2 4.28Å; M435-Y459 HydrophobicContact SD-CE1 4.42Å
460V90.4Very high72.8Confident35 Ų3593.1 Ų93.121%0.21246%0.46CS..EExtended strand (participates in β ladder)trans-122.3127.8175.8179.20000108.6D433 F434 R436D433-V460 WeakPolarHBondContact CA-O 3.44Å; F434-V460 HydrophobicContact CD1-CB 4.3Å; F434-V460 WeakPolarHBondContact CD1-O 3.31Å; F434-V460 HydrophobicContact CD2-CB 4.33Å; F434-V460 HydrophobicContact CE1-CB 3.85Å; F434-V460 HydrophobicContact CE1-CG1 3.65Å; F434-V460 HydrophobicContact CE2-CB 3.89Å; F434-V460 HydrophobicContact CE2-CG1 4.18Å; F434-V460 HydrophobicContact CE2-CG2 4.32Å; F434-V460 HydrophobicContact CZ-CB 3.64Å; F434-V460 HydrophobicContact CZ-CG1 3.45Å; F434-V460 VanDerWaalsContact CZ-CG1 3.45Å; F434-V460 HydrophobicContact CZ-CG2 4.39Å; F434-V460 PolarHBondContact N-O 2.85Å; F434-V460 PolarHBondContact O-N 3.28Å; R436-V460 HydrophobicContact CG-CG2 3.34Å
461R91.6Very high75.5Confident122 Ų12284.8 Ų84.846%0.4642%0.422SS..EExtended strand (participates in β ladder)trans-103.7127167.9175.8165.3-74.8-178-2.4109.5A431 V432 D433 D494A431-R461 HydrophobicContact CB-CG 3.86Å; V432-R461 WeakPolarHBondContact O-CA 3.36Å; D433-R461 WeakPolarHBondContact OD1-CA 3.46Å; D433-R461 WeakPolarHBondContact OD1-CB 3.33Å; D433-R461 WeakPolarHBondContact OD1-CG 3.18Å; D433-R461 IonicContact OD1-CZ 3.86Å; D433-R461 IonicContact OD1-NE 3.73Å; D433-R461 PolarHBondContact OD1-NE 3.33Å; D433-R461 IonicContact OD1-NH2 3.01Å; D433-R461 IonicContact OD2-CZ 2.68Å; D433-R461 IonicContact OD2-NE 2.76Å; D433-R461 PolarHBondContact OD2-NE 2.95Å; D433-R461 IonicContact OD2-NH2 2.76Å; D433-R461 PolarHBondContact OD2-NH2 3.12Å; R461-D494 IonicContact NH1-OD2 3.72Å
462Q93.1Very high78Confident80 Ų8079.2 Ų79.237%0.37439%0.394SS..EExtended strand (participates in β ladder)trans-125.4118.6174.7-176.5172.5-17.300110.5A431 V432 F434 L464 I477A431-Q462 CarbonylContact C-O 3.59Å; A431-Q462 VanDerWaalsContact CA-O 3.28Å; A431-Q462 WeakPolarHBondContact CA-O 2.92Å; A431-Q462 WeakPolarHBondContact CB-O 3.42Å; V432-Q462 PolarHBondContact N-O 3.25Å; V432-Q462 PolarHBondContact O-N 2.8Å; F434-Q462 HydrophobicContact CE1-CB 4.37Å; Q462-L464 PolarHBondContact O-N 2.86Å; Q462-L464 VanDerWaalsContact O-N 3.16Å; Q462-I477 HydrophobicContact CB-CD1 3.79Å; Q462-I477 HydrophobicContact CG-CD1 4.08Å
463V93.4Very high80.6Confident69 Ų6972.8 Ų72.842%0.41836%0.364SS..EExtended strand (participates in β ladder)trans-66.5115.7176.1-179.30000109.3A431 P466 V493A431-V463 HydrophobicContact CB-CG2 4.48Å; V463-P466 HydrophobicContact CG1-CB 4.18Å; V463-V493 HydrophobicContact CG2-CG2 4.27Å
464L93.5Very high83.4Confident7 Ų771.5 Ų71.54%0.03735%0.351CS..EExtended strand (participates in β ladder)trans-82.7-57.2178.2-174.966.8000109.7I430 V432 Q462 R475 F536 L544I430-L464 WeakPolarHBondContact O-CA 3.01Å; I430-L464 WeakPolarHBondContact O-CB 3.33Å; I430-L464 PolarHBondContact O-N 3.2Å; V432-L464 HydrophobicContact CG2-CB 4.3Å; V432-L464 HydrophobicContact CG2-CD2 4.36Å; Q462-L464 PolarHBondContact O-N 2.86Å; Q462-L464 VanDerWaalsContact O-N 3.16Å; L464-R475 HydrophobicContact CD1-CB 3.73Å; L464-R475 HydrophobicContact CG-CB 4.43Å; L464-R475 WeakPolarHBondContact O-CD 3.47Å; L464-R475 VanDerWaalsContact O-CZ 3.23Å; L464-R475 PolarHBondContact O-NE 2.85Å; L464-R475 PolarHBondContact O-NH1 3.02Å; L464-F536 HydrophobicContact CD1-CD2 4.09Å; L464-F536 HydrophobicContact CD2-CB 3.7Å; L464-F536 HydrophobicContact CD2-CD1 4Å; L464-F536 HydrophobicContact CD2-CD2 3.61Å; L464-F536 HydrophobicContact CD2-CE1 4.48Å; L464-F536 HydrophobicContact CD2-CE2 4.14Å; L464-F536 HydrophobicContact CD2-CG 3.5Å; L464-L544 HydrophobicContact CD2-CD1 4.02Å
465F94.6Very high86.1Confident0 Ų072 Ų720%035%0.35CS..EExtended strand (participates in β ladder)trans-122109176.9-67.1-83.5000109P429 I430 A469 Q473 R475 F536 M538 L544P429-F465 CarbonylContact C-O 3.58Å; P429-F465 WeakPolarHBondContact CA-O 3.36Å; I430-F465 PolarHBondContact N-O 3.49Å; I430-F465 PolarHBondContact O-N 3.32Å; F465-A469 HydrophobicContact CB-CB 4.22Å; F465-A469 HydrophobicContact CD1-CB 4.25Å; F465-Q473 HydrophobicContact CE1-CB 4.04Å; F465-Q473 HydrophobicContact CE1-CG 4.04Å; F465-Q473 WeakPolarHBondContact CZ-O 3.26Å; F465-R475 HydrophobicContact CD1-CG 4.44Å; F465-R475 HydrophobicContact CE1-CB 4.29Å; F465-R475 HydrophobicContact CE1-CG 3.79Å; F465-R475 HydrophobicContact CZ-CB 3.95Å; F465-R475 HydrophobicContact CZ-CG 3.98Å; F465-F536 HydrophobicContact CE2-CB 4.37Å; F465-M538 HydrophobicContact CB-CE 3.83Å; F465-M538 HydrophobicContact CD1-CB 4.37Å; F465-M538 HydrophobicContact CD1-CE 4.18Å; F465-M538 HydrophobicContact CD2-CE 3.88Å; F465-M538 HydrophobicContact CE1-CB 3.94Å; F465-M538 HydrophobicContact CE2-CB 4.26Å; F465-M538 HydrophobicContact CG-CE 3.7Å; F465-M538 HydrophobicContact CZ-CB 3.89Å; F465-L544 HydrophobicContact CD2-CD1 3.86Å; F465-L544 HydrophobicContact CE2-CD1 3.4Å; F465-L544 HydrophobicContact CZ-CD1 4.41Å
466P93.7Very high88.6Confident50 Ų5064.9 Ų64.933%0.32532%0.324SS..  trans-68.3167.3175.728.9-35.6000111.5N426 V463 G468 A469N426-P466 PolarHBondContact ND2-O 2.96Å; V463-P466 HydrophobicContact CG1-CB 4.18Å; P466-G468 PolarHBondContact O-N 2.76Å; P466-A469 HydrophobicContact CG-CB 4.24Å; P466-A469 WeakPolarHBondContact O-CB 3.33Å; P466-A469 PolarHBondContact O-N 2.89Å
467R91.1Very high90.7Very high105 Ų10558 Ų5840%0.39629%0.286SS..THydrogen-bonded Turntrans-58.9134.1166.7-179.6177.8-178.3103.6-7.4109.2V252 Y425 L427 P429 A469V252-R467 PolarHBondContact O-NH2 2.86Å; Y425-R467 HydrophobicContact CE1-CG 4.4Å; Y425-R467 WeakPolarHBondContact OH-CG 3.28Å; Y425-R467 PolarHBondContact OH-NE 2.9Å; L427-R467 PolarHBondContact O-NH1 3.31Å; P429-R467 HydrophobicContact CG-CB 4.17Å; R467-A469 VanDerWaalsContact C-N 3.27Å; R467-A469 PolarHBondContact O-N 3.02Å
468G92.8Very high92.5Very high29 Ų2958 Ų5830%0.29929%0.285SS..THydrogen-bonded Turntrans76.48-174.900000115.3Y425 N426 P466 I470Y425-G468 VanDerWaalsContact CZ-CA 3.41Å; N426-G468 PolarHBondContact O-N 3.24Å; P466-G468 PolarHBondContact O-N 2.76Å; G468-I470 PolarHBondContact O-N 2.79Å
469A95.2Very high93.3Very high8 Ų855.8 Ų55.87%0.06627%0.27CS..  trans-56.6140.1161.900000109.7N426 F465 P466 R467N426-A469 HydrophobicContact CB-CB 4.1Å; N426-A469 WeakPolarHBondContact CB-O 3.3Å; N426-A469 PolarHBondContact N-O 2.85Å; F465-A469 HydrophobicContact CB-CB 4.22Å; F465-A469 HydrophobicContact CD1-CB 4.25Å; P466-A469 HydrophobicContact CG-CB 4.24Å; P466-A469 WeakPolarHBondContact O-CB 3.33Å; P466-A469 PolarHBondContact O-N 2.89Å; R467-A469 VanDerWaalsContact C-N 3.27Å; R467-A469 PolarHBondContact O-N 3.02Å
470I95.6Very high93.6Very high58 Ų5854.3 Ų54.330%0.29727%0.271SS..EExtended strand (participates in β ladder)trans-81.7147.9176.160.7173.5000110.3D424 G468 Q473D424-I470 CarbonylContact O-C 3.47Å; D424-I470 VanDerWaalsContact O-CA 3.23Å; D424-I470 WeakPolarHBondContact O-CA 3.29Å; G468-I470 PolarHBondContact O-N 2.79Å; I470-Q473 WeakPolarHBondContact O-CB 3.27Å
471F95Very high93.5Very high11 Ų1159 Ų595%0.04829%0.285CS..EExtended strand (participates in β ladder)trans-129.2149.7166.769.4-94.1000112D424 N426 M538 D539 G542D424-F471 HydrophobicContact CB-CD1 4.15Å; D424-F471 HydrophobicContact CB-CD2 4.1Å; D424-F471 HydrophobicContact CB-CE1 3.71Å; D424-F471 HydrophobicContact CB-CE2 3.66Å; D424-F471 HydrophobicContact CB-CG 4.34Å; D424-F471 HydrophobicContact CB-CZ 3.45Å; D424-F471 VanDerWaalsContact CB-CZ 3.45Å; D424-F471 PolarHBondContact N-O 2.96Å; D424-F471 PolarHBondContact O-N 3Å; N426-F471 HydrophobicContact CB-CD1 4.44Å; F471-M538 HydrophobicContact CB-CB 4.09Å; F471-M538 HydrophobicContact CB-CG 3.61Å; F471-M538 HydrophobicContact CB-SD 3.72Å; F471-M538 HydrophobicContact CD1-CG 4.49Å; F471-M538 HydrophobicContact CD1-SD 3.85Å; F471-M538 HydrophobicContact CG-CG 4.09Å; F471-M538 HydrophobicContact CG-SD 4.01Å; F471-D539 WeakPolarHBondContact CD2-O 3.4Å; F471-G542 VanDerWaalsContact CE2-CA 3.49Å
472P94.3Very high93.4Very high27 Ų2754 Ų5418%0.17527%0.266CS..SBendcis-69.9142.12.932.4-40.5000113.8M538P472-M538 CarbonylContact C-O 3.59Å; P472-M538 WeakPolarHBondContact CA-O 3.47Å
473Q94.2Very high93.3Very high53 Ų5353.2 Ų53.225%0.24826%0.264CS..EExtended strand (participates in β ladder)trans-150.5134.1177.9179.3173.375.900111.9F465 I470 R475 M538F465-Q473 HydrophobicContact CE1-CB 4.04Å; F465-Q473 HydrophobicContact CE1-CG 4.04Å; F465-Q473 WeakPolarHBondContact CZ-O 3.26Å; I470-Q473 WeakPolarHBondContact O-CB 3.27Å; Q473-R475 HydrophobicContact CG-CG 4.39Å; Q473-M538 PolarHBondContact N-O 3.48Å; Q473-M538 PolarHBondContact O-N 3.27Å
474K95Very high93.2Very high138 Ų13853.3 Ų53.360%0.627%0.265SS*.EExtended strand (participates in β ladder)trans-90.9138.7172.5-64.8178.8-177.81790110.4F536 I537K474-F536 WeakPolarHBondContact CA-O 3.32Å; K474-I537 HydrophobicContact CG-CB 4.28Å; K474-I537 HydrophobicContact CG-CD1 3.95Å; K474-I537 HydrophobicContact CG-CG1 4.02Å
475R95.4Very high93.2Very high91 Ų9156.5 Ų56.534%0.34328%0.282SS..EExtended strand (participates in β ladder)trans-142.8156.4171-72.2-170.7177.1-142.2-4.8110.3L464 F465 Q473 F536L464-R475 HydrophobicContact CD1-CB 3.73Å; L464-R475 HydrophobicContact CG-CB 4.43Å; L464-R475 WeakPolarHBondContact O-CD 3.47Å; L464-R475 VanDerWaalsContact O-CZ 3.23Å; L464-R475 PolarHBondContact O-NE 2.85Å; L464-R475 PolarHBondContact O-NH1 3.02Å; F465-R475 HydrophobicContact CD1-CG 4.44Å; F465-R475 HydrophobicContact CE1-CB 4.29Å; F465-R475 HydrophobicContact CE1-CG 3.79Å; F465-R475 HydrophobicContact CZ-CB 3.95Å; F465-R475 HydrophobicContact CZ-CG 3.98Å; Q473-R475 HydrophobicContact CG-CG 4.39Å; R475-F536 PolarHBondContact N-O 2.95Å; R475-F536 CarbonylContact O-C 3.6Å; R475-F536 WeakPolarHBondContact O-CA 3.42Å; R475-F536 PolarHBondContact O-N 2.89Å
476A94.1Very high93.1Very high42 Ų4256.9 Ų56.935%0.34728%0.284SS..EExtended strand (participates in β ladder)trans-133.7144.7174.700000110.5K533 A534A476-K533 HydrophobicContact CB-CD 4.42Å; A476-K533 VanDerWaalsContact CB-CE 3.42Å; A476-K533 HydrophobicContact CB-CG 4.15Å; A476-A534 CarbonylContact C-O 3.57Å; A476-A534 WeakPolarHBondContact CA-O 3.45Å; A476-A534 WeakPolarHBondContact CB-O 3.35Å
477I93.8Very high93.1Very high1 Ų158.3 Ų58.31%0.00529%0.289CS..EExtended strand (participates in β ladder)trans-110.6139.4173.5-173.3166.4000109.3V432 F434 Q462 F479 K533 A534 F536V432-I477 HydrophobicContact CB-CD1 3.67Å; V432-I477 HydrophobicContact CG1-CD1 3.94Å; V432-I477 HydrophobicContact CG2-CD1 4.07Å; F434-I477 HydrophobicContact CD1-CD1 4.39Å; F434-I477 HydrophobicContact CE1-CD1 3.9Å; Q462-I477 HydrophobicContact CB-CD1 3.79Å; Q462-I477 HydrophobicContact CG-CD1 4.08Å; I477-F479 HydrophobicContact CD1-CE1 4.25Å; I477-F479 HydrophobicContact CD1-CZ 4.4Å; I477-F479 HydrophobicContact CG1-CE1 4.49Å; I477-F479 HydrophobicContact CG1-CZ 4.45Å; I477-F479 HydrophobicContact CG2-CE1 4.45Å; I477-F479 HydrophobicContact CG2-CE2 3.72Å; I477-F479 HydrophobicContact CG2-CZ 3.64Å; I477-K533 CarbonylContact O-C 3.52Å; I477-K533 VanDerWaalsContact O-CA 3.28Å; I477-K533 WeakPolarHBondContact O-CA 3.31Å; I477-A534 HydrophobicContact CG2-CB 3.83Å; I477-A534 PolarHBondContact N-O 2.65Å; I477-A534 PolarHBondContact O-N 3.07Å; I477-F536 HydrophobicContact CG2-CD2 4.34Å; I477-F536 HydrophobicContact CG2-CE2 3.8Å
478K93.9Very high93.3Very high111 Ų11153.3 Ų53.348%0.48327%0.27SS..EExtended strand (participates in β ladder)trans-109.5118.3177.5-65.4-179.6-176.8174.70109.3N480 V532 K533 I552K478-N480 PolarHBondContact O-N 3.14Å; K478-V532 CarbonylContact C-O 3.4Å; K478-V532 WeakPolarHBondContact CA-O 3.47Å; K478-K533 HydrophobicContact CG-CD 4.39Å; K478-K533 HydrophobicContact CG-CG 4.17Å; K478-I552 HydrophobicContact CB-CD1 4.38Å; K478-I552 HydrophobicContact CD-CD1 4.17Å; K478-I552 HydrophobicContact CG-CD1 4.01Å
479F93.7Very high93.4Very high0 Ų056.2 Ų56.20%027%0.273CS..EExtended strand (participates in β ladder)trans-88.780.9170.4-52.3-81000108.5V432 F434 I477 H482 L486 F488 G531 V532 A534V432-F479 HydrophobicContact CG1-CE1 4.2Å; V432-F479 HydrophobicContact CG1-CZ 4.17Å; F434-F479 HydrophobicContact CB-CD1 4.17Å; F434-F479 HydrophobicContact CB-CE1 3.89Å; F434-F479 HydrophobicContact CD1-CD1 4.04Å; F434-F479 AromaticContact CD1-CE1 3.7Å; F434-F479 HydrophobicContact CD1-CE1 3.7Å; F434-F479 AromaticContact CD2-CD1 3.62Å; F434-F479 HydrophobicContact CD2-CD1 3.62Å; F434-F479 HydrophobicContact CD2-CE1 4.08Å; F434-F479 HydrophobicContact CE1-CD1 4.31Å; F434-F479 HydrophobicContact CE1-CE1 4.2Å; F434-F479 AromaticContact CE2-CD1 3.92Å; F434-F479 HydrophobicContact CE2-CD1 3.92Å; F434-F479 AromaticContact CG-CD1 3.68Å; F434-F479 HydrophobicContact CG-CD1 3.68Å; F434-F479 AromaticContact CG-CE1 3.63Å; F434-F479 HydrophobicContact CG-CE1 3.63Å; F434-F479 HydrophobicContact CZ-CD1 4.24Å; I477-F479 HydrophobicContact CD1-CE1 4.25Å; I477-F479 HydrophobicContact CD1-CZ 4.4Å; I477-F479 HydrophobicContact CG1-CE1 4.49Å; I477-F479 HydrophobicContact CG1-CZ 4.45Å; I477-F479 HydrophobicContact CG2-CE1 4.45Å; I477-F479 HydrophobicContact CG2-CE2 3.72Å; I477-F479 HydrophobicContact CG2-CZ 3.64Å; F479-H482 HydrophobicContact CB-CB 4.24Å; F479-H482 PolarHBondContact O-N 2.8Å; F479-L486 HydrophobicContact CB-CD1 4.39Å; F479-L486 HydrophobicContact CB-CD2 4.26Å; F479-L486 HydrophobicContact CD1-CD1 3.84Å; F479-L486 HydrophobicContact CD2-CD1 4.26Å; F479-L486 HydrophobicContact CE1-CD1 4.12Å; F479-L486 HydrophobicContact CE2-CD1 4.5Å; F479-L486 HydrophobicContact CG-CD1 3.91Å; F479-L486 HydrophobicContact CG-CD2 4.4Å; F479-L486 HydrophobicContact CZ-CD1 4.43Å; F479-F488 HydrophobicContact CE1-CB 4.02Å; F479-F488 HydrophobicContact CE1-CD1 4.07Å; F479-F488 AromaticContact CE1-CG 3.99Å; F479-F488 HydrophobicContact CE1-CG 3.99Å; F479-F488 AromaticContact CE2-CD1 3.98Å; F479-F488 HydrophobicContact CE2-CD1 3.98Å; F479-F488 AromaticContact CE2-CE1 3.81Å; F479-F488 HydrophobicContact CE2-CE1 3.81Å; F479-F488 HydrophobicContact CE2-CG 4.48Å; F479-F488 HydrophobicContact CE2-CZ 4.22Å; F479-F488 HydrophobicContact CZ-CB 4.15Å; F479-F488 AromaticContact CZ-CD1 3.51Å; F479-F488 HydrophobicContact CZ-CD1 3.51Å; F479-F488 AromaticContact CZ-CD2 3.96Å; F479-F488 HydrophobicContact CZ-CD2 3.96Å; F479-F488 AromaticContact CZ-CE1 3.74Å; F479-F488 HydrophobicContact CZ-CE1 3.74Å; F479-F488 HydrophobicContact CZ-CE2 4.19Å; F479-F488 AromaticContact CZ-CG 3.6Å; F479-F488 HydrophobicContact CZ-CG 3.6Å; F479-F488 HydrophobicContact CZ-CZ 4.06Å; F479-G531 VanDerWaalsContact O-CA 3.28Å; F479-G531 WeakPolarHBondContact O-CA 3.43Å; F479-V532 HydrophobicContact CB-CB 4.3Å; F479-V532 HydrophobicContact CD2-CB 4.21Å; F479-V532 HydrophobicContact CD2-CG1 4.19Å; F479-V532 PolarHBondContact N-O 2.84Å; F479-V532 PolarHBondContact O-N 2.83Å; F479-V532 VanDerWaalsContact O-N 3.09Å; F479-A534 HydrophobicContact CE2-CB 3.76Å; F479-A534 HydrophobicContact CZ-CB 4.48Å
480N90.6Very high93.3Very high104 Ų10455.9 Ų55.956%0.55627%0.27SS*.EExtended strand (participates in β ladder)trans-59.5139.9-176.8-65.5-36000111K478 H482K478-N480 PolarHBondContact O-N 3.14Å; N480-H482 PolarHBondContact O-CD2 3.22Å; N480-H482 PolarHBondContact O-N 2.98Å; N480-H482 VanDerWaalsContact O-N 3.13Å
481R88.5Confident93.2Very high132 Ų13253.2 Ų53.250%0.49826%0.256SS..THydrogen-bonded Turntrans66.7-1177.6-50.4175.6179.7-161.1-5116.2A437 D443 I483 R530A437-R481 HydrophobicContact CB-CB 3.73Å; D443-R481 IonicContact OD2-CZ 2.72Å; D443-R481 IonicContact OD2-NH1 3.31Å; D443-R481 PolarHBondContact OD2-NH1 3.45Å; R481-I483 PolarHBondContact O-N 3.03Å; R481-I483 VanDerWaalsContact O-N 3.16Å; R481-R530 PolarHBondContact N-O 2.83Å
482H90.2Very high93Very high17 Ų1753.1 Ų53.18%0.07926%0.256CS..  trans-72.1108.8170.7-72.4-95.6000110.4M435 A437 F479 N480 L486 G531 V532M435-H482 PolarHBondContact O-CE1 2.95Å; M435-H482 PolarHBondContact O-NE2 3.37Å; M435-H482 VanDerWaalsContact O-NE2 3.09Å; A437-H482 PolarHBondContact N-CE1 3.43Å; A437-H482 PolarHBondContact N-NE2 2.86Å; A437-H482 VanDerWaalsContact N-NE2 3.13Å; F479-H482 HydrophobicContact CB-CB 4.24Å; F479-H482 PolarHBondContact O-N 2.8Å; N480-H482 PolarHBondContact O-CD2 3.22Å; N480-H482 PolarHBondContact O-N 2.98Å; N480-H482 VanDerWaalsContact O-N 3.13Å; H482-L486 HydrophobicContact CB-CD2 3.68Å; H482-G531 CarbonylContact O-C 3.55Å; H482-G531 WeakPolarHBondContact O-CA 3.23Å; H482-V532 HydrophobicContact CB-CG2 4.45Å
483I89.9Confident92.6Very high65 Ų6553.3 Ų53.333%0.33326%0.256SS..  trans-115.810.417859.5171.4000112.4L440 R481 S518 A521 P529L440-I483 HydrophobicContact CD2-CD1 4.08Å; R481-I483 PolarHBondContact O-N 3.03Å; R481-I483 VanDerWaalsContact O-N 3.16Å; I483-S518 WeakPolarHBondContact O-CA 3.3Å; I483-S518 PolarHBondContact O-OG 3.39Å; I483-A521 HydrophobicContact CB-CB 4.41Å; I483-P529 HydrophobicContact CG2-CB 4.18Å; I483-P529 HydrophobicContact CG2-CG 4.14Å
484T92Very high91.3Very high70 Ų7055.2 Ų55.243%0.42927%0.268SS..SBendtrans-127.6164.3173.761.20000109.4L486 V517 S518T484-L486 PolarHBondContact O-N 2.85Å; T484-V517 VanDerWaalsContact C-CB 3.47Å; T484-V517 WeakPolarHBondContact O-CG1 3.37Å; T484-S518 WeakPolarHBondContact CA-OG 3.48Å
485D93Very high89.8Confident75 Ų7550.4 Ų50.440%0.40125%0.248SC..  trans-51.7135171.1-67.22.5000108.3T514 N516 V517D485-T514 WeakPolarHBondContact CB-O 3.14Å; D485-N516 PolarHBondContact OD1-N 3.23Å; D485-N516 PolarHBondContact OD2-N 3.35Å; D485-V517 WeakPolarHBondContact OD1-CB 3.44Å; D485-V517 WeakPolarHBondContact OD1-CG2 3.31Å; D485-V517 PolarHBondContact OD1-N 3.1Å
486L93Very high87.9Confident8 Ų854.2 Ų54.24%0.04228%0.275CS..  trans-133.3150.1-17779.1115.6000110.8F479 H482 T484 F488 T514 V532F479-L486 HydrophobicContact CB-CD1 4.39Å; F479-L486 HydrophobicContact CB-CD2 4.26Å; F479-L486 HydrophobicContact CD1-CD1 3.84Å; F479-L486 HydrophobicContact CD2-CD1 4.26Å; F479-L486 HydrophobicContact CE1-CD1 4.12Å; F479-L486 HydrophobicContact CE2-CD1 4.5Å; F479-L486 HydrophobicContact CG-CD1 3.91Å; F479-L486 HydrophobicContact CG-CD2 4.4Å; F479-L486 HydrophobicContact CZ-CD1 4.43Å; H482-L486 HydrophobicContact CB-CD2 3.68Å; T484-L486 PolarHBondContact O-N 2.85Å; L486-F488 HydrophobicContact CD1-CB 4.41Å; L486-F488 HydrophobicContact CD1-CD1 3.65Å; L486-F488 HydrophobicContact CD1-CE1 4.45Å; L486-F488 HydrophobicContact CD1-CG 4.48Å; L486-T514 HydrophobicContact CD2-CG2 4.39Å; L486-T514 HydrophobicContact CG-CG2 4.26Å; L486-T514 PolarHBondContact N-OG1 3.46Å; L486-T514 PolarHBondContact O-N 3.16Å; L486-T514 PolarHBondContact O-OG1 3.01Å; L486-V532 HydrophobicContact CD2-CB 3.78Å; L486-V532 HydrophobicContact CD2-CG1 4.14Å; L486-V532 HydrophobicContact CD2-CG2 3.72Å
487D94.3Very high86.3Confident80 Ų8055 Ų5543%0.42829%0.288SS..EExtended strand (participates in β ladder)trans-108.8137.2174.3-67.1-74.2000109.5H511 I512 T513D487-H511 WeakPolarHBondContact CB-NE2 3.18Å; D487-H511 IonicContact OD1-CE1 3.87Å; D487-H511 PolarHBondContact OD1-CE1 2.95Å; D487-H511 VanDerWaalsContact OD1-CE1 3.25Å; D487-H511 IonicContact OD1-NE2 2.83Å; D487-H511 PolarHBondContact OD1-NE2 3.46Å; D487-I512 WeakPolarHBondContact CA-O 3.45Å; D487-T513 VanDerWaalsContact OD1-CB 3.27Å; D487-T513 WeakPolarHBondContact OD1-CB 3.43Å; D487-T513 VanDerWaalsContact OD1-CG2 3.3Å; D487-T513 WeakPolarHBondContact OD1-CG2 3.04Å; D487-T513 PolarHBondContact OD1-OG1 3.11Å
488F94.9Very high84.7Confident0 Ų059.4 Ų59.40%031%0.311CS..EExtended strand (participates in β ladder)trans-143.9149.6171.962.9-92.2000111.4V432 D433 F434 F479 L486 V490 I512 T514 A534 F536 L546V432-F488 HydrophobicContact CG1-CB 4.07Å; V432-F488 HydrophobicContact CG1-CD2 3.61Å; V432-F488 HydrophobicContact CG1-CE2 4.42Å; V432-F488 HydrophobicContact CG1-CG 4.14Å; D433-F488 CarbonylContact O-C 3.54Å; D433-F488 WeakPolarHBondContact O-CA 3.45Å; F434-F488 HydrophobicContact CB-CB 3.75Å; F479-F488 HydrophobicContact CE1-CB 4.02Å; F479-F488 HydrophobicContact CE1-CD1 4.07Å; F479-F488 AromaticContact CE1-CG 3.99Å; F479-F488 HydrophobicContact CE1-CG 3.99Å; F479-F488 AromaticContact CE2-CD1 3.98Å; F479-F488 HydrophobicContact CE2-CD1 3.98Å; F479-F488 AromaticContact CE2-CE1 3.81Å; F479-F488 HydrophobicContact CE2-CE1 3.81Å; F479-F488 HydrophobicContact CE2-CG 4.48Å; F479-F488 HydrophobicContact CE2-CZ 4.22Å; F479-F488 HydrophobicContact CZ-CB 4.15Å; F479-F488 AromaticContact CZ-CD1 3.51Å; F479-F488 HydrophobicContact CZ-CD1 3.51Å; F479-F488 AromaticContact CZ-CD2 3.96Å; F479-F488 HydrophobicContact CZ-CD2 3.96Å; F479-F488 AromaticContact CZ-CE1 3.74Å; F479-F488 HydrophobicContact CZ-CE1 3.74Å; F479-F488 HydrophobicContact CZ-CE2 4.19Å; F479-F488 AromaticContact CZ-CG 3.6Å; F479-F488 HydrophobicContact CZ-CG 3.6Å; F479-F488 HydrophobicContact CZ-CZ 4.06Å; L486-F488 HydrophobicContact CD1-CB 4.41Å; L486-F488 HydrophobicContact CD1-CD1 3.65Å; L486-F488 HydrophobicContact CD1-CE1 4.45Å; L486-F488 HydrophobicContact CD1-CG 4.48Å; F488-V490 HydrophobicContact CD2-CG2 4.29Å; F488-V490 HydrophobicContact CE2-CG2 4.25Å; F488-I512 HydrophobicContact CD1-CB 4.23Å; F488-I512 HydrophobicContact CD1-CG2 4.43Å; F488-I512 HydrophobicContact CD2-CB 4.02Å; F488-I512 HydrophobicContact CD2-CD1 3.98Å; F488-I512 HydrophobicContact CD2-CG1 4.38Å; F488-I512 HydrophobicContact CE1-CB 3.8Å; F488-I512 HydrophobicContact CE1-CG2 3.62Å; F488-I512 HydrophobicContact CE2-CB 3.51Å; F488-I512 HydrophobicContact CE2-CD1 3.57Å; F488-I512 HydrophobicContact CE2-CG1 3.68Å; F488-I512 HydrophobicContact CE2-CG2 4.03Å; F488-I512 HydrophobicContact CG-CB 4.36Å; F488-I512 HydrophobicContact CZ-CB 3.43Å; F488-I512 VanDerWaalsContact CZ-CB 3.43Å; F488-I512 HydrophobicContact CZ-CD1 4.33Å; F488-I512 HydrophobicContact CZ-CG1 3.91Å; F488-I512 HydrophobicContact CZ-CG2 3.39Å; F488-I512 PolarHBondContact N-O 2.85Å; F488-I512 PolarHBondContact O-N 2.84Å; F488-T514 HydrophobicContact CE1-CG2 4.16Å; F488-A534 HydrophobicContact CZ-CB 3.98Å; F488-F536 HydrophobicContact CE2-CE2 4.5Å; F488-F536 AromaticContact CE2-CZ 3.84Å; F488-F536 HydrophobicContact CE2-CZ 3.84Å; F488-F536 HydrophobicContact CZ-CZ 4.46Å; F488-L546 HydrophobicContact CZ-CD2 4.48Å
489Y94.1Very high83.3Confident90 Ų9055.9 Ų55.935%0.35330%0.303SS..EExtended strand (participates in β ladder)trans-107.4142-180-67.6-95.4000109.8V432 D433 S510 H511 L666V432-Y489 CarbonylContact C-O 3.57Å; V432-Y489 VanDerWaalsContact CA-O 3.24Å; V432-Y489 WeakPolarHBondContact CA-O 3.34Å; D433-Y489 PolarHBondContact N-O 3.18Å; D433-Y489 PolarHBondContact O-N 2.9Å; Y489-S510 CarbonylContact C-O 3.53Å; Y489-S510 WeakPolarHBondContact CA-O 3.3Å; Y489-H511 HydrophobicContact CD1-CB 3.98Å; Y489-H511 AromaticContact CD1-CD2 3.91Å; Y489-H511 HydrophobicContact CE1-CB 3.8Å; Y489-H511 AromaticContact CE1-CD2 3.5Å; Y489-H511 AromaticContact CE1-CG 3.81Å; Y489-H511 AromaticContact CE2-CD2 3.6Å; Y489-H511 AromaticContact CZ-CD2 3.31Å; Y489-H511 AromaticContact CZ-CG 3.99Å; Y489-H511 AromaticContact CZ-NE2 3.81Å; Y489-L666 HydrophobicContact CD1-CD1 3.98Å; Y489-L666 HydrophobicContact CE1-CD1 4.01Å
490V94.4Very high82.1Confident0 Ų056.4 Ų56.40%031%0.306CS..EExtended strand (participates in β ladder)trans-113.4122.8173-177.30000107.6I430 A431 V432 F488 L509 S510 I512 F536 L544I430-V490 HydrophobicContact CG2-CG1 3.52Å; A431-V490 WeakPolarHBondContact O-CA 3.46Å; V432-V490 HydrophobicContact CG2-CG2 4.27Å; F488-V490 HydrophobicContact CD2-CG2 4.29Å; F488-V490 HydrophobicContact CE2-CG2 4.25Å; V490-L509 HydrophobicContact CG1-CD1 4.4Å; V490-L509 WeakPolarHBondContact O-CA 3.47Å; V490-L509 WeakPolarHBondContact O-CB 3.22Å; V490-L509 PolarHBondContact O-N 3.44Å; V490-S510 PolarHBondContact N-O 2.84Å; V490-S510 PolarHBondContact O-N 3.2Å; V490-S510 VanDerWaalsContact O-N 3.08Å; V490-I512 HydrophobicContact CB-CD1 4.5Å; V490-I512 HydrophobicContact CG2-CD1 3.57Å; V490-F536 HydrophobicContact CG2-CE1 3.97Å; V490-F536 HydrophobicContact CG2-CZ 3.86Å; V490-L544 HydrophobicContact CG1-CD2 3.47Å; V490-L544 VanDerWaalsContact CG1-CD2 3.47Å
491N92Very high81.3Confident3 Ų356.9 Ų56.92%0.01630%0.301CS..EExtended strand (participates in β ladder)trans-137.3153.5-166.2-49.4-38.6000110.3I430 A431 D433 Y507 N508I430-N491 CarbonylContact C-O 3.53Å; I430-N491 WeakPolarHBondContact CA-O 3.44Å; A431-N491 PolarHBondContact N-O 2.69Å; A431-N491 PolarHBondContact O-N 3.25Å; D433-N491 PolarHBondContact OD2-ND2 3.5Å; N491-Y507 CarbonylContact C-O 3.48Å; N491-Y507 WeakPolarHBondContact CA-O 3.34Å; N491-Y507 WeakPolarHBondContact CB-O 3.33Å; N491-N508 WeakPolarHBondContact OD1-CA 3.32Å; N491-N508 WeakPolarHBondContact OD1-CB 3.34Å; N491-N508 VanDerWaalsContact OD1-CG 3.28Å; N491-N508 PolarHBondContact OD1-OD1 3.24Å
492Y90.9Very high80.7Confident9 Ų951.6 Ų51.64%0.03528%0.281CS..EExtended strand (participates in β ladder)trans-63.3144.6159.8-70.6-54.2000109.7G166 Q167 Y428 P429 I430 Q503 Y507 L509G166-Y492 VanDerWaalsContact CA-OH 3.24Å; G166-Y492 WeakPolarHBondContact CA-OH 3.31Å; Q167-Y492 HydrophobicContact CG-CE1 4.47Å; Q167-Y492 WeakPolarHBondContact CG-OH 3.44Å; Q167-Y492 PolarHBondContact N-OH 2.92Å; Y428-Y492 VanDerWaalsContact CB-CE1 3.48Å; Y428-Y492 HydrophobicContact CD2-CE1 4.22Å; Y428-Y492 HydrophobicContact CG-CE1 4.16Å; P429-Y492 WeakPolarHBondContact O-CA 3.45Å; I430-Y492 HydrophobicContact CD1-CE1 4.49Å; I430-Y492 HydrophobicContact CG1-CD1 4.04Å; I430-Y492 HydrophobicContact CG1-CE1 4.16Å; Y492-Q503 HydrophobicContact CD2-CB 4.42Å; Y492-Y507 PolarHBondContact N-O 3.15Å; Y492-L509 HydrophobicContact CD1-CD1 4.23Å; Y492-L509 HydrophobicContact CD2-CD2 3.87Å; Y492-L509 HydrophobicContact CD2-CG 4.37Å; Y492-L509 HydrophobicContact CE1-CD1 4.14Å; Y492-L509 HydrophobicContact CE1-CD2 4.34Å; Y492-L509 HydrophobicContact CE2-CD2 3.47Å; Y492-L509 VanDerWaalsContact CE2-CD2 3.47Å; Y492-L509 HydrophobicContact CE2-CG 4.37Å; Y492-L509 HydrophobicContact CG-CD1 4.5Å; Y492-L509 HydrophobicContact CG-CD2 4.48Å
493V86.2Confident79.7Confident31 Ų3151.9 Ų51.919%0.18828%0.282CS..PPolyproline II helixtrans-83131.1169.8-178.30000107.9P429 A431 V463 H495P429-V493 HydrophobicContact CB-CB 3.93Å; P429-V493 HydrophobicContact CB-CG2 4.01Å; P429-V493 HydrophobicContact CG-CB 4Å; P429-V493 PolarHBondContact O-N 3.22Å; A431-V493 HydrophobicContact CB-CG2 3.46Å; A431-V493 VanDerWaalsContact CB-CG2 3.46Å; V463-V493 HydrophobicContact CG2-CG2 4.27Å; V493-H495 PolarHBondContact O-N 3.31Å
494D68.3Low78.5Confident93 Ų9349.9 Ų49.950%0.49728%0.278SS..PPolyproline II helixtrans-49.6128.9179.8-63.8-51.8000111.3R461R461-D494 IonicContact NH1-OD2 3.72Å
495H62.6Low76.9Confident37 Ų3751.8 Ų51.817%0.17129%0.285CS..PPolyproline II helixtrans-98.1136.2168.4-76.4-82.6000109.8Y428 P429 V493 G497 Q503Y428-H495 AromaticContact CD1-NE2 3.96Å; P429-H495 WeakPolarHBondContact CD-CE1 3.4Å; P429-H495 WeakPolarHBondContact CD-NE2 3.44Å; V493-H495 PolarHBondContact O-N 3.31Å; H495-G497 PolarHBondContact O-N 3.47Å; H495-Q503 PolarHBondContact CD2-NE2 3.12Å; H495-Q503 PolarHBondContact NE2-NE2 2.66Å
496D55.9Low75.5Confident171 Ų17152.4 Ų52.491%0.91429%0.288SS*.SBendtrans-63.6129.7167.4-69.7-36.7000110.7
497G61.1Low74.7Confident59 Ų5955.9 Ų55.961%0.60830%0.301SS*.SBendtrans95.8-162.4164.500000117H495 A499 A500H495-G497 PolarHBondContact O-N 3.47Å; G497-A499 PolarHBondContact O-N 3.34Å; G497-A500 PolarHBondContact O-N 3.27Å
498D60.1Low74.3Confident93 Ų9355.3 Ų55.350%0.49730%0.298SS..THydrogen-bonded Turntrans-61.9-8.3-170.9-106.48.3000115.3R501 F502D498-R501 VanDerWaalsContact CG-CZ 3.4Å; D498-R501 VanDerWaalsContact O-CG 3.24Å; D498-R501 WeakPolarHBondContact O-CG 3.24Å; D498-R501 PolarHBondContact O-NE 2.5Å; D498-R501 IonicContact OD1-CZ 3.73Å; D498-R501 IonicContact OD1-NH1 3.78Å; D498-R501 PolarHBondContact OD1-NH1 3.38Å; D498-R501 IonicContact OD1-NH2 2.63Å; D498-R501 IonicContact OD2-CZ 3.99Å; D498-R501 IonicContact OD2-NH1 3.62Å; D498-R501 PolarHBondContact OD2-NH1 3.46Å; D498-R501 IonicContact OD2-NH2 3.58Å; D498-R501 PolarHBondContact OD2-NH2 3.43Å; D498-F502 VanDerWaalsContact O-CD2 3.27Å; D498-F502 WeakPolarHBondContact O-CD2 3.39Å; D498-F502 WeakPolarHBondContact O-CE2 3.22Å
499A64.4Low74.1Confident37 Ų3755.5 Ų55.531%0.30630%0.299SS..THydrogen-bonded Turntrans-79.4-3417900000112.6G497 R501 F502G497-A499 PolarHBondContact O-N 3.34Å; A499-R501 VanDerWaalsContact C-N 3.28Å; A499-R501 PolarHBondContact O-N 2.7Å; A499-F502 PolarHBondContact O-N 3.38Å; A499-F502 VanDerWaalsContact O-N 3.08Å
500A68.3Low74Confident10 Ų1051.7 Ų51.78%0.08329%0.286CS..G310 helixtrans-60.4-36-175.700000112.6G497 F502 Q503 Y507G497-A500 PolarHBondContact O-N 3.27Å; A500-F502 PolarHBondContact O-N 3.27Å; A500-F502 VanDerWaalsContact O-N 3.11Å; A500-Q503 WeakPolarHBondContact O-CB 3.45Å; A500-Q503 PolarHBondContact O-N 3.33Å; A500-Y507 HydrophobicContact CB-CE1 4.38Å
501R72.9Confident74Confident115 Ų11553.3 Ų53.343%0.43429%0.293SS..G310 helixtrans-64-17.1178.265.6172.8-175-139.9-9.2114.7P96 D498 A499P96-R501 WeakPolarHBondContact CD-O 3.1Å; P96-R501 HydrophobicContact CG-CB 4.04Å; P96-R501 HydrophobicContact CG-CG 3.95Å; P96-R501 WeakPolarHBondContact CG-O 3.31Å; D498-R501 VanDerWaalsContact CG-CZ 3.4Å; D498-R501 VanDerWaalsContact O-CG 3.24Å; D498-R501 WeakPolarHBondContact O-CG 3.24Å; D498-R501 PolarHBondContact O-NE 2.5Å; D498-R501 IonicContact OD1-CZ 3.73Å; D498-R501 IonicContact OD1-NH1 3.78Å; D498-R501 PolarHBondContact OD1-NH1 3.38Å; D498-R501 IonicContact OD1-NH2 2.63Å; D498-R501 IonicContact OD2-CZ 3.99Å; D498-R501 IonicContact OD2-NH1 3.62Å; D498-R501 PolarHBondContact OD2-NH1 3.46Å; D498-R501 IonicContact OD2-NH2 3.58Å; D498-R501 PolarHBondContact OD2-NH2 3.43Å; A499-R501 VanDerWaalsContact C-N 3.28Å; A499-R501 PolarHBondContact O-N 2.7Å
502F75.6Confident74.2Confident21 Ų2153.2 Ų53.29%0.09229%0.293CS..G310 helixtrans-94.40.2177.4-64-80.9000112.9H95 P96 M97 P256 T257 D498 A499 A500 G504H95-F502 PolarHBondContact NE2-O 2.93Å; P96-F502 HydrophobicContact CB-CD1 4.1Å; P96-F502 HydrophobicContact CB-CE1 3.65Å; P96-F502 HydrophobicContact CB-CZ 4.18Å; P96-F502 HydrophobicContact CG-CD1 4.32Å; P96-F502 HydrophobicContact CG-CE1 4.25Å; M97-F502 HydrophobicContact CG-CD1 4.06Å; M97-F502 HydrophobicContact CG-CE1 4.17Å; M97-F502 HydrophobicContact SD-CD1 4.22Å; M97-F502 HydrophobicContact SD-CE1 3.82Å; P256-F502 HydrophobicContact CB-CD1 4.44Å; P256-F502 HydrophobicContact CG-CD1 3.84Å; P256-F502 HydrophobicContact CG-CD2 3.87Å; P256-F502 HydrophobicContact CG-CE1 3.86Å; P256-F502 HydrophobicContact CG-CE2 3.88Å; P256-F502 HydrophobicContact CG-CG 3.85Å; P256-F502 HydrophobicContact CG-CZ 3.89Å; T257-F502 HydrophobicContact CG2-CE1 3.65Å; T257-F502 HydrophobicContact CG2-CZ 3.51Å; D498-F502 VanDerWaalsContact O-CD2 3.27Å; D498-F502 WeakPolarHBondContact O-CD2 3.39Å; D498-F502 WeakPolarHBondContact O-CE2 3.22Å; A499-F502 PolarHBondContact O-N 3.38Å; A499-F502 VanDerWaalsContact O-N 3.08Å; A500-F502 PolarHBondContact O-N 3.27Å; A500-F502 VanDerWaalsContact O-N 3.11Å; F502-G504 VanDerWaalsContact C-N 3.31Å
503Q69.9Low74.5Confident22 Ų2254.2 Ų54.210%0.10330%0.3CS..SBendtrans-89.11.3177.5-61.7-178.6-24.100112.9Y428 Y492 H495 A500Y428-Q503 HydrophobicContact CD1-CG 4.39Å; Y428-Q503 HydrophobicContact CE1-CG 4.15Å; Y428-Q503 VanDerWaalsContact CE1-NE2 3.25Å; Y492-Q503 HydrophobicContact CD2-CB 4.42Å; H495-Q503 PolarHBondContact CD2-NE2 3.12Å; H495-Q503 PolarHBondContact NE2-NE2 2.66Å; A500-Q503 WeakPolarHBondContact O-CB 3.45Å; A500-Q503 PolarHBondContact O-N 3.33Å
504G64.6Low74.9Confident23 Ų2352.7 Ų52.724%0.23729%0.291CS..  trans94.8171.8-173.300000113F502F502-G504 VanDerWaalsContact C-N 3.31Å
505L59Low76.2Confident111 Ų11153.4 Ų53.458%0.58129%0.287SS*.SBendtrans-75.2-28.5175.3-77168.3000112.2D94D94-L505 HydrophobicContact CB-CD1 3.88Å
506N63.5Low77.6Confident87 Ų8755.6 Ų55.647%0.46530%0.299SS..  trans-100.598.4-175.5-72.4-9.9000109.7N508 L666N506-N508 PolarHBondContact O-N 2.93Å; N506-L666 PolarHBondContact ND2-O 2.86Å
507Y76.3Confident79.4Confident82 Ų8247.4 Ų47.432%0.32226%0.256SS..  trans-63-22.3168.9-64.7-78.6000112.2N491 Y492 A500 L509N491-Y507 CarbonylContact C-O 3.48Å; N491-Y507 WeakPolarHBondContact CA-O 3.34Å; N491-Y507 WeakPolarHBondContact CB-O 3.33Å; Y492-Y507 PolarHBondContact N-O 3.15Å; A500-Y507 HydrophobicContact CB-CE1 4.38Å; Y507-L509 PolarHBondContact O-N 2.63Å
508N84.8Confident80.8Confident67 Ų6746.8 Ų46.836%0.35824%0.242SC..EExtended strand (participates in β ladder)trans-79.7117177.2-58.2-19.7000110.3N491 N506 L666 D667N491-N508 WeakPolarHBondContact OD1-CA 3.32Å; N491-N508 WeakPolarHBondContact OD1-CB 3.34Å; N491-N508 VanDerWaalsContact OD1-CG 3.28Å; N491-N508 PolarHBondContact OD1-OD1 3.24Å; N506-N508 PolarHBondContact O-N 2.93Å; N508-L666 HydrophobicContact CB-CB 4.28Å; N508-L666 HydrophobicContact CB-CD1 3.85Å; N508-L666 CarbonylContact O-C 3.48Å; N508-L666 WeakPolarHBondContact O-CB 3.21Å; N508-D667 PolarHBondContact O-N 2.91Å; N508-D667 VanDerWaalsContact O-N 3.16Å
509L90.8Very high82.3Confident4 Ų450 Ų502%0.02125%0.251CS..EExtended strand (participates in β ladder)trans-82.5-48.4178.6-61.4172.5000110.9Q167 I430 V490 Y492 Y507 Y665 L666 D667Q167-L509 HydrophobicContact CB-CD2 3.92Å; Q167-L509 HydrophobicContact CG-CD1 4.04Å; Q167-L509 HydrophobicContact CG-CD2 3.95Å; I430-L509 HydrophobicContact CD1-CD1 4.07Å; I430-L509 HydrophobicContact CG1-CD1 4.16Å; I430-L509 HydrophobicContact CG2-CD1 4.17Å; V490-L509 HydrophobicContact CG1-CD1 4.4Å; V490-L509 WeakPolarHBondContact O-CA 3.47Å; V490-L509 WeakPolarHBondContact O-CB 3.22Å; V490-L509 PolarHBondContact O-N 3.44Å; Y492-L509 HydrophobicContact CD1-CD1 4.23Å; Y492-L509 HydrophobicContact CD2-CD2 3.87Å; Y492-L509 HydrophobicContact CD2-CG 4.37Å; Y492-L509 HydrophobicContact CE1-CD1 4.14Å; Y492-L509 HydrophobicContact CE1-CD2 4.34Å; Y492-L509 HydrophobicContact CE2-CD2 3.47Å; Y492-L509 VanDerWaalsContact CE2-CD2 3.47Å; Y492-L509 HydrophobicContact CE2-CG 4.37Å; Y492-L509 HydrophobicContact CG-CD1 4.5Å; Y492-L509 HydrophobicContact CG-CD2 4.48Å; Y507-L509 PolarHBondContact O-N 2.63Å; L509-Y665 WeakPolarHBondContact O-CA 3.41Å; L509-L666 PolarHBondContact O-N 2.82Å; L509-D667 HydrophobicContact CD2-CB 4.06Å; L509-D667 VanDerWaalsContact O-OD1 3.07Å
510S92.5Very high83.6Confident11 Ų1148.6 Ų48.68%0.07724%0.24CC..EExtended strand (participates in β ladder)trans-153.1153.8-179.655.10000112.8Y489 V490 I512 V664Y489-S510 CarbonylContact C-O 3.53Å; Y489-S510 WeakPolarHBondContact CA-O 3.3Å; V490-S510 PolarHBondContact N-O 2.84Å; V490-S510 PolarHBondContact O-N 3.2Å; V490-S510 VanDerWaalsContact O-N 3.08Å; S510-I512 WeakPolarHBondContact OG-CD1 3.25Å; S510-V664 CarbonylContact C-O 3.53Å; S510-V664 WeakPolarHBondContact CA-O 3.46Å; S510-V664 WeakPolarHBondContact CB-O 3.36Å
511H94.3Very high84.5Confident33 Ų3348.6 Ų48.615%0.15324%0.24CC..EExtended strand (participates in β ladder)trans-112.5129.5169.2174.4-120.7000108.9D487 Y489 T513 A663 V664 L666D487-H511 WeakPolarHBondContact CB-NE2 3.18Å; D487-H511 IonicContact OD1-CE1 3.87Å; D487-H511 PolarHBondContact OD1-CE1 2.95Å; D487-H511 VanDerWaalsContact OD1-CE1 3.25Å; D487-H511 IonicContact OD1-NE2 2.83Å; D487-H511 PolarHBondContact OD1-NE2 3.46Å; Y489-H511 HydrophobicContact CD1-CB 3.98Å; Y489-H511 AromaticContact CD1-CD2 3.91Å; Y489-H511 HydrophobicContact CE1-CB 3.8Å; Y489-H511 AromaticContact CE1-CD2 3.5Å; Y489-H511 AromaticContact CE1-CG 3.81Å; Y489-H511 AromaticContact CE2-CD2 3.6Å; Y489-H511 AromaticContact CZ-CD2 3.31Å; Y489-H511 AromaticContact CZ-CG 3.99Å; Y489-H511 AromaticContact CZ-NE2 3.81Å; H511-T513 PolarHBondContact CE1-OG1 3.23Å; H511-T513 VanDerWaalsContact CE1-OG1 3.22Å; H511-A663 WeakPolarHBondContact O-CA 3.42Å; H511-V664 PolarHBondContact N-O 3.46Å; H511-V664 PolarHBondContact O-N 3.42Å; H511-L666 HydrophobicContact CB-CD1 3.86Å; H511-L666 HydrophobicContact CB-CG 4.31Å
512I96.1Very high85.4Confident1 Ų151.6 Ų51.61%0.00526%0.256CS..EExtended strand (participates in β ladder)trans-119.9123.6-178.7-58.880.5000109.4D487 F488 V490 S510 L546 Y661 E662 A663D487-I512 WeakPolarHBondContact CA-O 3.45Å; F488-I512 HydrophobicContact CD1-CB 4.23Å; F488-I512 HydrophobicContact CD1-CG2 4.43Å; F488-I512 HydrophobicContact CD2-CB 4.02Å; F488-I512 HydrophobicContact CD2-CD1 3.98Å; F488-I512 HydrophobicContact CD2-CG1 4.38Å; F488-I512 HydrophobicContact CE1-CB 3.8Å; F488-I512 HydrophobicContact CE1-CG2 3.62Å; F488-I512 HydrophobicContact CE2-CB 3.51Å; F488-I512 HydrophobicContact CE2-CD1 3.57Å; F488-I512 HydrophobicContact CE2-CG1 3.68Å; F488-I512 HydrophobicContact CE2-CG2 4.03Å; F488-I512 HydrophobicContact CG-CB 4.36Å; F488-I512 HydrophobicContact CZ-CB 3.43Å; F488-I512 VanDerWaalsContact CZ-CB 3.43Å; F488-I512 HydrophobicContact CZ-CD1 4.33Å; F488-I512 HydrophobicContact CZ-CG1 3.91Å; F488-I512 HydrophobicContact CZ-CG2 3.39Å; F488-I512 PolarHBondContact N-O 2.85Å; F488-I512 PolarHBondContact O-N 2.84Å; V490-I512 HydrophobicContact CB-CD1 4.5Å; V490-I512 HydrophobicContact CG2-CD1 3.57Å; S510-I512 WeakPolarHBondContact OG-CD1 3.25Å; I512-L546 HydrophobicContact CB-CD2 4.5Å; I512-L546 HydrophobicContact CG1-CD2 3.88Å; I512-L546 HydrophobicContact CG2-CD2 3.81Å; I512-Y661 HydrophobicContact CG2-CD2 4.21Å; I512-E662 CarbonylContact C-O 3.56Å; I512-E662 VanDerWaalsContact CA-O 3.26Å; I512-E662 WeakPolarHBondContact CA-O 3.47Å; I512-A663 HydrophobicContact CG1-CB 4.12Å
513T96.8Very high86.1Confident30 Ų3056.1 Ų56.118%0.18428%0.278CS..EExtended strand (participates in β ladder)trans-108.9117.1173.4-55.50000109D487 H511 Y661 E662D487-T513 VanDerWaalsContact OD1-CB 3.27Å; D487-T513 WeakPolarHBondContact OD1-CB 3.43Å; D487-T513 VanDerWaalsContact OD1-CG2 3.3Å; D487-T513 WeakPolarHBondContact OD1-CG2 3.04Å; D487-T513 PolarHBondContact OD1-OG1 3.11Å; H511-T513 PolarHBondContact CE1-OG1 3.23Å; H511-T513 VanDerWaalsContact CE1-OG1 3.22Å; T513-Y661 CarbonylContact O-C 3.53Å; T513-Y661 VanDerWaalsContact O-CA 3.29Å; T513-Y661 WeakPolarHBondContact O-CA 3.19Å; T513-E662 PolarHBondContact N-O 3.43Å; T513-E662 PolarHBondContact O-N 2.95Å
514T95.8Very high87.1Confident0 Ų058.1 Ų58.10%029%0.285CS..EExtended strand (participates in β ladder)trans-77.8149.4173.356.10000110.9D485 L486 F488 V532 V549 I659D485-T514 WeakPolarHBondContact CB-O 3.14Å; L486-T514 HydrophobicContact CD2-CG2 4.39Å; L486-T514 HydrophobicContact CG-CG2 4.26Å; L486-T514 PolarHBondContact N-OG1 3.46Å; L486-T514 PolarHBondContact O-N 3.16Å; L486-T514 PolarHBondContact O-OG1 3.01Å; F488-T514 HydrophobicContact CE1-CG2 4.16Å; T514-V532 HydrophobicContact CG2-CG1 4.44Å; T514-V549 HydrophobicContact CG2-CG1 3.9Å; T514-I659 HydrophobicContact CG2-CD1 4.21Å
515R95.1Very high88.2Confident108 Ų10862.5 Ų62.541%0.40831%0.312SS..EExtended strand (participates in β ladder)trans-128.2145.2-178.3-61.8-171.1179.1-85.86.3111.2V517 D660 E662R515-V517 PolarHBondContact O-N 3.09Å; R515-D660 HydrophobicContact CB-CB 4.22Å; R515-D660 PolarHBondContact N-O 2.86Å; R515-E662 IonicContact CZ-OE2 3.33Å; R515-E662 IonicContact NE-OE2 3.69Å; R515-E662 IonicContact NH2-OE2 2.74Å; R515-E662 PolarHBondContact NH2-OE2 3.11Å
516N92.1Very high89.7Confident82 Ų8262 Ų6244%0.43931%0.305SS..SBendtrans63.519.5175.3-56.6-56000115.3D485 S518 K519 A520D485-N516 PolarHBondContact OD1-N 3.23Å; D485-N516 PolarHBondContact OD2-N 3.35Å; N516-S518 VanDerWaalsContact C-N 3.31Å; N516-S518 PolarHBondContact O-N 2.92Å; N516-K519 HydrophobicContact CB-CB 4.41Å; N516-K519 WeakPolarHBondContact O-CB 3.33Å; N516-K519 PolarHBondContact O-N 3.46Å; N516-K519 VanDerWaalsContact O-N 3.08Å; N516-A520 PolarHBondContact O-N 2.93Å
517V92.9Very high90.9Very high0 Ų058.1 Ų58.10%029%0.285CS..Hα-helixtrans-56.6-45.8178.1179.10000110.5T484 D485 R515 K519 A520 A521 V532 I659T484-V517 VanDerWaalsContact C-CB 3.47Å; T484-V517 WeakPolarHBondContact O-CG1 3.37Å; D485-V517 WeakPolarHBondContact OD1-CB 3.44Å; D485-V517 WeakPolarHBondContact OD1-CG2 3.31Å; D485-V517 PolarHBondContact OD1-N 3.1Å; R515-V517 PolarHBondContact O-N 3.09Å; V517-K519 PolarHBondContact O-N 3.28Å; V517-A520 PolarHBondContact O-N 3.39Å; V517-A521 VanDerWaalsContact O-CB 3.22Å; V517-A521 WeakPolarHBondContact O-CB 3.23Å; V517-A521 PolarHBondContact O-N 2.81Å; V517-V532 HydrophobicContact CG1-CG2 3.65Å; V517-V532 HydrophobicContact CG2-CG2 4.1Å; V517-I659 HydrophobicContact CG2-CD1 3.54Å
518S91.1Very high91.6Very high45 Ų4558.3 Ų58.332%0.31529%0.289SS..Hα-helixtrans-65.4-26-179.9-65.70000114I483 T484 N516 K522I483-S518 WeakPolarHBondContact O-CA 3.3Å; I483-S518 PolarHBondContact O-OG 3.39Å; T484-S518 WeakPolarHBondContact CA-OG 3.48Å; N516-S518 VanDerWaalsContact C-N 3.31Å; N516-S518 PolarHBondContact O-N 2.92Å; S518-K522 WeakPolarHBondContact O-CG 3.5Å
519K91.7Very high91.9Very high160 Ų16057.1 Ų57.170%0.69628%0.284SS*.Hα-helixtrans-76.6-48.7176-175.5-175.5175.6-171.90109.9N516 V517 K522 H523N516-K519 HydrophobicContact CB-CB 4.41Å; N516-K519 WeakPolarHBondContact O-CB 3.33Å; N516-K519 PolarHBondContact O-N 3.46Å; N516-K519 VanDerWaalsContact O-N 3.08Å; V517-K519 PolarHBondContact O-N 3.28Å; K519-K522 PolarHBondContact O-N 3.49Å; K519-H523 PolarHBondContact O-N 3.27Å
520A91.1Very high91.9Very high8 Ų862.8 Ų62.87%0.06631%0.306CS..Hα-helixtrans-58.1-47.817500000111N516 V517 K522 H523 C551 F553 I659N516-A520 PolarHBondContact O-N 2.93Å; V517-A520 PolarHBondContact O-N 3.39Å; A520-K522 PolarHBondContact O-N 3.16Å; A520-H523 WeakPolarHBondContact O-CB 3.4Å; A520-H523 PolarHBondContact O-N 3.49Å; A520-C551 HydrophobicContact CB-CB 4.35Å; A520-F553 VanDerWaalsContact O-CZ 3.22Å; A520-F553 WeakPolarHBondContact O-CZ 3.39Å; A520-I659 HydrophobicContact CB-CG2 3.79Å
521A88.8Confident91.9Very high11 Ų1162.3 Ų62.39%0.09130%0.303CS..THydrogen-bonded Turntrans-56-19.9179.800000114.7I483 V517 P529I483-A521 HydrophobicContact CB-CB 4.41Å; V517-A521 VanDerWaalsContact O-CB 3.22Å; V517-A521 WeakPolarHBondContact O-CB 3.23Å; V517-A521 PolarHBondContact O-N 2.81Å; A521-P529 HydrophobicContact CB-CB 3.83Å; A521-P529 HydrophobicContact CB-CG 4.02Å; A521-P529 WeakPolarHBondContact O-CG 3.44Å
522K90.1Very high92Very high177 Ų17760.8 Ų60.877%0.7730%0.296SS*.THydrogen-bonded Turntrans-102.90.1177.9-66.1176-176.6176.30113.8S518 K519 A520S518-K522 WeakPolarHBondContact O-CG 3.5Å; K519-K522 PolarHBondContact O-N 3.49Å; A520-K522 PolarHBondContact O-N 3.16Å
523H91.2Very high91.9Very high117 Ų11762.5 Ų62.554%0.54230%0.303SS..SBendtrans-68.5-39.8-171.5-165.3174.1000112K519 A520 E657K519-H523 PolarHBondContact O-N 3.27Å; A520-H523 WeakPolarHBondContact O-CB 3.4Å; A520-H523 PolarHBondContact O-N 3.49Å; H523-E657 IonicContact CE1-OE1 3.15Å; H523-E657 IonicContact CG-OE1 2.71Å; H523-E657 IonicContact ND1-OE1 3.44Å; H523-E657 PolarHBondContact ND1-OE1 2.89Å; H523-E657 IonicContact ND1-OE2 3.33Å
524Y90.8Very high91.9Very high64 Ų6461 Ų6125%0.25129%0.294SS..  trans-106.6107.6-176-55.9-74.1000111.6F526 A527 F553 F655 E657Y524-F526 AromaticContact CD1-CE1 3.7Å; Y524-F526 HydrophobicContact CD1-CE1 3.7Å; Y524-F526 HydrophobicContact CD1-CE2 4.46Å; Y524-F526 AromaticContact CD1-CZ 3.51Å; Y524-F526 HydrophobicContact CD1-CZ 3.51Å; Y524-F526 HydrophobicContact CE1-CZ 4.32Å; Y524-F526 HydrophobicContact CG-CE1 4.37Å; Y524-F526 HydrophobicContact CG-CZ 4.14Å; Y524-F526 PolarHBondContact O-N 3.02Å; Y524-A527 PolarHBondContact O-N 2.91Å; Y524-F553 HydrophobicContact CD2-CD1 4.01Å; Y524-F553 HydrophobicContact CD2-CD2 4.15Å; Y524-F553 AromaticContact CD2-CE1 3.88Å; Y524-F553 HydrophobicContact CD2-CE1 3.88Å; Y524-F553 HydrophobicContact CD2-CE2 4.02Å; Y524-F553 HydrophobicContact CD2-CG 4.15Å; Y524-F553 AromaticContact CD2-CZ 3.89Å; Y524-F553 HydrophobicContact CD2-CZ 3.89Å; Y524-F553 HydrophobicContact CE2-CD2 4.34Å; Y524-F553 HydrophobicContact CE2-CE2 4.09Å; Y524-F553 HydrophobicContact CE2-CZ 4.27Å; Y524-F655 HydrophobicContact CD1-CE2 4.33Å; Y524-F655 HydrophobicContact CD1-CZ 4.36Å; Y524-F655 AromaticContact CD2-CE2 3.6Å; Y524-F655 HydrophobicContact CD2-CE2 3.6Å; Y524-F655 AromaticContact CD2-CZ 3.89Å; Y524-F655 HydrophobicContact CD2-CZ 3.89Å; Y524-F655 HydrophobicContact CE1-CE2 4.35Å; Y524-F655 AromaticContact CE2-CE2 3.64Å; Y524-F655 HydrophobicContact CE2-CE2 3.64Å; Y524-F655 HydrophobicContact CE2-CZ 4.38Å; Y524-F655 AromaticContact CG-CE2 3.96Å; Y524-F655 HydrophobicContact CG-CE2 3.96Å; Y524-F655 AromaticContact CG-CZ 3.88Å; Y524-F655 HydrophobicContact CG-CZ 3.88Å; Y524-E657 HydrophobicContact CE2-CB 4.3Å; Y524-E657 HydrophobicContact CE2-CG 4.44Å; Y524-E657 VanDerWaalsContact CE2-OE2 3.31Å; Y524-E657 WeakPolarHBondContact CE2-OE2 3.36Å
525S87.8Confident92Very high115 Ų11563.9 Ų63.980%0.80431%0.307SS*.THydrogen-bonded Turntrans-71.7-16.317762.70000114
526F89.4Confident92Very high100 Ų10059 Ų5944%0.43929%0.289SS..THydrogen-bonded Turntrans-94.92.6179.761.6-96.1000113.2Y524 I556 F655Y524-F526 AromaticContact CD1-CE1 3.7Å; Y524-F526 HydrophobicContact CD1-CE1 3.7Å; Y524-F526 HydrophobicContact CD1-CE2 4.46Å; Y524-F526 AromaticContact CD1-CZ 3.51Å; Y524-F526 HydrophobicContact CD1-CZ 3.51Å; Y524-F526 HydrophobicContact CE1-CZ 4.32Å; Y524-F526 HydrophobicContact CG-CE1 4.37Å; Y524-F526 HydrophobicContact CG-CZ 4.14Å; Y524-F526 PolarHBondContact O-N 3.02Å; F526-I556 PolarHBondContact O-N 3.07Å; F526-F655 HydrophobicContact CE2-CE1 4.12Å; F526-F655 AromaticContact CE2-CZ 3.99Å; F526-F655 HydrophobicContact CE2-CZ 3.99Å; F526-F655 HydrophobicContact CZ-CZ 4.42Å
527A89.8Confident92.2Very high5 Ų556.9 Ų56.94%0.04128%0.277CS..EExtended strand (participates in β ladder)trans-140.3144.4-17800000111.3Y524 F553 H554 F655Y524-A527 PolarHBondContact O-N 2.91Å; A527-F553 HydrophobicContact CB-CB 3.98Å; A527-F553 HydrophobicContact CB-CD1 4.34Å; A527-H554 CarbonylContact C-O 3.51Å; A527-H554 VanDerWaalsContact CA-O 3.23Å; A527-H554 WeakPolarHBondContact CA-O 3.48Å; A527-H554 WeakPolarHBondContact CB-O 3.19Å; A527-F655 HydrophobicContact CB-CE1 3.52Å; A527-F655 HydrophobicContact CB-CZ 3.55Å
528E89.7Confident92.4Very high87 Ų8756.9 Ų56.941%0.40728%0.277SS..EExtended strand (participates in β ladder)trans-90.4128.7175.5-75.3173.6-179.800110.8R530 F553 H554 I556E528-R530 PolarHBondContact O-N 2.83Å; E528-R530 IonicContact OE2-CZ 2.92Å; E528-R530 IonicContact OE2-NE 2.72Å; E528-R530 IonicContact OE2-NH2 3.8Å; E528-R530 PolarHBondContact OE2-NH2 2.59Å; E528-F553 WeakPolarHBondContact O-CA 3.45Å; E528-H554 PolarHBondContact N-O 2.8Å; E528-H554 PolarHBondContact O-N 3.25Å; E528-I556 HydrophobicContact CG-CD1 4.11Å; E528-I556 HydrophobicContact CG-CG1 3.8Å
529P91.3Very high92.5Very high41 Ų4156 Ų5627%0.26627%0.269SS..EExtended strand (participates in β ladder)trans-67.8130.717030.6-35.8000110I483 A521 I552 F553I483-P529 HydrophobicContact CG2-CB 4.18Å; I483-P529 HydrophobicContact CG2-CG 4.14Å; A521-P529 HydrophobicContact CB-CB 3.83Å; A521-P529 HydrophobicContact CB-CG 4.02Å; A521-P529 WeakPolarHBondContact O-CG 3.44Å; P529-I552 CarbonylContact C-O 3.58Å; P529-I552 WeakPolarHBondContact CA-O 3.27Å; P529-F553 HydrophobicContact CB-CD1 4.21Å; P529-F553 HydrophobicContact CB-CE1 3.93Å
530R91.3Very high92.6Very high123 Ų12352.9 Ų52.946%0.46426%0.257SS..EExtended strand (participates in β ladder)trans-109.9-9.8-178.9-68.9-58.7-178.2134.8-11.4114.6R481 E528 I552 H554R481-R530 PolarHBondContact N-O 2.83Å; E528-R530 PolarHBondContact O-N 2.83Å; E528-R530 IonicContact OE2-CZ 2.92Å; E528-R530 IonicContact OE2-NE 2.72Å; E528-R530 IonicContact OE2-NH2 3.8Å; E528-R530 PolarHBondContact OE2-NH2 2.59Å; R530-I552 HydrophobicContact CB-CG2 4.49Å; R530-I552 PolarHBondContact N-O 2.87Å; R530-H554 HydrophobicContact CG-CB 4.15Å; R530-H554 VanDerWaalsContact CG-ND1 3.26Å; R530-H554 WeakPolarHBondContact CG-ND1 3.31Å
531G93.2Very high92.8Very high2 Ų253.7 Ų53.72%0.02126%0.26CS..EExtended strand (participates in β ladder)trans149.7-164.7177.800000112.4F479 H482 C551 I552F479-G531 VanDerWaalsContact O-CA 3.28Å; F479-G531 WeakPolarHBondContact O-CA 3.43Å; H482-G531 CarbonylContact O-C 3.55Å; H482-G531 WeakPolarHBondContact O-CA 3.23Å; G531-C551 WeakPolarHBondContact O-CA 3.33Å; G531-I552 PolarHBondContact O-N 3.33Å
532V95Very high93.1Very high0 Ų053.3 Ų53.30%026%0.258CS..EExtended strand (participates in β ladder)trans-113.9147.1176177.60000109.6K478 F479 H482 L486 T514 V517 V549 S550 I659K478-V532 CarbonylContact C-O 3.4Å; K478-V532 WeakPolarHBondContact CA-O 3.47Å; F479-V532 HydrophobicContact CB-CB 4.3Å; F479-V532 HydrophobicContact CD2-CB 4.21Å; F479-V532 HydrophobicContact CD2-CG1 4.19Å; F479-V532 PolarHBondContact N-O 2.84Å; F479-V532 PolarHBondContact O-N 2.83Å; F479-V532 VanDerWaalsContact O-N 3.09Å; H482-V532 HydrophobicContact CB-CG2 4.45Å; L486-V532 HydrophobicContact CD2-CB 3.78Å; L486-V532 HydrophobicContact CD2-CG1 4.14Å; L486-V532 HydrophobicContact CD2-CG2 3.72Å; T514-V532 HydrophobicContact CG2-CG1 4.44Å; V517-V532 HydrophobicContact CG1-CG2 3.65Å; V517-V532 HydrophobicContact CG2-CG2 4.1Å; V532-V549 HydrophobicContact CG1-CG1 3.26Å; V532-S550 CarbonylContact C-O 3.58Å; V532-S550 WeakPolarHBondContact CA-O 3.49Å; V532-I659 HydrophobicContact CG1-CD1 3.94Å; V532-I659 HydrophobicContact CG2-CD1 4.34Å
533K95.8Very high93.4Very high37 Ų3745.4 Ų45.416%0.16122%0.223CC..EExtended strand (participates in β ladder)trans-125.2122.5176.2-169.3175.5175.3-172.90109.5A476 I477 K478 H535 V549 S550 I552 F656A476-K533 HydrophobicContact CB-CD 4.42Å; A476-K533 VanDerWaalsContact CB-CE 3.42Å; A476-K533 HydrophobicContact CB-CG 4.15Å; I477-K533 CarbonylContact O-C 3.52Å; I477-K533 VanDerWaalsContact O-CA 3.28Å; I477-K533 WeakPolarHBondContact O-CA 3.31Å; K478-K533 HydrophobicContact CG-CD 4.39Å; K478-K533 HydrophobicContact CG-CG 4.17Å; K533-H535 WeakPolarHBondContact CD-NE2 3.35Å; K533-V549 CarbonylContact O-C 3.58Å; K533-V549 WeakPolarHBondContact O-CA 3.46Å; K533-S550 PolarHBondContact N-O 3.41Å; K533-S550 PolarHBondContact O-N 3.37Å; K533-I552 HydrophobicContact CB-CD1 3.91Å; K533-I552 HydrophobicContact CB-CG1 3.88Å; K533-F656 HydrophobicContact CD-CD1 4.2Å; K533-F656 HydrophobicContact CD-CE1 3.61Å; K533-F656 HydrophobicContact CD-CZ 4.29Å
534A96.7Very high93.6Very high0 Ų040.4 Ų40.40%020%0.201CC..EExtended strand (participates in β ladder)trans-102.213317200000110.3A476 I477 F479 F488 F536 L546 V549A476-A534 CarbonylContact C-O 3.57Å; A476-A534 WeakPolarHBondContact CA-O 3.45Å; A476-A534 WeakPolarHBondContact CB-O 3.35Å; I477-A534 HydrophobicContact CG2-CB 3.83Å; I477-A534 PolarHBondContact N-O 2.65Å; I477-A534 PolarHBondContact O-N 3.07Å; F479-A534 HydrophobicContact CE2-CB 3.76Å; F479-A534 HydrophobicContact CZ-CB 4.48Å; F488-A534 HydrophobicContact CZ-CB 3.98Å; A534-F536 HydrophobicContact CB-CD2 4.41Å; A534-F536 HydrophobicContact CB-CE2 3.79Å; A534-F536 HydrophobicContact CB-CZ 4.44Å; A534-L546 HydrophobicContact CB-CD1 3.91Å; A534-V549 HydrophobicContact CB-CG2 4.22Å
535H96.4Very high93.8Very high60 Ų6039.7 Ų39.728%0.27820%0.203SC..EExtended strand (participates in β ladder)trans-107.3112.5-175.5-69.6-103.8000110.1K533 N547 G548K533-H535 WeakPolarHBondContact CD-NE2 3.35Å; H535-N547 PolarHBondContact O-N 2.83Å; H535-G548 PolarHBondContact N-O 3.03Å
536F96.7Very high94.2Very high5 Ų535.2 Ų35.22%0.02217%0.17CC..EExtended strand (participates in β ladder)trans-108.4149179.6-67.7-87.7000111.8V432 L464 F465 K474 R475 I477 F488 V490 A534 L544 V545 L546V432-F536 HydrophobicContact CG2-CE2 4.3Å; V432-F536 HydrophobicContact CG2-CZ 4.4Å; L464-F536 HydrophobicContact CD1-CD2 4.09Å; L464-F536 HydrophobicContact CD2-CB 3.7Å; L464-F536 HydrophobicContact CD2-CD1 4Å; L464-F536 HydrophobicContact CD2-CD2 3.61Å; L464-F536 HydrophobicContact CD2-CE1 4.48Å; L464-F536 HydrophobicContact CD2-CE2 4.14Å; L464-F536 HydrophobicContact CD2-CG 3.5Å; F465-F536 HydrophobicContact CE2-CB 4.37Å; K474-F536 WeakPolarHBondContact CA-O 3.32Å; R475-F536 PolarHBondContact N-O 2.95Å; R475-F536 CarbonylContact O-C 3.6Å; R475-F536 WeakPolarHBondContact O-CA 3.42Å; R475-F536 PolarHBondContact O-N 2.89Å; I477-F536 HydrophobicContact CG2-CD2 4.34Å; I477-F536 HydrophobicContact CG2-CE2 3.8Å; F488-F536 HydrophobicContact CE2-CE2 4.5Å; F488-F536 AromaticContact CE2-CZ 3.84Å; F488-F536 HydrophobicContact CE2-CZ 3.84Å; F488-F536 HydrophobicContact CZ-CZ 4.46Å; V490-F536 HydrophobicContact CG2-CE1 3.97Å; V490-F536 HydrophobicContact CG2-CZ 3.86Å; A534-F536 HydrophobicContact CB-CD2 4.41Å; A534-F536 HydrophobicContact CB-CE2 3.79Å; A534-F536 HydrophobicContact CB-CZ 4.44Å; F536-L544 HydrophobicContact CB-CD1 4.11Å; F536-L544 HydrophobicContact CD1-CD1 4.03Å; F536-L544 HydrophobicContact CD1-CD2 4.12Å; F536-L544 HydrophobicContact CD1-CG 4.06Å; F536-L544 HydrophobicContact CE1-CD2 4.3Å; F536-L544 HydrophobicContact CG-CD1 4.43Å; F536-V545 CarbonylContact C-O 3.55Å; F536-V545 WeakPolarHBondContact CA-O 3.28Å; F536-L546 HydrophobicContact CD1-CB 4.17Å; F536-L546 HydrophobicContact CD1-CD1 4.15Å; F536-L546 HydrophobicContact CD2-CD1 4.44Å; F536-L546 HydrophobicContact CE1-CB 4.01Å; F536-L546 HydrophobicContact CE1-CD1 3.93Å; F536-L546 HydrophobicContact CE1-CG 4.46Å; F536-L546 HydrophobicContact CE2-CD1 4.23Å; F536-L546 HydrophobicContact CG-CD1 4.43Å; F536-L546 HydrophobicContact CZ-CD1 3.99Å
537I95.9Very high94.3Very high38 Ų3836 Ų3620%0.19518%0.178CC..EExtended strand (participates in β ladder)trans-128.8129.7167-174.2170.3000108.5K474 V545K474-I537 HydrophobicContact CG-CB 4.28Å; K474-I537 HydrophobicContact CG-CD1 3.95Å; K474-I537 HydrophobicContact CG-CG1 4.02Å; I537-V545 HydrophobicContact CG2-CB 3.76Å; I537-V545 HydrophobicContact CG2-CG1 4.41Å; I537-V545 PolarHBondContact N-O 2.9Å; I537-V545 PolarHBondContact O-N 2.74Å
538M95.7Very high94.6Very high0 Ų036.5 Ų36.50%018%0.184CC..EExtended strand (participates in β ladder)trans-85.5109.7155.9-169.2172.1-72.300105.4N426 I430 F465 F471 P472 Q473 I543N426-M538 HydrophobicContact CB-CE 4.37Å; N426-M538 HydrophobicContact CB-SD 3.9Å; I430-M538 HydrophobicContact CD1-CE 3.82Å; F465-M538 HydrophobicContact CB-CE 3.83Å; F465-M538 HydrophobicContact CD1-CB 4.37Å; F465-M538 HydrophobicContact CD1-CE 4.18Å; F465-M538 HydrophobicContact CD2-CE 3.88Å; F465-M538 HydrophobicContact CE1-CB 3.94Å; F465-M538 HydrophobicContact CE2-CB 4.26Å; F465-M538 HydrophobicContact CG-CE 3.7Å; F465-M538 HydrophobicContact CZ-CB 3.89Å; F471-M538 HydrophobicContact CB-CB 4.09Å; F471-M538 HydrophobicContact CB-CG 3.61Å; F471-M538 HydrophobicContact CB-SD 3.72Å; F471-M538 HydrophobicContact CD1-CG 4.49Å; F471-M538 HydrophobicContact CD1-SD 3.85Å; F471-M538 HydrophobicContact CG-CG 4.09Å; F471-M538 HydrophobicContact CG-SD 4.01Å; P472-M538 CarbonylContact C-O 3.59Å; P472-M538 WeakPolarHBondContact CA-O 3.47Å; Q473-M538 PolarHBondContact N-O 3.48Å; Q473-M538 PolarHBondContact O-N 3.27Å; M538-I543 WeakPolarHBondContact CA-O 3.1Å
539D95Very high94.9Very high27 Ų2732.4 Ų32.414%0.14417%0.165CC..  trans-80.2-171.3-169.474.9-2.5000112.5F471 N541 G542 I543F471-D539 WeakPolarHBondContact CD2-O 3.4Å; D539-N541 PolarHBondContact O-N 2.96Å; D539-N541 VanDerWaalsContact OD1-CA 3.3Å; D539-N541 WeakPolarHBondContact OD1-CA 3.35Å; D539-N541 WeakPolarHBondContact OD1-CB 3.1Å; D539-N541 PolarHBondContact OD1-N 3.46Å; D539-N541 PolarHBondContact OD2-ND2 3.4Å; D539-G542 PolarHBondContact O-N 2.82Å; D539-G542 PolarHBondContact OD1-N 3.45Å; D539-G542 VanDerWaalsContact OD1-N 3.14Å; D539-I543 PolarHBondContact N-O 3Å; D539-I543 PolarHBondContact OD1-N 3.27Å
540H93.2Very high95.1Very high93 Ų9331.1 Ų31.143%0.43116%0.157SC..THydrogen-bonded Turntrans-68.9-13.4178.1-67.287.6000113.7Q186Q186-H540 HydrophobicContact CG-CB 4.44Å; Q186-H540 PolarHBondContact NE2-O 2.75Å; Q186-H540 VanDerWaalsContact NE2-O 3.1Å
541N95.9Very high95.3Very high25 Ų2525.4 Ų25.413%0.13414%0.136CC..THydrogen-bonded Turntrans-89.4-8177-54.4-57.8000112.1R170 Q186 I187 D539 I543R170-N541 WeakPolarHBondContact CD-O 3.43Å; R170-N541 PolarHBondContact NH1-O 3.25Å; Q186-N541 VanDerWaalsContact CA-OD1 3.25Å; Q186-N541 WeakPolarHBondContact CA-OD1 3.46Å; I187-N541 HydrophobicContact CB-CB 4.2Å; I187-N541 PolarHBondContact N-OD1 3.33Å; I187-N541 WeakPolarHBondContact O-CA 3.48Å; D539-N541 PolarHBondContact O-N 2.96Å; D539-N541 VanDerWaalsContact OD1-CA 3.3Å; D539-N541 WeakPolarHBondContact OD1-CA 3.35Å; D539-N541 WeakPolarHBondContact OD1-CB 3.1Å; D539-N541 PolarHBondContact OD1-N 3.46Å; D539-N541 PolarHBondContact OD2-ND2 3.4Å; N541-I543 HydrophobicContact CB-CB 4.38Å; N541-I543 HydrophobicContact CB-CD1 3.91Å; N541-I543 HydrophobicContact CB-CG1 3.93Å
542G95.2Very high95.3Very high4 Ų425.7 Ų25.74%0.04114%0.137CC..SBendtrans73.415.7-167.800000112.6Q167 F471 D539Q167-G542 PolarHBondContact NE2-O 2.89Å; F471-G542 VanDerWaalsContact CE2-CA 3.49Å; D539-G542 PolarHBondContact O-N 2.82Å; D539-G542 PolarHBondContact OD1-N 3.45Å; D539-G542 VanDerWaalsContact OD1-N 3.14Å
543I95.5Very high95.3Very high10 Ų1025.7 Ų25.75%0.05114%0.137CC..  trans-91.1135.1178.3-63.3172.4000108.8Q167 R170 R171 I174 M538 D539 N541 V545Q167-I543 VanDerWaalsContact OE1-CA 3.28Å; R170-I543 HydrophobicContact CB-CD1 3.95Å; R170-I543 HydrophobicContact CB-CG1 3.79Å; R171-I543 HydrophobicContact CG-CD1 4.17Å; R171-I543 HydrophobicContact CG-CG2 4.08Å; I174-I543 HydrophobicContact CD1-CD1 3.57Å; M538-I543 WeakPolarHBondContact CA-O 3.1Å; D539-I543 PolarHBondContact N-O 3Å; D539-I543 PolarHBondContact OD1-N 3.27Å; N541-I543 HydrophobicContact CB-CB 4.38Å; N541-I543 HydrophobicContact CB-CD1 3.91Å; N541-I543 HydrophobicContact CB-CG1 3.93Å; I543-V545 HydrophobicContact CG2-CG2 4.27Å
544L95.6Very high95.1Very high13 Ų1327.1 Ų27.17%0.06814%0.144CC..EExtended strand (participates in β ladder)trans-80.7120173.4-175.676.9000110I430 L464 F465 V490 F536I430-L544 HydrophobicContact CD1-CB 4.34Å; I430-L544 HydrophobicContact CD1-CD2 4.34Å; I430-L544 HydrophobicContact CG2-CD2 4.03Å; L464-L544 HydrophobicContact CD2-CD1 4.02Å; F465-L544 HydrophobicContact CD2-CD1 3.86Å; F465-L544 HydrophobicContact CE2-CD1 3.4Å; F465-L544 HydrophobicContact CZ-CD1 4.41Å; V490-L544 HydrophobicContact CG1-CD2 3.47Å; V490-L544 VanDerWaalsContact CG1-CD2 3.47Å; F536-L544 HydrophobicContact CB-CD1 4.11Å; F536-L544 HydrophobicContact CD1-CD1 4.03Å; F536-L544 HydrophobicContact CD1-CD2 4.12Å; F536-L544 HydrophobicContact CD1-CG 4.06Å; F536-L544 HydrophobicContact CE1-CD2 4.3Å; F536-L544 HydrophobicContact CG-CD1 4.43Å
545V94.7Very high94.8Very high48 Ų4828.4 Ų28.429%0.29115%0.152SC..EExtended strand (participates in β ladder)trans-118.1129.2177.4-178.40000109.5F536 I537 I543 N547F536-V545 CarbonylContact C-O 3.55Å; F536-V545 WeakPolarHBondContact CA-O 3.28Å; I537-V545 HydrophobicContact CG2-CB 3.76Å; I537-V545 HydrophobicContact CG2-CG1 4.41Å; I537-V545 PolarHBondContact N-O 2.9Å; I537-V545 PolarHBondContact O-N 2.74Å; I543-V545 HydrophobicContact CG2-CG2 4.27Å; V545-N547 PolarHBondContact O-N 2.93Å
546L95.5Very high94.2Very high21 Ų2129.3 Ų29.311%0.1116%0.158CC..EExtended strand (participates in β ladder)trans-82103.3166.3176.360.7000108.3F488 I512 A534 F536 G548 V549 Y661F488-L546 HydrophobicContact CZ-CD2 4.48Å; I512-L546 HydrophobicContact CB-CD2 4.5Å; I512-L546 HydrophobicContact CG1-CD2 3.88Å; I512-L546 HydrophobicContact CG2-CD2 3.81Å; A534-L546 HydrophobicContact CB-CD1 3.91Å; F536-L546 HydrophobicContact CD1-CB 4.17Å; F536-L546 HydrophobicContact CD1-CD1 4.15Å; F536-L546 HydrophobicContact CD2-CD1 4.44Å; F536-L546 HydrophobicContact CE1-CB 4.01Å; F536-L546 HydrophobicContact CE1-CD1 3.93Å; F536-L546 HydrophobicContact CE1-CG 4.46Å; F536-L546 HydrophobicContact CE2-CD1 4.23Å; F536-L546 HydrophobicContact CG-CD1 4.43Å; F536-L546 HydrophobicContact CZ-CD1 3.99Å; L546-G548 VanDerWaalsContact C-N 3.34Å; L546-V549 HydrophobicContact CD1-CG2 4.08Å; L546-V549 HydrophobicContact CD2-CG2 3.97Å; L546-V549 HydrophobicContact CG-CG2 4.35Å; L546-Y661 HydrophobicContact CD2-CD2 3.56Å; L546-Y661 HydrophobicContact CD2-CE2 3.41Å; L546-Y661 VanDerWaalsContact CD2-CE2 3.41Å; L546-Y661 HydrophobicContact CD2-CG 4.26Å; L546-Y661 HydrophobicContact CG-CD2 4.44Å; L546-Y661 HydrophobicContact CG-CE2 3.86Å; L546-Y661 PolarHBondContact O-OH 3.24Å
547N92.9Very high93.1Very high116 Ų11636.3 Ų36.362%0.6219%0.191SC*.EExtended strand (participates in β ladder)trans-81.5-12.6-175-164.749000113.5H535 V545H535-N547 PolarHBondContact O-N 2.83Å; V545-N547 PolarHBondContact O-N 2.93Å
548G95.1Very high91.4Very high16 Ų1643.1 Ų43.117%0.16522%0.219CC..EExtended strand (participates in β ladder)trans163.3162.2176.300000113.2H535 L546H535-G548 PolarHBondContact N-O 3.03Å; L546-G548 VanDerWaalsContact C-N 3.34Å
549V96.2Very high89.3Confident2 Ų250.2 Ų50.21%0.01226%0.256CS..EExtended strand (participates in β ladder)trans-128.7141.9174.8-170.50000108.5T514 V532 K533 A534 L546 P658 I659 Y661T514-V549 HydrophobicContact CG2-CG1 3.9Å; V532-V549 HydrophobicContact CG1-CG1 3.26Å; K533-V549 CarbonylContact O-C 3.58Å; K533-V549 WeakPolarHBondContact O-CA 3.46Å; A534-V549 HydrophobicContact CB-CG2 4.22Å; L546-V549 HydrophobicContact CD1-CG2 4.08Å; L546-V549 HydrophobicContact CD2-CG2 3.97Å; L546-V549 HydrophobicContact CG-CG2 4.35Å; V549-P658 WeakPolarHBondContact O-CA 3.4Å; V549-I659 HydrophobicContact CB-CD1 4.34Å; V549-I659 HydrophobicContact CB-CG1 3.87Å; V549-I659 HydrophobicContact CG1-CD1 3.66Å; V549-I659 HydrophobicContact CG1-CG1 3.71Å; V549-I659 PolarHBondContact O-N 3.18Å; V549-Y661 HydrophobicContact CB-CD1 4.03Å; V549-Y661 HydrophobicContact CG2-CD1 3.61Å; V549-Y661 HydrophobicContact CG2-CD2 4.49Å; V549-Y661 HydrophobicContact CG2-CE1 4.14Å; V549-Y661 HydrophobicContact CG2-CG 3.81Å
550S96Very high86.9Confident14 Ų1452 Ų5210%0.09828%0.281CS..EExtended strand (participates in β ladder)trans-143.5144.5-178.4-53.80000113V532 K533 E657V532-S550 CarbonylContact C-O 3.58Å; V532-S550 WeakPolarHBondContact CA-O 3.49Å; K533-S550 PolarHBondContact N-O 3.41Å; K533-S550 PolarHBondContact O-N 3.37Å; S550-E657 CarbonylContact C-O 3.44Å; S550-E657 WeakPolarHBondContact CA-O 3.2Å; S550-E657 VanDerWaalsContact CB-O 3.29Å; S550-E657 WeakPolarHBondContact CB-O 3.09Å
551C95.2Very high84.2Confident2 Ų255.1 Ų55.11%0.01430%0.299CS..EExtended strand (participates in β ladder)trans-73.3138164.6-77.60000110.1A520 G531 F553 F656 E657 I659A520-C551 HydrophobicContact CB-CB 4.35Å; G531-C551 WeakPolarHBondContact O-CA 3.33Å; C551-F553 HydrophobicContact CB-CD2 4.37Å; C551-F553 HydrophobicContact CB-CE2 3.48Å; C551-F553 VanDerWaalsContact CB-CE2 3.48Å; C551-F553 HydrophobicContact CB-CZ 3.87Å; C551-F656 VanDerWaalsContact O-CA 3.3Å; C551-F656 WeakPolarHBondContact O-CA 3.45Å; C551-E657 PolarHBondContact N-O 3.38Å; C551-E657 PolarHBondContact O-N 3.24Å; C551-I659 HydrophobicContact CB-CG2 4.4Å
552I94.1Very high81.6Confident8 Ų858.9 Ų58.94%0.04133%0.328CS..EExtended strand (participates in β ladder)trans-97.8128.6178.1-47.1175.7000108.5K478 P529 R530 G531 K533 P654 F656K478-I552 HydrophobicContact CB-CD1 4.38Å; K478-I552 HydrophobicContact CD-CD1 4.17Å; K478-I552 HydrophobicContact CG-CD1 4.01Å; P529-I552 CarbonylContact C-O 3.58Å; P529-I552 WeakPolarHBondContact CA-O 3.27Å; R530-I552 HydrophobicContact CB-CG2 4.49Å; R530-I552 PolarHBondContact N-O 2.87Å; G531-I552 PolarHBondContact O-N 3.33Å; K533-I552 HydrophobicContact CB-CD1 3.91Å; K533-I552 HydrophobicContact CB-CG1 3.88Å; I552-P654 HydrophobicContact CG2-CB 4.45Å; I552-F656 HydrophobicContact CB-CD1 4.46Å; I552-F656 HydrophobicContact CB-CE1 4.39Å; I552-F656 HydrophobicContact CG1-CD1 4.09Å; I552-F656 HydrophobicContact CG1-CE1 3.96Å; I552-F656 HydrophobicContact CG2-CD1 4.41Å; I552-F656 HydrophobicContact CG2-CE1 3.99Å
553F94.3Very high78.8Confident0 Ų066.1 Ų66.10%037%0.365CS..EExtended strand (participates in β ladder)trans-120143.4176.6-65.2-89.4000111.3A520 Y524 A527 E528 P529 C551 P654 F655 E657A520-F553 VanDerWaalsContact O-CZ 3.22Å; A520-F553 WeakPolarHBondContact O-CZ 3.39Å; Y524-F553 HydrophobicContact CD2-CD1 4.01Å; Y524-F553 HydrophobicContact CD2-CD2 4.15Å; Y524-F553 AromaticContact CD2-CE1 3.88Å; Y524-F553 HydrophobicContact CD2-CE1 3.88Å; Y524-F553 HydrophobicContact CD2-CE2 4.02Å; Y524-F553 HydrophobicContact CD2-CG 4.15Å; Y524-F553 AromaticContact CD2-CZ 3.89Å; Y524-F553 HydrophobicContact CD2-CZ 3.89Å; Y524-F553 HydrophobicContact CE2-CD2 4.34Å; Y524-F553 HydrophobicContact CE2-CE2 4.09Å; Y524-F553 HydrophobicContact CE2-CZ 4.27Å; A527-F553 HydrophobicContact CB-CB 3.98Å; A527-F553 HydrophobicContact CB-CD1 4.34Å; E528-F553 WeakPolarHBondContact O-CA 3.45Å; P529-F553 HydrophobicContact CB-CD1 4.21Å; P529-F553 HydrophobicContact CB-CE1 3.93Å; C551-F553 HydrophobicContact CB-CD2 4.37Å; C551-F553 HydrophobicContact CB-CE2 3.48Å; C551-F553 VanDerWaalsContact CB-CE2 3.48Å; C551-F553 HydrophobicContact CB-CZ 3.87Å; F553-P654 CarbonylContact O-C 3.5Å; F553-P654 WeakPolarHBondContact O-CA 3.36Å; F553-P654 WeakPolarHBondContact O-CB 3.42Å; F553-F655 HydrophobicContact CB-CD1 3.97Å; F553-F655 HydrophobicContact CB-CD2 4.05Å; F553-F655 HydrophobicContact CB-CE1 3.54Å; F553-F655 HydrophobicContact CB-CE2 3.63Å; F553-F655 HydrophobicContact CB-CG 4.21Å; F553-F655 HydrophobicContact CB-CZ 3.36Å; F553-F655 HydrophobicContact CD2-CD2 4.25Å; F553-F655 AromaticContact CD2-CE2 3.84Å; F553-F655 HydrophobicContact CD2-CE2 3.84Å; F553-F655 HydrophobicContact CD2-CZ 4.35Å; F553-F655 HydrophobicContact CG-CD2 4.46Å; F553-F655 HydrophobicContact CG-CE1 4.49Å; F553-F655 AromaticContact CG-CE2 3.82Å; F553-F655 HydrophobicContact CG-CE2 3.82Å; F553-F655 AromaticContact CG-CZ 3.84Å; F553-F655 HydrophobicContact CG-CZ 3.84Å; F553-F655 PolarHBondContact N-O 3.24Å; F553-F655 PolarHBondContact O-N 3.35Å; F553-E657 HydrophobicContact CD2-CB 4.38Å; F553-E657 HydrophobicContact CE2-CB 3.69Å
554H91.1Very high76.1Confident67 Ų6773 Ų7331%0.3140%0.402SS..EExtended strand (participates in β ladder)trans-117.1126.5169.6-72.448.1000108.9A527 E528 R530 P654A527-H554 CarbonylContact C-O 3.51Å; A527-H554 VanDerWaalsContact CA-O 3.23Å; A527-H554 WeakPolarHBondContact CA-O 3.48Å; A527-H554 WeakPolarHBondContact CB-O 3.19Å; E528-H554 PolarHBondContact N-O 2.8Å; E528-H554 PolarHBondContact O-N 3.25Å; R530-H554 HydrophobicContact CG-CB 4.15Å; R530-H554 VanDerWaalsContact CG-ND1 3.26Å; R530-H554 WeakPolarHBondContact CG-ND1 3.31Å; H554-P654 WeakPolarHBondContact NE2-CG 3.37Å
555P89.8Confident73.3Confident27 Ų2777.3 Ų77.318%0.17543%0.433CS..EExtended strand (participates in β ladder)trans-55.1139.4175.4-25.635.5000112.3E557 V649 S651 F655P555-E557 PolarHBondContact O-N 3.34Å; P555-V649 HydrophobicContact CB-CG1 4.32Å; P555-S651 WeakPolarHBondContact CG-O 3.45Å; P555-F655 HydrophobicContact CG-CD1 4.38Å; P555-F655 HydrophobicContact CG-CE1 4.36Å
556I84.9Confident70.6Confident79 Ų7982.1 Ų82.141%0.40546%0.457SS..  trans-79.8115.7175.6-63.1166.5000108.6F526 E528 K558F526-I556 PolarHBondContact O-N 3.07Å; E528-I556 HydrophobicContact CG-CD1 4.11Å; E528-I556 HydrophobicContact CG-CG1 3.8Å; I556-K558 PolarHBondContact O-N 3.35Å
557E73.4Confident67.9Low153 Ų15390.7 Ų90.772%0.71549%0.494SS*.  trans-67.9114.7170.7-71.8-174.9176.300110P555 I559P555-E557 PolarHBondContact O-N 3.34Å; E557-I559 PolarHBondContact O-N 3.01Å
558K60.1Low65.1Low180 Ų18090.5 Ų90.578%0.78351%0.508SS*.  trans-78105.5168.1-76.4-175.5179.1176.90109I556 G560I556-K558 PolarHBondContact O-N 3.35Å; K558-G560 PolarHBondContact O-N 3.1Å; K558-G560 VanDerWaalsContact O-N 3.08Å
559I50.9Low62.4Low149 Ų14997.1 Ų97.176%0.76453%0.532SS*.  trans-69.2103.1166.2-57.8172.8000107.5E557 I561E557-I559 PolarHBondContact O-N 3.01Å; I559-I561 PolarHBondContact O-N 2.84Å
560G45Very low59.7Low65 Ų65100.8 Ų100.867%0.6756%0.558SS**  trans-66.4115.3165.200000109.1K558 S562K558-G560 PolarHBondContact O-N 3.1Å; K558-G560 VanDerWaalsContact O-N 3.08Å; G560-S562 VanDerWaalsContact C-N 3.33Å; G560-S562 PolarHBondContact O-N 2.82Å
561I37.2Very low57.4Low158 Ų158105.9 Ų105.981%0.8159%0.589SS**  trans-71.393.2169.2-57.8172.2000106.7I559I559-I561 PolarHBondContact O-N 2.84Å
562S40.8Very low55Low105 Ų105114 Ų11473%0.73462%0.624SS**  trans-96.1115.1156.858.40000107.8G560 D564G560-S562 VanDerWaalsContact C-N 3.33Å; G560-S562 PolarHBondContact O-N 2.82Å; S562-D564 PolarHBondContact O-N 2.81Å
563D35.7Very low52.8Low156 Ų156119.4 Ų119.483%0.83465%0.649SS**  trans-57.999.6166-94.5-28.9000109.1
564D40.7Very low50.5Low155 Ų155128.2 Ų128.283%0.82969%0.688SS**  trans-143.692.1154.8-116.3-17.1000109.1S562 N566S562-D564 PolarHBondContact O-N 2.81Å; D564-N566 PolarHBondContact O-N 2.85Å
565S36Very low48.4Very low102 Ų102130.4 Ų130.471%0.71370%0.701SS**  trans-63.6108.3168.454.70000109.8
566N37.8Very low46.1Very low150 Ų150132 Ų13280%0.80272%0.722SS**  trans147.887.9144.1-78.9-36.1000111.8D564D564-N566 PolarHBondContact O-N 2.85Å
567K38.8Very low44.1Very low200 Ų200133 Ų13387%0.8774%0.736SS**  trans172.183137.6-95.6163.2-175.1175.80109.1K569K567-K569 PolarHBondContact O-N 2.83Å; K567-K569 VanDerWaalsContact O-N 3.13Å
568A33.8Very low42.7Very low112 Ų112131.8 Ų131.893%0.92674%0.739SS**  trans-70.7101.1160.700000108.2
569K39.1Very low41.6Very low155 Ų155130.6 Ų130.667%0.67474%0.74SS**  trans-120.1115.3160.2-85.2-168.2162.3-128.60108.3K567 E573K567-K569 PolarHBondContact O-N 2.83Å; K567-K569 VanDerWaalsContact O-N 3.13Å; K569-E573 IonicContact NZ-OE2 2.89Å; K569-E573 PolarHBondContact NZ-OE2 2.82Å
570S40.3Very low40.9Very low79 Ų79129 Ų12955%0.55274%0.743SS**  trans-53.5139.6-176.3-1790000112.4F572 E573S570-F572 PolarHBondContact O-N 2.78Å; S570-F572 PolarHBondContact OG-N 2.88Å; S570-E573 PolarHBondContact O-N 3.4Å
571T46.8Very low40.7Very low121 Ų121129.5 Ų129.574%0.74275%0.747SS**THydrogen-bonded Turntrans-55.8-12.8174.7-32.20000113.2
572F43.9Very low40.9Very low172 Ų172130 Ų13075%0.75475%0.751SS**THydrogen-bonded Turntrans-74.8-18.9171-89.2-87.9000114.8S570S570-F572 PolarHBondContact O-N 2.78Å; S570-F572 PolarHBondContact OG-N 2.88Å
573E48.4Very low40.9Very low122 Ų122135.6 Ų135.657%0.5776%0.762SS**SBendtrans-82.6-14.5176.7-77.5-169.6165.100113.6K569 S570K569-E573 IonicContact NZ-OE2 2.89Å; K569-E573 PolarHBondContact NZ-OE2 2.82Å; S570-E573 PolarHBondContact O-N 3.4Å
574K45.4Very low41Very low186 Ų186131.9 Ų131.981%0.80976%0.761SS**SBendtrans-88.2-7.7175.7-92.5-178.5177.4178.30114.5
575I47.6Very low40.7Very low113 Ų113128.8 Ų128.858%0.57977%0.766SS**SBendtrans-91.8-7.4174.4-61.7173.8000110.9
576G42Very low40.6Very low61 Ų61127.6 Ų127.663%0.62977%0.77SS**SBendtrans-911.6-175.200000117.4
577S42.4Very low40.4Very low99 Ų99128 Ų12869%0.69277%0.772SS**SBendtrans-118.718.5-172.266.10000116.2
578T43.9Very low40.1Very low127 Ų127123.3 Ų123.378%0.77976%0.764SS**SBendtrans-127.713.5172.337.20000113.6
579L37.7Very low40Very low155 Ų155124.5 Ų124.581%0.81276%0.76SS**  trans-113.637.1-177.3-81.3165.7000113.8
580S35.1Very low39.5Very low117 Ų117124.8 Ų124.882%0.81877%0.769SS**  trans-12387.417165.20000110.6
581G41.4Very low39.3Very low74 Ų74127.8 Ų127.876%0.76378%0.784SS**SBendtrans-176.12.6175.100000116.9
582L42.3Very low38.6Very low169 Ų169129.5 Ų129.589%0.88579%0.788SS**  trans-138.644.8-167.9-138.893.5000114.6
583F39.2Very low37.8Very low222 Ų222130.7 Ų130.797%0.97479%0.793SS**  trans-132.4102.2164.2-94.6-85000109.5
584G39.1Very low37Very low79 Ų79132.6 Ų132.681%0.81481%0.807SS**  trans-176.8106.2173.600000109.3
585G34.7Very low36.2Very low90 Ų90130 Ų13093%0.92881%0.807SS**  trans-87.4-178.9-161.400000117.5
586G33.5Very low35.5Very low77 Ų77130.6 Ų130.679%0.79482%0.818SS**  trans15490.3169.700000114.3
587D32.7Very low34.8Very low158 Ų158136.8 Ų136.885%0.84583%0.831SS**  trans31.1125.4153.1-79.3-27.7000124.6
588S32.2Very low34Very low102 Ų102143.8 Ų143.871%0.71384%0.842SS**  95.9123.5129.676.20000121.4
589T33.2Very low33.3Very low136 Ų136145.4 Ų145.483%0.83485%0.846SS**  trans89100.1154.562.40000121.1
590N28.4Very low32.7Very low162 Ų162145 Ų14587%0.86685%0.85SS**  trans-9.5120.5154.8-64.7-21.2000119.3
591V34.7Very low32.4Very low141 Ų141143.3 Ų143.386%0.85584%0.843SS**  trans-148.7133.4142.8-177.80000109.6
592D32.4Very low31.6Very low158 Ų158146.3 Ų146.385%0.84585%0.846SS**  trans-49.3136.5-177.8-80.1-54000116.2
593K27.8Very low30.9Very low196 Ų196141.6 Ų141.685%0.85282%0.822SS**  trans-118.5107.1166.8-74.8-178.4178.8175.40109.4
594N31.2Very low30.4Very low162 Ų162135.7 Ų135.787%0.86680%0.804SS**  trans-131.192.8155.3-90.1-31000108.1
595V27.9Very low29.7Very low133 Ų133136.7 Ų136.781%0.80680%0.795SS**  trans-131.8109.7167.2178.50000106.2
596P32.9Very low29.3Very low125 Ų125139 Ų13981%0.81279%0.786SS**PPolyproline II helixtrans-77.3144.6167.3-9.326.6000110.4
597E28.5Very low29Very low191 Ų191143 Ų14389%0.89379%0.789SS**PPolyproline II helixtrans-57.7152.2-167.7-72.8165.8130.500116.1D599E597-D599 PolarHBondContact O-N 2.98Å
598R25.6Very low28.8Very low245 Ų245141.8 Ų141.893%0.92578%0.782SS**PPolyproline II helixtrans-68.1117.4172.4-75.8173.7170.8166.3-2.9110.4
599D29.4Very low28.5Very low161 Ų161140.9 Ų140.986%0.86179%0.789SS**PPolyproline II helixtrans-102.5119.3153.9-83.7-23.6000109.4E597 A601E597-D599 PolarHBondContact O-N 2.98Å; D599-A601 PolarHBondContact O-N 2.87Å
600T25.4Very low28.2Very low147 Ų147140 Ų14090%0.90278%0.783SS**  trans-62.1110.1173.430.70000111.1
601A27.2Very low28.1Very low81 Ų81137.1 Ų137.167%0.66977%0.768SS**  trans-97.5119.8164.200000109.6D599 N603D599-A601 PolarHBondContact O-N 2.87Å; A601-N603 PolarHBondContact O-N 2.83Å
602V26.5Very low27.8Very low138 Ų138135.4 Ų135.484%0.83676%0.762SS**  trans-64.5112.9162.9176.10000107
603N27.5Very low27.6Very low70 Ų70133 Ų13337%0.37475%0.754SS.*  trans-86.4116.3168.2-79.2-27.9000107.8A601A601-N603 PolarHBondContact O-N 2.83Å
604T27.5Very low27.7Very low98 Ų98126.3 Ų126.360%0.60173%0.725SS**  trans-83.3116.6153.142.70000107.4D606T604-D606 PolarHBondContact O-N 3.14Å
605T25.2Very low27.6Very low99 Ų99124.4 Ų124.461%0.60772%0.719SS**  trans-73.498.8162.445.90000107.9D239D239-T605 WeakPolarHBondContact OD2-CG2 3.4Å
606D26.9Very low27.6Very low140 Ų140121.5 Ų121.575%0.74970%0.699SS**  trans-97.297.8151.3-68.8-34.2000105.9T604 D608T604-D606 PolarHBondContact O-N 3.14Å; D606-D608 PolarHBondContact O-N 3.2Å; D606-D608 VanDerWaalsContact O-N 3.11Å
607D27Very low27.6Very low160 Ų160121.5 Ų121.586%0.85670%0.697SS**  trans-76.975.7169.7-167.924.5000107.2
608D28.6Very low27.6Very low132 Ų132116.1 Ų116.171%0.70668%0.677SS**  trans-121.2116.8164.6-83.4-35.6000107.5D606 V610D606-D608 PolarHBondContact O-N 3.2Å; D606-D608 VanDerWaalsContact O-N 3.11Å; D608-V610 PolarHBondContact O-N 2.92Å
609G25.1Very low27.9Very low83 Ų83109.3 Ų109.386%0.85666%0.659SS**  trans-61.288169.200000109.9N611G609-N611 PolarHBondContact O-N 2.97Å; G609-N611 VanDerWaalsContact O-N 3.14Å
610V27.3Very low27.8Very low118 Ų118107 Ų10772%0.71565%0.646SS**  trans-80.296.3171.2-177.50000107.3D608 S612D608-V610 PolarHBondContact O-N 2.92Å; V610-S612 VanDerWaalsContact C-N 3.32Å; V610-S612 PolarHBondContact O-N 2.67Å
611N26.1Very low28Very low101 Ų101104.4 Ų104.454%0.5463%0.63SS.*  trans-51.1104.7149.1-85.4-23.4000106.8N183 G609 T613N183-N611 PolarHBondContact ND2-OD1 2.9Å; G609-N611 PolarHBondContact O-N 2.97Å; G609-N611 VanDerWaalsContact O-N 3.14Å; N611-T613 PolarHBondContact O-N 3.41Å; N611-T613 PolarHBondContact O-OG1 3.33Å
612S28.1Very low27.9Very low105 Ų105109 Ų10973%0.73464%0.635SS**  trans-69.284.1171.6-165.40000107.6V610V610-S612 VanDerWaalsContact C-N 3.32Å; V610-S612 PolarHBondContact O-N 2.67Å
613T28.2Very low27.9Very low109 Ų109109.1 Ų109.167%0.66963%0.63SS**  trans-79.5122.6171.129.10000107.9N611 V615N611-T613 PolarHBondContact O-N 3.41Å; N611-T613 PolarHBondContact O-OG1 3.33Å; T613-V615 PolarHBondContact O-N 3.1Å
614H30.8Very low27.9Very low55 Ų55111.7 Ų111.726%0.25565%0.654SS.*  trans-56.8129.2174.4-82.7-86000111.7Q175 E178 D670Q175-H614 VanDerWaalsContact CG-CE1 3.44Å; Q175-H614 WeakPolarHBondContact CG-CE1 3.14Å; Q175-H614 WeakPolarHBondContact CG-NE2 3.47Å; Q175-H614 PolarHBondContact NE2-CE1 3.28Å; E178-H614 IonicContact OE1-CD2 3.8Å; E178-H614 PolarHBondContact OE1-CD2 2.85Å; E178-H614 VanDerWaalsContact OE1-CD2 3.24Å; E178-H614 IonicContact OE1-CG 3.7Å; E178-H614 IonicContact OE2-CD2 3.13Å; E178-H614 PolarHBondContact OE2-CD2 2.74Å; E178-H614 VanDerWaalsContact OE2-CD2 3.25Å; E178-H614 IonicContact OE2-CG 2.71Å; H614-D670 IonicContact CE1-OD2 3.95Å; H614-D670 IonicContact ND1-OD2 2.9Å
615V28.6Very low27.9Very low122 Ų122113.1 Ų113.174%0.73966%0.662SS**  trans-146.4127.2143.7-153.90000108T613T613-V615 PolarHBondContact O-N 3.1Å
616N28.5Very low28Very low71 Ų71114.5 Ų114.538%0.3867%0.665SS.*  trans-43.7147.3151.5-79.7-31.4000108.7
617T31.9Very low28.2Very low125 Ų125115.4 Ų115.477%0.76767%0.669SS**SBendtrans101.1106.3165.7-34.30000115.2
618V28.6Very low28.2Very low79 Ų79114 Ų11448%0.47966%0.662SS.*  trans45.999.3151.9-161.80000115.7I620V618-I620 HydrophobicContact CB-CG1 4.14Å; V618-I620 HydrophobicContact CG1-CB 4.44Å; V618-I620 HydrophobicContact CG1-CD1 4.09Å; V618-I620 HydrophobicContact CG1-CG1 3.27Å; V618-I620 PolarHBondContact O-N 2.96Å
619N31.9Very low28.2Very low101 Ų101114.8 Ų114.854%0.5467%0.665SS.*BIsolated β-bridgetrans-65.683.1155-84.3-11.4000108.4T621N619-T621 PolarHBondContact O-N 2.86Å
620I27.6Very low28.5Very low114 Ų114118.7 Ų118.759%0.58566%0.661SS**  trans-76.5102.8160.5-56.2-175.1000105V618 K622V618-I620 HydrophobicContact CB-CG1 4.14Å; V618-I620 HydrophobicContact CG1-CB 4.44Å; V618-I620 HydrophobicContact CG1-CD1 4.09Å; V618-I620 HydrophobicContact CG1-CG1 3.27Å; V618-I620 PolarHBondContact O-N 2.96Å; I620-K622 HydrophobicContact CG2-CG 4.15Å; I620-K622 PolarHBondContact O-N 3.43Å
621T28.5Very low28.4Very low92 Ų92119.5 Ų119.556%0.56467%0.667SS**  trans-7385175.8-36.60000108.3N619 D660N619-T621 PolarHBondContact O-N 2.86Å; T621-D660 PolarHBondContact N-OD1 3.44Å
622K25Very low28.6Very low178 Ų178121.6 Ų121.677%0.77468%0.676SS**  trans-92.191.5160.3-82.5-178.2179.5176.30107.6I620I620-K622 HydrophobicContact CG2-CG 4.15Å; I620-K622 PolarHBondContact O-N 3.43Å
623N28.3Very low28.7Very low140 Ų140121.3 Ų121.375%0.74967%0.674SS**  trans-173109.1138.8-91.7-17.3000110.1T625N623-T625 PolarHBondContact O-N 3.17Å
624S25.4Very low28.8Very low124 Ų124121.6 Ų121.687%0.86768%0.676SS**  trans-7597.3163.4-440000107.7
625T28.5Very low29Very low127 Ų127126.3 Ų126.378%0.77970%0.703SS**  trans-109.1103.1161.6-27.90000107.2N623 L627N623-T625 PolarHBondContact O-N 3.17Å; T625-L627 PolarHBondContact O-N 3.29Å
626I28.3Very low29.2Very low129 Ų129127.3 Ų127.366%0.66270%0.704SS**  trans-57.2118175.7-65.5166000107.8N628I626-N628 HydrophobicContact CG2-CB 4.29Å; I626-N628 VanDerWaalsContact CG2-OD1 3.28Å; I626-N628 WeakPolarHBondContact CG2-OD1 3.46Å; I626-N628 PolarHBondContact O-N 3.1Å
627L29.5Very low29.7Very low158 Ų158131.3 Ų131.383%0.82773%0.725SS**  trans-65.583158.4-94.3156.8000107.6T625 N629T625-L627 PolarHBondContact O-N 3.29Å; L627-N629 VanDerWaalsContact C-N 3.32Å; L627-N629 PolarHBondContact O-N 3.01Å; L627-N629 VanDerWaalsContact O-N 3.08Å
628N27.6Very low29.9Very low132 Ų132132.8 Ų132.871%0.70673%0.729SS**  trans-75.390166.5-98.8-10.1000107.5I626I626-N628 HydrophobicContact CG2-CB 4.29Å; I626-N628 VanDerWaalsContact CG2-OD1 3.28Å; I626-N628 WeakPolarHBondContact CG2-OD1 3.46Å; I626-N628 PolarHBondContact O-N 3.1Å
629N28.1Very low30.3Very low147 Ų147135.4 Ų135.479%0.78675%0.745SS**  trans-140.648.2158.4-111.9-3.2000110.5L627L627-N629 VanDerWaalsContact C-N 3.32Å; L627-N629 PolarHBondContact O-N 3.01Å; L627-N629 VanDerWaalsContact O-N 3.08Å
630Q30.9Very low30.4Very low165 Ų165136.3 Ų136.377%0.77176%0.759SS**  trans-14686.6153.7-70.9-165.6-6.500108.7I632Q630-I632 PolarHBondContact O-N 3.32Å
631T26.8Very low30.8Very low136 Ų136134.5 Ų134.583%0.83477%0.768SS**  trans-68.9110.1170.8-40.70000108.6
632I29.8Very low30.9Very low144 Ų144140 Ų14074%0.73878%0.784SS**  trans-106.2104.4160.1-60.8178.3000106.3Q630 V634Q630-I632 PolarHBondContact O-N 3.32Å; I632-V634 PolarHBondContact O-N 3.32Å
633S30.1Very low31.4Very low99 Ų99139.2 Ų139.269%0.69279%0.789SS**  trans-68.9119.8169.950.40000109.6
634V30.9Very low31.8Very low115 Ų115141.4 Ų141.470%0.69779%0.794SS**  trans-102.6111.7163.3-1790000106.2I632I632-V634 PolarHBondContact O-N 3.32Å
635N33.6Very low32.2Very low155 Ų155143.7 Ų143.783%0.82980%0.796SS**  trans-92.6113.6163.8-79.4-15.4000107
636D34.1Very low32.4Very low142 Ų142143 Ų14376%0.75979%0.792SS**  trans-65.8128.1162-78.2-39.7000108.9
637D37.4Very low32.9Very low155 Ų155142.6 Ų142.683%0.82980%0.795SS**  trans-163.5107.5142.5-90.1-28.3000108
638D36.2Very low33.5Very low156 Ų156141.8 Ų141.883%0.83479%0.792SS**  trans28121.4152.3-71.3-30.5000120
639V37.1Very low34.4Very low134 Ų134139.6 Ų139.681%0.81278%0.783SS**  172.7126106.5162.20000109.4
640S35.1Very low35.5Very low120 Ų120142.3 Ų142.384%0.83979%0.788SS**  trans-15.3125.4170.962.20000119.6
641G35.1Very low36.7Very low76 Ų76136.9 Ų136.978%0.78477%0.768SS**  trans177.7117.3158.700000111.2D643G641-D643 PolarHBondContact O-N 2.88Å
642K31.9Very low38.9Very low208 Ų208135.5 Ų135.590%0.90476%0.759SS**  trans-66.7110.7173.3-78.9175.9174.1175.10108.8
643D35.5Very low41.5Very low162 Ų162135.4 Ų135.487%0.86676%0.756SS**  trans-157.5148.5155.9-92.8-33000110.9G641 L645G641-D643 PolarHBondContact O-N 2.88Å; D643-L645 PolarHBondContact O-N 2.88Å
644Q35.7Very low44.2Very low185 Ų185133.4 Ų133.486%0.86474%0.741SS**  trans-61.4125.4-169.7-67.11710.400112.5T646Q644-T646 PolarHBondContact O-N 3.04Å; Q644-T646 VanDerWaalsContact O-N 3.16Å
645L33.1Very low47.2Very low173 Ų173130.6 Ų130.691%0.90672%0.719SS**  trans-72.7101.2169.1-80.5157.7000110.2D643D643-L645 PolarHBondContact O-N 2.88Å
646T34.3Very low50Low111 Ų111127.5 Ų127.568%0.68170%0.698SS**  trans-81.5114.4161.335.60000109.8Q644Q644-T646 PolarHBondContact O-N 3.04Å; Q644-T646 VanDerWaalsContact O-N 3.16Å
647V37.8Very low52.9Low122 Ų122122.2 Ų122.274%0.73967%0.669SS**  trans-79.7116170.1178.90000108.9V649V647-V649 PolarHBondContact O-N 2.92Å
648D43.1Very low55.6Low141 Ų141119.4 Ų119.475%0.75466%0.659SS**  trans-75109.6170.2-86.7-25.7000110.3K650D648-K650 PolarHBondContact O-N 3.39Å
649V45.7Very low58.4Low85 Ų85112.5 Ų112.552%0.51562%0.622SS.*  trans-82.8105.5170.3-179.10000108.3P555 V647P555-V649 HydrophobicContact CB-CG1 4.32Å; V647-V649 PolarHBondContact O-N 2.92Å
650K52Low61.1Low205 Ų205108.3 Ų108.389%0.89160%0.595SS**  trans-84-0.8-177.1-86.8-176.5178175.50115.7D648D648-K650 PolarHBondContact O-N 3.39Å
651S56.5Low64Low50 Ų50103.8 Ų103.835%0.3556%0.56SS.*  trans-113.1124.4176.8-173.10000110.7P555 E653P555-S651 WeakPolarHBondContact CG-O 3.45Å; S651-E653 VanDerWaalsContact C-N 3.33Å; S651-E653 PolarHBondContact OG-N 3.25Å
652T71.2Confident66.8Low108 Ų108103.5 Ų103.566%0.66354%0.538SS*.  trans-90.4-0.5169.849.80000112
653E84.8Confident69.7Low141 Ų14195.6 Ų95.666%0.65951%0.512SS*.SBendtrans-79.5139.8-176.1-64.7-170.6171.700111.9S651S651-E653 VanDerWaalsContact C-N 3.33Å; S651-E653 PolarHBondContact OG-N 3.25Å
654P87.6Confident72.3Confident58 Ų5890.7 Ų90.738%0.37749%0.487SS..  trans-59.5141.6173-22.933.7000112I552 F553 H554I552-P654 HydrophobicContact CG2-CB 4.45Å; F553-P654 CarbonylContact O-C 3.5Å; F553-P654 WeakPolarHBondContact O-CA 3.36Å; F553-P654 WeakPolarHBondContact O-CB 3.42Å; H554-P654 WeakPolarHBondContact NE2-CG 3.37Å
655F93.2Very high74.9Confident55 Ų5585.3 Ų85.324%0.24146%0.46CS..EExtended strand (participates in β ladder)trans-121.6165.1174.567.9-87.4000111.4Y524 F526 A527 F553 P555Y524-F655 HydrophobicContact CD1-CE2 4.33Å; Y524-F655 HydrophobicContact CD1-CZ 4.36Å; Y524-F655 AromaticContact CD2-CE2 3.6Å; Y524-F655 HydrophobicContact CD2-CE2 3.6Å; Y524-F655 AromaticContact CD2-CZ 3.89Å; Y524-F655 HydrophobicContact CD2-CZ 3.89Å; Y524-F655 HydrophobicContact CE1-CE2 4.35Å; Y524-F655 AromaticContact CE2-CE2 3.64Å; Y524-F655 HydrophobicContact CE2-CE2 3.64Å; Y524-F655 HydrophobicContact CE2-CZ 4.38Å; Y524-F655 AromaticContact CG-CE2 3.96Å; Y524-F655 HydrophobicContact CG-CE2 3.96Å; Y524-F655 AromaticContact CG-CZ 3.88Å; Y524-F655 HydrophobicContact CG-CZ 3.88Å; F526-F655 HydrophobicContact CE2-CE1 4.12Å; F526-F655 AromaticContact CE2-CZ 3.99Å; F526-F655 HydrophobicContact CE2-CZ 3.99Å; F526-F655 HydrophobicContact CZ-CZ 4.42Å; A527-F655 HydrophobicContact CB-CE1 3.52Å; A527-F655 HydrophobicContact CB-CZ 3.55Å; F553-F655 HydrophobicContact CB-CD1 3.97Å; F553-F655 HydrophobicContact CB-CD2 4.05Å; F553-F655 HydrophobicContact CB-CE1 3.54Å; F553-F655 HydrophobicContact CB-CE2 3.63Å; F553-F655 HydrophobicContact CB-CG 4.21Å; F553-F655 HydrophobicContact CB-CZ 3.36Å; F553-F655 HydrophobicContact CD2-CD2 4.25Å; F553-F655 AromaticContact CD2-CE2 3.84Å; F553-F655 HydrophobicContact CD2-CE2 3.84Å; F553-F655 HydrophobicContact CD2-CZ 4.35Å; F553-F655 HydrophobicContact CG-CD2 4.46Å; F553-F655 HydrophobicContact CG-CE1 4.49Å; F553-F655 AromaticContact CG-CE2 3.82Å; F553-F655 HydrophobicContact CG-CE2 3.82Å; F553-F655 AromaticContact CG-CZ 3.84Å; F553-F655 HydrophobicContact CG-CZ 3.84Å; F553-F655 PolarHBondContact N-O 3.24Å; F553-F655 PolarHBondContact O-N 3.35Å; P555-F655 HydrophobicContact CG-CD1 4.38Å; P555-F655 HydrophobicContact CG-CE1 4.36Å
656F93.4Very high77.5Confident90 Ų9079.8 Ų79.840%0.39543%0.431SS..EExtended strand (participates in β ladder)trans-125.5138-170.7-54.7-84.4000111.4K533 C551 I552K533-F656 HydrophobicContact CD-CD1 4.2Å; K533-F656 HydrophobicContact CD-CE1 3.61Å; K533-F656 HydrophobicContact CD-CZ 4.29Å; C551-F656 VanDerWaalsContact O-CA 3.3Å; C551-F656 WeakPolarHBondContact O-CA 3.45Å; I552-F656 HydrophobicContact CB-CD1 4.46Å; I552-F656 HydrophobicContact CB-CE1 4.39Å; I552-F656 HydrophobicContact CG1-CD1 4.09Å; I552-F656 HydrophobicContact CG1-CE1 3.96Å; I552-F656 HydrophobicContact CG2-CD1 4.41Å; I552-F656 HydrophobicContact CG2-CE1 3.99Å
657E93.8Very high79.9Confident31 Ų3175.7 Ų75.715%0.14541%0.405CS..EExtended strand (participates in β ladder)trans-114.1117.8170.8-173-178.6-178.900109.2H523 Y524 S550 C551 F553H523-E657 IonicContact CE1-OE1 3.15Å; H523-E657 IonicContact CG-OE1 2.71Å; H523-E657 IonicContact ND1-OE1 3.44Å; H523-E657 PolarHBondContact ND1-OE1 2.89Å; H523-E657 IonicContact ND1-OE2 3.33Å; Y524-E657 HydrophobicContact CE2-CB 4.3Å; Y524-E657 HydrophobicContact CE2-CG 4.44Å; Y524-E657 VanDerWaalsContact CE2-OE2 3.31Å; Y524-E657 WeakPolarHBondContact CE2-OE2 3.36Å; S550-E657 CarbonylContact C-O 3.44Å; S550-E657 WeakPolarHBondContact CA-O 3.2Å; S550-E657 VanDerWaalsContact CB-O 3.29Å; S550-E657 WeakPolarHBondContact CB-O 3.09Å; C551-E657 PolarHBondContact N-O 3.38Å; C551-E657 PolarHBondContact O-N 3.24Å; F553-E657 HydrophobicContact CD2-CB 4.38Å; F553-E657 HydrophobicContact CE2-CB 3.69Å
658P95.6Very high82.1Confident96 Ų9670.3 Ų70.362%0.62337%0.371SS*.EExtended strand (participates in β ladder)trans-57139.9173.9-24.434.4000112.1V549V549-P658 WeakPolarHBondContact O-CA 3.4Å
659I93.8Very high84.1Confident11 Ų1166 Ų666%0.05635%0.351CS..EExtended strand (participates in β ladder)trans-126.2153.2176.360.7168.5000110.7T514 V517 A520 V532 V549 C551T514-I659 HydrophobicContact CG2-CD1 4.21Å; V517-I659 HydrophobicContact CG2-CD1 3.54Å; A520-I659 HydrophobicContact CB-CG2 3.79Å; V532-I659 HydrophobicContact CG1-CD1 3.94Å; V532-I659 HydrophobicContact CG2-CD1 4.34Å; V549-I659 HydrophobicContact CB-CD1 4.34Å; V549-I659 HydrophobicContact CB-CG1 3.87Å; V549-I659 HydrophobicContact CG1-CD1 3.66Å; V549-I659 HydrophobicContact CG1-CG1 3.71Å; V549-I659 PolarHBondContact O-N 3.18Å; C551-I659 HydrophobicContact CB-CG2 4.4Å
660D94.9Very high86Confident46 Ų4663.3 Ų63.325%0.24633%0.334CS..EExtended strand (participates in β ladder)trans-71.1151.2175.1-62.4-43.3000110.7R515 T621R515-D660 HydrophobicContact CB-CB 4.22Å; R515-D660 PolarHBondContact N-O 2.86Å; T621-D660 PolarHBondContact N-OD1 3.44Å
661Y94.9Very high87.7Confident25 Ų2554.3 Ų54.310%0.09830%0.295CS..EExtended strand (participates in β ladder)trans-149.5157.817562.2-84.3000110.2I512 T513 L546 V549 A663I512-Y661 HydrophobicContact CG2-CD2 4.21Å; T513-Y661 CarbonylContact O-C 3.53Å; T513-Y661 VanDerWaalsContact O-CA 3.29Å; T513-Y661 WeakPolarHBondContact O-CA 3.19Å; L546-Y661 HydrophobicContact CD2-CD2 3.56Å; L546-Y661 HydrophobicContact CD2-CE2 3.41Å; L546-Y661 VanDerWaalsContact CD2-CE2 3.41Å; L546-Y661 HydrophobicContact CD2-CG 4.26Å; L546-Y661 HydrophobicContact CG-CD2 4.44Å; L546-Y661 HydrophobicContact CG-CE2 3.86Å; L546-Y661 PolarHBondContact O-OH 3.24Å; V549-Y661 HydrophobicContact CB-CD1 4.03Å; V549-Y661 HydrophobicContact CG2-CD1 3.61Å; V549-Y661 HydrophobicContact CG2-CD2 4.49Å; V549-Y661 HydrophobicContact CG2-CE1 4.14Å; V549-Y661 HydrophobicContact CG2-CG 3.81Å; Y661-A663 HydrophobicContact CD2-CB 4.43Å; Y661-A663 HydrophobicContact CE2-CB 4.46Å
662E94.8Very high89.3Confident70 Ų7054.3 Ų54.333%0.32729%0.294SS..EExtended strand (participates in β ladder)trans-114.6130.2168.6-177.6174-177.600108.4I512 T513 R515 V664I512-E662 CarbonylContact C-O 3.56Å; I512-E662 VanDerWaalsContact CA-O 3.26Å; I512-E662 WeakPolarHBondContact CA-O 3.47Å; T513-E662 PolarHBondContact N-O 3.43Å; T513-E662 PolarHBondContact O-N 2.95Å; R515-E662 IonicContact CZ-OE2 3.33Å; R515-E662 IonicContact NE-OE2 3.69Å; R515-E662 IonicContact NH2-OE2 2.74Å; R515-E662 PolarHBondContact NH2-OE2 3.11Å; E662-V664 HydrophobicContact CG-CG2 4.34Å
663A92.1Very high90.3Very high42 Ų4252.2 Ų52.235%0.34729%0.287SS..EExtended strand (participates in β ladder)trans-116126.3174.700000109H511 I512 Y661H511-A663 WeakPolarHBondContact O-CA 3.42Å; I512-A663 HydrophobicContact CG1-CB 4.12Å; Y661-A663 HydrophobicContact CD2-CB 4.43Å; Y661-A663 HydrophobicContact CE2-CB 4.46Å
664V90.8Very high90.7Very high59 Ų5953.4 Ų53.436%0.35829%0.29SS..EExtended strand (participates in β ladder)trans-115.1119177.2-178.70000108S510 H511 E662 L666S510-V664 CarbonylContact C-O 3.53Å; S510-V664 WeakPolarHBondContact CA-O 3.46Å; S510-V664 WeakPolarHBondContact CB-O 3.36Å; H511-V664 PolarHBondContact N-O 3.46Å; H511-V664 PolarHBondContact O-N 3.42Å; E662-V664 HydrophobicContact CG-CG2 4.34Å; V664-L666 HydrophobicContact CG1-CD2 4.06Å
665Y88.8Confident90.9Very high73 Ų7353.3 Ų53.329%0.28629%0.285SS..EExtended strand (participates in β ladder)trans-75.5128.6173.2-65.1-73.6000110.3L509L509-Y665 WeakPolarHBondContact O-CA 3.41Å
666L87.5Confident91Very high56 Ų5652.2 Ų52.229%0.29328%0.281SS..SBendtrans-110.1-24.6-172.3-63.2-179.1000113.1Y489 N506 N508 L509 H511 V664Y489-L666 HydrophobicContact CD1-CD1 3.98Å; Y489-L666 HydrophobicContact CE1-CD1 4.01Å; N506-L666 PolarHBondContact ND2-O 2.86Å; N508-L666 HydrophobicContact CB-CB 4.28Å; N508-L666 HydrophobicContact CB-CD1 3.85Å; N508-L666 CarbonylContact O-C 3.48Å; N508-L666 WeakPolarHBondContact O-CB 3.21Å; L509-L666 PolarHBondContact O-N 2.82Å; H511-L666 HydrophobicContact CB-CD1 3.86Å; H511-L666 HydrophobicContact CB-CG 4.31Å; V664-L666 HydrophobicContact CG1-CD2 4.06Å
667D84.9Confident91.1Very high25 Ų2553 Ų5313%0.13429%0.289CS..SBendtrans-70.3-42.8176.855.9-22.4000111.6A168 R171 N508 L509A168-D667 HydrophobicContact CB-CB 4.46Å; A168-D667 PolarHBondContact N-OD2 3.25Å; R171-D667 IonicContact CZ-OD1 3.36Å; R171-D667 IonicContact CZ-OD2 2.62Å; R171-D667 IonicContact NH1-OD1 3.36Å; R171-D667 IonicContact NH1-OD2 2.94Å; R171-D667 PolarHBondContact NH1-OD2 2.82Å; R171-D667 IonicContact NH2-OD1 3.67Å; R171-D667 PolarHBondContact NH2-OD1 3.09Å; R171-D667 IonicContact NH2-OD2 3.13Å; R171-D667 PolarHBondContact NH2-OD2 2.84Å; N508-D667 PolarHBondContact O-N 2.91Å; N508-D667 VanDerWaalsContact O-N 3.16Å; L509-D667 HydrophobicContact CD2-CB 4.06Å; L509-D667 VanDerWaalsContact O-OD1 3.07Å
668F85.2Confident91.2Very high9 Ų955.6 Ų55.64%0.03931%0.306CS..SBendtrans-156.3120.6175.6-155.4-67.9000110.9G90 S116 G117 Q118 A168 R171 R172G90-F668 VanDerWaalsContact CA-CE2 3.48Å; S116-F668 WeakPolarHBondContact O-CE1 3.4Å; G117-F668 WeakPolarHBondContact O-CE2 3.45Å; G117-F668 WeakPolarHBondContact O-CZ 3.39Å; Q118-F668 HydrophobicContact CG-CZ 4.38Å; A168-F668 HydrophobicContact CB-CB 3.74Å; A168-F668 HydrophobicContact CB-CG 4.49Å; R171-F668 PolarHBondContact NH2-O 3.11Å; R172-F668 VanDerWaalsContact CZ-CD1 3.49Å
669P85.2Confident91.2Very high51 Ų5151.3 Ų51.333%0.33128%0.279SS..PPolyproline II helixtrans-66.4134.2179.2-19.832000112.8R172R172-P669 PolarHBondContact NH2-O 3.03Å
670D85.7Confident91.3Very high29 Ų2954 Ų5416%0.15529%0.291CS..PPolyproline II helixtrans-64.8146.8175.9-78.4-7.5000112.5Q175 H614 T672Q175-D670 VanDerWaalsContact NE2-CA 3.33Å; Q175-D670 PolarHBondContact NE2-OD1 2.93Å; H614-D670 IonicContact CE1-OD2 3.95Å; H614-D670 IonicContact ND1-OD2 2.9Å; D670-T672 PolarHBondContact O-N 3.2Å
671L87.3Confident91.3Very high15 Ų1554.8 Ų54.88%0.07930%0.3CS..PPolyproline II helixtrans-58.1128.9173.5-70.7177.9000110.2Q118 R172 Q175 I179 E675Q118-L671 VanDerWaalsContact NE2-CD2 3.25Å; R172-L671 VanDerWaalsContact NH1-CD2 3.34Å; Q175-L671 HydrophobicContact CB-CD1 4.1Å; I179-L671 HydrophobicContact CD1-CD1 3.88Å; I179-L671 HydrophobicContact CG1-CD1 4.4Å; L671-E675 HydrophobicContact CD2-CB 4.16Å
672T90.5Very high91.3Very high51 Ų5156.1 Ų56.131%0.31331%0.306SS..PPolyproline II helixtrans-67.2152.516964.90000110D670 K674 E675 L676D670-T672 PolarHBondContact O-N 3.2Å; T672-K674 PolarHBondContact O-N 3.1Å; T672-K674 VanDerWaalsContact O-N 3.07Å; T672-E675 WeakPolarHBondContact CB-OE2 3.36Å; T672-E675 WeakPolarHBondContact CG2-OE2 3.33Å; T672-E675 PolarHBondContact N-OE2 3.25Å; T672-E675 PolarHBondContact O-N 2.84Å; T672-E675 VanDerWaalsContact OG1-CD 3.28Å; T672-E675 VanDerWaalsContact OG1-CG 3.26Å; T672-E675 WeakPolarHBondContact OG1-CG 3.47Å; T672-E675 PolarHBondContact OG1-N 3.23Å; T672-E675 PolarHBondContact OG1-OE2 3.26Å; T672-L676 PolarHBondContact O-N 3Å
673A91.4Very high91.3Very high64 Ų6452.8 Ų52.853%0.52929%0.291SS..Hα-helixtrans-54.2-32.1174.600000112.5I677A673-I677 WeakPolarHBondContact O-CB 3.01Å; A673-I677 WeakPolarHBondContact O-CD1 3.44Å; A673-I677 WeakPolarHBondContact O-CG1 3.49Å; A673-I677 PolarHBondContact O-N 3.02Å; A673-I677 VanDerWaalsContact O-N 3.08Å
674K93.8Very high91.4Very high166 Ų16654.3 Ų54.372%0.72229%0.29SS*.Hα-helixtrans-67.4-46.4175.6-175.2-177.9175.4-173.40112T672 I677 V678T672-K674 PolarHBondContact O-N 3.1Å; T672-K674 VanDerWaalsContact O-N 3.07Å; K674-I677 PolarHBondContact O-N 3.09Å; K674-V678 VanDerWaalsContact O-CG2 3.28Å; K674-V678 WeakPolarHBondContact O-CG2 3.47Å; K674-V678 PolarHBondContact O-N 3.18Å
675E92.4Very high91.6Very high56 Ų5658.7 Ų58.726%0.26231%0.305SS..Hα-helixtrans-63.9-42.9177.7-71.7161.313700111.2S116 L671 T672 I677 V678 S679S116-E675 WeakPolarHBondContact CB-OE1 3.34Å; L671-E675 HydrophobicContact CD2-CB 4.16Å; T672-E675 WeakPolarHBondContact CB-OE2 3.36Å; T672-E675 WeakPolarHBondContact CG2-OE2 3.33Å; T672-E675 PolarHBondContact N-OE2 3.25Å; T672-E675 PolarHBondContact O-N 2.84Å; T672-E675 VanDerWaalsContact OG1-CD 3.28Å; T672-E675 VanDerWaalsContact OG1-CG 3.26Å; T672-E675 WeakPolarHBondContact OG1-CG 3.47Å; T672-E675 PolarHBondContact OG1-N 3.23Å; T672-E675 PolarHBondContact OG1-OE2 3.26Å; E675-I677 PolarHBondContact O-N 3.29Å; E675-V678 PolarHBondContact O-N 3.08Å; E675-S679 PolarHBondContact O-N 3.47Å; E675-S679 PolarHBondContact O-OG 2.72Å
676L93.3Very high91.8Very high32 Ų3257 Ų5717%0.16830%0.3CS..Hα-helixtrans-55.8-50174.917959.6000111.6E178 I179 T672 V678 S679 Q680E178-L676 HydrophobicContact CB-CD1 4.26Å; I179-L676 HydrophobicContact CB-CD1 4.39Å; I179-L676 HydrophobicContact CG1-CD1 3.54Å; T672-L676 PolarHBondContact O-N 3Å; L676-V678 VanDerWaalsContact C-N 3.32Å; L676-V678 PolarHBondContact O-N 3.48Å; L676-S679 PolarHBondContact O-N 3.26Å; L676-Q680 HydrophobicContact CD1-CG 4.23Å; L676-Q680 WeakPolarHBondContact O-CB 3.44Å; L676-Q680 WeakPolarHBondContact O-CG 3.32Å; L676-Q680 PolarHBondContact O-N 2.87Å
677I95.5Very high92Very high107 Ų10757.8 Ų57.855%0.54930%0.299SS..Hα-helixtrans-62.1-39.1178.4-70.2165.7000111.6A673 K674 E675 S681A673-I677 WeakPolarHBondContact O-CB 3.01Å; A673-I677 WeakPolarHBondContact O-CD1 3.44Å; A673-I677 WeakPolarHBondContact O-CG1 3.49Å; A673-I677 PolarHBondContact O-N 3.02Å; A673-I677 VanDerWaalsContact O-N 3.08Å; K674-I677 PolarHBondContact O-N 3.09Å; E675-I677 PolarHBondContact O-N 3.29Å; I677-S681 VanDerWaalsContact O-CB 3.27Å; I677-S681 WeakPolarHBondContact O-CB 3.45Å; I677-S681 PolarHBondContact O-N 3.29Å
678V95.9Very high92.4Very high84 Ų8460.1 Ų60.151%0.50931%0.309SS..Hα-helixtrans-63.9-47.9177.7168.90000110.7K674 E675 L676 S681 K682K674-V678 VanDerWaalsContact O-CG2 3.28Å; K674-V678 WeakPolarHBondContact O-CG2 3.47Å; K674-V678 PolarHBondContact O-N 3.18Å; E675-V678 PolarHBondContact O-N 3.08Å; L676-V678 VanDerWaalsContact C-N 3.32Å; L676-V678 PolarHBondContact O-N 3.48Å; V678-S681 PolarHBondContact O-N 2.89Å; V678-K682 WeakPolarHBondContact O-CB 3.41Å; V678-K682 PolarHBondContact O-N 3.45Å
679S95.7Very high92.7Very high7 Ų761.6 Ų61.65%0.04932%0.323CS..Hα-helixtrans-61.5-46.2177.2-62.40000111.7E675 L676 K682 L683E675-S679 PolarHBondContact O-N 3.47Å; E675-S679 PolarHBondContact O-OG 2.72Å; L676-S679 PolarHBondContact O-N 3.26Å; S679-K682 WeakPolarHBondContact O-CB 3.22Å; S679-K682 PolarHBondContact O-N 3.24Å; S679-L683 PolarHBondContact O-N 3.22Å
680Q96.1Very high93Very high68 Ų6861.2 Ų61.232%0.31833%0.325SS..Hα-helixtrans-61.5-45.4177.1-75.2175.6-20.700112.2E178 I179 L676 K682 L683 E684E178-Q680 PolarHBondContact O-NE2 3.04Å; I179-Q680 HydrophobicContact CG2-CG 4.41Å; L676-Q680 HydrophobicContact CD1-CG 4.23Å; L676-Q680 WeakPolarHBondContact O-CB 3.44Å; L676-Q680 WeakPolarHBondContact O-CG 3.32Å; L676-Q680 PolarHBondContact O-N 2.87Å; Q680-K682 VanDerWaalsContact C-N 3.26Å; Q680-K682 PolarHBondContact O-N 3.47Å; Q680-L683 PolarHBondContact O-N 3.16Å; Q680-E684 WeakPolarHBondContact O-CB 3.34Å; Q680-E684 PolarHBondContact O-N 2.85Å
681S96.4Very high93.3Very high61 Ų6165.6 Ų65.643%0.42734%0.342SS..Hα-helixtrans-62.1-36177.8-179.30000112.2I677 V678 K685I677-S681 VanDerWaalsContact O-CB 3.27Å; I677-S681 WeakPolarHBondContact O-CB 3.45Å; I677-S681 PolarHBondContact O-N 3.29Å; V678-S681 PolarHBondContact O-N 2.89Å; S681-K685 WeakPolarHBondContact O-CG 3.28Å; S681-K685 PolarHBondContact O-N 3.41Å
682K94.7Very high93.5Very high54 Ų5471.4 Ų71.424%0.23537%0.369CS..Hα-helixtrans-69.9-43.7177.1-170.6-170.6-172.2179.70112.2V128 F129 E133 V678 S679 Q680 E684 K685 L686V128-K682 PolarHBondContact O-NZ 3.04Å; F129-K682 HydrophobicContact CD1-CD 4.49Å; F129-K682 HydrophobicContact CE1-CD 4.29Å; F129-K682 VanDerWaalsContact CE1-CE 3.44Å; E133-K682 VanDerWaalsContact CD-NZ 3.25Å; E133-K682 WeakPolarHBondContact OE1-CD 3.24Å; E133-K682 IonicContact OE1-NZ 2.8Å; E133-K682 PolarHBondContact OE1-NZ 3.48Å; E133-K682 IonicContact OE2-NZ 3.03Å; E133-K682 PolarHBondContact OE2-NZ 3.25Å; V678-K682 WeakPolarHBondContact O-CB 3.41Å; V678-K682 PolarHBondContact O-N 3.45Å; S679-K682 WeakPolarHBondContact O-CB 3.22Å; S679-K682 PolarHBondContact O-N 3.24Å; Q680-K682 VanDerWaalsContact C-N 3.26Å; Q680-K682 PolarHBondContact O-N 3.47Å; K682-E684 VanDerWaalsContact C-N 3.32Å; K682-K685 PolarHBondContact O-N 3.32Å; K682-L686 PolarHBondContact O-N 3.36Å
683L94.1Very high93.4Very high0 Ų072.6 Ų72.60%037%0.37CS..Hα-helixtrans-64.3-38.1175.1-95.960.6000111.4E133 A136 M137 E140 I179 S679 Q680 K685 L686 R687E133-L683 HydrophobicContact CB-CD1 4.15Å; E133-L683 HydrophobicContact CG-CD1 4.26Å; A136-L683 HydrophobicContact CB-CD2 3.65Å; M137-L683 HydrophobicContact CE-CD1 3.75Å; M137-L683 HydrophobicContact CE-CG 4.4Å; M137-L683 HydrophobicContact CG-CD1 4.29Å; M137-L683 HydrophobicContact CG-CD2 4.15Å; M137-L683 HydrophobicContact CG-CG 4.08Å; E140-L683 WeakPolarHBondContact OE1-CD2 3.45Å; I179-L683 HydrophobicContact CG2-CD2 3.79Å; S679-L683 PolarHBondContact O-N 3.22Å; Q680-L683 PolarHBondContact O-N 3.16Å; L683-K685 PolarHBondContact O-N 3.44Å; L683-L686 CarbonylContact O-C 3.52Å; L683-L686 WeakPolarHBondContact O-CB 3.49Å; L683-L686 PolarHBondContact O-N 3.22Å; L683-L686 VanDerWaalsContact O-N 3.07Å; L683-R687 WeakPolarHBondContact O-CG 3.37Å; L683-R687 PolarHBondContact O-N 2.64Å
684E94.8Very high93.4Very high74 Ų7472.3 Ų72.335%0.34637%0.367SS..Hα-helixtrans-58.5-44.4174.3-175.761.5-169.300112.2Q680 K682 L686 R687 E688Q680-E684 WeakPolarHBondContact O-CB 3.34Å; Q680-E684 PolarHBondContact O-N 2.85Å; K682-E684 VanDerWaalsContact C-N 3.32Å; E684-L686 VanDerWaalsContact C-N 3.27Å; E684-L686 PolarHBondContact O-N 2.84Å; E684-R687 WeakPolarHBondContact O-CB 3.47Å; E684-R687 PolarHBondContact O-N 3.09Å; E684-R687 WeakPolarHBondContact OE2-CD 3.39Å; E684-R687 IonicContact OE2-CZ 3.81Å; E684-R687 IonicContact OE2-NE 2.78Å; E684-R687 IonicContact OE2-NH1 3.38Å; E684-R687 PolarHBondContact OE2-NH1 2.97Å; E684-E688 PolarHBondContact O-N 3.31Å
685K94.2Very high93.3Very high151 Ų15165.8 Ų65.866%0.65734%0.344SS*.Hα-helixtrans-59.2-38.4174.6-70173.5-175.7177.40112.5S681 K682 L683 A689S681-K685 WeakPolarHBondContact O-CG 3.28Å; S681-K685 PolarHBondContact O-N 3.41Å; K682-K685 PolarHBondContact O-N 3.32Å; L683-K685 PolarHBondContact O-N 3.44Å; K685-A689 WeakPolarHBondContact O-CB 3.37Å; K685-A689 PolarHBondContact O-N 2.99Å
686L93.3Very high93.3Very high36 Ų3664.8 Ų64.819%0.18834%0.341CS..Hα-helixtrans-72.4-28.3176.7-65169.7000112.5R64 F129 M137 K682 L683 E684 A690R64-L686 PolarHBondContact NH2-O 2.93Å; F129-L686 HydrophobicContact CE1-CD1 3.87Å; F129-L686 HydrophobicContact CZ-CD1 4.13Å; M137-L686 HydrophobicContact CE-CD1 3.45Å; M137-L686 VanDerWaalsContact CE-CD1 3.45Å; M137-L686 HydrophobicContact SD-CD1 4.24Å; K682-L686 PolarHBondContact O-N 3.36Å; L683-L686 CarbonylContact O-C 3.52Å; L683-L686 WeakPolarHBondContact O-CB 3.49Å; L683-L686 PolarHBondContact O-N 3.22Å; L683-L686 VanDerWaalsContact O-N 3.07Å; E684-L686 VanDerWaalsContact C-N 3.27Å; E684-L686 PolarHBondContact O-N 2.84Å; L686-A690 WeakPolarHBondContact O-CB 3.43Å; L686-A690 PolarHBondContact O-N 3.04Å; L686-A690 VanDerWaalsContact O-N 3.16Å
687R91.8Very high93.3Very high73 Ų7365.7 Ų65.728%0.27535%0.346SS..Hα-helixtrans-69.1-48171.7-67.8175.9-140.9158.9-4.8110.7E140 L683 E684 A689 A690 K691E140-R687 IonicContact OE1-CZ 3.99Å; E140-R687 IonicContact OE1-NE 3.97Å; E140-R687 PolarHBondContact OE1-NE 3.06Å; E140-R687 IonicContact OE1-NH2 2.8Å; E140-R687 PolarHBondContact OE1-NH2 3.19Å; E140-R687 IonicContact OE2-NE 3.89Å; L683-R687 WeakPolarHBondContact O-CG 3.37Å; L683-R687 PolarHBondContact O-N 2.64Å; E684-R687 WeakPolarHBondContact O-CB 3.47Å; E684-R687 PolarHBondContact O-N 3.09Å; E684-R687 WeakPolarHBondContact OE2-CD 3.39Å; E684-R687 IonicContact OE2-CZ 3.81Å; E684-R687 IonicContact OE2-NE 2.78Å; E684-R687 IonicContact OE2-NH1 3.38Å; E684-R687 PolarHBondContact OE2-NH1 2.97Å; R687-A689 PolarHBondContact O-N 2.83Å; R687-A690 PolarHBondContact O-N 3.21Å; R687-A690 VanDerWaalsContact O-N 3.16Å; R687-K691 WeakPolarHBondContact O-CG 3.28Å; R687-K691 PolarHBondContact O-N 2.85Å
688E93.1Very high93.2Very high74 Ų7467.3 Ų67.335%0.34635%0.351SS..Hα-helixtrans-61.5-44.9178.6-68-53.8114.700111.4E684 A690 K691 E692E684-E688 PolarHBondContact O-N 3.31Å; E688-A690 VanDerWaalsContact C-N 3.3Å; E688-A690 PolarHBondContact O-N 2.97Å; E688-K691 PolarHBondContact O-N 2.82Å; E688-K691 VanDerWaalsContact O-N 3.15Å; E688-K691 WeakPolarHBondContact OE1-CD 3.03Å; E688-K691 WeakPolarHBondContact OE1-CE 3.34Å; E688-K691 IonicContact OE1-NZ 3.9Å; E688-K691 PolarHBondContact OE1-NZ 3.34Å; E688-E692 WeakPolarHBondContact O-CG 3.19Å; E688-E692 PolarHBondContact O-N 2.9Å
689A91.7Very high93.1Very high40 Ų4063.7 Ų63.733%0.33133%0.329SS..Hα-helixtrans-59.2-39.4174.100000112.8K685 R687 K693K685-A689 WeakPolarHBondContact O-CB 3.37Å; K685-A689 PolarHBondContact O-N 2.99Å; R687-A689 PolarHBondContact O-N 2.83Å; A689-K693 WeakPolarHBondContact O-CB 3.43Å; A689-K693 PolarHBondContact O-N 3.5Å
690A90.8Very high93Very high44 Ų4465 Ų6536%0.36434%0.335SS..Hα-helixtrans-68.6-38.1176.100000112.4L686 R687 E688 K693 A694L686-A690 WeakPolarHBondContact O-CB 3.43Å; L686-A690 PolarHBondContact O-N 3.04Å; L686-A690 VanDerWaalsContact O-N 3.16Å; R687-A690 PolarHBondContact O-N 3.21Å; R687-A690 VanDerWaalsContact O-N 3.16Å; E688-A690 VanDerWaalsContact C-N 3.3Å; E688-A690 PolarHBondContact O-N 2.97Å; A690-K693 PolarHBondContact O-N 3.46Å; A690-A694 WeakPolarHBondContact O-CB 3.39Å; A690-A694 PolarHBondContact O-N 3.37Å
691K92Very high92.9Very high121 Ų12166 Ų6653%0.52634%0.343SS..Hα-helixtrans-64.1-44.9174.4-72175.1-171.4165.80111.4R687 E688 K693 A694 A695R687-K691 WeakPolarHBondContact O-CG 3.28Å; R687-K691 PolarHBondContact O-N 2.85Å; E688-K691 PolarHBondContact O-N 2.82Å; E688-K691 VanDerWaalsContact O-N 3.15Å; E688-K691 WeakPolarHBondContact OE1-CD 3.03Å; E688-K691 WeakPolarHBondContact OE1-CE 3.34Å; E688-K691 IonicContact OE1-NZ 3.9Å; E688-K691 PolarHBondContact OE1-NZ 3.34Å; K691-K693 VanDerWaalsContact C-N 3.34Å; K691-A694 PolarHBondContact O-N 3.08Å; K691-A695 VanDerWaalsContact O-CB 3.31Å; K691-A695 WeakPolarHBondContact O-CB 3.5Å; K691-A695 PolarHBondContact O-N 2.8Å
692E91.4Very high92.9Very high137 Ų13766.6 Ų66.664%0.6434%0.341SS*.Hα-helixtrans-60.7-44.3176-72.5177.9177.200111.4E688 A695 L696E688-E692 WeakPolarHBondContact O-CG 3.19Å; E688-E692 PolarHBondContact O-N 2.9Å; E692-A695 PolarHBondContact O-N 2.86Å; E692-L696 WeakPolarHBondContact O-CB 3.45Å; E692-L696 PolarHBondContact O-N 3.35Å
693K90.2Very high92.9Very high75 Ų7564 Ų6433%0.32633%0.33SS..Hα-helixtrans-63.4-46.6176.3179.855.4178155.50112.2A689 A690 K691 A695 L696 D697A689-K693 WeakPolarHBondContact O-CB 3.43Å; A689-K693 PolarHBondContact O-N 3.5Å; A690-K693 PolarHBondContact O-N 3.46Å; K691-K693 VanDerWaalsContact C-N 3.34Å; K693-A695 VanDerWaalsContact C-N 3.3Å; K693-A695 PolarHBondContact O-N 3.48Å; K693-L696 WeakPolarHBondContact O-CB 3.45Å; K693-L696 PolarHBondContact O-N 3.05Å; K693-D697 WeakPolarHBondContact CE-OD1 3.46Å; K693-D697 VanDerWaalsContact CE-OD2 3.29Å; K693-D697 WeakPolarHBondContact CE-OD2 3.34Å; K693-D697 IonicContact NZ-OD1 2.96Å; K693-D697 PolarHBondContact NZ-OD1 3.13Å; K693-D697 IonicContact NZ-OD2 2.65Å; K693-D697 PolarHBondContact O-N 3.09Å
694A90Very high93Very high58 Ų5868 Ų6848%0.47935%0.349SS..Hα-helixtrans-61.6-39.3176.500000112A690 K691 D697 Q698A690-A694 WeakPolarHBondContact O-CB 3.39Å; A690-A694 PolarHBondContact O-N 3.37Å; K691-A694 PolarHBondContact O-N 3.08Å; A694-D697 PolarHBondContact O-N 2.74Å; A694-Q698 WeakPolarHBondContact O-CB 3.31Å; A694-Q698 PolarHBondContact O-N 2.69Å
695A92.7Very high93Very high29 Ų2968 Ų6824%0.2435%0.353CS..Hα-helixtrans-67.4-36175.900000112.5K691 E692 K693 S699 K750K691-A695 VanDerWaalsContact O-CB 3.31Å; K691-A695 WeakPolarHBondContact O-CB 3.5Å; K691-A695 PolarHBondContact O-N 2.8Å; E692-A695 PolarHBondContact O-N 2.86Å; K693-A695 VanDerWaalsContact C-N 3.3Å; K693-A695 PolarHBondContact O-N 3.48Å; A695-S699 PolarHBondContact O-N 3.19Å; A695-S699 PolarHBondContact O-OG 3.2Å; A695-K750 HydrophobicContact CB-CD 4.01Å
696L92.6Very high93Very high36 Ų3661.9 Ų61.919%0.18833%0.328CS..Hα-helixtrans-64-51.8171.4173.661.5000110.9E692 K693 Q698 S699 I700 K750 Y753E692-L696 WeakPolarHBondContact O-CB 3.45Å; E692-L696 PolarHBondContact O-N 3.35Å; K693-L696 WeakPolarHBondContact O-CB 3.45Å; K693-L696 PolarHBondContact O-N 3.05Å; L696-Q698 VanDerWaalsContact C-N 3.25Å; L696-Q698 PolarHBondContact O-N 2.91Å; L696-S699 WeakPolarHBondContact O-CA 3.25Å; L696-S699 WeakPolarHBondContact O-CB 3.26Å; L696-S699 PolarHBondContact O-N 3.01Å; L696-I700 HydrophobicContact CD1-CD1 4.24Å; L696-I700 HydrophobicContact CD1-CG1 4.31Å; L696-I700 HydrophobicContact CG-CD1 4.01Å; L696-I700 HydrophobicContact CG-CG1 4.47Å; L696-I700 WeakPolarHBondContact O-CG1 3.16Å; L696-I700 PolarHBondContact O-N 3.16Å; L696-K750 HydrophobicContact CD1-CB 4.11Å; L696-Y753 HydrophobicContact CD1-CD2 3.77Å; L696-Y753 HydrophobicContact CD1-CE2 3.68Å
697D91.5Very high93.1Very high51 Ų5161 Ų6127%0.27332%0.323SS..Hα-helixtrans-61.8-34.6-179.2-67.2-18.4000111.8K693 A694 I700 N701K693-D697 WeakPolarHBondContact CE-OD1 3.46Å; K693-D697 VanDerWaalsContact CE-OD2 3.29Å; K693-D697 WeakPolarHBondContact CE-OD2 3.34Å; K693-D697 IonicContact NZ-OD1 2.96Å; K693-D697 PolarHBondContact NZ-OD1 3.13Å; K693-D697 IonicContact NZ-OD2 2.65Å; K693-D697 PolarHBondContact O-N 3.09Å; A694-D697 PolarHBondContact O-N 2.74Å; D697-I700 PolarHBondContact O-N 3.4Å; D697-N701 WeakPolarHBondContact O-CB 3.25Å; D697-N701 PolarHBondContact O-N 3.41Å; D697-N701 PolarHBondContact O-ND2 2.94Å
698Q93.9Very high93.1Very high140 Ų14062 Ų6265%0.65433%0.333SS*.Hα-helixtrans-63.1-43.8171.5-173.5179.8400112.1A694 L696 L702A694-Q698 WeakPolarHBondContact O-CB 3.31Å; A694-Q698 PolarHBondContact O-N 2.69Å; L696-Q698 VanDerWaalsContact C-N 3.25Å; L696-Q698 PolarHBondContact O-N 2.91Å; Q698-L702 WeakPolarHBondContact O-CB 3.47Å; Q698-L702 PolarHBondContact O-N 3.24Å
699S94.8Very high93.1Very high8 Ų862.6 Ų62.66%0.05634%0.339CS..Hα-helixtrans-66-37.3175.4-69.20000111.9A695 L696 L702 L703 D754 I757A695-S699 PolarHBondContact O-N 3.19Å; A695-S699 PolarHBondContact O-OG 3.2Å; L696-S699 WeakPolarHBondContact O-CA 3.25Å; L696-S699 WeakPolarHBondContact O-CB 3.26Å; L696-S699 PolarHBondContact O-N 3.01Å; S699-L702 PolarHBondContact O-N 3.1Å; S699-L703 PolarHBondContact O-N 2.96Å; S699-D754 PolarHBondContact OG-OD1 3.06Å; S699-I757 WeakPolarHBondContact O-CD1 3.45Å
700I94Very high93.2Very high34 Ų3460.9 Ų60.917%0.17432%0.324CS..Hα-helixtrans-58.4-57173.6-66.6173.7000110.2L696 D697 L702 L703 E704 F741 Y753L696-I700 HydrophobicContact CD1-CD1 4.24Å; L696-I700 HydrophobicContact CD1-CG1 4.31Å; L696-I700 HydrophobicContact CG-CD1 4.01Å; L696-I700 HydrophobicContact CG-CG1 4.47Å; L696-I700 WeakPolarHBondContact O-CG1 3.16Å; L696-I700 PolarHBondContact O-N 3.16Å; D697-I700 PolarHBondContact O-N 3.4Å; I700-L702 VanDerWaalsContact C-N 3.28Å; I700-L702 PolarHBondContact O-N 2.8Å; I700-L703 PolarHBondContact O-N 2.98Å; I700-E704 PolarHBondContact O-N 2.78Å; I700-F741 HydrophobicContact CG2-CE2 4.03Å; I700-F741 HydrophobicContact CG2-CZ 4.13Å; I700-Y753 HydrophobicContact CB-CE1 4.27Å; I700-Y753 HydrophobicContact CD1-CE2 4.32Å; I700-Y753 HydrophobicContact CG1-CD1 4.17Å; I700-Y753 HydrophobicContact CG1-CD2 4.28Å; I700-Y753 HydrophobicContact CG1-CE1 3.65Å; I700-Y753 HydrophobicContact CG1-CE2 3.76Å; I700-Y753 HydrophobicContact CG1-CG 4.47Å; I700-Y753 WeakPolarHBondContact CG1-OH 3.39Å
701N93.9Very high93.3Very high90 Ų9063 Ų6348%0.48133%0.329SS..Hα-helixtrans-62-37.1-177.7-68.2-24000111.8D697 T705D697-N701 WeakPolarHBondContact O-CB 3.25Å; D697-N701 PolarHBondContact O-N 3.41Å; D697-N701 PolarHBondContact O-ND2 2.94Å; N701-T705 VanDerWaalsContact O-CB 3.27Å; N701-T705 WeakPolarHBondContact O-CB 3.42Å; N701-T705 PolarHBondContact O-N 2.95Å; N701-T705 PolarHBondContact O-OG1 2.79Å
702L95.6Very high93.2Very high74 Ų7461.5 Ų61.539%0.38733%0.327SS..Hα-helixtrans-66-44.3177179.257.7000111.5Q698 S699 I700 L706 I757Q698-L702 WeakPolarHBondContact O-CB 3.47Å; Q698-L702 PolarHBondContact O-N 3.24Å; S699-L702 PolarHBondContact O-N 3.1Å; I700-L702 VanDerWaalsContact C-N 3.28Å; I700-L702 PolarHBondContact O-N 2.8Å; L702-L706 HydrophobicContact CD1-CD1 4.17Å; L702-L706 HydrophobicContact CD1-CG 4.29Å; L702-L706 HydrophobicContact CG-CD1 4.12Å; L702-L706 WeakPolarHBondContact O-CB 3.2Å; L702-L706 VanDerWaalsContact O-CG 3.25Å; L702-L706 WeakPolarHBondContact O-CG 3.36Å; L702-L706 PolarHBondContact O-N 2.93Å; L702-I757 HydrophobicContact CB-CD1 4.18Å; L702-I757 HydrophobicContact CD2-CD1 4.03Å; L702-I757 HydrophobicContact CD2-CG2 4.16Å; L702-I757 HydrophobicContact CG-CD1 4.04Å; L702-I757 HydrophobicContact CG-CG2 4.49Å
703L95.6Very high93.3Very high0 Ų058.2 Ų58.20%031%0.312CS..Hα-helixtrans-64.2-46.7176-179.258.4000111.1S699 I700 T705 L706 L707 W740 F741 Y753 R756 I757 I760S699-L703 PolarHBondContact O-N 2.96Å; I700-L703 PolarHBondContact O-N 2.98Å; L703-T705 VanDerWaalsContact C-N 3.34Å; L703-T705 PolarHBondContact O-N 2.86Å; L703-L706 WeakPolarHBondContact O-CB 3.12Å; L703-L706 PolarHBondContact O-N 3.23Å; L703-L706 VanDerWaalsContact O-N 3.13Å; L703-L707 HydrophobicContact CD1-CD1 4.4Å; L703-L707 HydrophobicContact CD1-CD2 4.47Å; L703-L707 HydrophobicContact CD1-CG 4.13Å; L703-L707 HydrophobicContact CG-CD1 4.13Å; L703-L707 HydrophobicContact CG-CG 4.32Å; L703-L707 WeakPolarHBondContact O-CG 3.41Å; L703-L707 PolarHBondContact O-N 3.48Å; L703-W740 HydrophobicContact CD2-CE3 4.41Å; L703-W740 HydrophobicContact CD2-CZ3 4Å; L703-F741 HydrophobicContact CD2-CD2 4.01Å; L703-F741 HydrophobicContact CG-CD2 4.37Å; L703-Y753 HydrophobicContact CB-CD1 4.21Å; L703-Y753 HydrophobicContact CD2-CD1 3.65Å; L703-Y753 HydrophobicContact CD2-CE1 4.28Å; L703-R756 HydrophobicContact CD1-CB 4.13Å; L703-R756 HydrophobicContact CD2-CB 4.21Å; L703-I757 HydrophobicContact CB-CD1 4.15Å; L703-I757 HydrophobicContact CB-CG1 3.89Å; L703-I757 HydrophobicContact CD1-CG1 4.08Å; L703-I760 HydrophobicContact CD1-CD1 3.73Å
704E94.3Very high93.2Very high84 Ų8455.9 Ų55.939%0.39330%0.304SS..Hα-helixtrans-57-48177.7-174.6177.8-172.600111.4I700 L706 L707 I708 F741I700-E704 PolarHBondContact O-N 2.78Å; E704-L706 VanDerWaalsContact C-N 3.32Å; E704-L706 PolarHBondContact O-N 2.9Å; E704-L707 PolarHBondContact O-N 2.9Å; E704-I708 HydrophobicContact CG-CD1 3.99Å; E704-I708 WeakPolarHBondContact O-CG1 3.45Å; E704-I708 PolarHBondContact O-N 3.14Å; E704-F741 HydrophobicContact CB-CE2 4.25Å; E704-F741 HydrophobicContact CB-CZ 3.86Å; E704-F741 HydrophobicContact CG-CE1 4.47Å; E704-F741 HydrophobicContact CG-CZ 4.19Å
705T95.4Very high92.9Very high72 Ų7257 Ų5744%0.44231%0.307SS..Hα-helixtrans-60.2-42.1176.2-60.40000111.6N701 L703 N709N701-T705 VanDerWaalsContact O-CB 3.27Å; N701-T705 WeakPolarHBondContact O-CB 3.42Å; N701-T705 PolarHBondContact O-N 2.95Å; N701-T705 PolarHBondContact O-OG1 2.79Å; L703-T705 VanDerWaalsContact C-N 3.34Å; L703-T705 PolarHBondContact O-N 2.86Å; T705-N709 VanDerWaalsContact CG2-ND2 3.26Å; T705-N709 WeakPolarHBondContact CG2-ND2 3.29Å; T705-N709 WeakPolarHBondContact O-CB 3.42Å; T705-N709 VanDerWaalsContact O-CG 3.25Å; T705-N709 PolarHBondContact O-N 2.94Å; T705-N709 PolarHBondContact O-ND2 2.86Å
706L94.9Very high92.7Very high23 Ų2359 Ų5912%0.1232%0.317CS..Hα-helixtrans-64.9-42.9177.1-78.4169.2000111.7L702 L703 E704 T710 I757 Q761 I764L702-L706 HydrophobicContact CD1-CD1 4.17Å; L702-L706 HydrophobicContact CD1-CG 4.29Å; L702-L706 HydrophobicContact CG-CD1 4.12Å; L702-L706 WeakPolarHBondContact O-CB 3.2Å; L702-L706 VanDerWaalsContact O-CG 3.25Å; L702-L706 WeakPolarHBondContact O-CG 3.36Å; L702-L706 PolarHBondContact O-N 2.93Å; L703-L706 WeakPolarHBondContact O-CB 3.12Å; L703-L706 PolarHBondContact O-N 3.23Å; L703-L706 VanDerWaalsContact O-N 3.13Å; E704-L706 VanDerWaalsContact C-N 3.32Å; E704-L706 PolarHBondContact O-N 2.9Å; L706-T710 WeakPolarHBondContact O-CB 3.39Å; L706-T710 PolarHBondContact O-N 3.24Å; L706-T710 PolarHBondContact O-OG1 3.1Å; L706-I757 HydrophobicContact CD1-CB 4.28Å; L706-I757 HydrophobicContact CD1-CG1 4.1Å; L706-I757 HydrophobicContact CD1-CG2 3.77Å; L706-Q761 HydrophobicContact CD1-CG 4.36Å; L706-I764 HydrophobicContact CD2-CD1 4.27Å
707L94.7Very high92.5Very high17 Ų1759.4 Ų59.49%0.08932%0.319CS..Hα-helixtrans-60.9-52.1178.3-70.4173.3000111L703 E704 N711 L734 A737 F741 I760L703-L707 HydrophobicContact CD1-CD1 4.4Å; L703-L707 HydrophobicContact CD1-CD2 4.47Å; L703-L707 HydrophobicContact CD1-CG 4.13Å; L703-L707 HydrophobicContact CG-CD1 4.13Å; L703-L707 HydrophobicContact CG-CG 4.32Å; L703-L707 WeakPolarHBondContact O-CG 3.41Å; L703-L707 PolarHBondContact O-N 3.48Å; E704-L707 PolarHBondContact O-N 2.9Å; L707-N711 VanDerWaalsContact O-CB 3.29Å; L707-N711 WeakPolarHBondContact O-CB 3.34Å; L707-N711 PolarHBondContact O-N 2.61Å; L707-N711 VanDerWaalsContact O-N 3.11Å; L707-L734 HydrophobicContact CD2-CD2 3.88Å; L707-A737 HydrophobicContact CD2-CB 3.83Å; L707-F741 HydrophobicContact CD1-CB 4.13Å; L707-F741 HydrophobicContact CD1-CG 4.26Å; L707-I760 HydrophobicContact CD2-CD1 3.96Å
708I92.2Very high92.4Very high94 Ų9458 Ų5848%0.48231%0.311SS..Hα-helixtrans-61.8-54.9-179.1-64.3169.2000110.5E704 T710 N711 D712E704-I708 HydrophobicContact CG-CD1 3.99Å; E704-I708 WeakPolarHBondContact O-CG1 3.45Å; E704-I708 PolarHBondContact O-N 3.14Å; I708-T710 PolarHBondContact O-N 2.84Å; I708-N711 PolarHBondContact O-N 2.95Å; I708-D712 PolarHBondContact O-N 2.78Å
709N93.5Very high92.2Very high87 Ų8760.3 Ų60.347%0.46531%0.313SS..Hα-helixtrans-65.2-40.7-175.7-71.2-19.9000112T705 D712 M713T705-N709 VanDerWaalsContact CG2-ND2 3.26Å; T705-N709 WeakPolarHBondContact CG2-ND2 3.29Å; T705-N709 WeakPolarHBondContact O-CB 3.42Å; T705-N709 VanDerWaalsContact O-CG 3.25Å; T705-N709 PolarHBondContact O-N 2.94Å; T705-N709 PolarHBondContact O-ND2 2.86Å; N709-D712 PolarHBondContact O-N 2.77Å; N709-M713 WeakPolarHBondContact O-CB 3.31Å; N709-M713 WeakPolarHBondContact O-CG 3.36Å; N709-M713 PolarHBondContact O-N 2.86Å
710T93.7Very high92Very high4 Ų465.4 Ų65.43%0.02533%0.334CS..Hα-helixtrans-69.1-38.6-177.1-52.50000110.9L706 I708 D712 M713 I714 Y718 L730 L734 I764L706-T710 WeakPolarHBondContact O-CB 3.39Å; L706-T710 PolarHBondContact O-N 3.24Å; L706-T710 PolarHBondContact O-OG1 3.1Å; I708-T710 PolarHBondContact O-N 2.84Å; T710-D712 VanDerWaalsContact C-N 3.35Å; T710-D712 PolarHBondContact O-N 3.41Å; T710-M713 PolarHBondContact O-N 2.86Å; T710-M713 VanDerWaalsContact O-N 3.16Å; T710-I714 WeakPolarHBondContact O-CG1 3.36Å; T710-I714 PolarHBondContact O-N 2.7Å; T710-Y718 HydrophobicContact CG2-CD2 4.46Å; T710-Y718 HydrophobicContact CG2-CE2 4.05Å; T710-L730 HydrophobicContact CG2-CD1 4.14Å; T710-L730 HydrophobicContact CG2-CD2 3.82Å; T710-L730 HydrophobicContact CG2-CG 4.2Å; T710-L734 HydrophobicContact CG2-CD1 3.63Å; T710-L734 HydrophobicContact CG2-CD2 4.08Å; T710-L734 HydrophobicContact CG2-CG 4.34Å; T710-I764 HydrophobicContact CG2-CG2 3.72Å
711N91.7Very high91.9Very high89 Ų8964.9 Ų64.948%0.47633%0.33SS..Hα-helixtrans-60.1-44.7176.5-165.944.8000111.7L707 I708 M713 I714L707-N711 VanDerWaalsContact O-CB 3.29Å; L707-N711 WeakPolarHBondContact O-CB 3.34Å; L707-N711 PolarHBondContact O-N 2.61Å; L707-N711 VanDerWaalsContact O-N 3.11Å; I708-N711 PolarHBondContact O-N 2.95Å; N711-M713 VanDerWaalsContact C-N 3.34Å; N711-M713 PolarHBondContact O-N 3.41Å; N711-I714 PolarHBondContact O-N 3.18Å
712D91.2Very high91.8Very high90 Ų9060.9 Ų60.948%0.48131%0.31SS..Hα-helixtrans-62.9-40.6174.3-76.5-4000111.9I708 N709 T710 S715 T716I708-D712 PolarHBondContact O-N 2.78Å; N709-D712 PolarHBondContact O-N 2.77Å; T710-D712 VanDerWaalsContact C-N 3.35Å; T710-D712 PolarHBondContact O-N 3.41Å; D712-S715 PolarHBondContact O-N 2.92Å; D712-S715 PolarHBondContact O-OG 3.02Å; D712-T716 PolarHBondContact O-N 3.42Å; D712-T716 PolarHBondContact O-OG1 3Å
713M92.2Very high91.6Very high67 Ų6758.6 Ų58.633%0.3330%0.301SS..Hα-helixtrans-68.6-33.3-179.3-68.2-67140.900113.1N709 T710 N711 S715 T716 D717 Y718N709-M713 WeakPolarHBondContact O-CB 3.31Å; N709-M713 WeakPolarHBondContact O-CG 3.36Å; N709-M713 PolarHBondContact O-N 2.86Å; T710-M713 PolarHBondContact O-N 2.86Å; T710-M713 VanDerWaalsContact O-N 3.16Å; N711-M713 VanDerWaalsContact C-N 3.34Å; N711-M713 PolarHBondContact O-N 3.41Å; M713-S715 VanDerWaalsContact C-N 3.27Å; M713-S715 PolarHBondContact O-N 3.18Å; M713-T716 WeakPolarHBondContact CA-OG1 3.35Å; M713-T716 CarbonylContact O-C 3.56Å; M713-T716 PolarHBondContact O-N 2.97Å; M713-T716 VanDerWaalsContact O-N 3.15Å; M713-D717 PolarHBondContact O-N 2.82Å; M713-D717 HydrophobicContact SD-CB 4.05Å; M713-Y718 HydrophobicContact CB-CD1 4.11Å; M713-Y718 HydrophobicContact CB-CD2 3.54Å; M713-Y718 HydrophobicContact CB-CE1 4.09Å; M713-Y718 HydrophobicContact CB-CE2 3.53Å; M713-Y718 HydrophobicContact CB-CG 3.83Å; M713-Y718 HydrophobicContact CG-CE1 4.49Å; M713-Y718 HydrophobicContact CG-CE2 4.33Å; M713-Y718 WeakPolarHBondContact O-CB 3.42Å; M713-Y718 PolarHBondContact O-N 3.46Å
714I89.3Confident91.4Very high27 Ų2766.8 Ų66.814%0.13834%0.339CS..Hα-helixtrans-57.4-41.4175-72.9171.8000111.2T710 N711 T716 R719 L730 D731 L734T710-I714 WeakPolarHBondContact O-CG1 3.36Å; T710-I714 PolarHBondContact O-N 2.7Å; N711-I714 PolarHBondContact O-N 3.18Å; I714-T716 VanDerWaalsContact C-N 3.33Å; I714-R719 WeakPolarHBondContact O-CB 3.25Å; I714-R719 PolarHBondContact O-N 2.81Å; I714-L730 HydrophobicContact CD1-CD2 3.91Å; I714-L730 HydrophobicContact CD1-CG 3.92Å; I714-L730 HydrophobicContact CG1-CD2 3.88Å; I714-L730 HydrophobicContact CG1-CG 4.45Å; I714-D731 HydrophobicContact CD1-CB 4.33Å; I714-L734 HydrophobicContact CD1-CD1 3.37Å
715S83.9Confident91.4Very high80 Ų8070.6 Ų70.656%0.55936%0.357SS*.Hα-helixtrans-77.8-17.9-179.6740000113.9D712 M713D712-S715 PolarHBondContact O-N 2.92Å; D712-S715 PolarHBondContact O-OG 3.02Å; M713-S715 VanDerWaalsContact C-N 3.27Å; M713-S715 PolarHBondContact O-N 3.18Å
716T88.4Confident91.3Very high71 Ų7169.9 Ų69.944%0.43635%0.348SS..THydrogen-bonded Turntrans-116.8-94.4-171.555.40000112.6D712 M713 I714D712-T716 PolarHBondContact O-N 3.42Å; D712-T716 PolarHBondContact O-OG1 3Å; M713-T716 WeakPolarHBondContact CA-OG1 3.35Å; M713-T716 CarbonylContact O-C 3.56Å; M713-T716 PolarHBondContact O-N 2.97Å; M713-T716 VanDerWaalsContact O-N 3.15Å; I714-T716 VanDerWaalsContact C-N 3.33Å
717D86.9Confident91.2Very high46 Ų4669.9 Ų69.925%0.24635%0.348CS..THydrogen-bonded Turntrans-72.8-43.5-171.6-98.39.8000111.9M713 R719 K720 Y721 K775M713-D717 PolarHBondContact O-N 2.82Å; M713-D717 HydrophobicContact SD-CB 4.05Å; D717-R719 VanDerWaalsContact C-N 3.27Å; D717-R719 PolarHBondContact O-N 3.27Å; D717-K720 WeakPolarHBondContact O-CB 3.35Å; D717-K720 PolarHBondContact O-N 3.47Å; D717-K720 VanDerWaalsContact O-N 3.09Å; D717-K720 IonicContact OD1-NZ 2.86Å; D717-Y721 WeakPolarHBondContact O-CD2 3.42Å; D717-Y721 VanDerWaalsContact O-CE2 3.27Å; D717-Y721 WeakPolarHBondContact O-CE2 3.37Å; D717-K775 IonicContact OD2-NZ 3.76Å; D717-K775 PolarHBondContact OD2-NZ 3.14Å; D717-K775 VanDerWaalsContact OD2-NZ 3.17Å
718Y90.8Very high91.2Very high22 Ų2275.7 Ų75.79%0.08637%0.373CS..G310 helixtrans-68.8-27.1-177.5-64.4-10.2000112.6T710 M713 K720 Y721 G722 L730 I764 I767 Q768T710-Y718 HydrophobicContact CG2-CD2 4.46Å; T710-Y718 HydrophobicContact CG2-CE2 4.05Å; M713-Y718 HydrophobicContact CB-CD1 4.11Å; M713-Y718 HydrophobicContact CB-CD2 3.54Å; M713-Y718 HydrophobicContact CB-CE1 4.09Å; M713-Y718 HydrophobicContact CB-CE2 3.53Å; M713-Y718 HydrophobicContact CB-CG 3.83Å; M713-Y718 HydrophobicContact CG-CE1 4.49Å; M713-Y718 HydrophobicContact CG-CE2 4.33Å; M713-Y718 WeakPolarHBondContact O-CB 3.42Å; M713-Y718 PolarHBondContact O-N 3.46Å; Y718-K720 PolarHBondContact O-N 3.4Å; Y718-Y721 PolarHBondContact O-N 2.96Å; Y718-G722 PolarHBondContact O-N 3.25Å; Y718-L730 HydrophobicContact CD2-CD2 4.3Å; Y718-I764 HydrophobicContact CE2-CB 4.32Å; Y718-I764 HydrophobicContact CE2-CG2 4.07Å; Y718-I767 HydrophobicContact CD1-CG2 3.59Å; Y718-I767 HydrophobicContact CE1-CG2 4.31Å; Y718-I767 HydrophobicContact CG-CG2 3.74Å; Y718-Q768 HydrophobicContact CE1-CG 3.99Å; Y718-Q768 WeakPolarHBondContact OH-CG 3.34Å; Y718-Q768 PolarHBondContact OH-NE2 2.61Å
719R89.9Confident91.3Very high187 Ų18775.7 Ų75.771%0.70637%0.371SS*.G310 helixtrans-53.7-28.8170.9-163.3175178.2-162.5-0.5113.4I714 D717I714-R719 WeakPolarHBondContact O-CB 3.25Å; I714-R719 PolarHBondContact O-N 2.81Å; D717-R719 VanDerWaalsContact C-N 3.27Å; D717-R719 PolarHBondContact O-N 3.27Å
720K89.7Confident91.4Very high116 Ų11671.6 Ų71.650%0.50435%0.349SS..G310 helixtrans-83.4-22.2-179.7-59.8172-172.9160.30113D717 Y718 T870D717-K720 WeakPolarHBondContact O-CB 3.35Å; D717-K720 PolarHBondContact O-N 3.47Å; D717-K720 VanDerWaalsContact O-N 3.09Å; D717-K720 IonicContact OD1-NZ 2.86Å; Y718-K720 PolarHBondContact O-N 3.4Å; K720-T870 WeakPolarHBondContact O-CB 3.34Å; K720-T870 PolarHBondContact O-OG1 3.49Å
721Y92.4Very high91.5Very high22 Ų2273.7 Ų73.79%0.08636%0.36CS..THydrogen-bonded Turntrans-127.6-7-166.9-46.3-67.5000114.7D717 Y718 R770 S771 I774 T870 Y871D717-Y721 WeakPolarHBondContact O-CD2 3.42Å; D717-Y721 VanDerWaalsContact O-CE2 3.27Å; D717-Y721 WeakPolarHBondContact O-CE2 3.37Å; Y718-Y721 PolarHBondContact O-N 2.96Å; Y721-R770 WeakPolarHBondContact O-CD 3.44Å; Y721-R770 PolarHBondContact O-NH1 3.5Å; Y721-S771 WeakPolarHBondContact CD2-OG 3.29Å; Y721-S771 WeakPolarHBondContact CE2-OG 3.45Å; Y721-I774 HydrophobicContact CD1-CD1 3.56Å; Y721-I774 HydrophobicContact CE1-CB 4.17Å; Y721-I774 HydrophobicContact CE1-CD1 3.68Å; Y721-I774 HydrophobicContact CE1-CG2 4.18Å; Y721-T870 WeakPolarHBondContact CA-O 3.27Å; Y721-Y871 WeakPolarHBondContact O-CA 3.35Å
722G91.6Very high91.6Very high6 Ų673 Ų736%0.06236%0.356CS..SBendtrans-103.7143.6171.700000110.7Y718Y718-G722 PolarHBondContact O-N 3.25Å
723S92.1Very high91.9Very high27 Ų2769.3 Ų69.319%0.18934%0.337CS..  trans-68.4158.5169.262.10000110.4E725 E726 L727S723-E725 PolarHBondContact O-N 2.79Å; S723-E726 WeakPolarHBondContact CB-OE2 3.48Å; S723-E726 PolarHBondContact N-OE2 3Å; S723-E726 PolarHBondContact O-N 3.28Å; S723-E726 WeakPolarHBondContact OG-CB 3.26Å; S723-E726 VanDerWaalsContact OG-CD 3.23Å; S723-E726 WeakPolarHBondContact OG-CG 3.41Å; S723-E726 PolarHBondContact OG-N 2.81Å; S723-E726 PolarHBondContact OG-OE2 3.08Å; S723-L727 WeakPolarHBondContact O-CB 3.38Å; S723-L727 WeakPolarHBondContact O-CG 3.4Å; S723-L727 PolarHBondContact O-N 3.08Å
724E91.2Very high92Very high171 Ų17166.4 Ų66.480%0.79932%0.323SS*.Hα-helixtrans-58-35.8178-169.6175.4175.700111.8K728E724-K728 WeakPolarHBondContact O-CB 3.21Å; E724-K728 PolarHBondContact O-N 3.16Å
725E92.8Very high92.3Very high165 Ų16570.3 Ų70.377%0.77134%0.34SS*.Hα-helixtrans-67.9-46.6175.9-64.5-179.2177.500112.4S723 K728 H729S723-E725 PolarHBondContact O-N 2.79Å; E725-K728 PolarHBondContact O-N 2.97Å; E725-H729 WeakPolarHBondContact O-CB 3.26Å; E725-H729 PolarHBondContact O-N 3.34Å
726E93.8Very high92.8Very high57 Ų5771.2 Ų71.227%0.26634%0.343SS..Hα-helixtrans-62.5-44.8176.8-74.9165.1143.900111.4S723 H729 L730 R770S723-E726 WeakPolarHBondContact CB-OE2 3.48Å; S723-E726 PolarHBondContact N-OE2 3Å; S723-E726 PolarHBondContact O-N 3.28Å; S723-E726 WeakPolarHBondContact OG-CB 3.26Å; S723-E726 VanDerWaalsContact OG-CD 3.23Å; S723-E726 WeakPolarHBondContact OG-CG 3.41Å; S723-E726 PolarHBondContact OG-N 2.81Å; S723-E726 PolarHBondContact OG-OE2 3.08Å; E726-H729 PolarHBondContact O-N 3.34Å; E726-L730 WeakPolarHBondContact O-CB 3.32Å; E726-L730 PolarHBondContact O-N 3.15Å; E726-R770 VanDerWaalsContact CD-NH1 3.31Å; E726-R770 IonicContact OE1-CZ 2.87Å; E726-R770 IonicContact OE1-NH1 2.63Å; E726-R770 PolarHBondContact OE1-NH1 2.99Å; E726-R770 IonicContact OE1-NH2 3.3Å; E726-R770 PolarHBondContact OE1-NH2 3.13Å; E726-R770 IonicContact OE2-CZ 2.85Å; E726-R770 IonicContact OE2-NH1 2.91Å; E726-R770 PolarHBondContact OE2-NH1 3.41Å; E726-R770 IonicContact OE2-NH2 3.4Å
727L93.8Very high93.1Very high22 Ų2268 Ų6812%0.11532%0.323CS..Hα-helixtrans-67.4-39.4-179.6-67.5174.3000111.7S723 L730 D731 I767S723-L727 WeakPolarHBondContact O-CB 3.38Å; S723-L727 WeakPolarHBondContact O-CG 3.4Å; S723-L727 PolarHBondContact O-N 3.08Å; L727-L730 PolarHBondContact O-N 2.84Å; L727-D731 VanDerWaalsContact O-CB 3.28Å; L727-D731 WeakPolarHBondContact O-CB 3.25Å; L727-D731 PolarHBondContact O-N 3.21Å; L727-I767 HydrophobicContact CD2-CD1 4.04Å
728K93.9Very high93.5Very high139 Ų13968 Ų6860%0.60433%0.327SS*.Hα-helixtrans-66.6-38.6174.4-173.6177.4-177.9178.90111.8E724 E725 N732E724-K728 WeakPolarHBondContact O-CB 3.21Å; E724-K728 PolarHBondContact O-N 3.16Å; E725-K728 PolarHBondContact O-N 2.97Å; K728-N732 PolarHBondContact O-N 2.85Å; K728-N732 PolarHBondContact O-ND2 3.45Å; K728-N732 VanDerWaalsContact O-ND2 3.17Å
729H95.4Very high93.6Very high95 Ų9569.5 Ų69.544%0.4434%0.34SS..Hα-helixtrans-65.6-45.5175.3-177.739.2000111.5E725 E726 N732 V733E725-H729 WeakPolarHBondContact O-CB 3.26Å; E725-H729 PolarHBondContact O-N 3.34Å; E726-H729 PolarHBondContact O-N 3.34Å; H729-N732 PolarHBondContact O-N 2.91Å; H729-V733 WeakPolarHBondContact O-CG2 3.27Å; H729-V733 PolarHBondContact O-N 3.18Å
730L95.3Very high93.8Very high1 Ų161.6 Ų61.61%0.00531%0.311CS..Hα-helixtrans-59.8-46.6175.4179.763.5000111.4T710 I714 Y718 E726 L727 N732 V733 L734 I760 L763 I764 I767T710-L730 HydrophobicContact CG2-CD1 4.14Å; T710-L730 HydrophobicContact CG2-CD2 3.82Å; T710-L730 HydrophobicContact CG2-CG 4.2Å; I714-L730 HydrophobicContact CD1-CD2 3.91Å; I714-L730 HydrophobicContact CD1-CG 3.92Å; I714-L730 HydrophobicContact CG1-CD2 3.88Å; I714-L730 HydrophobicContact CG1-CG 4.45Å; Y718-L730 HydrophobicContact CD2-CD2 4.3Å; E726-L730 WeakPolarHBondContact O-CB 3.32Å; E726-L730 PolarHBondContact O-N 3.15Å; L727-L730 PolarHBondContact O-N 2.84Å; L730-N732 PolarHBondContact O-N 3.08Å; L730-V733 PolarHBondContact O-N 2.85Å; L730-L734 HydrophobicContact CD1-CG 4.3Å; L730-L734 HydrophobicContact CG-CD1 4.24Å; L730-L734 HydrophobicContact CG-CG 4.41Å; L730-L734 VanDerWaalsContact O-CG 3.3Å; L730-L734 WeakPolarHBondContact O-CG 3.45Å; L730-L734 PolarHBondContact O-N 3.35Å; L730-I760 HydrophobicContact CD1-CG2 4.43Å; L730-L763 HydrophobicContact CB-CD1 4.44Å; L730-L763 HydrophobicContact CD1-CB 3.78Å; L730-L763 HydrophobicContact CD1-CD1 4.12Å; L730-I764 HydrophobicContact CD1-CG2 3.91Å; L730-I764 HydrophobicContact CD2-CG2 4.03Å; L730-I767 HydrophobicContact CD2-CD1 4.31Å
731D94.4Very high94Very high47 Ų4757.7 Ų57.725%0.25129%0.294SS..Hα-helixtrans-57.8-44.9176.2-17848.5000111.8I714 L727 V733 L734 Q735I714-D731 HydrophobicContact CD1-CB 4.33Å; L727-D731 VanDerWaalsContact O-CB 3.28Å; L727-D731 WeakPolarHBondContact O-CB 3.25Å; L727-D731 PolarHBondContact O-N 3.21Å; D731-V733 PolarHBondContact O-N 3.26Å; D731-L734 PolarHBondContact O-N 3.32Å; D731-Q735 WeakPolarHBondContact O-CB 3.3Å; D731-Q735 VanDerWaalsContact O-CG 3.29Å; D731-Q735 WeakPolarHBondContact O-CG 3.31Å; D731-Q735 PolarHBondContact O-N 3.38Å; D731-Q735 PolarHBondContact OD1-NE2 2.83Å; D731-Q735 PolarHBondContact OD2-NE2 2.98Å
732N95.3Very high94Very high76 Ų7661.7 Ų61.741%0.40632%0.316SS..Hα-helixtrans-61.6-41.6175.5-69.8-28000112.8K728 H729 L730 T736K728-N732 PolarHBondContact O-N 2.85Å; K728-N732 PolarHBondContact O-ND2 3.45Å; K728-N732 VanDerWaalsContact O-ND2 3.17Å; H729-N732 PolarHBondContact O-N 2.91Å; L730-N732 PolarHBondContact O-N 3.08Å; N732-T736 WeakPolarHBondContact O-CB 3.26Å; N732-T736 PolarHBondContact O-N 3.03Å; N732-T736 PolarHBondContact O-OG1 2.88Å
733V96Very high93.9Very high11 Ų1168.1 Ų68.17%0.06735%0.345CS..Hα-helixtrans-66.9-42.3177.5169.90000110.5H729 L730 D731 T736 A737 E759 I760 L763H729-V733 WeakPolarHBondContact O-CG2 3.27Å; H729-V733 PolarHBondContact O-N 3.18Å; L730-V733 PolarHBondContact O-N 2.85Å; D731-V733 PolarHBondContact O-N 3.26Å; V733-T736 PolarHBondContact O-N 3Å; V733-A737 VanDerWaalsContact O-CB 3.29Å; V733-A737 WeakPolarHBondContact O-CB 3.5Å; V733-A737 PolarHBondContact O-N 2.95Å; V733-E759 HydrophobicContact CG1-CG 3.97Å; V733-I760 HydrophobicContact CG1-CG1 3.98Å; V733-L763 HydrophobicContact CB-CD1 4.12Å; V733-L763 HydrophobicContact CG1-CD1 4.39Å; V733-L763 HydrophobicContact CG2-CD1 3.84Å
734L95.4Very high93.6Very high7 Ų772.2 Ų72.24%0.03736%0.361CS..Hα-helixtrans-62.9-44.3175.6-70.3177.7000112L707 T710 I714 L730 D731 T736 A737 S738 I760L707-L734 HydrophobicContact CD2-CD2 3.88Å; T710-L734 HydrophobicContact CG2-CD1 3.63Å; T710-L734 HydrophobicContact CG2-CD2 4.08Å; T710-L734 HydrophobicContact CG2-CG 4.34Å; I714-L734 HydrophobicContact CD1-CD1 3.37Å; L730-L734 HydrophobicContact CD1-CG 4.3Å; L730-L734 HydrophobicContact CG-CD1 4.24Å; L730-L734 HydrophobicContact CG-CG 4.41Å; L730-L734 VanDerWaalsContact O-CG 3.3Å; L730-L734 WeakPolarHBondContact O-CG 3.45Å; L730-L734 PolarHBondContact O-N 3.35Å; D731-L734 PolarHBondContact O-N 3.32Å; L734-T736 VanDerWaalsContact C-N 3.33Å; L734-T736 PolarHBondContact O-N 3.3Å; L734-A737 PolarHBondContact O-N 2.71Å; L734-S738 VanDerWaalsContact O-CB 3.26Å; L734-S738 WeakPolarHBondContact O-CB 3.32Å; L734-S738 PolarHBondContact O-N 2.99Å; L734-I760 HydrophobicContact CD2-CD1 3.88Å; L734-I760 HydrophobicContact CD2-CG1 4.03Å; L734-I760 HydrophobicContact CD2-CG2 3.97Å
735Q94.5Very high93Very high108 Ų10864.2 Ų64.251%0.50532%0.324SS..Hα-helixtrans-61.8-42.2176.8-73.117319.100111.5D731 S738 S739D731-Q735 WeakPolarHBondContact O-CB 3.3Å; D731-Q735 VanDerWaalsContact O-CG 3.29Å; D731-Q735 WeakPolarHBondContact O-CG 3.31Å; D731-Q735 PolarHBondContact O-N 3.38Å; D731-Q735 PolarHBondContact OD1-NE2 2.83Å; D731-Q735 PolarHBondContact OD2-NE2 2.98Å; Q735-S738 PolarHBondContact O-N 3.39Å; Q735-S739 WeakPolarHBondContact O-CB 3.44Å; Q735-S739 PolarHBondContact O-N 3.38Å
736T95.1Very high92.2Very high100 Ų10064.2 Ų64.261%0.61332%0.324SS*.Hα-helixtrans-64.3-44.3176.2-56.10000111.4N732 V733 L734 W740N732-T736 WeakPolarHBondContact O-CB 3.26Å; N732-T736 PolarHBondContact O-N 3.03Å; N732-T736 PolarHBondContact O-OG1 2.88Å; V733-T736 PolarHBondContact O-N 3Å; L734-T736 VanDerWaalsContact C-N 3.33Å; L734-T736 PolarHBondContact O-N 3.3Å; T736-W740 WeakPolarHBondContact O-CB 3.2Å; T736-W740 PolarHBondContact O-N 3.47Å
737A94.9Very high91.5Very high4 Ų469 Ų693%0.03335%0.351CS..Hα-helixtrans-68.6-37.3178.600000112.3L707 V733 L734 W740 F741 I760L707-A737 HydrophobicContact CD2-CB 3.83Å; V733-A737 VanDerWaalsContact O-CB 3.29Å; V733-A737 WeakPolarHBondContact O-CB 3.5Å; V733-A737 PolarHBondContact O-N 2.95Å; L734-A737 PolarHBondContact O-N 2.71Å; A737-W740 PolarHBondContact O-N 2.94Å; A737-F741 VanDerWaalsContact O-CB 3.31Å; A737-F741 WeakPolarHBondContact O-CB 3.13Å; A737-F741 PolarHBondContact O-N 3.15Å; A737-I760 HydrophobicContact CB-CD1 4.1Å
738S94.6Very high90.9Very high46 Ų4668.4 Ų68.432%0.32235%0.351SS..Hα-helixtrans-66.2-48.4175.3-168.30000111.4L734 Q735 W740 F741 D742L734-S738 VanDerWaalsContact O-CB 3.26Å; L734-S738 WeakPolarHBondContact O-CB 3.32Å; L734-S738 PolarHBondContact O-N 2.99Å; Q735-S738 PolarHBondContact O-N 3.39Å; S738-W740 VanDerWaalsContact C-N 3.29Å; S738-W740 PolarHBondContact O-N 2.85Å; S738-F741 WeakPolarHBondContact O-CB 3.15Å; S738-F741 PolarHBondContact O-N 3.08Å; S738-F741 VanDerWaalsContact O-N 3.1Å; S738-D742 PolarHBondContact O-N 3.4Å
739S94.4Very high90.7Very high52 Ų5267.7 Ų67.736%0.36435%0.353SS..Hα-helixtrans-59.4-42.1175.61670000111.2Q735 D742 E743Q735-S739 WeakPolarHBondContact O-CB 3.44Å; Q735-S739 PolarHBondContact O-N 3.38Å; S739-D742 PolarHBondContact O-N 2.88Å; S739-E743 VanDerWaalsContact O-CB 3.31Å; S739-E743 WeakPolarHBondContact O-CB 3.42Å; S739-E743 WeakPolarHBondContact O-CG 3.34Å; S739-E743 PolarHBondContact O-N 3.47Å; S739-E743 PolarHBondContact OG-OE1 3.5Å
740W94.2Very high90.5Very high22 Ų2267 Ų678%0.08335%0.349CS..Hα-helixtrans-62.8-43.6173.4177.481.8000112.6L703 T736 A737 S738 D742 E743 Q744 G745 D752 Y753 R756L703-W740 HydrophobicContact CD2-CE3 4.41Å; L703-W740 HydrophobicContact CD2-CZ3 4Å; T736-W740 WeakPolarHBondContact O-CB 3.2Å; T736-W740 PolarHBondContact O-N 3.47Å; A737-W740 PolarHBondContact O-N 2.94Å; S738-W740 VanDerWaalsContact C-N 3.29Å; S738-W740 PolarHBondContact O-N 2.85Å; W740-D742 VanDerWaalsContact C-N 3.31Å; W740-D742 PolarHBondContact O-N 3.14Å; W740-E743 PolarHBondContact O-N 3.13Å; W740-Q744 HydrophobicContact CG-CB 4.38Å; W740-Q744 CarbonylContact O-C 3.56Å; W740-Q744 WeakPolarHBondContact O-CA 3.34Å; W740-Q744 PolarHBondContact O-N 3.15Å; W740-G745 PolarHBondContact O-N 3.2Å; W740-D752 HydrophobicContact CH2-CB 3.84Å; W740-D752 HydrophobicContact CZ2-CB 3.63Å; W740-Y753 HydrophobicContact CH2-CD1 4.05Å; W740-Y753 HydrophobicContact CH2-CD2 4.23Å; W740-Y753 AromaticContact CH2-CE1 3.86Å; W740-Y753 HydrophobicContact CH2-CE1 3.86Å; W740-Y753 HydrophobicContact CH2-CE2 4.07Å; W740-Y753 HydrophobicContact CH2-CG 4.22Å; W740-Y753 AromaticContact CH2-CZ 3.89Å; W740-Y753 AromaticContact CZ3-CD1 3.84Å; W740-Y753 HydrophobicContact CZ3-CD1 3.84Å; W740-Y753 AromaticContact CZ3-CE1 3.68Å; W740-Y753 HydrophobicContact CZ3-CE1 3.68Å; W740-Y753 HydrophobicContact CZ3-CG 4.4Å; W740-R756 VanDerWaalsContact CE3-NE 3.28Å; W740-R756 VanDerWaalsContact CG-CZ 3.43Å; W740-R756 VanDerWaalsContact CG-NE 3.33Å; W740-R756 VanDerWaalsContact NE1-NH2 3.17Å
741F93.3Very high90.4Very high34 Ų3471.7 Ų71.715%0.14937%0.374CS..Hα-helixtrans-60.1-42.8-180-173.8-91.6000111.4I700 L703 E704 L707 A737 S738 G745 Y753I700-F741 HydrophobicContact CG2-CE2 4.03Å; I700-F741 HydrophobicContact CG2-CZ 4.13Å; L703-F741 HydrophobicContact CD2-CD2 4.01Å; L703-F741 HydrophobicContact CG-CD2 4.37Å; E704-F741 HydrophobicContact CB-CE2 4.25Å; E704-F741 HydrophobicContact CB-CZ 3.86Å; E704-F741 HydrophobicContact CG-CE1 4.47Å; E704-F741 HydrophobicContact CG-CZ 4.19Å; L707-F741 HydrophobicContact CD1-CB 4.13Å; L707-F741 HydrophobicContact CD1-CG 4.26Å; A737-F741 VanDerWaalsContact O-CB 3.31Å; A737-F741 WeakPolarHBondContact O-CB 3.13Å; A737-F741 PolarHBondContact O-N 3.15Å; S738-F741 WeakPolarHBondContact O-CB 3.15Å; S738-F741 PolarHBondContact O-N 3.08Å; S738-F741 VanDerWaalsContact O-N 3.1Å; F741-G745 VanDerWaalsContact O-CA 3.3Å; F741-G745 WeakPolarHBondContact O-CA 3.36Å; F741-G745 PolarHBondContact O-N 2.96Å; F741-Y753 HydrophobicContact CD2-CE1 4.02Å; F741-Y753 HydrophobicContact CE2-CE1 4Å
742D91.3Very high90.4Very high105 Ų10571.9 Ų71.956%0.56138%0.375SS*.Hα-helixtrans-74.5-39.3-179.1-64.7-28.2000112.9S738 S739 W740S738-D742 PolarHBondContact O-N 3.4Å; S739-D742 PolarHBondContact O-N 2.88Å; W740-D742 VanDerWaalsContact C-N 3.31Å; W740-D742 PolarHBondContact O-N 3.14Å
743E90.3Very high90.4Very high141 Ų14168.6 Ų68.666%0.65936%0.357SS*.Hα-helixtrans-90-37-173.8-67.4178.1-163.900113.8S739 W740S739-E743 VanDerWaalsContact O-CB 3.31Å; S739-E743 WeakPolarHBondContact O-CB 3.42Å; S739-E743 WeakPolarHBondContact O-CG 3.34Å; S739-E743 PolarHBondContact O-N 3.47Å; S739-E743 PolarHBondContact OG-OE1 3.5Å; W740-E743 PolarHBondContact O-N 3.13Å
744Q86.3Confident90.4Very high114 Ų11469.5 Ų69.553%0.53336%0.361SS..Hα-helixtrans-128.3-9.8-168.6-61.917719.800113W740 H746 D747W740-Q744 HydrophobicContact CG-CB 4.38Å; W740-Q744 CarbonylContact O-C 3.56Å; W740-Q744 WeakPolarHBondContact O-CA 3.34Å; W740-Q744 PolarHBondContact O-N 3.15Å; Q744-H746 VanDerWaalsContact C-N 3.28Å; Q744-H746 PolarHBondContact O-N 2.91Å; Q744-D747 PolarHBondContact O-N 3.36Å
745G77.5Confident90.4Very high2 Ų273.2 Ų73.22%0.02138%0.38CS..G310 helixtrans-58.6-40.1-175.800000111.9W740 F741 D747 G748 Y753W740-G745 PolarHBondContact O-N 3.2Å; F741-G745 VanDerWaalsContact O-CA 3.3Å; F741-G745 WeakPolarHBondContact O-CA 3.36Å; F741-G745 PolarHBondContact O-N 2.96Å; G745-D747 PolarHBondContact O-N 2.84Å; G745-G748 PolarHBondContact O-N 3.14Å; G745-Y753 PolarHBondContact O-OH 3.06Å
746H77Confident90.5Very high166 Ų16670.6 Ų70.677%0.76937%0.366SS*.G310 helixtrans-54.4-26.8-174.2-64.2-54.9000115.8Q744Q744-H746 VanDerWaalsContact C-N 3.28Å; Q744-H746 PolarHBondContact O-N 2.91Å
747D79.1Confident90.5Very high156 Ų15666.2 Ų66.283%0.83434%0.338SS*.G310 helixtrans-110.47.6179.5-62.8-39.6000113.3Q744 G745Q744-D747 PolarHBondContact O-N 3.36Å; G745-D747 PolarHBondContact O-N 2.84Å
748G80.1Confident90.6Very high11 Ų1172.5 Ų72.511%0.11337%0.365CS..  trans-66.5142.6-175.300000113.5G745G745-G748 PolarHBondContact O-N 3.14Å
749L90.1Very high90.7Very high124 Ų12474.7 Ų74.765%0.64937%0.37SS*.  trans-79.9156.1169.6-61.7176.3000109.8N751 D752 Y753L749-N751 PolarHBondContact O-N 3.43Å; L749-D752 WeakPolarHBondContact CB-OD2 3.38Å; L749-D752 PolarHBondContact N-OD2 3.22Å; L749-D752 WeakPolarHBondContact O-CB 3.47Å; L749-D752 PolarHBondContact O-N 2.95Å; L749-Y753 VanDerWaalsContact O-CD2 3.31Å; L749-Y753 WeakPolarHBondContact O-CD2 3.37Å
750K91.6Very high90.8Very high81 Ų8172.3 Ų72.335%0.35235%0.353SS..Hα-helixtrans-50-40.6179-176.4-176.1-179.1-640112.6A695 L696 D752 Y753 D754A695-K750 HydrophobicContact CB-CD 4.01Å; L696-K750 HydrophobicContact CD1-CB 4.11Å; K750-D752 VanDerWaalsContact C-N 3.28Å; K750-D752 PolarHBondContact O-N 2.89Å; K750-Y753 PolarHBondContact O-N 3.13Å; K750-D754 IonicContact NZ-OD1 3.89Å; K750-D754 PolarHBondContact NZ-OD1 3.06Å; K750-D754 IonicContact NZ-OD2 3.85Å; K750-D754 PolarHBondContact NZ-OD2 3.31Å; K750-D754 VanDerWaalsContact O-CG 3.31Å; K750-D754 PolarHBondContact O-N 2.97Å
751N94Very high90.9Very high98 Ų9874.5 Ų74.552%0.52437%0.365SS..Hα-helixtrans-63-32.2179.6-170.158.3000113L749 Y753 D754 I755L749-N751 PolarHBondContact O-N 3.43Å; N751-Y753 VanDerWaalsContact C-N 3.34Å; N751-D754 PolarHBondContact O-N 2.81Å; N751-I755 VanDerWaalsContact O-CG1 3.24Å; N751-I755 WeakPolarHBondContact O-CG1 3.24Å; N751-I755 PolarHBondContact O-N 3.46Å
752D93.9Very high91.1Very high52 Ų5276.2 Ų76.228%0.27838%0.38SS..Hα-helixtrans-67.7-37.5178.8-58.4-41.5000111.6W740 L749 K750 R756W740-D752 HydrophobicContact CH2-CB 3.84Å; W740-D752 HydrophobicContact CZ2-CB 3.63Å; L749-D752 WeakPolarHBondContact CB-OD2 3.38Å; L749-D752 PolarHBondContact N-OD2 3.22Å; L749-D752 WeakPolarHBondContact O-CB 3.47Å; L749-D752 PolarHBondContact O-N 2.95Å; K750-D752 VanDerWaalsContact C-N 3.28Å; K750-D752 PolarHBondContact O-N 2.89Å; D752-R756 PolarHBondContact O-NH1 3.1Å
753Y95.3Very high91.3Very high6 Ų673 Ų732%0.02436%0.363CS..Hα-helixtrans-67.6-49.2171.3-66.8-83.7000111.2L696 I700 L703 W740 F741 G745 L749 K750 N751 I755 R756 I757L696-Y753 HydrophobicContact CD1-CD2 3.77Å; L696-Y753 HydrophobicContact CD1-CE2 3.68Å; I700-Y753 HydrophobicContact CB-CE1 4.27Å; I700-Y753 HydrophobicContact CD1-CE2 4.32Å; I700-Y753 HydrophobicContact CG1-CD1 4.17Å; I700-Y753 HydrophobicContact CG1-CD2 4.28Å; I700-Y753 HydrophobicContact CG1-CE1 3.65Å; I700-Y753 HydrophobicContact CG1-CE2 3.76Å; I700-Y753 HydrophobicContact CG1-CG 4.47Å; I700-Y753 WeakPolarHBondContact CG1-OH 3.39Å; L703-Y753 HydrophobicContact CB-CD1 4.21Å; L703-Y753 HydrophobicContact CD2-CD1 3.65Å; L703-Y753 HydrophobicContact CD2-CE1 4.28Å; W740-Y753 HydrophobicContact CH2-CD1 4.05Å; W740-Y753 HydrophobicContact CH2-CD2 4.23Å; W740-Y753 AromaticContact CH2-CE1 3.86Å; W740-Y753 HydrophobicContact CH2-CE1 3.86Å; W740-Y753 HydrophobicContact CH2-CE2 4.07Å; W740-Y753 HydrophobicContact CH2-CG 4.22Å; W740-Y753 AromaticContact CH2-CZ 3.89Å; W740-Y753 AromaticContact CZ3-CD1 3.84Å; W740-Y753 HydrophobicContact CZ3-CD1 3.84Å; W740-Y753 AromaticContact CZ3-CE1 3.68Å; W740-Y753 HydrophobicContact CZ3-CE1 3.68Å; W740-Y753 HydrophobicContact CZ3-CG 4.4Å; F741-Y753 HydrophobicContact CD2-CE1 4.02Å; F741-Y753 HydrophobicContact CE2-CE1 4Å; G745-Y753 PolarHBondContact O-OH 3.06Å; L749-Y753 VanDerWaalsContact O-CD2 3.31Å; L749-Y753 WeakPolarHBondContact O-CD2 3.37Å; K750-Y753 PolarHBondContact O-N 3.13Å; N751-Y753 VanDerWaalsContact C-N 3.34Å; Y753-I755 VanDerWaalsContact C-N 3.29Å; Y753-I755 PolarHBondContact O-N 3.35Å; Y753-R756 PolarHBondContact O-N 2.82Å; Y753-R756 VanDerWaalsContact O-N 3.15Å; Y753-I757 VanDerWaalsContact O-CG1 3.26Å; Y753-I757 WeakPolarHBondContact O-CG1 3.43Å; Y753-I757 PolarHBondContact O-N 3.14Å
754D95.1Very high91.5Very high31 Ų3166.6 Ų66.617%0.16633%0.333CS..Hα-helixtrans-60.4-36.4-177.3-69.7-11.3000112.6S699 K750 N751 K758S699-D754 PolarHBondContact OG-OD1 3.06Å; K750-D754 IonicContact NZ-OD1 3.89Å; K750-D754 PolarHBondContact NZ-OD1 3.06Å; K750-D754 IonicContact NZ-OD2 3.85Å; K750-D754 PolarHBondContact NZ-OD2 3.31Å; K750-D754 VanDerWaalsContact O-CG 3.31Å; K750-D754 PolarHBondContact O-N 2.97Å; N751-D754 PolarHBondContact O-N 2.81Å; D754-K758 WeakPolarHBondContact O-CB 3.39Å; D754-K758 VanDerWaalsContact O-CG 3.24Å; D754-K758 WeakPolarHBondContact O-CG 3.27Å; D754-K758 PolarHBondContact O-N 2.82Å
755I95.6Very high91.9Very high84 Ų8465.8 Ų65.843%0.43133%0.332SS..Hα-helixtrans-61.1-49.2175.5-73.3165.3000110.4N751 Y753 K758 E759N751-I755 VanDerWaalsContact O-CG1 3.24Å; N751-I755 WeakPolarHBondContact O-CG1 3.24Å; N751-I755 PolarHBondContact O-N 3.46Å; Y753-I755 VanDerWaalsContact C-N 3.29Å; Y753-I755 PolarHBondContact O-N 3.35Å; I755-K758 PolarHBondContact O-N 2.97Å; I755-E759 PolarHBondContact O-N 3.44Å
756R96.1Very high92.6Very high53 Ų5367.4 Ų67.420%0.234%0.342CS..Hα-helixtrans-67.3-40.7-179.4-71.9170.2176.774.81.6112.1L703 W740 D752 Y753 K758 E759 I760L703-R756 HydrophobicContact CD1-CB 4.13Å; L703-R756 HydrophobicContact CD2-CB 4.21Å; W740-R756 VanDerWaalsContact CE3-NE 3.28Å; W740-R756 VanDerWaalsContact CG-CZ 3.43Å; W740-R756 VanDerWaalsContact CG-NE 3.33Å; W740-R756 VanDerWaalsContact NE1-NH2 3.17Å; D752-R756 PolarHBondContact O-NH1 3.1Å; Y753-R756 PolarHBondContact O-N 2.82Å; Y753-R756 VanDerWaalsContact O-N 3.15Å; R756-K758 VanDerWaalsContact C-N 3.32Å; R756-K758 PolarHBondContact O-N 2.86Å; R756-E759 PolarHBondContact O-N 2.77Å; R756-I760 WeakPolarHBondContact O-CG1 3.42Å; R756-I760 PolarHBondContact O-N 3.44Å
757I96.4Very high93.4Very high8 Ų859.6 Ų59.64%0.04131%0.306CS..Hα-helixtrans-56.2-49.5173.2-70.7164.3000109.8S699 L702 L703 L706 Y753 E759 Q761S699-I757 WeakPolarHBondContact O-CD1 3.45Å; L702-I757 HydrophobicContact CB-CD1 4.18Å; L702-I757 HydrophobicContact CD2-CD1 4.03Å; L702-I757 HydrophobicContact CD2-CG2 4.16Å; L702-I757 HydrophobicContact CG-CD1 4.04Å; L702-I757 HydrophobicContact CG-CG2 4.49Å; L703-I757 HydrophobicContact CB-CD1 4.15Å; L703-I757 HydrophobicContact CB-CG1 3.89Å; L703-I757 HydrophobicContact CD1-CG1 4.08Å; L706-I757 HydrophobicContact CD1-CB 4.28Å; L706-I757 HydrophobicContact CD1-CG1 4.1Å; L706-I757 HydrophobicContact CD1-CG2 3.77Å; Y753-I757 VanDerWaalsContact O-CG1 3.26Å; Y753-I757 WeakPolarHBondContact O-CG1 3.43Å; Y753-I757 PolarHBondContact O-N 3.14Å; I757-E759 PolarHBondContact O-N 2.77Å; I757-Q761 HydrophobicContact CG2-CG 4.3Å; I757-Q761 WeakPolarHBondContact O-CB 3.38Å; I757-Q761 WeakPolarHBondContact O-CG 3.34Å; I757-Q761 PolarHBondContact O-N 2.88Å
758K97.1Very high94.1Very high137 Ų13755.7 Ų55.760%0.59628%0.283SS*.Hα-helixtrans-63.3-40.7178.9-75.5171.7-177.3172.60112.4D754 I755 R756 Q761 S762D754-K758 WeakPolarHBondContact O-CB 3.39Å; D754-K758 VanDerWaalsContact O-CG 3.24Å; D754-K758 WeakPolarHBondContact O-CG 3.27Å; D754-K758 PolarHBondContact O-N 2.82Å; I755-K758 PolarHBondContact O-N 2.97Å; R756-K758 VanDerWaalsContact C-N 3.32Å; R756-K758 PolarHBondContact O-N 2.86Å; K758-Q761 PolarHBondContact O-N 3.14Å; K758-S762 WeakPolarHBondContact O-CB 3.35Å; K758-S762 PolarHBondContact O-N 3.4Å
759E96.8Very high94.7Very high92 Ų9261.1 Ų61.143%0.4330%0.3SS..Hα-helixtrans-62.1-52178-170.5175.8-166.500111.1V733 I755 R756 I757 Q761 S762 L763V733-E759 HydrophobicContact CG1-CG 3.97Å; I755-E759 PolarHBondContact O-N 3.44Å; R756-E759 PolarHBondContact O-N 2.77Å; I757-E759 PolarHBondContact O-N 2.77Å; E759-Q761 PolarHBondContact O-N 2.85Å; E759-S762 PolarHBondContact O-N 3.04Å; E759-S762 PolarHBondContact O-OG 3.5Å; E759-L763 PolarHBondContact O-N 2.94Å
760I96.3Very high94.8Very high1 Ų156.2 Ų56.21%0.00527%0.272CS..Hα-helixtrans-59.6-47.1176-64.7164.8000110.4L703 L707 L730 V733 L734 A737 R756 S762 L763 I764L703-I760 HydrophobicContact CD1-CD1 3.73Å; L707-I760 HydrophobicContact CD2-CD1 3.96Å; L730-I760 HydrophobicContact CD1-CG2 4.43Å; V733-I760 HydrophobicContact CG1-CG1 3.98Å; L734-I760 HydrophobicContact CD2-CD1 3.88Å; L734-I760 HydrophobicContact CD2-CG1 4.03Å; L734-I760 HydrophobicContact CD2-CG2 3.97Å; A737-I760 HydrophobicContact CB-CD1 4.1Å; R756-I760 WeakPolarHBondContact O-CG1 3.42Å; R756-I760 PolarHBondContact O-N 3.44Å; I760-S762 VanDerWaalsContact C-N 3.29Å; I760-S762 PolarHBondContact O-N 3.39Å; I760-L763 PolarHBondContact O-N 3.35Å; I760-L763 VanDerWaalsContact O-N 3.12Å; I760-I764 HydrophobicContact CG2-CG2 4.23Å; I760-I764 WeakPolarHBondContact O-CG2 3.22Å; I760-I764 PolarHBondContact O-N 3.28Å
761Q96.3Very high94.8Very high69 Ų6952.7 Ų52.732%0.32226%0.258SS..Hα-helixtrans-58.7-39.9179.1-78.4177.9-15.200112.2L706 I757 K758 E759 L763 I764 I765L706-Q761 HydrophobicContact CD1-CG 4.36Å; I757-Q761 HydrophobicContact CG2-CG 4.3Å; I757-Q761 WeakPolarHBondContact O-CB 3.38Å; I757-Q761 WeakPolarHBondContact O-CG 3.34Å; I757-Q761 PolarHBondContact O-N 2.88Å; K758-Q761 PolarHBondContact O-N 3.14Å; E759-Q761 PolarHBondContact O-N 2.85Å; Q761-L763 PolarHBondContact O-N 3.13Å; Q761-I764 HydrophobicContact CG-CD1 4.25Å; Q761-I764 WeakPolarHBondContact O-CG1 3.37Å; Q761-I764 PolarHBondContact O-N 3.14Å; Q761-I765 HydrophobicContact CB-CD1 4.43Å; Q761-I765 WeakPolarHBondContact O-CB 3.48Å; Q761-I765 VanDerWaalsContact O-CD1 3.29Å; Q761-I765 WeakPolarHBondContact O-CD1 3.02Å; Q761-I765 WeakPolarHBondContact O-CG1 3.06Å; Q761-I765 PolarHBondContact O-N 3.1Å
762S96.4Very high94.7Very high69 Ų6951.4 Ų51.448%0.48325%0.254SS..Hα-helixtrans-62.1-29.6179.2770000113.3K758 E759 I760 P766K758-S762 WeakPolarHBondContact O-CB 3.35Å; K758-S762 PolarHBondContact O-N 3.4Å; E759-S762 PolarHBondContact O-N 3.04Å; E759-S762 PolarHBondContact O-OG 3.5Å; I760-S762 VanDerWaalsContact C-N 3.29Å; I760-S762 PolarHBondContact O-N 3.39Å; S762-P766 VanDerWaalsContact O-CD 3.27Å; S762-P766 WeakPolarHBondContact O-CD 3.49Å
763L95.1Very high94.6Very high37 Ų3750.8 Ų50.819%0.19425%0.249CC..Hα-helixtrans-86.5-34.5178.9-63.4-178.7000113.1L730 V733 E759 I760 Q761L730-L763 HydrophobicContact CB-CD1 4.44Å; L730-L763 HydrophobicContact CD1-CB 3.78Å; L730-L763 HydrophobicContact CD1-CD1 4.12Å; V733-L763 HydrophobicContact CB-CD1 4.12Å; V733-L763 HydrophobicContact CG1-CD1 4.39Å; V733-L763 HydrophobicContact CG2-CD1 3.84Å; E759-L763 PolarHBondContact O-N 2.94Å; I760-L763 PolarHBondContact O-N 3.35Å; I760-L763 VanDerWaalsContact O-N 3.12Å; Q761-L763 PolarHBondContact O-N 3.13Å
764I94.3Very high94.4Very high7 Ų752.5 Ų52.54%0.03626%0.259CS..Hα-helixtrans-78.2-31.8179.170.9-172.4000112.6L706 T710 Y718 L730 I760 Q761 I767 Q768L706-I764 HydrophobicContact CD2-CD1 4.27Å; T710-I764 HydrophobicContact CG2-CG2 3.72Å; Y718-I764 HydrophobicContact CE2-CB 4.32Å; Y718-I764 HydrophobicContact CE2-CG2 4.07Å; L730-I764 HydrophobicContact CD1-CG2 3.91Å; L730-I764 HydrophobicContact CD2-CG2 4.03Å; I760-I764 HydrophobicContact CG2-CG2 4.23Å; I760-I764 WeakPolarHBondContact O-CG2 3.22Å; I760-I764 PolarHBondContact O-N 3.28Å; Q761-I764 HydrophobicContact CG-CD1 4.25Å; Q761-I764 WeakPolarHBondContact O-CG1 3.37Å; Q761-I764 PolarHBondContact O-N 3.14Å; I764-I767 PolarHBondContact O-N 3.02Å; I764-I767 VanDerWaalsContact O-N 3.14Å; I764-Q768 WeakPolarHBondContact O-CB 3.44Å; I764-Q768 WeakPolarHBondContact O-CG 3.49Å; I764-Q768 PolarHBondContact O-N 3.09Å
765I94.7Very high94.1Very high98 Ų9856.3 Ų56.350%0.50327%0.274SS..Hα-helixtrans-55.7-47.4-174.6-77.5163.5000112.2Q761 I767 Q768 R769Q761-I765 HydrophobicContact CB-CD1 4.43Å; Q761-I765 WeakPolarHBondContact O-CB 3.48Å; Q761-I765 VanDerWaalsContact O-CD1 3.29Å; Q761-I765 WeakPolarHBondContact O-CD1 3.02Å; Q761-I765 WeakPolarHBondContact O-CG1 3.06Å; Q761-I765 PolarHBondContact O-N 3.1Å; I765-I767 PolarHBondContact O-N 2.79Å; I765-Q768 PolarHBondContact O-N 3.46Å; I765-R769 WeakPolarHBondContact O-CB 3.23Å; I765-R769 PolarHBondContact O-N 2.97Å
766P93.7Very high93.9Very high36 Ų3656.8 Ų56.823%0.23427%0.274CS..Hα-helixtrans-59.9-42.8176.2-25.234.9000113.4S762 R769 R770S762-P766 VanDerWaalsContact O-CD 3.27Å; S762-P766 WeakPolarHBondContact O-CD 3.49Å; P766-R769 WeakPolarHBondContact O-CB 3.4Å; P766-R769 PolarHBondContact O-N 3.49Å; P766-R770 WeakPolarHBondContact O-CG 3.42Å; P766-R770 PolarHBondContact O-N 3.31Å
767I93.8Very high93.8Very high1 Ų156 Ų561%0.00527%0.271CS..Hα-helixtrans-65.7-45.3179.7-58176.7000110.5Y718 L727 L730 I764 I765 R769 R770 S771Y718-I767 HydrophobicContact CD1-CG2 3.59Å; Y718-I767 HydrophobicContact CE1-CG2 4.31Å; Y718-I767 HydrophobicContact CG-CG2 3.74Å; L727-I767 HydrophobicContact CD2-CD1 4.04Å; L730-I767 HydrophobicContact CD2-CD1 4.31Å; I764-I767 PolarHBondContact O-N 3.02Å; I764-I767 VanDerWaalsContact O-N 3.14Å; I765-I767 PolarHBondContact O-N 2.79Å; I767-R769 VanDerWaalsContact C-N 3.31Å; I767-R769 PolarHBondContact O-N 2.87Å; I767-R770 PolarHBondContact O-N 3.46Å; I767-S771 WeakPolarHBondContact O-CB 2.81Å; I767-S771 PolarHBondContact O-N 3.43Å
768Q92.7Very high93.4Very high75 Ų7559 Ų5935%0.3530%0.297SS..Hα-helixtrans-61.9-39.3176-72.3178.6-7.100111.7Y718 I764 I765 S771 T772Y718-Q768 HydrophobicContact CE1-CG 3.99Å; Y718-Q768 WeakPolarHBondContact OH-CG 3.34Å; Y718-Q768 PolarHBondContact OH-NE2 2.61Å; I764-Q768 WeakPolarHBondContact O-CB 3.44Å; I764-Q768 WeakPolarHBondContact O-CG 3.49Å; I764-Q768 PolarHBondContact O-N 3.09Å; I765-Q768 PolarHBondContact O-N 3.46Å; Q768-S771 WeakPolarHBondContact O-CB 3.12Å; Q768-S771 PolarHBondContact O-N 2.88Å; Q768-T772 WeakPolarHBondContact O-CB 3.21Å; Q768-T772 PolarHBondContact O-N 2.85Å; Q768-T772 PolarHBondContact O-OG1 2.84Å
769R93Very high93.3Very high125 Ų12559.7 Ų59.747%0.47230%0.3SS..Hα-helixtrans-60.8-49.4174.8-176.2-177.365.6-178.70.1111.3I765 P766 I767 S771 T772 E773 D873I765-R769 WeakPolarHBondContact O-CB 3.23Å; I765-R769 PolarHBondContact O-N 2.97Å; P766-R769 WeakPolarHBondContact O-CB 3.4Å; P766-R769 PolarHBondContact O-N 3.49Å; I767-R769 VanDerWaalsContact C-N 3.31Å; I767-R769 PolarHBondContact O-N 2.87Å; R769-S771 PolarHBondContact O-N 2.89Å; R769-T772 PolarHBondContact O-N 3.21Å; R769-E773 WeakPolarHBondContact O-CG 3.41Å; R769-E773 PolarHBondContact O-N 2.78Å; R769-D873 IonicContact CZ-OD1 3.25Å; R769-D873 IonicContact CZ-OD2 2.84Å; R769-D873 IonicContact NE-OD1 3.35Å; R769-D873 IonicContact NH2-OD1 3.21Å; R769-D873 PolarHBondContact NH2-OD1 3.29Å; R769-D873 IonicContact NH2-OD2 3.76Å; R769-D873 PolarHBondContact NH2-OD2 2.98Å
770R93.2Very high93.2Very high20 Ų2055.6 Ų55.68%0.07528%0.281CS..Hα-helixtrans-60.9-44.5177.3-66.8175-162.51470.4112Y721 E726 P766 I767 T772 E773 I774 Y871 E872 D873Y721-R770 WeakPolarHBondContact O-CD 3.44Å; Y721-R770 PolarHBondContact O-NH1 3.5Å; E726-R770 VanDerWaalsContact CD-NH1 3.31Å; E726-R770 IonicContact OE1-CZ 2.87Å; E726-R770 IonicContact OE1-NH1 2.63Å; E726-R770 PolarHBondContact OE1-NH1 2.99Å; E726-R770 IonicContact OE1-NH2 3.3Å; E726-R770 PolarHBondContact OE1-NH2 3.13Å; E726-R770 IonicContact OE2-CZ 2.85Å; E726-R770 IonicContact OE2-NH1 2.91Å; E726-R770 PolarHBondContact OE2-NH1 3.41Å; E726-R770 IonicContact OE2-NH2 3.4Å; P766-R770 WeakPolarHBondContact O-CG 3.42Å; P766-R770 PolarHBondContact O-N 3.31Å; I767-R770 PolarHBondContact O-N 3.46Å; R770-T772 VanDerWaalsContact C-N 3.33Å; R770-T772 PolarHBondContact O-N 3.01Å; R770-E773 PolarHBondContact O-N 3.15Å; R770-I774 WeakPolarHBondContact O-CG1 3.22Å; R770-I774 PolarHBondContact O-N 3.5Å; R770-Y871 PolarHBondContact NE-O 2.76Å; R770-Y871 PolarHBondContact NH1-O 3.15Å; R770-E872 WeakPolarHBondContact CD-O 3.46Å; R770-D873 IonicContact CZ-OD1 2.78Å; R770-D873 IonicContact NE-OD1 3.76Å; R770-D873 PolarHBondContact NE-OD1 3.2Å; R770-D873 VanDerWaalsContact NE-OD1 3.13Å; R770-D873 IonicContact NH2-OD1 2.68Å
771S91Very high93Very high8 Ų856.7 Ų56.76%0.05629%0.287CS..Hα-helixtrans-56-46.7174.2-177.30000112.1Y721 I767 Q768 R769 I774 K775Y721-S771 WeakPolarHBondContact CD2-OG 3.29Å; Y721-S771 WeakPolarHBondContact CE2-OG 3.45Å; I767-S771 WeakPolarHBondContact O-CB 2.81Å; I767-S771 PolarHBondContact O-N 3.43Å; Q768-S771 WeakPolarHBondContact O-CB 3.12Å; Q768-S771 PolarHBondContact O-N 2.88Å; R769-S771 PolarHBondContact O-N 2.89Å; S771-I774 PolarHBondContact O-N 3.2Å; S771-K775 WeakPolarHBondContact O-CB 3.32Å; S771-K775 VanDerWaalsContact O-CG 3.31Å; S771-K775 WeakPolarHBondContact O-CG 3.3Å; S771-K775 PolarHBondContact O-N 3.28Å
772T91.5Very high92.9Very high71 Ų7158.2 Ų58.244%0.43630%0.297SS..Hα-helixtrans-65.1-48.7-180-57.50000111.1Q768 R769 R770 I774 K775 H776Q768-T772 WeakPolarHBondContact O-CB 3.21Å; Q768-T772 PolarHBondContact O-N 2.85Å; Q768-T772 PolarHBondContact O-OG1 2.84Å; R769-T772 PolarHBondContact O-N 3.21Å; R770-T772 VanDerWaalsContact C-N 3.33Å; R770-T772 PolarHBondContact O-N 3.01Å; T772-I774 VanDerWaalsContact C-N 3.33Å; T772-I774 PolarHBondContact O-N 3.28Å; T772-K775 PolarHBondContact O-N 3.29Å; T772-H776 PolarHBondContact O-CD2 2.81Å; T772-H776 PolarHBondContact O-N 2.97Å
773E92.7Very high92.9Very high39 Ų3957.4 Ų57.418%0.18229%0.291CS..Hα-helixtrans-55.1-45.6176.2-77.3-68.6154.100111.9R769 R770 H776 R777 P874 V878R769-E773 WeakPolarHBondContact O-CG 3.41Å; R769-E773 PolarHBondContact O-N 2.78Å; R770-E773 PolarHBondContact O-N 3.15Å; E773-H776 PolarHBondContact O-N 2.89Å; E773-R777 WeakPolarHBondContact O-CB 3.37Å; E773-R777 PolarHBondContact O-N 2.85Å; E773-P874 HydrophobicContact CB-CG 3.95Å; E773-P874 HydrophobicContact CG-CG 4.06Å; E773-V878 WeakPolarHBondContact O-CG2 3.28Å; E773-V878 WeakPolarHBondContact OE2-CB 3.24Å; E773-V878 VanDerWaalsContact OE2-CG2 3.32Å; E773-V878 WeakPolarHBondContact OE2-CG2 3.41Å; E773-V878 PolarHBondContact OE2-N 2.81Å
774I89.5Confident93Very high42 Ų4255.6 Ų55.622%0.21528%0.282CS..Hα-helixtrans-67.9-43.6179.5-68.7161.9000111.7Y721 R770 S771 T772 H776 R777 T870Y721-I774 HydrophobicContact CD1-CD1 3.56Å; Y721-I774 HydrophobicContact CE1-CB 4.17Å; Y721-I774 HydrophobicContact CE1-CD1 3.68Å; Y721-I774 HydrophobicContact CE1-CG2 4.18Å; R770-I774 WeakPolarHBondContact O-CG1 3.22Å; R770-I774 PolarHBondContact O-N 3.5Å; S771-I774 PolarHBondContact O-N 3.2Å; T772-I774 VanDerWaalsContact C-N 3.33Å; T772-I774 PolarHBondContact O-N 3.28Å; I774-H776 VanDerWaalsContact C-N 3.26Å; I774-H776 PolarHBondContact O-N 2.69Å; I774-R777 WeakPolarHBondContact O-CB 3.46Å; I774-R777 PolarHBondContact O-N 2.9Å; I774-T870 HydrophobicContact CD1-CG2 3.86Å
775K88.9Confident93.1Very high111 Ų11158.7 Ų58.748%0.48330%0.298SS..Hα-helixtrans-60.1-35177.4-75.9176.3-176.8178.30112.1D717 S771 T772D717-K775 IonicContact OD2-NZ 3.76Å; D717-K775 PolarHBondContact OD2-NZ 3.14Å; D717-K775 VanDerWaalsContact OD2-NZ 3.17Å; S771-K775 WeakPolarHBondContact O-CB 3.32Å; S771-K775 VanDerWaalsContact O-CG 3.31Å; S771-K775 WeakPolarHBondContact O-CG 3.3Å; S771-K775 PolarHBondContact O-N 3.28Å; T772-K775 PolarHBondContact O-N 3.29Å
776H92.9Very high93.1Very high94 Ų9460 Ų6044%0.43530%0.301SS..Hα-helixtrans-88.6-21.2179.4-68.4-68.7000114.3T772 E773 I774 A778 K779 A780 V878T772-H776 PolarHBondContact O-CD2 2.81Å; T772-H776 PolarHBondContact O-N 2.97Å; E773-H776 PolarHBondContact O-N 2.89Å; I774-H776 VanDerWaalsContact C-N 3.26Å; I774-H776 PolarHBondContact O-N 2.69Å; H776-A778 PolarHBondContact O-N 3.23Å; H776-K779 PolarHBondContact O-N 3.49Å; H776-A780 PolarHBondContact O-N 3.4Å; H776-A780 VanDerWaalsContact O-N 3.11Å; H776-V878 HydrophobicContact CB-CG1 4.36Å; H776-V878 HydrophobicContact CB-CG2 4.06Å
777R92.8Very high93.3Very high35 Ų3559.1 Ų59.113%0.13229%0.294CS..Hα-helixtrans-51.9-52.1-179.4-173.6-168.9-63-176.6-2.4113.5E773 I774 K779 A780 I781 L865 V878E773-R777 WeakPolarHBondContact O-CB 3.37Å; E773-R777 PolarHBondContact O-N 2.85Å; I774-R777 WeakPolarHBondContact O-CB 3.46Å; I774-R777 PolarHBondContact O-N 2.9Å; R777-K779 VanDerWaalsContact C-N 3.28Å; R777-K779 PolarHBondContact O-N 2.88Å; R777-A780 PolarHBondContact O-N 2.81Å; R777-A780 VanDerWaalsContact O-N 3.12Å; R777-I781 HydrophobicContact CG-CD1 3.81Å; R777-I781 HydrophobicContact CG-CG1 4.43Å; R777-I781 WeakPolarHBondContact O-CG1 3.33Å; R777-I781 PolarHBondContact O-N 2.89Å; R777-L865 HydrophobicContact CG-CD1 4.33Å; R777-L865 PolarHBondContact NH1-O 3.2Å; R777-V878 HydrophobicContact CB-CG2 4.38Å
778A89.4Confident93.4Very high71 Ų7159.8 Ų59.859%0.58730%0.298SS*.Hα-helixtrans-61.1-37.8-176.500000112.3H776 L782H776-A778 PolarHBondContact O-N 3.23Å; A778-L782 VanDerWaalsContact O-CB 3.29Å; A778-L782 WeakPolarHBondContact O-CB 2.97Å; A778-L782 PolarHBondContact O-N 3.01Å
779K93.4Very high93.5Very high153 Ų15362.8 Ų62.867%0.66531%0.312SS*.Hα-helixtrans-66.6-41.6176.1-66.3-177.9179.8179.80111.4H776 R777 L782 S783H776-K779 PolarHBondContact O-N 3.49Å; R777-K779 VanDerWaalsContact C-N 3.28Å; R777-K779 PolarHBondContact O-N 2.88Å; K779-L782 PolarHBondContact O-N 2.81Å; K779-S783 WeakPolarHBondContact O-CB 3.45Å; K779-S783 PolarHBondContact O-N 2.86Å
780A94.6Very high93.6Very high5 Ų560.8 Ų60.84%0.04131%0.31CS..Hα-helixtrans-65.8-44.7177.900000112.2H776 R777 L782 S783 F784 V878 I881H776-A780 PolarHBondContact O-N 3.4Å; H776-A780 VanDerWaalsContact O-N 3.11Å; R777-A780 PolarHBondContact O-N 2.81Å; R777-A780 VanDerWaalsContact O-N 3.12Å; A780-L782 PolarHBondContact O-N 3.47Å; A780-S783 PolarHBondContact O-N 3.48Å; A780-F784 PolarHBondContact O-N 3.16Å; A780-V878 HydrophobicContact CB-CG1 3.94Å; A780-I881 HydrophobicContact CB-CB 4.36Å; A780-I881 HydrophobicContact CB-CG2 4.02Å
781I94Very high93.7Very high25 Ų2559.9 Ų59.913%0.12831%0.307CS..Hα-helixtrans-63.2-42.7176.2-66.3173.4000110.9R777 F784 N785 L858 T862 I881R777-I781 HydrophobicContact CG-CD1 3.81Å; R777-I781 HydrophobicContact CG-CG1 4.43Å; R777-I781 WeakPolarHBondContact O-CG1 3.33Å; R777-I781 PolarHBondContact O-N 2.89Å; I781-F784 PolarHBondContact O-N 3.26Å; I781-N785 WeakPolarHBondContact O-CB 3.39Å; I781-N785 PolarHBondContact O-N 3.28Å; I781-N785 PolarHBondContact O-ND2 2.98Å; I781-N785 VanDerWaalsContact O-ND2 3.1Å; I781-L858 HydrophobicContact CG1-CD1 4.36Å; I781-L858 HydrophobicContact CG2-CD1 4.39Å; I781-T862 HydrophobicContact CD1-CG2 4.23Å; I781-I881 HydrophobicContact CG1-CD1 4.07Å
782L94Very high94Very high100 Ų10063.1 Ų63.152%0.52432%0.321SS..Hα-helixtrans-62.6-43.1176.7-177.467.3000111.9A778 K779 A780 N785 K786A778-L782 VanDerWaalsContact O-CB 3.29Å; A778-L782 WeakPolarHBondContact O-CB 2.97Å; A778-L782 PolarHBondContact O-N 3.01Å; K779-L782 PolarHBondContact O-N 2.81Å; A780-L782 PolarHBondContact O-N 3.47Å; L782-N785 PolarHBondContact O-N 3.21Å; L782-K786 WeakPolarHBondContact O-CG 3.46Å; L782-K786 PolarHBondContact O-N 3.23Å; L782-K786 VanDerWaalsContact O-N 3.11Å
783S95.2Very high94.1Very high52 Ų5265.7 Ų65.736%0.36433%0.326SS..Hα-helixtrans-60-48175.3-165.40000111K779 A780 N785 K786 T787 E885K779-S783 WeakPolarHBondContact O-CB 3.45Å; K779-S783 PolarHBondContact O-N 2.86Å; A780-S783 PolarHBondContact O-N 3.48Å; S783-N785 PolarHBondContact O-N 3.4Å; S783-K786 WeakPolarHBondContact O-CB 3.48Å; S783-K786 PolarHBondContact O-N 2.99Å; S783-K786 VanDerWaalsContact O-N 3.12Å; S783-T787 PolarHBondContact O-N 2.96Å; S783-T787 PolarHBondContact O-OG1 2.98Å; S783-E885 WeakPolarHBondContact CB-OE1 3.33Å; S783-E885 VanDerWaalsContact O-OE1 3.14Å; S783-E885 PolarHBondContact OG-OE1 3.49Å; S783-E885 PolarHBondContact OG-OE2 3.16Å
784F97.2Very high94.2Very high0 Ų064.1 Ų64.10%032%0.319CS..Hα-helixtrans-65.2-39.8-178.8-162.8-179.9000112.1A780 I781 K786 T787 I788 W857 L858 I881 K884 E885 L888A780-F784 PolarHBondContact O-N 3.16Å; I781-F784 PolarHBondContact O-N 3.26Å; F784-K786 VanDerWaalsContact C-N 3.33Å; F784-K786 PolarHBondContact O-N 2.9Å; F784-T787 WeakPolarHBondContact O-CB 3.44Å; F784-T787 PolarHBondContact O-N 3.18Å; F784-T787 VanDerWaalsContact O-N 3.11Å; F784-I788 HydrophobicContact CD2-CD1 4.22Å; F784-I788 HydrophobicContact CD2-CG1 4.15Å; F784-I788 HydrophobicContact CE2-CD1 4.26Å; F784-I788 HydrophobicContact CE2-CG1 4.15Å; F784-I788 WeakPolarHBondContact O-CG1 3.25Å; F784-I788 PolarHBondContact O-N 3.26Å; F784-W857 HydrophobicContact CD1-CZ3 4.33Å; F784-W857 AromaticContact CE1-CE3 3.79Å; F784-W857 HydrophobicContact CE1-CE3 3.79Å; F784-W857 AromaticContact CE1-CZ3 3.75Å; F784-W857 HydrophobicContact CE1-CZ3 3.75Å; F784-L858 HydrophobicContact CB-CD2 4Å; F784-L858 HydrophobicContact CD1-CB 4.33Å; F784-L858 HydrophobicContact CD1-CD1 3.72Å; F784-L858 HydrophobicContact CD1-CD2 3.93Å; F784-L858 HydrophobicContact CD1-CG 4.21Å; F784-L858 HydrophobicContact CE1-CB 4.29Å; F784-L858 HydrophobicContact CE1-CD1 4.35Å; F784-L858 HydrophobicContact CG-CD1 4.44Å; F784-L858 HydrophobicContact CG-CD2 3.93Å; F784-I881 HydrophobicContact CB-CG2 4.35Å; F784-I881 HydrophobicContact CD1-CG2 3.91Å; F784-K884 HydrophobicContact CE1-CB 3.63Å; F784-K884 HydrophobicContact CZ-CB 3.86Å; F784-E885 HydrophobicContact CB-CB 4.18Å; F784-E885 HydrophobicContact CB-CG 4.31Å; F784-E885 HydrophobicContact CD1-CB 4.28Å; F784-E885 HydrophobicContact CD2-CB 3.72Å; F784-E885 HydrophobicContact CD2-CG 3.95Å; F784-E885 HydrophobicContact CE2-CB 4.16Å; F784-E885 HydrophobicContact CG-CB 3.81Å; F784-E885 HydrophobicContact CG-CG 4.26Å; F784-E885 PolarHBondContact N-OE1 2.84Å; F784-L888 HydrophobicContact CE2-CB 4.38Å; F784-L888 HydrophobicContact CE2-CD2 4.15Å
785N96.1Very high94.4Very high71 Ų7162.4 Ų62.438%0.3831%0.31SS..Hα-helixtrans-58.7-42.2172.3-80.7-48.9000112.5I781 L782 S783 T787 I788 E789 L858I781-N785 WeakPolarHBondContact O-CB 3.39Å; I781-N785 PolarHBondContact O-N 3.28Å; I781-N785 PolarHBondContact O-ND2 2.98Å; I781-N785 VanDerWaalsContact O-ND2 3.1Å; L782-N785 PolarHBondContact O-N 3.21Å; S783-N785 PolarHBondContact O-N 3.4Å; N785-T787 VanDerWaalsContact C-N 3.32Å; N785-T787 PolarHBondContact O-N 3.45Å; N785-I788 WeakPolarHBondContact O-CB 3.46Å; N785-I788 PolarHBondContact O-N 3.39Å; N785-E789 WeakPolarHBondContact O-CG 3.15Å; N785-E789 PolarHBondContact O-N 3.04Å; N785-L858 WeakPolarHBondContact OD1-CD2 3.48Å
786K96.2Very high94.6Very high126 Ų12661.1 Ų61.155%0.54831%0.309SS..Hα-helixtrans-62.5-38.9173.9-71.4176.4178.3-1780112.2L782 S783 F784 I788 E789 L790L782-K786 WeakPolarHBondContact O-CG 3.46Å; L782-K786 PolarHBondContact O-N 3.23Å; L782-K786 VanDerWaalsContact O-N 3.11Å; S783-K786 WeakPolarHBondContact O-CB 3.48Å; S783-K786 PolarHBondContact O-N 2.99Å; S783-K786 VanDerWaalsContact O-N 3.12Å; F784-K786 VanDerWaalsContact C-N 3.33Å; F784-K786 PolarHBondContact O-N 2.9Å; K786-I788 VanDerWaalsContact C-N 3.33Å; K786-E789 PolarHBondContact O-N 3.37Å; K786-L790 WeakPolarHBondContact O-CB 3.34Å; K786-L790 PolarHBondContact O-N 3.14Å
787T96.5Very high94.5Very high17 Ų1759.5 Ų59.510%0.10430%0.301CS..Hα-helixtrans-64.6-37.2175-63.60000111.3S783 F784 N785 L790 A791 E885 L888 I892S783-T787 PolarHBondContact O-N 2.96Å; S783-T787 PolarHBondContact O-OG1 2.98Å; F784-T787 WeakPolarHBondContact O-CB 3.44Å; F784-T787 PolarHBondContact O-N 3.18Å; F784-T787 VanDerWaalsContact O-N 3.11Å; N785-T787 VanDerWaalsContact C-N 3.32Å; N785-T787 PolarHBondContact O-N 3.45Å; T787-L790 PolarHBondContact O-N 3.43Å; T787-A791 PolarHBondContact O-N 3.49Å; T787-E885 HydrophobicContact CG2-CG 4.07Å; T787-E885 PolarHBondContact OG1-OE1 3.2Å; T787-L888 HydrophobicContact CG2-CB 4.39Å; T787-L888 HydrophobicContact CG2-CD2 4.19Å; T787-L888 HydrophobicContact CG2-CG 4.25Å; T787-I892 HydrophobicContact CG2-CD1 3.79Å; T787-I892 VanDerWaalsContact O-CD1 3.29Å; T787-I892 WeakPolarHBondContact O-CD1 3.29Å
788I96.4Very high94.4Very high16 Ų1657.8 Ų57.88%0.08230%0.295CS..Hα-helixtrans-66.2-42.6172.9-67.8166.5000111.4F784 N785 K786 L790 A791 Q792 M851 K855 L858 L888F784-I788 HydrophobicContact CD2-CD1 4.22Å; F784-I788 HydrophobicContact CD2-CG1 4.15Å; F784-I788 HydrophobicContact CE2-CD1 4.26Å; F784-I788 HydrophobicContact CE2-CG1 4.15Å; F784-I788 WeakPolarHBondContact O-CG1 3.25Å; F784-I788 PolarHBondContact O-N 3.26Å; N785-I788 WeakPolarHBondContact O-CB 3.46Å; N785-I788 PolarHBondContact O-N 3.39Å; K786-I788 VanDerWaalsContact C-N 3.33Å; I788-L790 VanDerWaalsContact C-N 3.3Å; I788-L790 PolarHBondContact O-N 2.89Å; I788-A791 WeakPolarHBondContact O-CB 3.32Å; I788-A791 PolarHBondContact O-N 3.49Å; I788-Q792 PolarHBondContact O-N 2.88Å; I788-M851 HydrophobicContact CG2-CG 4.2Å; I788-K855 HydrophobicContact CD1-CB 4.35Å; I788-L858 HydrophobicContact CD1-CB 4.46Å; I788-L858 HydrophobicContact CD1-CD2 3.7Å; I788-L888 HydrophobicContact CB-CD2 4.47Å; I788-L888 HydrophobicContact CG1-CD2 3.74Å
789E95.5Very high94.4Very high137 Ų13756 Ų5664%0.6428%0.277SS*.Hα-helixtrans-61.1-40.5174.2-72.1176.2178.100111.7N785 K786 Q792 K793N785-E789 WeakPolarHBondContact O-CG 3.15Å; N785-E789 PolarHBondContact O-N 3.04Å; K786-E789 PolarHBondContact O-N 3.37Å; E789-Q792 WeakPolarHBondContact O-CB 3.31Å; E789-Q792 PolarHBondContact O-N 2.85Å; E789-K793 PolarHBondContact O-N 2.91Å
790L95.4Very high94.1Very high84 Ų8453.9 Ų53.944%0.4427%0.269SS..Hα-helixtrans-63.4-43.7174.1-176.262.8000111.2K786 T787 I788 Q792 K793 T794 I892K786-L790 WeakPolarHBondContact O-CB 3.34Å; K786-L790 PolarHBondContact O-N 3.14Å; T787-L790 PolarHBondContact O-N 3.43Å; I788-L790 VanDerWaalsContact C-N 3.3Å; I788-L790 PolarHBondContact O-N 2.89Å; L790-Q792 VanDerWaalsContact C-N 3.3Å; L790-Q792 PolarHBondContact O-N 3.3Å; L790-K793 WeakPolarHBondContact O-CB 3.39Å; L790-K793 PolarHBondContact O-N 3.01Å; L790-T794 PolarHBondContact O-N 3.36Å; L790-T794 PolarHBondContact O-OG1 3.43Å; L790-T794 VanDerWaalsContact O-OG1 3.08Å; L790-I892 HydrophobicContact CB-CD1 4.25Å; L790-I892 HydrophobicContact CD2-CD1 4.28Å; L790-I892 HydrophobicContact CD2-CG2 3.95Å; L790-I892 HydrophobicContact CG-CD1 4.21Å; L790-I892 HydrophobicContact CG-CG2 3.97Å
791A95.4Very high93.5Very high0 Ų054.6 Ų54.60%027%0.272CS..Hα-helixtrans-58.4-41.917400000111.9T787 I788 K793 T794 L795 L847 M851 L888 I892T787-A791 PolarHBondContact O-N 3.49Å; I788-A791 WeakPolarHBondContact O-CB 3.32Å; I788-A791 PolarHBondContact O-N 3.49Å; A791-K793 VanDerWaalsContact C-N 3.35Å; A791-K793 PolarHBondContact O-N 3.32Å; A791-T794 PolarHBondContact O-N 3.43Å; A791-L795 WeakPolarHBondContact O-CB 3.39Å; A791-L795 PolarHBondContact O-N 2.84Å; A791-L847 HydrophobicContact CB-CD1 4.43Å; A791-M851 HydrophobicContact CB-CB 4.29Å; A791-M851 HydrophobicContact CB-CG 4.02Å; A791-M851 HydrophobicContact CB-SD 4.07Å; A791-L888 HydrophobicContact CB-CD1 4Å; A791-L888 HydrophobicContact CB-CD2 4.01Å; A791-L888 HydrophobicContact CB-CG 4.18Å; A791-I892 HydrophobicContact CB-CD1 3.76Å; A791-I892 HydrophobicContact CB-CG1 3.87Å
792Q95.9Very high92.9Very high77 Ų7754 Ų5436%0.3627%0.27SS..Hα-helixtrans-63.5-40.9176.6-177.163.272.100111.7I788 E789 L790 L795 N796 M851I788-Q792 PolarHBondContact O-N 2.88Å; E789-Q792 WeakPolarHBondContact O-CB 3.31Å; E789-Q792 PolarHBondContact O-N 2.85Å; L790-Q792 VanDerWaalsContact C-N 3.3Å; L790-Q792 PolarHBondContact O-N 3.3Å; Q792-L795 PolarHBondContact O-N 3.21Å; Q792-N796 PolarHBondContact NE2-OD1 2.96Å; Q792-N796 WeakPolarHBondContact O-CB 3.47Å; Q792-N796 PolarHBondContact O-N 2.95Å; Q792-N796 PolarHBondContact O-ND2 2.78Å; Q792-N796 PolarHBondContact O-OD1 2.95Å; Q792-M851 HydrophobicContact CB-SD 3.83Å; Q792-M851 VanDerWaalsContact OE1-CE 3.31Å
793K94.7Very high92.3Very high125 Ų12554 Ų5454%0.54327%0.266SS..Hα-helixtrans-63-48.8174.8-174.9-177.6175.6-175.60111.2E789 L790 A791 L795 N796 E797E789-K793 PolarHBondContact O-N 2.91Å; L790-K793 WeakPolarHBondContact O-CB 3.39Å; L790-K793 PolarHBondContact O-N 3.01Å; A791-K793 VanDerWaalsContact C-N 3.35Å; A791-K793 PolarHBondContact O-N 3.32Å; K793-L795 VanDerWaalsContact C-N 3.32Å; K793-L795 PolarHBondContact O-N 3.34Å; K793-N796 PolarHBondContact O-N 2.94Å; K793-E797 WeakPolarHBondContact CE-OE1 3.32Å; K793-E797 PolarHBondContact O-N 3.38Å
794T93.8Very high91.4Very high5 Ų555.9 Ų55.93%0.03127%0.272CS..Hα-helixtrans-58-43.8176.4-60.40000111.1L790 A791 E797 M798 L847 M899L790-T794 PolarHBondContact O-N 3.36Å; L790-T794 PolarHBondContact O-OG1 3.43Å; L790-T794 VanDerWaalsContact O-OG1 3.08Å; A791-T794 PolarHBondContact O-N 3.43Å; T794-E797 PolarHBondContact O-N 3.2Å; T794-M798 HydrophobicContact CG2-SD 4.13Å; T794-M798 VanDerWaalsContact O-CG 3.26Å; T794-M798 WeakPolarHBondContact O-CG 3.27Å; T794-M798 PolarHBondContact O-N 3.36Å; T794-L847 HydrophobicContact CG2-CD2 3.88Å; T794-M899 HydrophobicContact CG2-CE 3.62Å
795L94Very high90.2Very high6 Ų656.5 Ų56.53%0.03127%0.274CS..Hα-helixtrans-63-43.1176.7-177.165.6000112.1A791 Q792 K793 E797 M798 V799 I844 L847 R848 M851A791-L795 WeakPolarHBondContact O-CB 3.39Å; A791-L795 PolarHBondContact O-N 2.84Å; Q792-L795 PolarHBondContact O-N 3.21Å; K793-L795 VanDerWaalsContact C-N 3.32Å; K793-L795 PolarHBondContact O-N 3.34Å; L795-E797 VanDerWaalsContact C-N 3.35Å; L795-M798 PolarHBondContact O-N 2.9Å; L795-V799 WeakPolarHBondContact O-CG2 3.37Å; L795-V799 PolarHBondContact O-N 3.2Å; L795-I844 HydrophobicContact CD1-CG2 3.75Å; L795-I844 WeakPolarHBondContact CD1-O 3.28Å; L795-L847 HydrophobicContact CB-CD2 4.06Å; L795-L847 HydrophobicContact CD1-CB 4.41Å; L795-L847 HydrophobicContact CD1-CD2 4.43Å; L795-R848 HydrophobicContact CD1-CB 4.23Å; L795-R848 HydrophobicContact CD2-CB 3.93Å; L795-R848 HydrophobicContact CD2-CG 4.19Å; L795-M851 HydrophobicContact CD2-CE 3.76Å
796N93.5Very high88.9Confident85 Ų8555.4 Ų55.446%0.45527%0.272SS..Hα-helixtrans-62.3-43.2176.1-70.4-12.2000111Q792 K793 V799 E800Q792-N796 PolarHBondContact NE2-OD1 2.96Å; Q792-N796 WeakPolarHBondContact O-CB 3.47Å; Q792-N796 PolarHBondContact O-N 2.95Å; Q792-N796 PolarHBondContact O-ND2 2.78Å; Q792-N796 PolarHBondContact O-OD1 2.95Å; K793-N796 PolarHBondContact O-N 2.94Å; N796-V799 PolarHBondContact O-N 3.03Å; N796-E800 WeakPolarHBondContact O-CB 3.16Å; N796-E800 WeakPolarHBondContact O-CG 3.43Å; N796-E800 PolarHBondContact O-N 2.79Å
797E91Very high87.7Confident59 Ų5955.2 Ų55.228%0.27627%0.273SS..Hα-helixtrans-62-43.8174.7-71.3-173.1-151.800111.7K793 T794 L795 V799 E800 L801 M899 R903K793-E797 WeakPolarHBondContact CE-OE1 3.32Å; K793-E797 PolarHBondContact O-N 3.38Å; T794-E797 PolarHBondContact O-N 3.2Å; L795-E797 VanDerWaalsContact C-N 3.35Å; E797-V799 VanDerWaalsContact C-N 3.34Å; E797-V799 PolarHBondContact O-N 3.11Å; E797-E800 PolarHBondContact O-N 2.92Å; E797-L801 VanDerWaalsContact O-CB 3.24Å; E797-L801 WeakPolarHBondContact O-CB 3.42Å; E797-L801 WeakPolarHBondContact O-CG 3.36Å; E797-L801 PolarHBondContact O-N 2.73Å; E797-M899 HydrophobicContact CB-CE 4.28Å; E797-M899 HydrophobicContact CB-SD 3.65Å; E797-R903 IonicContact OE2-NH2 3.41Å; E797-R903 PolarHBondContact OE2-NH2 3.08Å
798M90.5Very high86.2Confident0 Ų057.6 Ų57.60%029%0.288CS..Hα-helixtrans-59.3-43.4175.7-70.7165.569.100112.1T794 L795 S802 F839 I844 L847 Y895 M899T794-M798 HydrophobicContact CG2-SD 4.13Å; T794-M798 VanDerWaalsContact O-CG 3.26Å; T794-M798 WeakPolarHBondContact O-CG 3.27Å; T794-M798 PolarHBondContact O-N 3.36Å; L795-M798 PolarHBondContact O-N 2.9Å; M798-S802 VanDerWaalsContact O-CB 3.31Å; M798-S802 WeakPolarHBondContact O-CB 3.32Å; M798-S802 PolarHBondContact O-N 3.33Å; M798-S802 PolarHBondContact O-OG 3.17Å; M798-F839 HydrophobicContact CB-CD2 3.79Å; M798-F839 HydrophobicContact CB-CE2 4.13Å; M798-F839 HydrophobicContact CB-CG 4.12Å; M798-F839 HydrophobicContact CE-CB 4.28Å; M798-F839 HydrophobicContact CE-CD1 3.6Å; M798-F839 HydrophobicContact CE-CE1 4.14Å; M798-F839 HydrophobicContact CE-CG 3.9Å; M798-F839 HydrophobicContact CG-CD1 4.16Å; M798-F839 HydrophobicContact CG-CD2 3.89Å; M798-F839 HydrophobicContact CG-CE1 4.08Å; M798-F839 HydrophobicContact CG-CE2 3.82Å; M798-F839 HydrophobicContact CG-CG 4.08Å; M798-F839 HydrophobicContact CG-CZ 3.96Å; M798-I844 HydrophobicContact CE-CG1 4.28Å; M798-L847 HydrophobicContact SD-CD2 3.54Å; M798-L847 VanDerWaalsContact SD-CD2 3.54Å; M798-Y895 HydrophobicContact CE-CD1 3.47Å; M798-Y895 VanDerWaalsContact CE-CD1 3.47Å; M798-Y895 HydrophobicContact CE-CD2 4.2Å; M798-Y895 HydrophobicContact CE-CE1 3.82Å; M798-Y895 HydrophobicContact CE-CG 3.69Å; M798-Y895 HydrophobicContact SD-CD1 4.08Å; M798-Y895 HydrophobicContact SD-CD2 4.16Å; M798-Y895 HydrophobicContact SD-CG 3.7Å; M798-M899 HydrophobicContact CG-CE 4.45Å; M798-M899 HydrophobicContact CG-SD 4.1Å
799V89.2Confident84.6Confident34 Ų3459.5 Ų59.521%0.20630%0.298CS..Hα-helixtrans-67.7-46.2178.4170.10000111.2L795 N796 E797 S802 K803 I844L795-V799 WeakPolarHBondContact O-CG2 3.37Å; L795-V799 PolarHBondContact O-N 3.2Å; N796-V799 PolarHBondContact O-N 3.03Å; E797-V799 VanDerWaalsContact C-N 3.34Å; E797-V799 PolarHBondContact O-N 3.11Å; V799-S802 PolarHBondContact O-N 3.08Å; V799-K803 HydrophobicContact CG1-CD 4.33Å; V799-K803 WeakPolarHBondContact O-CG 3.27Å; V799-K803 PolarHBondContact O-N 3.26Å; V799-I844 HydrophobicContact CG2-CD1 4.41Å; V799-I844 HydrophobicContact CG2-CG2 3.85Å
800E86.7Confident83Confident107 Ų10763.3 Ų63.350%0.531%0.306SS..Hα-helixtrans-65.1-41.8178.7-73.2-55.7126.100111.7N796 E797 S802 K803 L804N796-E800 WeakPolarHBondContact O-CB 3.16Å; N796-E800 WeakPolarHBondContact O-CG 3.43Å; N796-E800 PolarHBondContact O-N 2.79Å; E797-E800 PolarHBondContact O-N 2.92Å; E800-S802 VanDerWaalsContact C-N 3.32Å; E800-S802 PolarHBondContact O-N 3.22Å; E800-K803 PolarHBondContact O-N 3.25Å; E800-K803 IonicContact OE1-NZ 3.27Å; E800-K803 PolarHBondContact OE1-NZ 2.98Å; E800-L804 VanDerWaalsContact O-CB 3.29Å; E800-L804 WeakPolarHBondContact O-CB 3.5Å; E800-L804 PolarHBondContact O-N 3.1Å
801L83.2Confident81.3Confident21 Ų2164.5 Ų64.511%0.1132%0.317CS..Hα-helixtrans-62.2-40.7173.7-73.4-179.2000111.6E797 L804 F805 I838 F839 M899 W902E797-L801 VanDerWaalsContact O-CB 3.24Å; E797-L801 WeakPolarHBondContact O-CB 3.42Å; E797-L801 WeakPolarHBondContact O-CG 3.36Å; E797-L801 PolarHBondContact O-N 2.73Å; L801-L804 PolarHBondContact O-N 3.17Å; L801-F805 WeakPolarHBondContact O-CB 3.45Å; L801-F805 PolarHBondContact O-N 3.29Å; L801-I838 HydrophobicContact CB-CD1 3.79Å; L801-F839 HydrophobicContact CD1-CE2 4.38Å; L801-M899 HydrophobicContact CD1-CB 4.37Å; L801-M899 HydrophobicContact CD1-CG 3.82Å; L801-M899 HydrophobicContact CD1-SD 3.78Å; L801-W902 HydrophobicContact CD2-CE3 4.46Å; L801-W902 HydrophobicContact CD2-CH2 4.5Å; L801-W902 HydrophobicContact CD2-CZ3 3.73Å
802S81.1Confident79Confident12 Ų1267.7 Ų67.78%0.08433%0.334CS..Hα-helixtrans-67.9-36.1177-57.60000112.5M798 V799 E800 S806M798-S802 VanDerWaalsContact O-CB 3.31Å; M798-S802 WeakPolarHBondContact O-CB 3.32Å; M798-S802 PolarHBondContact O-N 3.33Å; M798-S802 PolarHBondContact O-OG 3.17Å; V799-S802 PolarHBondContact O-N 3.08Å; E800-S802 VanDerWaalsContact C-N 3.32Å; E800-S802 PolarHBondContact O-N 3.22Å; S802-S806 WeakPolarHBondContact O-CB 3.41Å; S802-S806 PolarHBondContact O-N 2.91Å; S802-S806 PolarHBondContact O-OG 2.91Å
803K80.9Confident76.8Confident101 Ų10168.4 Ų68.444%0.43935%0.345SS..Hα-helixtrans-68-48.7172.7-74.8176.7-169.51640111.9V799 E800 F805 S806 Q807V799-K803 HydrophobicContact CG1-CD 4.33Å; V799-K803 WeakPolarHBondContact O-CG 3.27Å; V799-K803 PolarHBondContact O-N 3.26Å; E800-K803 PolarHBondContact O-N 3.25Å; E800-K803 IonicContact OE1-NZ 3.27Å; E800-K803 PolarHBondContact OE1-NZ 2.98Å; K803-F805 VanDerWaalsContact C-N 3.25Å; K803-F805 PolarHBondContact O-N 3.41Å; K803-S806 CarbonylContact O-C 3.6Å; K803-S806 WeakPolarHBondContact O-CB 3.34Å; K803-S806 PolarHBondContact O-N 3.36Å; K803-S806 VanDerWaalsContact O-N 3.16Å; K803-Q807 WeakPolarHBondContact O-CG 3.3Å; K803-Q807 PolarHBondContact O-N 3.46Å
804L76Confident74.5Confident91 Ų9166.9 Ų66.948%0.47635%0.35SS..Hα-helixtrans-57.6-45.5178.2-177.265.8000109.4E800 L801 S806 Q807 T808E800-L804 VanDerWaalsContact O-CB 3.29Å; E800-L804 WeakPolarHBondContact O-CB 3.5Å; E800-L804 PolarHBondContact O-N 3.1Å; L801-L804 PolarHBondContact O-N 3.17Å; L804-S806 PolarHBondContact O-N 2.89Å; L804-Q807 WeakPolarHBondContact O-CB 3.13Å; L804-Q807 PolarHBondContact O-N 3.46Å; L804-Q807 VanDerWaalsContact O-N 3.16Å; L804-T808 PolarHBondContact O-N 2.79Å; L804-T808 PolarHBondContact O-OG1 2.96Å
805F71.8Confident72.3Confident13 Ų1374.7 Ų74.76%0.05739%0.386CS..Hα-helixtrans-60.6-45.6175.5-171.6-110.2000113L801 K803 Q807 T808 L809 W835 N837 I838 W902L801-F805 WeakPolarHBondContact O-CB 3.45Å; L801-F805 PolarHBondContact O-N 3.29Å; K803-F805 VanDerWaalsContact C-N 3.25Å; K803-F805 PolarHBondContact O-N 3.41Å; F805-Q807 VanDerWaalsContact C-N 3.27Å; F805-Q807 PolarHBondContact O-N 3.2Å; F805-T808 PolarHBondContact O-N 2.8Å; F805-L809 HydrophobicContact CD1-CD1 3.76Å; F805-L809 HydrophobicContact CD1-CG 4.48Å; F805-L809 HydrophobicContact CE1-CD1 3.36Å; F805-L809 HydrophobicContact CE1-CG 4.15Å; F805-L809 HydrophobicContact CZ-CD1 3.82Å; F805-L809 HydrophobicContact CZ-CD2 4.47Å; F805-L809 HydrophobicContact CZ-CG 4.17Å; F805-L809 WeakPolarHBondContact O-CB 3.15Å; F805-L809 WeakPolarHBondContact O-CG 3.47Å; F805-L809 PolarHBondContact O-N 2.86Å; F805-W835 WeakPolarHBondContact CE1-O 3.44Å; F805-W835 AromaticContact CE2-CE3 3.6Å; F805-W835 HydrophobicContact CE2-CE3 3.6Å; F805-W835 HydrophobicContact CE2-CZ3 4.18Å; F805-W835 HydrophobicContact CZ-CB 3.83Å; F805-W835 AromaticContact CZ-CE3 3.94Å; F805-W835 HydrophobicContact CZ-CE3 3.94Å; F805-W835 WeakPolarHBondContact CZ-O 3.13Å; F805-N837 WeakPolarHBondContact CD1-OD1 3.02Å; F805-I838 HydrophobicContact CB-CD1 4.03Å; F805-I838 HydrophobicContact CB-CG1 4.38Å; F805-I838 HydrophobicContact CD2-CG1 4.42Å; F805-I838 HydrophobicContact CG-CD1 4.33Å; F805-I838 HydrophobicContact CG-CG1 4.2Å; F805-W902 AromaticContact CD2-CZ2 3.77Å; F805-W902 HydrophobicContact CD2-CZ2 3.77Å; F805-W902 HydrophobicContact CE2-CZ2 4.32Å
806S70.2Confident70.1Confident47 Ų4782.2 Ų82.233%0.32942%0.421SS..Hα-helixtrans-62.3-33.1175-630000112.8S802 K803 L804 R810S802-S806 WeakPolarHBondContact O-CB 3.41Å; S802-S806 PolarHBondContact O-N 2.91Å; S802-S806 PolarHBondContact O-OG 2.91Å; K803-S806 CarbonylContact O-C 3.6Å; K803-S806 WeakPolarHBondContact O-CB 3.34Å; K803-S806 PolarHBondContact O-N 3.36Å; K803-S806 VanDerWaalsContact O-N 3.16Å; L804-S806 PolarHBondContact O-N 2.89Å; S806-R810 WeakPolarHBondContact O-CG 2.93Å
807Q70.3Confident68.1Low122 Ų12283.9 Ų83.957%0.5743%0.426SS*.Hα-helixtrans-74.3-43.3174.8-72.3174.3-200111.6K803 L804 F805 L809 R810 T811K803-Q807 WeakPolarHBondContact O-CG 3.3Å; K803-Q807 PolarHBondContact O-N 3.46Å; L804-Q807 WeakPolarHBondContact O-CB 3.13Å; L804-Q807 PolarHBondContact O-N 3.46Å; L804-Q807 VanDerWaalsContact O-N 3.16Å; F805-Q807 VanDerWaalsContact C-N 3.27Å; F805-Q807 PolarHBondContact O-N 3.2Å; Q807-L809 VanDerWaalsContact C-N 3.33Å; Q807-L809 PolarHBondContact O-N 2.78Å; Q807-R810 WeakPolarHBondContact O-CB 3.41Å; Q807-R810 PolarHBondContact O-N 2.87Å; Q807-R810 VanDerWaalsContact O-N 3.07Å; Q807-T811 PolarHBondContact O-N 3.01Å
808T65.4Low65.9Low68 Ų6888 Ų8842%0.41745%0.445SS..Hα-helixtrans-62.6-39.5176.3-53.10000111.4L804 F805 R810 T811 I812L804-T808 PolarHBondContact O-N 2.79Å; L804-T808 PolarHBondContact O-OG1 2.96Å; F805-T808 PolarHBondContact O-N 2.8Å; T808-R810 PolarHBondContact O-N 3.43Å; T808-T811 PolarHBondContact O-N 3.29Å; T808-T811 VanDerWaalsContact O-N 3.16Å; T808-T811 PolarHBondContact O-OG1 2.95Å; T808-I812 WeakPolarHBondContact O-CG1 3.36Å; T808-I812 PolarHBondContact O-N 2.84Å
809L63Low63.6Low55 Ų5595.3 Ų95.329%0.28849%0.485SS..Hα-helixtrans-62.5-26.5174-79.5171.1000113.3F805 Q807 W835F805-L809 HydrophobicContact CD1-CD1 3.76Å; F805-L809 HydrophobicContact CD1-CG 4.48Å; F805-L809 HydrophobicContact CE1-CD1 3.36Å; F805-L809 HydrophobicContact CE1-CG 4.15Å; F805-L809 HydrophobicContact CZ-CD1 3.82Å; F805-L809 HydrophobicContact CZ-CD2 4.47Å; F805-L809 HydrophobicContact CZ-CG 4.17Å; F805-L809 WeakPolarHBondContact O-CB 3.15Å; F805-L809 WeakPolarHBondContact O-CG 3.47Å; F805-L809 PolarHBondContact O-N 2.86Å; Q807-L809 VanDerWaalsContact C-N 3.33Å; Q807-L809 PolarHBondContact O-N 2.78Å; L809-W835 HydrophobicContact CD2-CB 4.45Å
810R60.7Low61.1Low218 Ų21898.8 Ų98.882%0.82352%0.517SS*.Hα-helixtrans-81.9-18176.6-69.9175.4-170.4-161.52.5113.7S806 Q807 T808S806-R810 WeakPolarHBondContact O-CG 2.93Å; Q807-R810 WeakPolarHBondContact O-CB 3.41Å; Q807-R810 PolarHBondContact O-N 2.87Å; Q807-R810 VanDerWaalsContact O-N 3.07Å; T808-R810 PolarHBondContact O-N 3.43Å
811T59.3Low58.8Low109 Ų10998.5 Ų98.567%0.66953%0.526SS*.Hα-helixtrans-96.9-4.7179.950.10000113.9Q807 T808 P813Q807-T811 PolarHBondContact O-N 3.01Å; T808-T811 PolarHBondContact O-N 3.29Å; T808-T811 VanDerWaalsContact O-N 3.16Å; T808-T811 PolarHBondContact O-OG1 2.95Å; T811-P813 WeakPolarHBondContact O-CD 3.42Å
812I48.6Very low56.6Low67 Ų67102.3 Ų102.334%0.34456%0.555SS.*SBendtrans-80.1117.6175.6-64.7165.5000109.3T808 Q817T808-I812 WeakPolarHBondContact O-CG1 3.36Å; T808-I812 PolarHBondContact O-N 2.84Å; I812-Q817 HydrophobicContact CG2-CG 4.4Å
813P48.1Very low54.4Low91 Ų91109 Ų10959%0.59159%0.59SS**  trans-59.8139.8177.9-21.432.7000112.2T811 E815 Q816T811-P813 WeakPolarHBondContact O-CD 3.42Å; P813-E815 PolarHBondContact O-N 2.68Å; P813-Q816 PolarHBondContact O-N 2.88Å
814S47.2Very low52.3Low94 Ų94110.1 Ų110.166%0.65761%0.61SS**THydrogen-bonded Turntrans-58.6-3.3-173.529.30000116.7
815E47Very low50.2Low169 Ų169111 Ų11179%0.7962%0.624SS**THydrogen-bonded Turntrans-89.9-12.9178.1-75.3179.815500114.3P813P813-E815 PolarHBondContact O-N 2.68Å
816Q49Very low48.5Very low164 Ų164119.1 Ų119.177%0.76666%0.662SS**SBendtrans-101.1-7.5177-73.7-175.1-14.600114.4P813P813-Q816 PolarHBondContact O-N 2.88Å
817Q50.3Low46.7Very low119 Ų119125.5 Ų125.556%0.55669%0.687SS**SBendtrans-87.8-6.6179-77.6176-7.600114.2I812I812-Q817 HydrophobicContact CG2-CG 4.4Å
818Q45.4Very low45Very low145 Ų145126.2 Ų126.268%0.67870%0.7SS**SBendtrans-104.7-9.8-171.2-74-176.2-11.800116.4S821Q818-S821 PolarHBondContact O-OG 2.91Å
819N41.5Very low43.5Very low155 Ų155128 Ų12883%0.82972%0.715SS**THydrogen-bonded Turntrans-102.226.3-168.7-83.1-14000117.3
820A37.8Very low42Very low107 Ų107135 Ų13588%0.88475%0.746SS**THydrogen-bonded Turntrans-115.718.2170.800000113.6
821S37.4Very low40.7Very low100 Ų100133.9 Ų133.970%0.69975%0.751SS**  trans-118.867.5-176.6550000111.8Q818Q818-S821 PolarHBondContact O-OG 2.91Å
822S37Very low39.6Very low101 Ų101131.9 Ų131.971%0.70674%0.741SS**  trans-168.2136.3158.742.10000111.1
823N36.2Very low39.1Very low154 Ų154132.5 Ų132.582%0.82475%0.751SS**SBendtrans9275.2172-52.1-20.4000117.3
824S35.6Very low39.1Very low124 Ų124134 Ų13487%0.86776%0.761SS**  167.5133.8108.6480000110.8
825S33.2Very low39.3Very low110 Ų110134 Ų13477%0.76975%0.746SS**  trans-82.8122.2-179.6470000111.1
826E36.1Very low39.7Very low183 Ų183133.1 Ų133.186%0.85574%0.74SS**  trans168116.5136.4-93.9167.8-179.900111.6
827Q31.3Very low40.2Very low181 Ų181128.9 Ų128.985%0.84672%0.723SS**  trans29.8102.4149.8-64.7175.9-13.900120.1
828T34.2Very low41.3Very low136 Ų136123.8 Ų123.883%0.83470%0.699SS**  171127.2117.240.20000111.3
829S34.2Very low43Very low107 Ų107117 Ų11775%0.74867%0.667SS**  trans42.7103.6161.158.10000120.8E831S829-E831 PolarHBondContact O-N 3.15Å; S829-E831 VanDerWaalsContact O-N 3.08Å
830E31.8Very low44.9Very low200 Ų200113 Ų11394%0.93565%0.646SS**  trans16.970.1149.4-63.2-175.3165.200119.4
831E33.4Very low47.1Very low196 Ų196115.5 Ų115.592%0.91664%0.64SS**  trans-105.1107.7158.4-79-172.9165.400110S829S829-E831 PolarHBondContact O-N 3.15Å; S829-E831 VanDerWaalsContact O-N 3.08Å
832S35.7Very low49.5Very low67 Ų67115.5 Ų115.547%0.46964%0.635SS.*  trans-128.7110.6178.872.20000110.3K836S832-K836 WeakPolarHBondContact OG-CE 3.38Å; S832-K836 PolarHBondContact OG-NZ 3.32Å
833S39.2Very low52Low79 Ų79111.9 Ų111.955%0.55261%0.607SS**  trans70.6122.1176.1-165.50000116.3W835 K836S833-W835 PolarHBondContact O-N 3.41Å; S833-W835 PolarHBondContact OG-N 2.96Å; S833-K836 PolarHBondContact O-N 2.8Å
834P47.1Very low54.6Low122 Ų122105.3 Ų105.379%0.79257%0.572SS**THydrogen-bonded Turntrans-67.21.8172.626.9-29.3000112.9
835W52.5Low57.2Low94 Ų94102.5 Ų102.536%0.35655%0.547SS..THydrogen-bonded Turntrans-116.828.5-173.9-57.9110.4000112.7F805 L809 S833 M909F805-W835 WeakPolarHBondContact CE1-O 3.44Å; F805-W835 AromaticContact CE2-CE3 3.6Å; F805-W835 HydrophobicContact CE2-CE3 3.6Å; F805-W835 HydrophobicContact CE2-CZ3 4.18Å; F805-W835 HydrophobicContact CZ-CB 3.83Å; F805-W835 AromaticContact CZ-CE3 3.94Å; F805-W835 HydrophobicContact CZ-CE3 3.94Å; F805-W835 WeakPolarHBondContact CZ-O 3.13Å; L809-W835 HydrophobicContact CD2-CB 4.45Å; S833-W835 PolarHBondContact O-N 3.41Å; S833-W835 PolarHBondContact OG-N 2.96Å; W835-M909 HydrophobicContact CH2-CE 3.57Å; W835-M909 HydrophobicContact CH2-SD 3.19Å; W835-M909 WeakPolarHBondContact CH2-SD 3.43Å; W835-M909 HydrophobicContact CZ2-CE 3.35Å; W835-M909 HydrophobicContact CZ2-SD 3.31Å; W835-M909 WeakPolarHBondContact CZ2-SD 3.34Å; W835-M909 HydrophobicContact CZ3-SD 4.43Å
836K54.4Low60.1Low151 Ų151100 Ų10066%0.65753%0.527SS*.SBendtrans-77.6127.5165.2-89179.9171.91750109.1S832 S833 I838S832-K836 WeakPolarHBondContact OG-CE 3.38Å; S832-K836 PolarHBondContact OG-NZ 3.32Å; S833-K836 PolarHBondContact O-N 2.8Å; K836-I838 PolarHBondContact O-N 3.43Å
837N59.7Low62.8Low76 Ų7691.3 Ų91.341%0.40649%0.486SS..  trans-13119.5-179.9-81.5-24.4000115.4F805 F839F805-N837 WeakPolarHBondContact CD1-OD1 3.02Å; N837-F839 WeakPolarHBondContact CB-O 3.21Å; N837-F839 PolarHBondContact O-N 2.91Å
838I72.7Confident65.8Low11 Ų1187.3 Ų87.36%0.05646%0.464CS..SBendtrans-43.5-42.6177.3-43.3164.8000111.8L801 F805 K836 K898 W902L801-I838 HydrophobicContact CB-CD1 3.79Å; F805-I838 HydrophobicContact CB-CD1 4.03Å; F805-I838 HydrophobicContact CB-CG1 4.38Å; F805-I838 HydrophobicContact CD2-CG1 4.42Å; F805-I838 HydrophobicContact CG-CD1 4.33Å; F805-I838 HydrophobicContact CG-CG1 4.2Å; K836-I838 PolarHBondContact O-N 3.43Å; I838-K898 VanDerWaalsContact O-CE 3.24Å; I838-K898 WeakPolarHBondContact O-CE 3.43Å; I838-K898 PolarHBondContact O-NZ 2.97Å; I838-W902 HydrophobicContact CD1-CD2 3.62Å; I838-W902 HydrophobicContact CD1-CE3 3.71Å; I838-W902 HydrophobicContact CD1-CG 4.45Å; I838-W902 HydrophobicContact CD1-CH2 3.18Å; I838-W902 HydrophobicContact CD1-CZ2 3.1Å; I838-W902 HydrophobicContact CD1-CZ3 3.53Å; I838-W902 HydrophobicContact CG1-CD2 3.82Å; I838-W902 HydrophobicContact CG1-CE3 4.42Å; I838-W902 HydrophobicContact CG1-CG 4.22Å; I838-W902 HydrophobicContact CG1-CH2 4.11Å; I838-W902 HydrophobicContact CG1-CZ2 3.49Å; I838-W902 VanDerWaalsContact CG1-CZ2 3.49Å; I838-W902 HydrophobicContact CG2-CB 4.03Å; I838-W902 HydrophobicContact CG2-CD2 3.95Å; I838-W902 HydrophobicContact CG2-CE3 4.49Å; I838-W902 HydrophobicContact CG2-CG 3.72Å
839F81.3Confident68.7Low2 Ų285.3 Ų85.31%0.00945%0.448CS..SBendtrans-127.2125.2171.3-55-74.3000108.2M798 L801 N837 E843 I844 Y895 K898 M899M798-F839 HydrophobicContact CB-CD2 3.79Å; M798-F839 HydrophobicContact CB-CE2 4.13Å; M798-F839 HydrophobicContact CB-CG 4.12Å; M798-F839 HydrophobicContact CE-CB 4.28Å; M798-F839 HydrophobicContact CE-CD1 3.6Å; M798-F839 HydrophobicContact CE-CE1 4.14Å; M798-F839 HydrophobicContact CE-CG 3.9Å; M798-F839 HydrophobicContact CG-CD1 4.16Å; M798-F839 HydrophobicContact CG-CD2 3.89Å; M798-F839 HydrophobicContact CG-CE1 4.08Å; M798-F839 HydrophobicContact CG-CE2 3.82Å; M798-F839 HydrophobicContact CG-CG 4.08Å; M798-F839 HydrophobicContact CG-CZ 3.96Å; L801-F839 HydrophobicContact CD1-CE2 4.38Å; N837-F839 WeakPolarHBondContact CB-O 3.21Å; N837-F839 PolarHBondContact O-N 2.91Å; F839-E843 VanDerWaalsContact CA-OE2 3.29Å; F839-E843 WeakPolarHBondContact CA-OE2 3.44Å; F839-I844 HydrophobicContact CB-CD1 4.18Å; F839-I844 HydrophobicContact CB-CG1 3.82Å; F839-Y895 HydrophobicContact CD1-CD1 4.08Å; F839-Y895 AromaticContact CE1-CD1 3.96Å; F839-Y895 HydrophobicContact CE1-CD1 3.96Å; F839-K898 HydrophobicContact CD1-CD 4.22Å; F839-K898 HydrophobicContact CE1-CB 4.13Å; F839-K898 HydrophobicContact CE1-CD 3.75Å; F839-K898 HydrophobicContact CE1-CG 4.03Å; F839-K898 HydrophobicContact CZ-CB 4.5Å; F839-K898 HydrophobicContact CZ-CG 4.47Å; F839-M899 HydrophobicContact CE1-CG 4.36Å; F839-M899 HydrophobicContact CE2-CG 3.61Å; F839-M899 HydrophobicContact CE2-SD 4.43Å; F839-M899 HydrophobicContact CZ-CB 4.3Å; F839-M899 HydrophobicContact CZ-CG 3.25Å; F839-M899 HydrophobicContact CZ-SD 4.42Å
840N82.1Confident71.5Confident73 Ų7382.7 Ų82.739%0.3942%0.423SS..  trans-76.3166.117065.837.7000110.1V842 E843 I844N840-V842 PolarHBondContact O-N 2.84Å; N840-V842 WeakPolarHBondContact OD1-CA 3.37Å; N840-V842 VanDerWaalsContact OD1-CB 3.3Å; N840-V842 WeakPolarHBondContact OD1-CB 3.47Å; N840-V842 PolarHBondContact OD1-N 3.18Å; N840-V842 VanDerWaalsContact OD1-N 3.08Å; N840-E843 PolarHBondContact N-OE2 3.05Å; N840-E843 PolarHBondContact O-N 2.95Å; N840-E843 WeakPolarHBondContact OD1-CG 3.43Å; N840-E843 PolarHBondContact OD1-N 2.9Å; N840-I844 PolarHBondContact O-N 2.85Å
841E83.8Confident74.5Confident159 Ų15974.1 Ų74.174%0.74338%0.383SS*.Hα-helixtrans-58.6-34.2179.2-72.1-172155.800112E843 I844 D845E841-E843 PolarHBondContact O-N 3.01Å; E841-I844 PolarHBondContact O-N 2.85Å; E841-D845 VanDerWaalsContact O-CB 3.27Å; E841-D845 WeakPolarHBondContact O-CB 3.11Å; E841-D845 VanDerWaalsContact O-CG 3.26Å; E841-D845 PolarHBondContact O-N 3.45Å
842V88.4Confident77.4Confident100 Ų10066.2 Ų66.261%0.60636%0.355SS*.Hα-helixtrans-62.4-41.5178.2-177.40000111.9N840 D845 T846N840-V842 PolarHBondContact O-N 2.84Å; N840-V842 WeakPolarHBondContact OD1-CA 3.37Å; N840-V842 VanDerWaalsContact OD1-CB 3.3Å; N840-V842 WeakPolarHBondContact OD1-CB 3.47Å; N840-V842 PolarHBondContact OD1-N 3.18Å; N840-V842 VanDerWaalsContact OD1-N 3.08Å; V842-D845 PolarHBondContact O-N 3.11Å; V842-T846 VanDerWaalsContact O-CB 3.32Å; V842-T846 WeakPolarHBondContact O-CB 3.47Å; V842-T846 PolarHBondContact O-N 2.78Å; V842-T846 PolarHBondContact O-OG1 3.42Å
843E89.4Confident80.3Confident24 Ų2468.6 Ų68.611%0.11236%0.358CS..Hα-helixtrans-68.7-43.6178.5-74.3176.6125.100111.6F839 N840 E841 D845 T846 L847 Y895 K898F839-E843 VanDerWaalsContact CA-OE2 3.29Å; F839-E843 WeakPolarHBondContact CA-OE2 3.44Å; N840-E843 PolarHBondContact N-OE2 3.05Å; N840-E843 PolarHBondContact O-N 2.95Å; N840-E843 WeakPolarHBondContact OD1-CG 3.43Å; N840-E843 PolarHBondContact OD1-N 2.9Å; E841-E843 PolarHBondContact O-N 3.01Å; E843-D845 VanDerWaalsContact C-N 3.32Å; E843-T846 PolarHBondContact O-N 3.38Å; E843-L847 PolarHBondContact O-N 3.16Å; E843-L847 VanDerWaalsContact O-N 3.13Å; E843-Y895 HydrophobicContact CB-CE1 3.82Å; E843-Y895 HydrophobicContact CG-CE1 4.1Å; E843-Y895 PolarHBondContact O-OH 2.85Å; E843-K898 IonicContact OE1-NZ 3.52Å; E843-K898 PolarHBondContact OE1-NZ 2.99Å; E843-K898 IonicContact OE2-NZ 3.5Å; E843-K898 PolarHBondContact OE2-NZ 3.43Å
844I90Very high83Confident17 Ų1765.2 Ų65.29%0.08734%0.335CS..Hα-helixtrans-62.1-44.2175-62.4177.9000109.7L795 M798 V799 F839 N840 E841 T846 R848L795-I844 HydrophobicContact CD1-CG2 3.75Å; L795-I844 WeakPolarHBondContact CD1-O 3.28Å; M798-I844 HydrophobicContact CE-CG1 4.28Å; V799-I844 HydrophobicContact CG2-CD1 4.41Å; V799-I844 HydrophobicContact CG2-CG2 3.85Å; F839-I844 HydrophobicContact CB-CD1 4.18Å; F839-I844 HydrophobicContact CB-CG1 3.82Å; N840-I844 PolarHBondContact O-N 2.85Å; E841-I844 PolarHBondContact O-N 2.85Å; I844-T846 VanDerWaalsContact C-N 3.33Å; I844-R848 WeakPolarHBondContact O-CB 3.49Å; I844-R848 PolarHBondContact O-N 2.84Å
845D91.8Very high85.3Confident65 Ų6566 Ų6635%0.34833%0.326SS..Hα-helixtrans-65.9-34.6175.8-75.9-24.2000112E841 V842 E843 R848 N849E841-D845 VanDerWaalsContact O-CB 3.27Å; E841-D845 WeakPolarHBondContact O-CB 3.11Å; E841-D845 VanDerWaalsContact O-CG 3.26Å; E841-D845 PolarHBondContact O-N 3.45Å; V842-D845 PolarHBondContact O-N 3.11Å; E843-D845 VanDerWaalsContact C-N 3.32Å; D845-R848 PolarHBondContact O-N 3.12Å; D845-R848 IonicContact OD1-CZ 2.69Å; D845-R848 IonicContact OD1-NH1 3.53Å; D845-R848 PolarHBondContact OD1-NH1 3.09Å; D845-N849 WeakPolarHBondContact O-CB 3.19Å; D845-N849 PolarHBondContact O-N 2.81Å; D845-N849 PolarHBondContact O-ND2 2.88Å; D845-N849 VanDerWaalsContact O-ND2 3.17Å
846T92.4Very high87.3Confident57 Ų5765.2 Ų65.235%0.3533%0.331SS..Hα-helixtrans-63.2-52.5178.4-620000110.9V842 E843 I844 R848 N849 K850V842-T846 VanDerWaalsContact O-CB 3.32Å; V842-T846 WeakPolarHBondContact O-CB 3.47Å; V842-T846 PolarHBondContact O-N 2.78Å; V842-T846 PolarHBondContact O-OG1 3.42Å; E843-T846 PolarHBondContact O-N 3.38Å; I844-T846 VanDerWaalsContact C-N 3.33Å; T846-R848 PolarHBondContact O-N 3.47Å; T846-N849 PolarHBondContact O-N 3.29Å; T846-K850 WeakPolarHBondContact O-CB 3.2Å; T846-K850 PolarHBondContact O-N 3.06Å
847L93.2Very high89.3Confident0 Ų060.9 Ų60.90%031%0.311CS..Hα-helixtrans-65.2-40.5177.1-176.761.5000111.4A791 T794 L795 M798 E843 K850 M851 L888 E891 Y895A791-L847 HydrophobicContact CB-CD1 4.43Å; T794-L847 HydrophobicContact CG2-CD2 3.88Å; L795-L847 HydrophobicContact CB-CD2 4.06Å; L795-L847 HydrophobicContact CD1-CB 4.41Å; L795-L847 HydrophobicContact CD1-CD2 4.43Å; M798-L847 HydrophobicContact SD-CD2 3.54Å; M798-L847 VanDerWaalsContact SD-CD2 3.54Å; E843-L847 PolarHBondContact O-N 3.16Å; E843-L847 VanDerWaalsContact O-N 3.13Å; L847-K850 PolarHBondContact O-N 2.87Å; L847-M851 WeakPolarHBondContact O-CB 3.3Å; L847-M851 PolarHBondContact O-N 3.37Å; L847-L888 HydrophobicContact CD1-CD1 4.24Å; L847-E891 HydrophobicContact CD1-CB 4.02Å; L847-Y895 HydrophobicContact CB-CD2 4.03Å; L847-Y895 HydrophobicContact CB-CE2 3.77Å; L847-Y895 HydrophobicContact CD1-CD2 4.24Å; L847-Y895 HydrophobicContact CD1-CE2 4.4Å; L847-Y895 HydrophobicContact CD2-CD2 3.98Å; L847-Y895 HydrophobicContact CG-CD2 4.3Å; L847-Y895 HydrophobicContact CG-CE2 4.45Å
848R95.1Very high91Very high98 Ų9857.5 Ų57.537%0.3729%0.293SS..Hα-helixtrans-59.7-46.7177.3-178.6-177.4-67.9127.2-0.1111.7L795 I844 D845 T846 G852L795-R848 HydrophobicContact CD1-CB 4.23Å; L795-R848 HydrophobicContact CD2-CB 3.93Å; L795-R848 HydrophobicContact CD2-CG 4.19Å; I844-R848 WeakPolarHBondContact O-CB 3.49Å; I844-R848 PolarHBondContact O-N 2.84Å; D845-R848 PolarHBondContact O-N 3.12Å; D845-R848 IonicContact OD1-CZ 2.69Å; D845-R848 IonicContact OD1-NH1 3.53Å; D845-R848 PolarHBondContact OD1-NH1 3.09Å; T846-R848 PolarHBondContact O-N 3.47Å; R848-G852 PolarHBondContact O-N 2.85Å
849N94.4Very high92Very high94 Ų9459.9 Ų59.950%0.50331%0.314SS..Hα-helixtrans-67.4-47.3179-69.2-18.5000110.5D845 T846 M851 G852 E853D845-N849 WeakPolarHBondContact O-CB 3.19Å; D845-N849 PolarHBondContact O-N 2.81Å; D845-N849 PolarHBondContact O-ND2 2.88Å; D845-N849 VanDerWaalsContact O-ND2 3.17Å; T846-N849 PolarHBondContact O-N 3.29Å; N849-M851 VanDerWaalsContact C-N 3.33Å; N849-M851 PolarHBondContact O-N 2.79Å; N849-G852 CarbonylContact O-C 3.51Å; N849-G852 WeakPolarHBondContact O-CA 3.39Å; N849-G852 PolarHBondContact O-N 2.86Å; N849-G852 VanDerWaalsContact O-N 3.09Å; N849-E853 WeakPolarHBondContact O-CB 3.44Å; N849-E853 WeakPolarHBondContact O-CG 3.44Å; N849-E853 PolarHBondContact O-N 2.74Å
850K93.4Very high92.7Very high51 Ų5165 Ų6522%0.22234%0.337CS..Hα-helixtrans-62.9-38.9179-166.870.8178176.10112.5T846 L847 S854 E887 L888 E891T846-K850 WeakPolarHBondContact O-CB 3.2Å; T846-K850 PolarHBondContact O-N 3.06Å; L847-K850 PolarHBondContact O-N 2.87Å; K850-S854 VanDerWaalsContact O-CB 3.26Å; K850-S854 WeakPolarHBondContact O-CB 3.27Å; K850-S854 PolarHBondContact O-N 2.66Å; K850-S854 PolarHBondContact O-OG 2.96Å; K850-E887 IonicContact NZ-OE2 2.7Å; K850-E887 PolarHBondContact NZ-OE2 3.14Å; K850-L888 HydrophobicContact CG-CD1 4.18Å; K850-E891 HydrophobicContact CG-CG 4.22Å
851M95.2Very high93.2Very high20 Ų2061.7 Ų61.710%0.09932%0.321CS..Hα-helixtrans-64.8-43.2172.7-179.8-172.467.900111.1I788 A791 Q792 L795 L847 N849 S854 K855 L888I788-M851 HydrophobicContact CG2-CG 4.2Å; A791-M851 HydrophobicContact CB-CB 4.29Å; A791-M851 HydrophobicContact CB-CG 4.02Å; A791-M851 HydrophobicContact CB-SD 4.07Å; Q792-M851 HydrophobicContact CB-SD 3.83Å; Q792-M851 VanDerWaalsContact OE1-CE 3.31Å; L795-M851 HydrophobicContact CD2-CE 3.76Å; L847-M851 WeakPolarHBondContact O-CB 3.3Å; L847-M851 PolarHBondContact O-N 3.37Å; N849-M851 VanDerWaalsContact C-N 3.33Å; N849-M851 PolarHBondContact O-N 2.79Å; M851-S854 PolarHBondContact O-N 2.88Å; M851-K855 VanDerWaalsContact O-CB 3.29Å; M851-K855 WeakPolarHBondContact O-CB 3.49Å; M851-K855 PolarHBondContact O-N 3.44Å; M851-L888 HydrophobicContact CB-CD1 4.4Å
852G94.6Very high93.6Very high31 Ų3155.6 Ų55.632%0.3229%0.294SS..Hα-helixtrans-59.9-50.3174.800000112.4R848 N849 S854 K855 T856R848-G852 PolarHBondContact O-N 2.85Å; N849-G852 CarbonylContact O-C 3.51Å; N849-G852 WeakPolarHBondContact O-CA 3.39Å; N849-G852 PolarHBondContact O-N 2.86Å; N849-G852 VanDerWaalsContact O-N 3.09Å; G852-S854 VanDerWaalsContact C-N 3.34Å; G852-S854 PolarHBondContact O-N 3.47Å; G852-K855 PolarHBondContact O-N 3Å; G852-T856 WeakPolarHBondContact O-CB 3.44Å; G852-T856 PolarHBondContact O-N 3.32Å; G852-T856 PolarHBondContact O-OG1 3.2Å; G852-T856 VanDerWaalsContact O-OG1 3.05Å
853E94.9Very high93.8Very high116 Ų11655.9 Ų55.954%0.54229%0.289SS..Hα-helixtrans-57-45.9173.9-73173.1-171.100111.6N849 K855 T856 W857N849-E853 WeakPolarHBondContact O-CB 3.44Å; N849-E853 WeakPolarHBondContact O-CG 3.44Å; N849-E853 PolarHBondContact O-N 2.74Å; E853-K855 VanDerWaalsContact C-N 3.34Å; E853-K855 PolarHBondContact O-N 2.83Å; E853-T856 PolarHBondContact O-N 2.83Å; E853-W857 WeakPolarHBondContact O-CB 3.27Å; E853-W857 PolarHBondContact O-N 3.13Å
854S96Very high93.9Very high9 Ų958 Ų586%0.06330%0.304CS..Hα-helixtrans-64.2-40.2179.2-60.70000111.7K850 M851 G852 L858K850-S854 VanDerWaalsContact O-CB 3.26Å; K850-S854 WeakPolarHBondContact O-CB 3.27Å; K850-S854 PolarHBondContact O-N 2.66Å; K850-S854 PolarHBondContact O-OG 2.96Å; M851-S854 PolarHBondContact O-N 2.88Å; G852-S854 VanDerWaalsContact C-N 3.34Å; G852-S854 PolarHBondContact O-N 3.47Å; S854-L858 WeakPolarHBondContact O-CB 3.42Å; S854-L858 PolarHBondContact O-N 2.88Å
855K95.8Very high94Very high139 Ų13957.3 Ų57.360%0.60430%0.3SS*.Hα-helixtrans-68.3-44.5177.5-172.8177-178.2177.80111.8I788 M851 G852 E853 A859I788-K855 HydrophobicContact CD1-CB 4.35Å; M851-K855 VanDerWaalsContact O-CB 3.29Å; M851-K855 WeakPolarHBondContact O-CB 3.49Å; M851-K855 PolarHBondContact O-N 3.44Å; G852-K855 PolarHBondContact O-N 3Å; E853-K855 VanDerWaalsContact C-N 3.34Å; E853-K855 PolarHBondContact O-N 2.83Å; K855-A859 WeakPolarHBondContact O-CB 3.48Å; K855-A859 PolarHBondContact O-N 3.3Å
856T95.5Very high93.8Very high76 Ų7660 Ų6047%0.46631%0.314SS..Hα-helixtrans-63.5-49.7175.6-60.10000110.5G852 E853 L858 A859 E860G852-T856 WeakPolarHBondContact O-CB 3.44Å; G852-T856 PolarHBondContact O-N 3.32Å; G852-T856 PolarHBondContact O-OG1 3.2Å; G852-T856 VanDerWaalsContact O-OG1 3.05Å; E853-T856 PolarHBondContact O-N 2.83Å; T856-L858 VanDerWaalsContact C-N 3.35Å; T856-L858 PolarHBondContact O-N 2.98Å; T856-A859 PolarHBondContact O-N 3Å; T856-E860 HydrophobicContact CG2-CG 4.33Å; T856-E860 WeakPolarHBondContact CG2-OE1 3.48Å; T856-E860 WeakPolarHBondContact O-CB 3.49Å; T856-E860 WeakPolarHBondContact O-CG 3.18Å; T856-E860 PolarHBondContact O-N 3.36Å
857W96Very high93.7Very high61 Ų6164.4 Ų64.423%0.23133%0.328CS..Hα-helixtrans-60.4-43.5178.5-178.185.5000111.8F784 E853 A859 S861 I876 T880 I881 K884F784-W857 HydrophobicContact CD1-CZ3 4.33Å; F784-W857 AromaticContact CE1-CE3 3.79Å; F784-W857 HydrophobicContact CE1-CE3 3.79Å; F784-W857 AromaticContact CE1-CZ3 3.75Å; F784-W857 HydrophobicContact CE1-CZ3 3.75Å; E853-W857 WeakPolarHBondContact O-CB 3.27Å; E853-W857 PolarHBondContact O-N 3.13Å; W857-A859 VanDerWaalsContact C-N 3.34Å; W857-S861 WeakPolarHBondContact CZ2-OG 3.44Å; W857-S861 WeakPolarHBondContact O-CB 3.35Å; W857-S861 PolarHBondContact O-N 2.86Å; W857-S861 PolarHBondContact O-OG 2.96Å; W857-I876 HydrophobicContact CH2-CG2 4.13Å; W857-I876 HydrophobicContact CZ2-CG2 4.24Å; W857-T880 HydrophobicContact CH2-CG2 4.25Å; W857-T880 HydrophobicContact CZ2-CG2 4Å; W857-I881 HydrophobicContact CH2-CG1 4.21Å; W857-K884 HydrophobicContact CD2-CD 4.26Å; W857-K884 HydrophobicContact CD2-CG 4.01Å; W857-K884 HydrophobicContact CE3-CB 3.98Å; W857-K884 HydrophobicContact CE3-CG 3.9Å; W857-K884 HydrophobicContact CH2-CB 4.11Å; W857-K884 HydrophobicContact CH2-CG 3.69Å; W857-K884 HydrophobicContact CZ2-CG 3.78Å; W857-K884 HydrophobicContact CZ3-CB 3.75Å; W857-K884 HydrophobicContact CZ3-CG 3.75Å
858L95.6Very high93.5Very high5 Ų565.6 Ų65.63%0.02634%0.337CS..Hα-helixtrans-64.6-40.1177.7-177.158.3000111.2I781 F784 N785 I788 S854 T856 T862I781-L858 HydrophobicContact CG1-CD1 4.36Å; I781-L858 HydrophobicContact CG2-CD1 4.39Å; F784-L858 HydrophobicContact CB-CD2 4Å; F784-L858 HydrophobicContact CD1-CB 4.33Å; F784-L858 HydrophobicContact CD1-CD1 3.72Å; F784-L858 HydrophobicContact CD1-CD2 3.93Å; F784-L858 HydrophobicContact CD1-CG 4.21Å; F784-L858 HydrophobicContact CE1-CB 4.29Å; F784-L858 HydrophobicContact CE1-CD1 4.35Å; F784-L858 HydrophobicContact CG-CD1 4.44Å; F784-L858 HydrophobicContact CG-CD2 3.93Å; N785-L858 WeakPolarHBondContact OD1-CD2 3.48Å; I788-L858 HydrophobicContact CD1-CB 4.46Å; I788-L858 HydrophobicContact CD1-CD2 3.7Å; S854-L858 WeakPolarHBondContact O-CB 3.42Å; S854-L858 PolarHBondContact O-N 2.88Å; T856-L858 VanDerWaalsContact C-N 3.35Å; T856-L858 PolarHBondContact O-N 2.98Å; L858-T862 VanDerWaalsContact O-CB 3.24Å; L858-T862 WeakPolarHBondContact O-CB 3.27Å; L858-T862 PolarHBondContact O-N 2.71Å; L858-T862 PolarHBondContact O-OG1 2.99Å
859A94.2Very high93.2Very high60 Ų6062.9 Ų62.950%0.49633%0.332SS..Hα-helixtrans-64.9-49.6176.600000111.9K855 T856 W857 S861 T862 E863K855-A859 WeakPolarHBondContact O-CB 3.48Å; K855-A859 PolarHBondContact O-N 3.3Å; T856-A859 PolarHBondContact O-N 3Å; W857-A859 VanDerWaalsContact C-N 3.34Å; A859-S861 PolarHBondContact O-N 3.44Å; A859-T862 PolarHBondContact O-N 3.03Å; A859-E863 PolarHBondContact O-N 3.25Å
860E94.4Very high93Very high109 Ų10961.4 Ų61.451%0.50933%0.327SS..Hα-helixtrans-61.5-43.4176.9-70.7174174.800111.5T856 E863 V864T856-E860 HydrophobicContact CG2-CG 4.33Å; T856-E860 WeakPolarHBondContact CG2-OE1 3.48Å; T856-E860 WeakPolarHBondContact O-CB 3.49Å; T856-E860 WeakPolarHBondContact O-CG 3.18Å; T856-E860 PolarHBondContact O-N 3.36Å; E860-E863 PolarHBondContact O-N 3.38Å; E860-V864 WeakPolarHBondContact O-CG2 3.18Å; E860-V864 PolarHBondContact O-N 3.33Å
861S93.6Very high92.8Very high5 Ų564 Ų644%0.03534%0.336CS..Hα-helixtrans-65-41.4177.9-63.30000111.8W857 A859 E863 V864 L865 I876W857-S861 WeakPolarHBondContact CZ2-OG 3.44Å; W857-S861 WeakPolarHBondContact O-CB 3.35Å; W857-S861 PolarHBondContact O-N 2.86Å; W857-S861 PolarHBondContact O-OG 2.96Å; A859-S861 PolarHBondContact O-N 3.44Å; S861-E863 VanDerWaalsContact C-N 3.35Å; S861-V864 PolarHBondContact O-N 2.99Å; S861-L865 VanDerWaalsContact O-CB 3.28Å; S861-L865 WeakPolarHBondContact O-CB 3.37Å; S861-L865 WeakPolarHBondContact O-CD1 3.5Å; S861-L865 WeakPolarHBondContact O-CG 3.13Å; S861-L865 PolarHBondContact O-N 2.99Å; S861-I876 WeakPolarHBondContact OG-CD1 3.3Å
862T92.1Very high92.5Very high31 Ų3168 Ų6819%0.1935%0.354CS..Hα-helixtrans-64.9-41.7176.2-56.20000110.3I781 L858 A859 V864 L865 D866I781-T862 HydrophobicContact CD1-CG2 4.23Å; L858-T862 VanDerWaalsContact O-CB 3.24Å; L858-T862 WeakPolarHBondContact O-CB 3.27Å; L858-T862 PolarHBondContact O-N 2.71Å; L858-T862 PolarHBondContact O-OG1 2.99Å; A859-T862 PolarHBondContact O-N 3.03Å; T862-V864 PolarHBondContact O-N 2.98Å; T862-L865 PolarHBondContact O-N 3.01Å; T862-D866 WeakPolarHBondContact O-CB 3.36Å; T862-D866 PolarHBondContact O-N 3.15Å
863E92.4Very high92.2Very high106 Ų10670.4 Ų70.450%0.49536%0.359SS..Hα-helixtrans-62.6-42.4175.9-173.7-179.6174.900112.5A859 E860 S861 K867A859-E863 PolarHBondContact O-N 3.25Å; E860-E863 PolarHBondContact O-N 3.38Å; S861-E863 VanDerWaalsContact C-N 3.35Å; E863-K867 HydrophobicContact CG-CD 4.43Å; E863-K867 WeakPolarHBondContact O-CG 3.24Å; E863-K867 PolarHBondContact O-N 3.35Å; E863-K867 WeakPolarHBondContact OE1-CE 3.49Å; E863-K867 IonicContact OE1-NZ 2.89Å; E863-K867 PolarHBondContact OE1-NZ 3.47Å
864V92.3Very high91.9Very high69 Ų6965.6 Ų65.642%0.41834%0.338SS..Hα-helixtrans-63.4-43.6174.5170.70000110.6E860 S861 T862 K867 S868 P875E860-V864 WeakPolarHBondContact O-CG2 3.18Å; E860-V864 PolarHBondContact O-N 3.33Å; S861-V864 PolarHBondContact O-N 2.99Å; T862-V864 PolarHBondContact O-N 2.98Å; V864-K867 PolarHBondContact O-N 3.41Å; V864-S868 PolarHBondContact O-N 2.83Å; V864-S868 VanDerWaalsContact O-N 3.13Å; V864-S868 PolarHBondContact O-OG 3.42Å; V864-P875 HydrophobicContact CG1-CB 4.11Å; V864-P875 HydrophobicContact CG1-CG 3.48Å; V864-P875 VanDerWaalsContact CG1-CG 3.48Å
865L91.6Very high91.7Very high2 Ų268.8 Ų68.81%0.0136%0.359CS..Hα-helixtrans-67.4-35.3179.9-76.3169.8000113.3R777 S861 T862 K867 S868 P874 P875 I876 I881R777-L865 HydrophobicContact CG-CD1 4.33Å; R777-L865 PolarHBondContact NH1-O 3.2Å; S861-L865 VanDerWaalsContact O-CB 3.28Å; S861-L865 WeakPolarHBondContact O-CB 3.37Å; S861-L865 WeakPolarHBondContact O-CD1 3.5Å; S861-L865 WeakPolarHBondContact O-CG 3.13Å; S861-L865 PolarHBondContact O-N 2.99Å; T862-L865 PolarHBondContact O-N 3.01Å; L865-K867 VanDerWaalsContact C-N 3.33Å; L865-S868 PolarHBondContact O-N 2.89Å; L865-P874 HydrophobicContact CD2-CB 4.18Å; L865-P875 HydrophobicContact CD2-CG 4.45Å; L865-I876 HydrophobicContact CD1-CB 4.26Å; L865-I876 HydrophobicContact CD2-CB 4.07Å; L865-I876 WeakPolarHBondContact CD2-O 3Å; L865-I876 HydrophobicContact CG-CB 4.25Å; L865-I881 HydrophobicContact CD1-CD1 4.04Å
866D88.2Confident91.5Very high122 Ų12263.4 Ų63.465%0.65234%0.337SS*.Hα-helixtrans-73-26.7178-72.6-14.5000112.1T862T862-D866 WeakPolarHBondContact O-CB 3.36Å; T862-D866 PolarHBondContact O-N 3.15Å
867K89.8Confident91.4Very high148 Ų14863.4 Ų63.464%0.64333%0.333SS*.Hα-helixtrans-85.6-15.4173.8-69.1174.9-171.5171.10113.7E863 V864 L865E863-K867 HydrophobicContact CG-CD 4.43Å; E863-K867 WeakPolarHBondContact O-CG 3.24Å; E863-K867 PolarHBondContact O-N 3.35Å; E863-K867 WeakPolarHBondContact OE1-CE 3.49Å; E863-K867 IonicContact OE1-NZ 2.89Å; E863-K867 PolarHBondContact OE1-NZ 3.47Å; V864-K867 PolarHBondContact O-N 3.41Å; L865-K867 VanDerWaalsContact C-N 3.33Å
868S88Confident91.3Very high25 Ų2561.1 Ų61.118%0.17533%0.326CS..SBendtrans-76.8128.4-176.3-61.80000110.9V864 L865 P875V864-S868 PolarHBondContact O-N 2.83Å; V864-S868 VanDerWaalsContact O-N 3.13Å; V864-S868 PolarHBondContact O-OG 3.42Å; L865-S868 PolarHBondContact O-N 2.89Å; S868-P875 WeakPolarHBondContact OG-CD 3.38Å; S868-P875 WeakPolarHBondContact OG-CG 3.34Å
869P89.9Confident91.2Very high41 Ų4164 Ų6427%0.26635%0.346SS..  trans-58.8141.2174.6-20.431.3000111.7Y871 E872P869-Y871 HydrophobicContact CB-CD1 3.96Å; P869-Y871 HydrophobicContact CB-CD2 4.01Å; P869-Y871 HydrophobicContact CB-CE1 3.55Å; P869-Y871 HydrophobicContact CB-CE2 3.58Å; P869-Y871 HydrophobicContact CB-CG 4.18Å; P869-Y871 HydrophobicContact CG-CE2 4.18Å; P869-Y871 PolarHBondContact O-N 2.91Å; P869-E872 HydrophobicContact CB-CG 4.25Å; P869-E872 HydrophobicContact CG-CG 4.34Å; P869-E872 PolarHBondContact O-N 3.37Å; P869-E872 VanDerWaalsContact O-N 3.15Å
870T89.8Confident91.2Very high64 Ų6463.9 Ų63.939%0.39334%0.34SS..THydrogen-bonded Turntrans-69.5-15.1-178.7510000113.6K720 Y721 I774K720-T870 WeakPolarHBondContact O-CB 3.34Å; K720-T870 PolarHBondContact O-OG1 3.49Å; Y721-T870 WeakPolarHBondContact CA-O 3.27Å; I774-T870 HydrophobicContact CD1-CG2 3.86Å
871Y89.3Confident91.3Very high105 Ų10558.7 Ų58.741%0.41232%0.316SS..THydrogen-bonded Turntrans-951.3176.457-102.7000113.9Y721 R770 P869Y721-Y871 WeakPolarHBondContact O-CA 3.35Å; R770-Y871 PolarHBondContact NE-O 2.76Å; R770-Y871 PolarHBondContact NH1-O 3.15Å; P869-Y871 HydrophobicContact CB-CD1 3.96Å; P869-Y871 HydrophobicContact CB-CD2 4.01Å; P869-Y871 HydrophobicContact CB-CE1 3.55Å; P869-Y871 HydrophobicContact CB-CE2 3.58Å; P869-Y871 HydrophobicContact CB-CG 4.18Å; P869-Y871 HydrophobicContact CG-CE2 4.18Å; P869-Y871 PolarHBondContact O-N 2.91Å
872E89.4Confident91.4Very high104 Ų10463.4 Ų63.449%0.48634%0.337SS..SBendtrans-103.7159.1170.8-70.1-179.3-177.700109.9R770 P869R770-E872 WeakPolarHBondContact CD-O 3.46Å; P869-E872 HydrophobicContact CB-CG 4.25Å; P869-E872 HydrophobicContact CG-CG 4.34Å; P869-E872 PolarHBondContact O-N 3.37Å; P869-E872 VanDerWaalsContact O-N 3.15Å
873D88.3Confident91.5Very high81 Ų8165.2 Ų65.243%0.43335%0.351SS..PPolyproline II helixtrans-64.1129.1172.2-74.1-19.7000109.2R769 R770R769-D873 IonicContact CZ-OD1 3.25Å; R769-D873 IonicContact CZ-OD2 2.84Å; R769-D873 IonicContact NE-OD1 3.35Å; R769-D873 IonicContact NH2-OD1 3.21Å; R769-D873 PolarHBondContact NH2-OD1 3.29Å; R769-D873 IonicContact NH2-OD2 3.76Å; R769-D873 PolarHBondContact NH2-OD2 2.98Å; R770-D873 IonicContact CZ-OD1 2.78Å; R770-D873 IonicContact NE-OD1 3.76Å; R770-D873 PolarHBondContact NE-OD1 3.2Å; R770-D873 VanDerWaalsContact NE-OD1 3.13Å; R770-D873 IonicContact NH2-OD1 2.68Å
874P88.1Confident91.7Very high15 Ų1563.2 Ų63.210%0.09734%0.341CS..PPolyproline II helixtrans-63.8132.5-17523.7-31000109.5E773 L865 I876 L877E773-P874 HydrophobicContact CB-CG 3.95Å; E773-P874 HydrophobicContact CG-CG 4.06Å; L865-P874 HydrophobicContact CD2-CB 4.18Å; P874-I876 PolarHBondContact O-N 2.92Å; P874-I876 VanDerWaalsContact O-N 3.07Å; P874-L877 HydrophobicContact CG-CD2 4.06Å
875P90.8Very high91.9Very high76 Ų7661.2 Ų61.249%0.49433%0.327SS..SBendtrans-64.4-18.2-177.926.3-36.1000112.6V864 L865 S868V864-P875 HydrophobicContact CG1-CB 4.11Å; V864-P875 HydrophobicContact CG1-CG 3.48Å; V864-P875 VanDerWaalsContact CG1-CG 3.48Å; L865-P875 HydrophobicContact CD2-CG 4.45Å; S868-P875 WeakPolarHBondContact OG-CD 3.38Å; S868-P875 WeakPolarHBondContact OG-CG 3.34Å
876I91.5Very high92.1Very high27 Ų2763.4 Ų63.414%0.13834%0.342CS..SBendtrans-132.7119.5177.6-53.7175.1000107.9W857 S861 L865 P874 T880 I881W857-I876 HydrophobicContact CH2-CG2 4.13Å; W857-I876 HydrophobicContact CZ2-CG2 4.24Å; S861-I876 WeakPolarHBondContact OG-CD1 3.3Å; L865-I876 HydrophobicContact CD1-CB 4.26Å; L865-I876 HydrophobicContact CD2-CB 4.07Å; L865-I876 WeakPolarHBondContact CD2-O 3Å; L865-I876 HydrophobicContact CG-CB 4.25Å; P874-I876 PolarHBondContact O-N 2.92Å; P874-I876 VanDerWaalsContact O-N 3.07Å; I876-T880 HydrophobicContact CG2-CG2 4.09Å; I876-I881 HydrophobicContact CG2-CG1 4.11Å
877L94Very high92.4Very high75 Ų7560.3 Ų60.339%0.39332%0.324SS..  trans-79.2153.4178.8-57-179.3000110.9P874 S879 T880 I881P874-L877 HydrophobicContact CG-CD2 4.06Å; L877-S879 WeakPolarHBondContact CB-OG 3.28Å; L877-S879 PolarHBondContact O-N 2.72Å; L877-T880 WeakPolarHBondContact O-CA 3.44Å; L877-T880 VanDerWaalsContact O-CB 3.29Å; L877-T880 WeakPolarHBondContact O-CB 3.27Å; L877-T880 PolarHBondContact O-N 3.04Å; L877-I881 PolarHBondContact O-N 3.06Å
878V93.6Very high92.7Very high14 Ų1453.2 Ų53.29%0.08529%0.293CS..Hα-helixtrans-53.5-38.8171.9167.10000111.5E773 H776 R777 A780 T880 I881 Q882E773-V878 WeakPolarHBondContact O-CG2 3.28Å; E773-V878 WeakPolarHBondContact OE2-CB 3.24Å; E773-V878 VanDerWaalsContact OE2-CG2 3.32Å; E773-V878 WeakPolarHBondContact OE2-CG2 3.41Å; E773-V878 PolarHBondContact OE2-N 2.81Å; H776-V878 HydrophobicContact CB-CG1 4.36Å; H776-V878 HydrophobicContact CB-CG2 4.06Å; R777-V878 HydrophobicContact CB-CG2 4.38Å; A780-V878 HydrophobicContact CB-CG1 3.94Å; V878-T880 PolarHBondContact O-N 3.38Å; V878-I881 WeakPolarHBondContact O-CB 3.37Å; V878-I881 PolarHBondContact O-N 3.2Å; V878-Q882 HydrophobicContact CG1-CG 4.35Å; V878-Q882 WeakPolarHBondContact O-CG 3.31Å; V878-Q882 PolarHBondContact O-N 2.82Å
879S94.1Very high93Very high65 Ų6553.9 Ų53.946%0.45530%0.298SS..Hα-helixtrans-60.1-32.1175.759.30000113.2L877 S883L877-S879 WeakPolarHBondContact CB-OG 3.28Å; L877-S879 PolarHBondContact O-N 2.72Å; S879-S883 WeakPolarHBondContact O-CB 3.34Å; S879-S883 PolarHBondContact O-N 3.35Å
880T94.7Very high93.2Very high57 Ų5760.1 Ų60.135%0.3532%0.316SS..Hα-helixtrans-72-42177-53.90000110.8W857 I876 L877 V878 S883 K884W857-T880 HydrophobicContact CH2-CG2 4.25Å; W857-T880 HydrophobicContact CZ2-CG2 4Å; I876-T880 HydrophobicContact CG2-CG2 4.09Å; L877-T880 WeakPolarHBondContact O-CA 3.44Å; L877-T880 VanDerWaalsContact O-CB 3.29Å; L877-T880 WeakPolarHBondContact O-CB 3.27Å; L877-T880 PolarHBondContact O-N 3.04Å; V878-T880 PolarHBondContact O-N 3.38Å; T880-S883 PolarHBondContact O-N 3.49Å; T880-K884 PolarHBondContact O-N 3.44Å
881I94.9Very high93.4Very high1 Ų159.8 Ų59.81%0.00531%0.31CS..Hα-helixtrans-60-48.2174.6-58.5176.5000110.2A780 I781 F784 W857 L865 I876 L877 V878 S883 K884 E885A780-I881 HydrophobicContact CB-CB 4.36Å; A780-I881 HydrophobicContact CB-CG2 4.02Å; I781-I881 HydrophobicContact CG1-CD1 4.07Å; F784-I881 HydrophobicContact CB-CG2 4.35Å; F784-I881 HydrophobicContact CD1-CG2 3.91Å; W857-I881 HydrophobicContact CH2-CG1 4.21Å; L865-I881 HydrophobicContact CD1-CD1 4.04Å; I876-I881 HydrophobicContact CG2-CG1 4.11Å; L877-I881 PolarHBondContact O-N 3.06Å; V878-I881 WeakPolarHBondContact O-CB 3.37Å; V878-I881 PolarHBondContact O-N 3.2Å; I881-S883 VanDerWaalsContact C-N 3.32Å; I881-S883 PolarHBondContact O-N 2.77Å; I881-K884 PolarHBondContact O-N 2.68Å; I881-E885 PolarHBondContact O-N 3.14Å
882Q95.5Very high93.6Very high104 Ų10455 Ų5549%0.48629%0.291SS..Hα-helixtrans-63-37.5178.3-70.8173.9-28.800112.5V878 E885 S886V878-Q882 HydrophobicContact CG1-CG 4.35Å; V878-Q882 WeakPolarHBondContact O-CG 3.31Å; V878-Q882 PolarHBondContact O-N 2.82Å; Q882-E885 PolarHBondContact O-N 3.45Å; Q882-S886 WeakPolarHBondContact O-CB 3.44Å; Q882-S886 PolarHBondContact O-N 2.92Å
883S95.9Very high93.7Very high69 Ų6954.3 Ų54.348%0.48329%0.291SS..Hα-helixtrans-62.3-44.4174.4-173.20000111.4S879 T880 I881 S886 E887S879-S883 WeakPolarHBondContact O-CB 3.34Å; S879-S883 PolarHBondContact O-N 3.35Å; T880-S883 PolarHBondContact O-N 3.49Å; I881-S883 VanDerWaalsContact C-N 3.32Å; I881-S883 PolarHBondContact O-N 2.77Å; S883-S886 WeakPolarHBondContact O-CB 3.36Å; S883-S886 PolarHBondContact O-N 3.36Å; S883-E887 PolarHBondContact O-N 2.99Å; S883-E887 VanDerWaalsContact O-N 3.11Å
884K95.3Very high94Very high64 Ų6456.8 Ų56.828%0.27830%0.295SS..Hα-helixtrans-66.7-39.5177.7-73.8-74170.5-149.90112.6F784 W857 T880 I881 S886 E887 L888F784-K884 HydrophobicContact CE1-CB 3.63Å; F784-K884 HydrophobicContact CZ-CB 3.86Å; W857-K884 HydrophobicContact CD2-CD 4.26Å; W857-K884 HydrophobicContact CD2-CG 4.01Å; W857-K884 HydrophobicContact CE3-CB 3.98Å; W857-K884 HydrophobicContact CE3-CG 3.9Å; W857-K884 HydrophobicContact CH2-CB 4.11Å; W857-K884 HydrophobicContact CH2-CG 3.69Å; W857-K884 HydrophobicContact CZ2-CG 3.78Å; W857-K884 HydrophobicContact CZ3-CB 3.75Å; W857-K884 HydrophobicContact CZ3-CG 3.75Å; T880-K884 PolarHBondContact O-N 3.44Å; I881-K884 PolarHBondContact O-N 2.68Å; K884-S886 VanDerWaalsContact C-N 3.32Å; K884-S886 PolarHBondContact O-N 2.76Å; K884-E887 IonicContact NZ-OE1 2.62Å; K884-E887 PolarHBondContact NZ-OE1 3.26Å; K884-E887 IonicContact NZ-OE2 3.83Å; K884-E887 PolarHBondContact NZ-OE2 3.29Å; K884-E887 WeakPolarHBondContact O-CB 3.4Å; K884-E887 PolarHBondContact O-N 3.24Å; K884-L888 PolarHBondContact O-N 3.26Å
885E96.3Very high94.2Very high27 Ų2756.5 Ų56.513%0.12629%0.292CS..Hα-helixtrans-58.4-44.6171-179.3-178.3-16000111.6S783 F784 T787 I881 Q882 E887 L888 S889S783-E885 WeakPolarHBondContact CB-OE1 3.33Å; S783-E885 VanDerWaalsContact O-OE1 3.14Å; S783-E885 PolarHBondContact OG-OE1 3.49Å; S783-E885 PolarHBondContact OG-OE2 3.16Å; F784-E885 HydrophobicContact CB-CB 4.18Å; F784-E885 HydrophobicContact CB-CG 4.31Å; F784-E885 HydrophobicContact CD1-CB 4.28Å; F784-E885 HydrophobicContact CD2-CB 3.72Å; F784-E885 HydrophobicContact CD2-CG 3.95Å; F784-E885 HydrophobicContact CE2-CB 4.16Å; F784-E885 HydrophobicContact CG-CB 3.81Å; F784-E885 HydrophobicContact CG-CG 4.26Å; F784-E885 PolarHBondContact N-OE1 2.84Å; T787-E885 HydrophobicContact CG2-CG 4.07Å; T787-E885 PolarHBondContact OG1-OE1 3.2Å; I881-E885 PolarHBondContact O-N 3.14Å; Q882-E885 PolarHBondContact O-N 3.45Å; E885-E887 VanDerWaalsContact C-N 3.32Å; E885-E887 PolarHBondContact O-N 3.44Å; E885-L888 PolarHBondContact O-N 3.23Å; E885-S889 WeakPolarHBondContact O-CB 3.39Å; E885-S889 PolarHBondContact O-N 2.91Å
886S95.7Very high94.2Very high48 Ų4854.9 Ų54.934%0.33628%0.281SS..Hα-helixtrans-61.9-37.8178.3-169.30000112.3Q882 S883 K884 S889 R890Q882-S886 WeakPolarHBondContact O-CB 3.44Å; Q882-S886 PolarHBondContact O-N 2.92Å; S883-S886 WeakPolarHBondContact O-CB 3.36Å; S883-S886 PolarHBondContact O-N 3.36Å; K884-S886 VanDerWaalsContact C-N 3.32Å; K884-S886 PolarHBondContact O-N 2.76Å; S886-S889 PolarHBondContact O-N 3.16Å; S886-R890 VanDerWaalsContact O-CG 3.24Å; S886-R890 WeakPolarHBondContact O-CG 3.34Å; S886-R890 PolarHBondContact O-N 3.3Å
887E94.8Very high94.1Very high56 Ų5657.6 Ų57.626%0.26230%0.299SS..Hα-helixtrans-58.2-47.9174.6-69.4177.1-14600111.7K850 S883 K884 E885 R890K850-E887 IonicContact NZ-OE2 2.7Å; K850-E887 PolarHBondContact NZ-OE2 3.14Å; S883-E887 PolarHBondContact O-N 2.99Å; S883-E887 VanDerWaalsContact O-N 3.11Å; K884-E887 IonicContact NZ-OE1 2.62Å; K884-E887 PolarHBondContact NZ-OE1 3.26Å; K884-E887 IonicContact NZ-OE2 3.83Å; K884-E887 PolarHBondContact NZ-OE2 3.29Å; K884-E887 WeakPolarHBondContact O-CB 3.4Å; K884-E887 PolarHBondContact O-N 3.24Å; E885-E887 VanDerWaalsContact C-N 3.32Å; E885-E887 PolarHBondContact O-N 3.44Å; E887-R890 PolarHBondContact O-N 3.08Å
888L95.7Very high93.8Very high0 Ų056.9 Ų56.90%029%0.292CS..Hα-helixtrans-68.8-41.2178.3-178.360.4000111.8F784 T787 I788 A791 L847 K850 M851 K884 E885 R890 E891 I892F784-L888 HydrophobicContact CE2-CB 4.38Å; F784-L888 HydrophobicContact CE2-CD2 4.15Å; T787-L888 HydrophobicContact CG2-CB 4.39Å; T787-L888 HydrophobicContact CG2-CD2 4.19Å; T787-L888 HydrophobicContact CG2-CG 4.25Å; I788-L888 HydrophobicContact CB-CD2 4.47Å; I788-L888 HydrophobicContact CG1-CD2 3.74Å; A791-L888 HydrophobicContact CB-CD1 4Å; A791-L888 HydrophobicContact CB-CD2 4.01Å; A791-L888 HydrophobicContact CB-CG 4.18Å; L847-L888 HydrophobicContact CD1-CD1 4.24Å; K850-L888 HydrophobicContact CG-CD1 4.18Å; M851-L888 HydrophobicContact CB-CD1 4.4Å; K884-L888 PolarHBondContact O-N 3.26Å; E885-L888 PolarHBondContact O-N 3.23Å; L888-R890 VanDerWaalsContact C-N 3.26Å; L888-R890 PolarHBondContact O-N 3.11Å; L888-E891 WeakPolarHBondContact O-CB 3.45Å; L888-E891 PolarHBondContact O-N 3.43Å; L888-E891 VanDerWaalsContact O-N 3.13Å; L888-I892 HydrophobicContact CG-CD1 4.22Å; L888-I892 WeakPolarHBondContact O-CG1 3.42Å; L888-I892 PolarHBondContact O-N 3.33Å
889S95.1Very high93.5Very high39 Ų3956.3 Ų56.327%0.27329%0.289SS..Hα-helixtrans-59-36.2177.9-1730000112.4E885 S886 I892 N893E885-S889 WeakPolarHBondContact O-CB 3.39Å; E885-S889 PolarHBondContact O-N 2.91Å; S886-S889 PolarHBondContact O-N 3.16Å; S889-I892 PolarHBondContact O-N 3.21Å; S889-N893 WeakPolarHBondContact O-CB 3.25Å; S889-N893 VanDerWaalsContact O-CG 3.3Å; S889-N893 PolarHBondContact O-N 3.48Å; S889-N893 PolarHBondContact O-ND2 3.49Å; S889-N893 VanDerWaalsContact O-ND2 3.08Å
890R94.7Very high93.1Very high171 Ų17157.3 Ų57.365%0.64529%0.289SS*.Hα-helixtrans-60.9-44.2174.4-73.3168.5-167.3-166.12.7112.2S886 E887 L888 N893 Y894S886-R890 VanDerWaalsContact O-CG 3.24Å; S886-R890 WeakPolarHBondContact O-CG 3.34Å; S886-R890 PolarHBondContact O-N 3.3Å; E887-R890 PolarHBondContact O-N 3.08Å; L888-R890 VanDerWaalsContact C-N 3.26Å; L888-R890 PolarHBondContact O-N 3.11Å; R890-N893 PolarHBondContact O-N 3.39Å; R890-Y894 PolarHBondContact O-N 2.95Å
891E93.1Very high92.7Very high58 Ų5860.2 Ų60.227%0.27130%0.302SS..Hα-helixtrans-64.1-46.4176.2-66-60.114400111.4L847 K850 L888 N893 Y894 Y895L847-E891 HydrophobicContact CD1-CB 4.02Å; K850-E891 HydrophobicContact CG-CG 4.22Å; L888-E891 WeakPolarHBondContact O-CB 3.45Å; L888-E891 PolarHBondContact O-N 3.43Å; L888-E891 VanDerWaalsContact O-N 3.13Å; E891-N893 VanDerWaalsContact C-N 3.29Å; E891-N893 PolarHBondContact O-N 3.35Å; E891-Y894 WeakPolarHBondContact O-CB 3.24Å; E891-Y894 PolarHBondContact O-N 3.4Å; E891-Y894 VanDerWaalsContact O-N 3.17Å; E891-Y895 HydrophobicContact CB-CE2 4.37Å; E891-Y895 WeakPolarHBondContact O-CD2 3.35Å; E891-Y895 PolarHBondContact O-N 3.26Å; E891-Y895 VanDerWaalsContact O-N 3.08Å
892I93.6Very high91.9Very high3 Ų362.3 Ų62.32%0.01531%0.31CS..Hα-helixtrans-54.6-47.9176.2-64.8170.9000110.7T787 L790 A791 L888 S889 Y894 Y895 T896T787-I892 HydrophobicContact CG2-CD1 3.79Å; T787-I892 VanDerWaalsContact O-CD1 3.29Å; T787-I892 WeakPolarHBondContact O-CD1 3.29Å; L790-I892 HydrophobicContact CB-CD1 4.25Å; L790-I892 HydrophobicContact CD2-CD1 4.28Å; L790-I892 HydrophobicContact CD2-CG2 3.95Å; L790-I892 HydrophobicContact CG-CD1 4.21Å; L790-I892 HydrophobicContact CG-CG2 3.97Å; A791-I892 HydrophobicContact CB-CD1 3.76Å; A791-I892 HydrophobicContact CB-CG1 3.87Å; L888-I892 HydrophobicContact CG-CD1 4.22Å; L888-I892 WeakPolarHBondContact O-CG1 3.42Å; L888-I892 PolarHBondContact O-N 3.33Å; S889-I892 PolarHBondContact O-N 3.21Å; I892-Y894 PolarHBondContact O-N 3.49Å; I892-Y895 PolarHBondContact O-N 3.02Å; I892-T896 VanDerWaalsContact O-CB 3.25Å; I892-T896 WeakPolarHBondContact O-CB 3.18Å; I892-T896 PolarHBondContact O-N 3.33Å; I892-T896 PolarHBondContact O-OG1 3.41Å
893N92.8Very high91.3Very high91 Ų9163 Ų6349%0.48731%0.308SS..Hα-helixtrans-62.6-42.8180-76.2-36.1000111.8S889 R890 E891 T896 T897S889-N893 WeakPolarHBondContact O-CB 3.25Å; S889-N893 VanDerWaalsContact O-CG 3.3Å; S889-N893 PolarHBondContact O-N 3.48Å; S889-N893 PolarHBondContact O-ND2 3.49Å; S889-N893 VanDerWaalsContact O-ND2 3.08Å; R890-N893 PolarHBondContact O-N 3.39Å; E891-N893 VanDerWaalsContact C-N 3.29Å; E891-N893 PolarHBondContact O-N 3.35Å; N893-T896 PolarHBondContact O-N 3.12Å; N893-T897 WeakPolarHBondContact O-CB 3.44Å; N893-T897 PolarHBondContact O-N 3.43Å; N893-T897 PolarHBondContact O-OG1 3.43Å
894Y92.8Very high90.5Very high132 Ų13263.6 Ų63.652%0.51831%0.312SS..Hα-helixtrans-56.5-53.5176.6176.1-98.5000111.6R890 E891 I892 T896 T897 K898R890-Y894 PolarHBondContact O-N 2.95Å; E891-Y894 WeakPolarHBondContact O-CB 3.24Å; E891-Y894 PolarHBondContact O-N 3.4Å; E891-Y894 VanDerWaalsContact O-N 3.17Å; I892-Y894 PolarHBondContact O-N 3.49Å; Y894-T896 PolarHBondContact O-N 2.97Å; Y894-T897 PolarHBondContact O-N 3.26Å; Y894-K898 PolarHBondContact O-N 2.85Å
895Y92.5Very high89.6Confident9 Ų964.3 Ų64.34%0.03532%0.316CS..Hα-helixtrans-70.4-33.4-178.1-65.2-61.4000113.1M798 F839 E843 L847 E891 I892 K898 M899M798-Y895 HydrophobicContact CE-CD1 3.47Å; M798-Y895 VanDerWaalsContact CE-CD1 3.47Å; M798-Y895 HydrophobicContact CE-CD2 4.2Å; M798-Y895 HydrophobicContact CE-CE1 3.82Å; M798-Y895 HydrophobicContact CE-CG 3.69Å; M798-Y895 HydrophobicContact SD-CD1 4.08Å; M798-Y895 HydrophobicContact SD-CD2 4.16Å; M798-Y895 HydrophobicContact SD-CG 3.7Å; F839-Y895 HydrophobicContact CD1-CD1 4.08Å; F839-Y895 AromaticContact CE1-CD1 3.96Å; F839-Y895 HydrophobicContact CE1-CD1 3.96Å; E843-Y895 HydrophobicContact CB-CE1 3.82Å; E843-Y895 HydrophobicContact CG-CE1 4.1Å; E843-Y895 PolarHBondContact O-OH 2.85Å; L847-Y895 HydrophobicContact CB-CD2 4.03Å; L847-Y895 HydrophobicContact CB-CE2 3.77Å; L847-Y895 HydrophobicContact CD1-CD2 4.24Å; L847-Y895 HydrophobicContact CD1-CE2 4.4Å; L847-Y895 HydrophobicContact CD2-CD2 3.98Å; L847-Y895 HydrophobicContact CG-CD2 4.3Å; L847-Y895 HydrophobicContact CG-CE2 4.45Å; E891-Y895 HydrophobicContact CB-CE2 4.37Å; E891-Y895 WeakPolarHBondContact O-CD2 3.35Å; E891-Y895 PolarHBondContact O-N 3.26Å; E891-Y895 VanDerWaalsContact O-N 3.08Å; I892-Y895 PolarHBondContact O-N 3.02Å; Y895-K898 PolarHBondContact O-N 3.28Å; Y895-M899 WeakPolarHBondContact O-CG 3.41Å; Y895-M899 PolarHBondContact O-N 3.43Å
896T90.7Very high88.5Confident43 Ų4365.1 Ų65.126%0.26432%0.321SS..Hα-helixtrans-66.2-42.6175.6-56.80000111.2I892 N893 Y894 M899 N900I892-T896 VanDerWaalsContact O-CB 3.25Å; I892-T896 WeakPolarHBondContact O-CB 3.18Å; I892-T896 PolarHBondContact O-N 3.33Å; I892-T896 PolarHBondContact O-OG1 3.41Å; N893-T896 PolarHBondContact O-N 3.12Å; Y894-T896 PolarHBondContact O-N 2.97Å; T896-M899 PolarHBondContact O-N 3.49Å; T896-N900 WeakPolarHBondContact O-CB 3.33Å; T896-N900 VanDerWaalsContact O-CG 3.27Å; T896-N900 PolarHBondContact O-N 2.95Å; T896-N900 PolarHBondContact O-ND2 3.31Å
897T89.4Confident87.6Confident83 Ų8365.7 Ų65.751%0.50933%0.329SS..Hα-helixtrans-61.4-43.6172.4-66.60000111.1N893 Y894 N900 L901N893-T897 WeakPolarHBondContact O-CB 3.44Å; N893-T897 PolarHBondContact O-N 3.43Å; N893-T897 PolarHBondContact O-OG1 3.43Å; Y894-T897 PolarHBondContact O-N 3.26Å; T897-N900 PolarHBondContact O-N 3.39Å; T897-L901 HydrophobicContact CG2-CD1 4.08Å; T897-L901 WeakPolarHBondContact O-CG 3.17Å; T897-L901 PolarHBondContact O-N 2.8Å
898K89Confident86.8Confident60 Ų6068.4 Ų68.426%0.26134%0.337SS..Hα-helixtrans-61.5-44.1176.1-166176.2-177.2-161.90112.3I838 F839 E843 Y894 Y895 N900 L901 W902I838-K898 VanDerWaalsContact O-CE 3.24Å; I838-K898 WeakPolarHBondContact O-CE 3.43Å; I838-K898 PolarHBondContact O-NZ 2.97Å; F839-K898 HydrophobicContact CD1-CD 4.22Å; F839-K898 HydrophobicContact CE1-CB 4.13Å; F839-K898 HydrophobicContact CE1-CD 3.75Å; F839-K898 HydrophobicContact CE1-CG 4.03Å; F839-K898 HydrophobicContact CZ-CB 4.5Å; F839-K898 HydrophobicContact CZ-CG 4.47Å; E843-K898 IonicContact OE1-NZ 3.52Å; E843-K898 PolarHBondContact OE1-NZ 2.99Å; E843-K898 IonicContact OE2-NZ 3.5Å; E843-K898 PolarHBondContact OE2-NZ 3.43Å; Y894-K898 PolarHBondContact O-N 2.85Å; Y895-K898 PolarHBondContact O-N 3.28Å; K898-N900 PolarHBondContact O-N 2.72Å; K898-L901 PolarHBondContact O-N 3.34Å; K898-W902 PolarHBondContact O-N 2.66Å; K898-W902 VanDerWaalsContact O-N 3.11Å
899M87.2Confident85.5Confident3 Ų371.1 Ų71.12%0.01535%0.35CS..Hα-helixtrans-59.6-44.9174.2-77-169.3-73.100112.1T794 E797 M798 L801 F839 Y895 T896 W902 R903T794-M899 HydrophobicContact CG2-CE 3.62Å; E797-M899 HydrophobicContact CB-CE 4.28Å; E797-M899 HydrophobicContact CB-SD 3.65Å; M798-M899 HydrophobicContact CG-CE 4.45Å; M798-M899 HydrophobicContact CG-SD 4.1Å; L801-M899 HydrophobicContact CD1-CB 4.37Å; L801-M899 HydrophobicContact CD1-CG 3.82Å; L801-M899 HydrophobicContact CD1-SD 3.78Å; F839-M899 HydrophobicContact CE1-CG 4.36Å; F839-M899 HydrophobicContact CE2-CG 3.61Å; F839-M899 HydrophobicContact CE2-SD 4.43Å; F839-M899 HydrophobicContact CZ-CB 4.3Å; F839-M899 HydrophobicContact CZ-CG 3.25Å; F839-M899 HydrophobicContact CZ-SD 4.42Å; Y895-M899 WeakPolarHBondContact O-CG 3.41Å; Y895-M899 PolarHBondContact O-N 3.43Å; T896-M899 PolarHBondContact O-N 3.49Å; M899-W902 PolarHBondContact O-N 2.92Å; M899-R903 WeakPolarHBondContact O-CG 3.22Å; M899-R903 PolarHBondContact O-N 3.16Å
900N86.3Confident84.2Confident85 Ų8575.7 Ų75.746%0.45537%0.365SS..Hα-helixtrans-65.5-43.5-178.9-73.4-26.9000112T896 T897 K898 W902 R903 S904T896-N900 WeakPolarHBondContact O-CB 3.33Å; T896-N900 VanDerWaalsContact O-CG 3.27Å; T896-N900 PolarHBondContact O-N 2.95Å; T896-N900 PolarHBondContact O-ND2 3.31Å; T897-N900 PolarHBondContact O-N 3.39Å; K898-N900 PolarHBondContact O-N 2.72Å; N900-W902 VanDerWaalsContact C-N 3.26Å; N900-W902 PolarHBondContact O-N 3.2Å; N900-R903 PolarHBondContact O-N 3.38Å; N900-S904 WeakPolarHBondContact O-CB 3.37Å; N900-S904 PolarHBondContact O-N 2.91Å; N900-S904 PolarHBondContact O-OG 2.75Å
901L84.5Confident83.1Confident118 Ų11869.5 Ų69.562%0.61835%0.351SS*.Hα-helixtrans-56.3-44173.6-74.3166.3000111.2T897 K898 S904 E905T897-L901 HydrophobicContact CG2-CD1 4.08Å; T897-L901 WeakPolarHBondContact O-CG 3.17Å; T897-L901 PolarHBondContact O-N 2.8Å; K898-L901 PolarHBondContact O-N 3.34Å; L901-S904 WeakPolarHBondContact O-CB 2.97Å; L901-S904 PolarHBondContact O-N 3.39Å; L901-E905 PolarHBondContact O-N 3.38Å
902W79Confident82Confident46 Ų4671.3 Ų71.317%0.17436%0.359CS..Hα-helixtrans-69.3-41.1178.9-172.979.3000113.4L801 F805 I838 K898 M899 N900 S904 E905 I906L801-W902 HydrophobicContact CD2-CE3 4.46Å; L801-W902 HydrophobicContact CD2-CH2 4.5Å; L801-W902 HydrophobicContact CD2-CZ3 3.73Å; F805-W902 AromaticContact CD2-CZ2 3.77Å; F805-W902 HydrophobicContact CD2-CZ2 3.77Å; F805-W902 HydrophobicContact CE2-CZ2 4.32Å; I838-W902 HydrophobicContact CD1-CD2 3.62Å; I838-W902 HydrophobicContact CD1-CE3 3.71Å; I838-W902 HydrophobicContact CD1-CG 4.45Å; I838-W902 HydrophobicContact CD1-CH2 3.18Å; I838-W902 HydrophobicContact CD1-CZ2 3.1Å; I838-W902 HydrophobicContact CD1-CZ3 3.53Å; I838-W902 HydrophobicContact CG1-CD2 3.82Å; I838-W902 HydrophobicContact CG1-CE3 4.42Å; I838-W902 HydrophobicContact CG1-CG 4.22Å; I838-W902 HydrophobicContact CG1-CH2 4.11Å; I838-W902 HydrophobicContact CG1-CZ2 3.49Å; I838-W902 VanDerWaalsContact CG1-CZ2 3.49Å; I838-W902 HydrophobicContact CG2-CB 4.03Å; I838-W902 HydrophobicContact CG2-CD2 3.95Å; I838-W902 HydrophobicContact CG2-CE3 4.49Å; I838-W902 HydrophobicContact CG2-CG 3.72Å; K898-W902 PolarHBondContact O-N 2.66Å; K898-W902 VanDerWaalsContact O-N 3.11Å; M899-W902 PolarHBondContact O-N 2.92Å; N900-W902 VanDerWaalsContact C-N 3.26Å; N900-W902 PolarHBondContact O-N 3.2Å; W902-S904 VanDerWaalsContact C-N 3.29Å; W902-S904 PolarHBondContact O-N 3.29Å; W902-E905 PolarHBondContact O-N 3.31Å; W902-E905 VanDerWaalsContact O-N 3.16Å; W902-I906 HydrophobicContact CD2-CD1 4.01Å; W902-I906 HydrophobicContact CD2-CG1 4.41Å; W902-I906 HydrophobicContact CE3-CD1 3.92Å; W902-I906 HydrophobicContact CH2-CD1 3.04Å; W902-I906 HydrophobicContact CH2-CG1 4.3Å; W902-I906 HydrophobicContact CZ2-CD1 3.1Å; W902-I906 HydrophobicContact CZ2-CG1 4.06Å; W902-I906 HydrophobicContact CZ3-CD1 3.44Å; W902-I906 VanDerWaalsContact CZ3-CD1 3.44Å; W902-I906 PolarHBondContact O-N 3.28Å
903R82.2Confident80.5Confident118 Ų11876.4 Ų76.445%0.44538%0.383SS..Hα-helixtrans-59.7-41.3173.1-73.2175.7-174.5-129.611.8111.3E797 M899 N900 E905 I906 A907E797-R903 IonicContact OE2-NH2 3.41Å; E797-R903 PolarHBondContact OE2-NH2 3.08Å; M899-R903 WeakPolarHBondContact O-CG 3.22Å; M899-R903 PolarHBondContact O-N 3.16Å; N900-R903 PolarHBondContact O-N 3.38Å; R903-E905 VanDerWaalsContact C-N 3.34Å; R903-I906 PolarHBondContact O-N 3.1Å; R903-A907 WeakPolarHBondContact O-CB 3.09Å; R903-A907 PolarHBondContact O-N 3.16Å
904S80.5Confident78.8Confident81 Ų8175.3 Ų75.357%0.56638%0.382SS*.Hα-helixtrans-62.7-41174.3-67.10000111.9N900 L901 W902 A907 R908N900-S904 WeakPolarHBondContact O-CB 3.37Å; N900-S904 PolarHBondContact O-N 2.91Å; N900-S904 PolarHBondContact O-OG 2.75Å; L901-S904 WeakPolarHBondContact O-CB 2.97Å; L901-S904 PolarHBondContact O-N 3.39Å; W902-S904 VanDerWaalsContact C-N 3.29Å; W902-S904 PolarHBondContact O-N 3.29Å; S904-A907 PolarHBondContact O-N 2.79Å; S904-R908 WeakPolarHBondContact O-CB 3.33Å; S904-R908 PolarHBondContact O-N 3.38Å
905E75.5Confident77Confident79 Ų7976.7 Ų76.737%0.36939%0.391SS..Hα-helixtrans-67.9-41178.5-173.359.7-171.800112.2L901 W902 R903 R908 M909L901-E905 PolarHBondContact O-N 3.38Å; W902-E905 PolarHBondContact O-N 3.31Å; W902-E905 VanDerWaalsContact O-N 3.16Å; R903-E905 VanDerWaalsContact C-N 3.34Å; E905-R908 WeakPolarHBondContact O-CB 3.47Å; E905-R908 PolarHBondContact O-N 3.13Å; E905-R908 IonicContact OE1-CZ 3.43Å; E905-R908 IonicContact OE1-NE 2.66Å; E905-R908 PolarHBondContact OE1-NE 3.44Å; E905-R908 IonicContact OE1-NH2 3.49Å; E905-R908 PolarHBondContact OE1-NH2 3.47Å; E905-R908 IonicContact OE2-CZ 3.07Å; E905-R908 IonicContact OE2-NE 2.63Å; E905-R908 PolarHBondContact OE2-NE 3.19Å; E905-R908 IonicContact OE2-NH2 2.65Å; E905-M909 WeakPolarHBondContact O-CG 3.46Å; E905-M909 PolarHBondContact O-N 3.01Å
906I74Confident75Confident44 Ų4484.3 Ų84.323%0.22643%0.429CS..Hα-helixtrans-63.4-43.9172.3-84.5-171.8000112.3W902 R903 R908 M909 F910W902-I906 HydrophobicContact CD2-CD1 4.01Å; W902-I906 HydrophobicContact CD2-CG1 4.41Å; W902-I906 HydrophobicContact CE3-CD1 3.92Å; W902-I906 HydrophobicContact CH2-CD1 3.04Å; W902-I906 HydrophobicContact CH2-CG1 4.3Å; W902-I906 HydrophobicContact CZ2-CD1 3.1Å; W902-I906 HydrophobicContact CZ2-CG1 4.06Å; W902-I906 HydrophobicContact CZ3-CD1 3.44Å; W902-I906 VanDerWaalsContact CZ3-CD1 3.44Å; W902-I906 PolarHBondContact O-N 3.28Å; R903-I906 PolarHBondContact O-N 3.1Å; I906-R908 VanDerWaalsContact C-N 3.28Å; I906-R908 PolarHBondContact O-N 3.37Å; I906-M909 PolarHBondContact O-N 2.97Å; I906-M909 VanDerWaalsContact O-N 3.16Å; I906-F910 HydrophobicContact CG2-CD2 3.49Å; I906-F910 VanDerWaalsContact CG2-CD2 3.49Å; I906-F910 HydrophobicContact CG2-CE2 3.54Å; I906-F910 WeakPolarHBondContact O-CD2 3.42Å; I906-F910 PolarHBondContact O-N 3.37Å
907A76.3Confident72.9Confident60 Ų6092 Ų9250%0.49646%0.455SS..Hα-helixtrans-61.6-39.9176.900000111.1R903 S904 M909 A911R903-A907 WeakPolarHBondContact O-CB 3.09Å; R903-A907 PolarHBondContact O-N 3.16Å; S904-A907 PolarHBondContact O-N 2.79Å; A907-M909 VanDerWaalsContact C-N 3.34Å; A907-A911 VanDerWaalsContact O-CB 3.25Å; A907-A911 WeakPolarHBondContact O-CB 3.37Å; A907-A911 PolarHBondContact O-N 3.07Å
908R77.4Confident70.3Confident114 Ų11493.3 Ų93.343%0.4346%0.462SS..Hα-helixtrans-58.5-46.9172.5-172.4-176.677.188.6-3.1110.8S904 E905 I906 A911 E912S904-R908 WeakPolarHBondContact O-CB 3.33Å; S904-R908 PolarHBondContact O-N 3.38Å; E905-R908 WeakPolarHBondContact O-CB 3.47Å; E905-R908 PolarHBondContact O-N 3.13Å; E905-R908 IonicContact OE1-CZ 3.43Å; E905-R908 IonicContact OE1-NE 2.66Å; E905-R908 PolarHBondContact OE1-NE 3.44Å; E905-R908 IonicContact OE1-NH2 3.49Å; E905-R908 PolarHBondContact OE1-NH2 3.47Å; E905-R908 IonicContact OE2-CZ 3.07Å; E905-R908 IonicContact OE2-NE 2.63Å; E905-R908 PolarHBondContact OE2-NE 3.19Å; E905-R908 IonicContact OE2-NH2 2.65Å; I906-R908 VanDerWaalsContact C-N 3.28Å; I906-R908 PolarHBondContact O-N 3.37Å; R908-A911 WeakPolarHBondContact O-CB 3.41Å; R908-A911 PolarHBondContact O-N 3.46Å; R908-E912 IonicContact CZ-OE1 2.82Å; R908-E912 IonicContact CZ-OE2 2.89Å; R908-E912 VanDerWaalsContact NH1-CD 3.29Å; R908-E912 IonicContact NH1-OE1 3.76Å; R908-E912 PolarHBondContact NH1-OE1 3.48Å; R908-E912 IonicContact NH1-OE2 3.5Å; R908-E912 PolarHBondContact NH1-OE2 3.2Å; R908-E912 WeakPolarHBondContact O-CB 3.44Å; R908-E912 WeakPolarHBondContact O-CG 3.34Å; R908-E912 PolarHBondContact O-N 3.47Å
909M68Low67.8Low56 Ų5697.1 Ų97.128%0.27649%0.491SS..Hα-helixtrans-66.9-42.4-179.7-76.7-162.253.300114.3W835 E905 I906 A907 A911 E912 Q913W835-M909 HydrophobicContact CH2-CE 3.57Å; W835-M909 HydrophobicContact CH2-SD 3.19Å; W835-M909 WeakPolarHBondContact CH2-SD 3.43Å; W835-M909 HydrophobicContact CZ2-CE 3.35Å; W835-M909 HydrophobicContact CZ2-SD 3.31Å; W835-M909 WeakPolarHBondContact CZ2-SD 3.34Å; W835-M909 HydrophobicContact CZ3-SD 4.43Å; E905-M909 WeakPolarHBondContact O-CG 3.46Å; E905-M909 PolarHBondContact O-N 3.01Å; I906-M909 PolarHBondContact O-N 2.97Å; I906-M909 VanDerWaalsContact O-N 3.16Å; A907-M909 VanDerWaalsContact C-N 3.34Å; M909-A911 VanDerWaalsContact C-N 3.33Å; M909-E912 PolarHBondContact O-N 3.22Å; M909-Q913 PolarHBondContact O-N 2.86Å
910F68.5Low65.4Low135 Ų135104.5 Ų104.559%0.59253%0.53SS*.Hα-helixtrans-66.1-36.5173.3-82.4-65.7000111.7I906 Q913 S914I906-F910 HydrophobicContact CG2-CD2 3.49Å; I906-F910 VanDerWaalsContact CG2-CD2 3.49Å; I906-F910 HydrophobicContact CG2-CE2 3.54Å; I906-F910 WeakPolarHBondContact O-CD2 3.42Å; I906-F910 PolarHBondContact O-N 3.37Å; F910-Q913 PolarHBondContact O-N 3.35Å; F910-S914 WeakPolarHBondContact O-CB 3.47Å; F910-S914 PolarHBondContact O-N 3.28Å; F910-S914 PolarHBondContact O-OG 3.14Å
911A72.6Confident63Low42 Ų42105.3 Ų105.335%0.34754%0.541SS..Hα-helixtrans-63.9-40.9173.200000111.5A907 R908 M909 S914 K915A907-A911 VanDerWaalsContact O-CB 3.25Å; A907-A911 WeakPolarHBondContact O-CB 3.37Å; A907-A911 PolarHBondContact O-N 3.07Å; R908-A911 WeakPolarHBondContact O-CB 3.41Å; R908-A911 PolarHBondContact O-N 3.46Å; M909-A911 VanDerWaalsContact C-N 3.33Å; A911-S914 WeakPolarHBondContact CA-OG 3.47Å; A911-S914 PolarHBondContact O-N 2.95Å; A911-S914 PolarHBondContact O-OG 3.38Å; A911-K915 WeakPolarHBondContact O-CG 3.41Å; A911-K915 PolarHBondContact O-N 3Å; A911-K915 VanDerWaalsContact O-N 3.09Å
912E69.9Low60.9Low95 Ų95107.1 Ų107.144%0.44455%0.55SS.*Hα-helixtrans-66.1-41.5175.3-76172-172.800112.3R908 M909 K915 M916R908-E912 IonicContact CZ-OE1 2.82Å; R908-E912 IonicContact CZ-OE2 2.89Å; R908-E912 VanDerWaalsContact NH1-CD 3.29Å; R908-E912 IonicContact NH1-OE1 3.76Å; R908-E912 PolarHBondContact NH1-OE1 3.48Å; R908-E912 IonicContact NH1-OE2 3.5Å; R908-E912 PolarHBondContact NH1-OE2 3.2Å; R908-E912 WeakPolarHBondContact O-CB 3.44Å; R908-E912 WeakPolarHBondContact O-CG 3.34Å; R908-E912 PolarHBondContact O-N 3.47Å; M909-E912 PolarHBondContact O-N 3.22Å; E912-K915 PolarHBondContact O-N 3.23Å; E912-M916 PolarHBondContact O-N 3.06Å
913Q60.6Low59Low111 Ų111113.4 Ų113.452%0.51958%0.578SS.*Hα-helixtrans-64-42.3172.4-83-173.3-7.600112.5M909 F910 K915 M916 Y917M909-Q913 PolarHBondContact O-N 2.86Å; F910-Q913 PolarHBondContact O-N 3.35Å; Q913-K915 PolarHBondContact O-N 3.16Å; Q913-M916 PolarHBondContact O-N 2.89Å; Q913-M916 VanDerWaalsContact O-N 3.09Å; Q913-Y917 PolarHBondContact O-N 3.28Å
914S57.5Low56.8Low67 Ų67114.6 Ų114.647%0.46959%0.594SS.*Hα-helixtrans-65.2-28.5178.472.10000113.1F910 A911 T918F910-S914 WeakPolarHBondContact O-CB 3.47Å; F910-S914 PolarHBondContact O-N 3.28Å; F910-S914 PolarHBondContact O-OG 3.14Å; A911-S914 WeakPolarHBondContact CA-OG 3.47Å; A911-S914 PolarHBondContact O-N 2.95Å; A911-S914 PolarHBondContact O-OG 3.38Å; S914-T918 PolarHBondContact O-OG1 3.3Å
915K55.4Low54.8Low162 Ų162120.4 Ų120.470%0.70461%0.609SS**Hα-helixtrans-76.1-22.7173.4-75176.1-179.7178.80113.3A911 E912 Q913A911-K915 WeakPolarHBondContact O-CG 3.41Å; A911-K915 PolarHBondContact O-N 3Å; A911-K915 VanDerWaalsContact O-N 3.09Å; E912-K915 PolarHBondContact O-N 3.23Å; Q913-K915 PolarHBondContact O-N 3.16Å
916M50.1Low53.1Low168 Ų168121 Ų12183%0.82863%0.627SS**Hα-helixtrans-80.9-16174-87.6-167.6159.900114E912 Q913E912-M916 PolarHBondContact O-N 3.06Å; Q913-M916 PolarHBondContact O-N 2.89Å; Q913-M916 VanDerWaalsContact O-N 3.09Å
917Y46.2Very low51.4Low206 Ų206127.8 Ų127.881%0.80866%0.658SS**SBendtrans-114.814.2-176.5-77.5-77.8000115.4Q913Q913-Y917 PolarHBondContact O-N 3.28Å
918T35.7Very low49.4Very low109 Ų109131 Ų13167%0.66967%0.671SS**  trans-120.184.4178.642.10000112.6S914S914-T918 PolarHBondContact O-OG1 3.3Å
919T36.1Very low47.5Very low141 Ų141131 Ų13187%0.86569%0.686SS**  trans-124.788.2154.748.80000108.7
920D37.8Very low46Very low157 Ų157134.4 Ų134.484%0.8471%0.71SS**  -178.2132.1123.9-125.4-17.8000110.3
921P35.7Very low44.5Very low103 Ų103132.8 Ų132.867%0.66972%0.715SS**  trans-93.1145.817434.5-25.8000110.4
922L39.5Very low42.9Very low156 Ų156136.8 Ų136.882%0.81774%0.736SS**  trans170.9111.8141.2-89.5157.9000113.7
923K39.2Very low41.2Very low177 Ų177139.2 Ų139.277%0.7775%0.752SS**  52.3117.3129.7-74.6-177.8177.6175.70123.6
924D35.9Very low40.2Very low143 Ų143141.1 Ų141.177%0.76577%0.766SS**  50.9118.1122.4-66.6-28.4000122.1
925K39.4Very low39.1Very low204 Ų204145.5 Ų145.589%0.88778%0.784SS**  168.1142.6101.6-92.1-174.9-179.8174.70114.7
926A39.1Very low38Very low90 Ų90146.3 Ų146.374%0.74479%0.79SS**  trans76.3146.6149.500000119.2
927Q39.7Very low37.1Very low188 Ų188146.9 Ų146.988%0.87979%0.788SS**  cis-168.8151.3-23.3-117.8167.8-2.100105.5
928T34.1Very low36.4Very low127 Ų127143.1 Ų143.178%0.77979%0.786SS**  trans-61.5167.9-171.3-11.80000116.1
929P37.1Very low36.1Very low114 Ų114145.9 Ų145.974%0.7480%0.796SS**  -149.1151.372.133.8-10.9000119.5
930T35.9Very low36Very low127 Ų127144.2 Ų144.278%0.77979%0.787SS**  trans7142.6146.745.50000120.3
931S37.8Very low35.5Very low101 Ų101148.7 Ų148.771%0.70679%0.792SS**  cis-171.4172.142.454.30000113
932T38.3Very low35.3Very low126 Ų126149.5 Ų149.577%0.77380%0.795SS**  trans88.189162.455.70000120.6
933N35Very low34.8Very low147 Ų147150.5 Ų150.579%0.78680%0.801SS**  29.5120.6128.7-59-3000120.8
934D39Very low34.5Very low150 Ų150150.9 Ų150.980%0.80280%0.802SS**  -168.9112.4108.1-87-16.6000111.1
935D34.1Very low34.4Very low159 Ų159150.3 Ų150.385%0.8580%0.804SS**  trans4393.9144.1-60.2-18.8000122.6
936E31.6Very low34.2Very low179 Ų179148.7 Ų148.784%0.83681%0.805SS**  trans-146.3117.3148.7-153.8-176.1-140.200109
937K32.4Very low34Very low181 Ų181153.6 Ų153.679%0.78781%0.813SS**  trans155.7147.3133.9-86.5177.5179.71750115.4
938T32.1Very low33.9Very low126 Ų126153.4 Ų153.477%0.77381%0.812SS**  trans84.299.4145.619.90000118.9P940T938-P940 WeakPolarHBondContact O-CD 3.39Å
939I29.4Very low34Very low168 Ų168153.3 Ų153.386%0.86281%0.814SS**PPolyproline II helixtrans-68.8122.9160.7-60.7163.4000109.5
940P32.3Very low33.8Very low106 Ų106154.6 Ų154.669%0.68882%0.82SS**PPolyproline II helixtrans-102.6138.3158.56.315.7000110.7T938 T942T938-P940 WeakPolarHBondContact O-CD 3.39Å; P940-T942 PolarHBondContact O-N 2.75Å
941R27.4Very low33.8Very low250 Ų250155.1 Ų155.194%0.94382%0.823SS**PPolyproline II helixtrans-49.3128.1165.3-81.7170.9162.5163.3-6.1111
942T32.5Very low33.5Very low120 Ų120160.4 Ų160.474%0.73683%0.833SS**  trans-147.9111.4154.9-8.60000110.3P940P940-T942 PolarHBondContact O-N 2.75Å
943L27.8Very low33.5Very low177 Ų177159.9 Ų159.993%0.92784%0.835SS**  trans-69.9117.9154.9-80.8138.5000107
944K34.3Very low33.6Very low185 Ų185159.4 Ų159.480%0.80484%0.837SS**  trans-144.4130.9155.5-79.7-162.8176.9-178.70110.2
945T34Very low33.3Very low131 Ų131161.2 Ų161.280%0.80484%0.841SS**  trans-39140.5170.740.50000115.6
946D34Very low33.4Very low171 Ų171161.2 Ų161.291%0.91484%0.841SS**  trans-62.1125.2169.3-65.4-51.8000111.4
947E36.2Very low33.3Very low192 Ų192158.5 Ų158.590%0.89784%0.836SS**  trans-111.1135.4161-83.3-176.2161.100108.6
948E36.3Very low33.5Very low184 Ų184156.7 Ų156.786%0.8684%0.841SS**  trans-64.4155.1179.9-75.9179.113900114T950E948-T950 PolarHBondContact O-N 2.73Å
949P35.7Very low33.4Very low126 Ų126159.9 Ų159.982%0.81885%0.847SS**  trans-86.7112.3-17933.5-29.5000111.9
950T33.6Very low33.6Very low141 Ų141158.3 Ų158.387%0.86585%0.845SS**  trans-79.9115.7163.845.20000111.2E948E948-T950 PolarHBondContact O-N 2.73Å
951T36.6Very low33.9Very low138 Ų138158.9 Ų158.985%0.84785%0.849SS**  trans-72.4127.2166.437.60000111.5
952K31.6Very low34Very low211 Ų211158.4 Ų158.492%0.91785%0.848SS**  trans-75126.6167.8-76.4178.1174.3178.60110.3
953S37Very low34.4Very low116 Ų116158.2 Ų158.281%0.81185%0.848SS**  trans-127.6142.2156.956.10000109.9
954T37.3Very low34.4Very low137 Ų137158.9 Ų158.984%0.8485%0.847SS**  trans-65.5149.7-168.4310000115.9
955E33Very low34.3Very low187 Ų187161.5 Ų161.587%0.87487%0.868SS**  trans-20.4124.3163.7-64.9166160.400116.8
956D36Very low34.3Very low160 Ų160163.1 Ų163.186%0.85687%0.871SS**  -149.2139.9127.5-142.7-16.1000111.5
957T30.5Very low34.3Very low121 Ų121162.6 Ų162.674%0.74287%0.869SS**  trans-80.2127.7-165.8330000113.6
958T35.7Very low34.2Very low143 Ų143161 Ų16188%0.87787%0.868SS**  trans-163.8118.6140.88.70000110.7
959Q30.1Very low34.1Very low193 Ų193159.6 Ų159.690%0.90287%0.868SS**  trans-67.9132.5-179.3-72166.1-2400111.5
960T33.7Very low34Very low135 Ų135161.8 Ų161.883%0.82887%0.871SS**  trans-144.2131.9150.1-1.10000109.1
961P37.6Very low34Very low119 Ų119163.1 Ų163.177%0.77387%0.872SS**PPolyproline II helixtrans-82.8142.6-165.432.3-32.9000112.5
962R30Very low33.9Very low240 Ų240164.9 Ų164.991%0.90687%0.873SS**PPolyproline II helixtrans-60.9132168.5-161.2-178.5-159.4-175.94.6109.7
963P40.4Very low34Very low115 Ų115161.4 Ų161.475%0.74787%0.87SS**PPolyproline II helixtrans-78.4122.4165.7-0.918.5000108.9
964E28.4Very low33.8Very low192 Ų192165.2 Ų165.290%0.89788%0.875SS**PPolyproline II helixtrans-63128.5151.8-71.3178.7155.600108.6
965L32.6Very low33.5Very low240 Ų240167.7 Ų167.7100%1.25788%0.878SS**  trans-149.70154.9-108.2167.3000108.5

Retrieved 965 of 965 residues in 459.9 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).