A0A087X8P7_POEFO Loading...

Protein argonaute-4

Required for RNA-mediated gene silencing (RNAi). Binds to short RNAs such as microRNAs (miRNAs) and represses the translation of mRNAs which are complementary to them. Lacks endonuclease activity and does not appear to cleave target mRNAs.

AlphaFold DB (A0A3Q3BJT8), UniProt , Accession A0A087X8P7, Species POEFO (Poecilia formosa, Amazon molly), Gene EIF2C4, Length 874 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
1M36.7Very low32.2Very low247 Ų247126.6 Ų126.6100%1.21780%0.804SS**  0103.80-74.4-176.8-161.500106.9
2E25.5Very low33.4Very low195 Ų195126.1 Ų126.191%0.91180%0.799SS**  trans-64.7136.8-176.6-72170.3140.600111.1L4E2-L4 PolarHBondContact O-N 2.93Å
3A28.3Very low34.6Very low104 Ų104123.2 Ų123.286%0.8679%0.785SS**  trans-73.6107.9176.100000109.1G5A3-G5 PolarHBondContact O-N 3.16Å
4L29.9Very low36.3Very low177 Ų177123.5 Ų123.593%0.92778%0.777SS**  trans-63.9115.1169-76.7157.8000108.9E2E2-L4 PolarHBondContact O-N 2.93Å
5G30.5Very low39.2Very low58 Ų58116.2 Ų116.260%0.59873%0.729SS**  trans-63167.9173.500000112.7A3 G7A3-G5 PolarHBondContact O-N 3.16Å; G5-G7 PolarHBondContact O-N 3.48Å
6P32.7Very low42.1Very low140 Ų140115.4 Ų115.491%0.90971%0.713SS**  trans-66.6112.2177.728.4-30.7000108.6
7G29.5Very low45Very low60 Ų60109.6 Ų109.662%0.61968%0.678SS**PPolyproline II helixtrans-59.1159173.600000111.9G5G5-G7 PolarHBondContact O-N 3.48Å
8P32.1Very low47.7Very low122 Ų122105.4 Ų105.479%0.79265%0.653SS**PPolyproline II helixtrans-58.4147.2177.825.8-32.7000110.3A10P8-A10 PolarHBondContact O-N 2.85Å
9P37Very low50.1Low126 Ų126107.9 Ų107.982%0.81865%0.649SS**PPolyproline II helixtrans-57.2126.6174.222.9-30.5000109.2
10A35.7Very low52.3Low75 Ų75104.3 Ų104.362%0.6262%0.623SS**PPolyproline II helixtrans-54.6143.6173.300000109.8P8 T12P8-A10 PolarHBondContact O-N 2.85Å; A10-T12 PolarHBondContact O-N 3.01Å
11P35.9Very low54.4Low89 Ų89103 Ų10358%0.57862%0.617SS**PPolyproline II helixtrans-63.1136.4-17224.4-32.3000110.9S13P11-S13 PolarHBondContact O-N 3.31Å
12T46.7Very low57.2Low120 Ų12092.7 Ų92.774%0.73658%0.575SS**G310 helixtrans-56.6-3.9173.8-4.10000114A10 L14A10-T12 PolarHBondContact O-N 3.01Å; T12-L14 VanDerWaalsContact C-N 3.28Å; T12-L14 PolarHBondContact O-N 2.87Å
13S49.1Very low60.6Low89 Ų8987.9 Ų87.962%0.62256%0.555SS**G310 helixtrans-72.6-8.1-176.662.10000115.3P11P11-S13 PolarHBondContact O-N 3.31Å
14L58.7Low63.9Low127 Ų12783.3 Ų83.367%0.66552%0.518SS*.G310 helixtrans-95.9-10.9-179.9-75.7165.3000114.4T12T12-L14 VanDerWaalsContact C-N 3.28Å; T12-L14 PolarHBondContact O-N 2.87Å
15F79.7Confident67.1Low14 Ų1480.3 Ų80.36%0.06151%0.507CS..  trans-111.8103.2-178.8-178.6-101.9000110.7A695 W696 L699 L783 W784F15-A695 HydrophobicContact CE1-CB 3.78Å; F15-A695 HydrophobicContact CE2-CB 4.42Å; F15-A695 HydrophobicContact CZ-CB 3.49Å; F15-A695 VanDerWaalsContact CZ-CB 3.49Å; F15-W696 HydrophobicContact CB-CB 4.48Å; F15-W696 HydrophobicContact CB-CD2 4.15Å; F15-W696 HydrophobicContact CB-CE3 3.69Å; F15-W696 HydrophobicContact CB-CZ3 4.17Å; F15-W696 HydrophobicContact CD2-CD2 4.46Å; F15-W696 AromaticContact CD2-CE3 3.48Å; F15-W696 HydrophobicContact CD2-CE3 3.48Å; F15-W696 VanDerWaalsContact CD2-CE3 3.48Å; F15-W696 HydrophobicContact CD2-CZ3 4.05Å; F15-W696 HydrophobicContact CE2-CE3 4.4Å; F15-W696 HydrophobicContact CG-CB 4.25Å; F15-W696 HydrophobicContact CG-CD2 4.49Å; F15-W696 AromaticContact CG-CE3 3.86Å; F15-W696 HydrophobicContact CG-CE3 3.86Å; F15-L699 HydrophobicContact CD2-CD2 4.41Å; F15-L699 HydrophobicContact CE2-CD2 3.99Å; F15-L783 HydrophobicContact CZ-CB 4.03Å; F15-L783 VanDerWaalsContact CZ-O 3.27Å; F15-L783 WeakPolarHBondContact CZ-O 3.41Å; F15-W784 HydrophobicContact CD2-CE3 4.05Å; F15-W784 HydrophobicContact CD2-CZ3 4.3Å; F15-W784 AromaticContact CE2-CE3 3.79Å; F15-W784 HydrophobicContact CE2-CE3 3.79Å; F15-W784 HydrophobicContact CE2-CZ3 4.49Å
16Q86.3Confident70.3Confident103 Ų10380 Ų8048%0.48149%0.493SS..  trans-116.6127.5174.3-72.8-175-23.200110.1E145Q16-E145 PolarHBondContact NE2-OE1 2.84Å
17P91.1Very high73.4Confident17 Ų1774.6 Ų74.611%0.1146%0.463CS..PPolyproline II helixtrans-56.1146.4169.9-26.536.8000111.6E760 L783P17-E760 HydrophobicContact CB-CG 4.12Å; P17-L783 HydrophobicContact CB-CD2 4.28Å; P17-L783 HydrophobicContact CG-CD2 3.99Å
18P93.2Very high76.6Confident34 Ų3478.5 Ų78.522%0.22146%0.462CS..PPolyproline II helixtrans-63.1141177.326.7-34.3000110.7F761 V782 L783 D785P18-F761 PolarHBondContact O-N 3.14Å; P18-V782 WeakPolarHBondContact CD-O 3.11Å; P18-V782 HydrophobicContact CG-CB 4.32Å; P18-V782 HydrophobicContact CG-CG1 3.85Å; P18-L783 VanDerWaalsContact CD-C 3.46Å; P18-D785 HydrophobicContact CG-CB 4.29Å
19R92.8Very high79.8Confident153 Ų15376.9 Ų76.958%0.57745%0.452SS*.BIsolated β-bridgetrans-62.5149.8167.4-72-175.6169.9-157.4-4.8109.9P21 N144R19-P21 WeakPolarHBondContact O-CD 3.4Å; R19-N144 PolarHBondContact NH2-OD1 2.96Å
20R94.5Very high82.7Confident36 Ų3671 Ų7114%0.13641%0.414CS..PPolyproline II helixtrans-56.1121.7173-172.4-174.4-53.1-77.3-4.6109.8G22 M202 D752 T756 H757 S759 E760 F761 D762R20-G22 VanDerWaalsContact CG-O 3.25Å; R20-G22 WeakPolarHBondContact CG-O 3.38Å; R20-G22 PolarHBondContact O-N 3.08Å; R20-M202 VanDerWaalsContact CZ-CE 3.44Å; R20-D752 PolarHBondContact NH1-O 2.87Å; R20-T756 PolarHBondContact NH2-OG1 2.73Å; R20-H757 PolarHBondContact NH2-O 2.71Å; R20-S759 PolarHBondContact N-O 2.79Å; R20-E760 PolarHBondContact NH2-O 2.96Å; R20-E760 VanDerWaalsContact NH2-O 3.09Å; R20-F761 HydrophobicContact CG-CD1 4.31Å; R20-D762 IonicContact CZ-OD1 3.28Å; R20-D762 PolarHBondContact NH1-O 2.74Å; R20-D762 IonicContact NH1-OD1 3.96Å; R20-D762 IonicContact NH2-OD1 3.21Å; R20-D762 PolarHBondContact NH2-OD1 3.27Å
21P95.9Very high85.7Confident76 Ų7673.9 Ų73.949%0.49441%0.409SS..  trans-73.3-19.1-177.529.3-35.7000112.7R19 F761 F789R19-P21 WeakPolarHBondContact O-CD 3.4Å; P21-F761 HydrophobicContact CG-CD2 4.06Å; P21-F761 HydrophobicContact CG-CE1 4.37Å; P21-F761 HydrophobicContact CG-CE2 3.76Å; P21-F761 HydrophobicContact CG-CZ 3.94Å; P21-F789 WeakPolarHBondContact CG-O 3.12Å
22G95.6Very high88.7Confident32 Ų3269.7 Ų69.733%0.3338%0.381SS..  trans164.7179-179.300000110.5R20 A791R20-G22 VanDerWaalsContact CG-O 3.25Å; R20-G22 WeakPolarHBondContact CG-O 3.38Å; R20-G22 PolarHBondContact O-N 3.08Å; G22-A791 WeakPolarHBondContact O-CB 3.43Å
23L96.7Very high91.1Very high94 Ų9465.4 Ų65.449%0.49235%0.354SS..  trans-91.5146.2168.7-61.8176.4000109.3M202 D752L23-M202 HydrophobicContact CD2-CE 4.23Å; L23-D752 VanDerWaalsContact CD2-O 3.29Å; L23-D752 WeakPolarHBondContact CD2-O 3.33Å
24G97.4Very high93.5Very high8 Ų861.1 Ų61.18%0.08232%0.324CS..  trans-70.7147.9172.600000111.3R405 D752 D792G24-R405 WeakPolarHBondContact O-CD 3.22Å; G24-R405 PolarHBondContact O-NE 2.51Å; G24-D752 PolarHBondContact N-OD2 2.76Å; G24-D792 VanDerWaalsContact CA-OD1 3.23Å; G24-D792 WeakPolarHBondContact CA-OD1 3.48Å
25T97.9Very high95.3Very high114 Ų11455.1 Ų55.170%0.69929%0.292SS*.  trans-119.5-18.7-17563.70000112.4D792T25-D792 PolarHBondContact N-OD1 3.42Å; T25-D792 PolarHBondContact N-OD2 3.24Å; T25-D792 PolarHBondContact OG1-OD2 3.25Å
26V97.6Very high96.1Very high52 Ų5254.5 Ų54.532%0.31529%0.29SS..  trans-79.9141-176.7177.60000111.2R405 L407 P408 D792 L796V26-R405 WeakPolarHBondContact O-CD 3.18Å; V26-R405 PolarHBondContact O-NH1 2.9Å; V26-L407 WeakPolarHBondContact O-CD2 3.4Å; V26-P408 HydrophobicContact CG1-CG 4.19Å; V26-D792 WeakPolarHBondContact CB-OD1 3.43Å; V26-D792 HydrophobicContact CG2-CB 4.12Å; V26-D792 PolarHBondContact N-OD1 3.46Å; V26-L796 HydrophobicContact CB-CD1 4.49Å; V26-L796 HydrophobicContact CG1-CD1 4.23Å; V26-L796 HydrophobicContact CG1-CD2 4.24Å; V26-L796 HydrophobicContact CG2-CD1 4.44Å
27G97.4Very high96.5Very high26 Ų2649.6 Ų49.627%0.26827%0.267SS..SBendtrans109.6157.8174.300000113.4V406G27-V406 CarbonylContact C-O 3.54Å; G27-V406 WeakPolarHBondContact CA-O 3.39Å
28K97.9Very high96.6Very high141 Ų14152 Ų5261%0.61328%0.277SS*.EExtended strand (participates in β ladder)trans-70.9129.1180-175.3-166.4170.7-164.60109.6R405 V406K28-R405 CarbonylContact O-C 3.5Å; K28-R405 WeakPolarHBondContact O-CA 3.45Å; K28-V406 PolarHBondContact N-O 2.71Å; K28-V406 PolarHBondContact O-N 3.44Å
29P98.2Very high96.5Very high88 Ų8850.6 Ų50.657%0.57127%0.267SS*.EExtended strand (participates in β ladder)trans-58.6143.2173-23.733.9000112.3T403 G404P29-T403 HydrophobicContact CB-CG2 4.35Å; P29-G404 WeakPolarHBondContact CA-O 3.33Å
30I98.3Very high96.5Very high2 Ų248.7 Ų48.71%0.0127%0.265CS..EExtended strand (participates in β ladder)trans-140133175.7176.9167.3000109.5L32 G404 V406 E737 P746 T749I30-L32 HydrophobicContact CD1-CD2 3.86Å; I30-L32 HydrophobicContact CG1-CD2 3.77Å; I30-L32 HydrophobicContact CG1-CG 4.31Å; I30-L32 HydrophobicContact CG2-CD1 4.35Å; I30-L32 HydrophobicContact CG2-CD2 4.32Å; I30-L32 HydrophobicContact CG2-CG 4.27Å; I30-G404 PolarHBondContact N-O 3.06Å; I30-G404 PolarHBondContact O-N 2.77Å; I30-V406 HydrophobicContact CB-CG2 4.06Å; I30-V406 HydrophobicContact CD1-CG2 4.27Å; I30-V406 HydrophobicContact CG2-CG2 3.73Å; I30-E737 HydrophobicContact CD1-CB 4.24Å; I30-E737 WeakPolarHBondContact CD1-OE2 3.16Å; I30-E737 VanDerWaalsContact CG1-OE2 3.28Å; I30-E737 WeakPolarHBondContact CG1-OE2 3.1Å; I30-P746 HydrophobicContact CD1-CG 3.84Å; I30-T749 HydrophobicContact CG2-CG2 4.27Å
31R98.5Very high96.3Very high137 Ų13747.7 Ų47.752%0.51726%0.262SS..EExtended strand (participates in β ladder)trans-83.7126.2175.4-69.1-174.868.6-170.10.2110.4E401 S733R31-E401 IonicContact CZ-OE2 3.89Å; R31-E401 IonicContact NH2-OE1 2.75Å; R31-E401 IonicContact NH2-OE2 3.65Å; R31-E401 PolarHBondContact NH2-OE2 2.82Å; R31-S733 VanDerWaalsContact C-OG 3.3Å; R31-S733 PolarHBondContact O-N 3.07Å; R31-S733 PolarHBondContact O-OG 3.48Å
32L98.7Very high96.1Very high1 Ų145.6 Ų45.61%0.00525%0.249CC..EExtended strand (participates in β ladder)trans-125.3156.6-175.3-56.1172.9000111.6I30 E401 V402 L730 F731 S733 V745 T749 V751I30-L32 HydrophobicContact CD1-CD2 3.86Å; I30-L32 HydrophobicContact CG1-CD2 3.77Å; I30-L32 HydrophobicContact CG1-CG 4.31Å; I30-L32 HydrophobicContact CG2-CD1 4.35Å; I30-L32 HydrophobicContact CG2-CD2 4.32Å; I30-L32 HydrophobicContact CG2-CG 4.27Å; L32-E401 WeakPolarHBondContact O-CA 3.32Å; L32-V402 WeakPolarHBondContact CA-O 3.44Å; L32-V402 WeakPolarHBondContact CB-O 3.22Å; L32-V402 PolarHBondContact N-O 3.41Å; L32-V402 PolarHBondContact O-N 3.26Å; L32-L730 HydrophobicContact CD1-CD1 4.39Å; L32-F731 CarbonylContact C-O 3.2Å; L32-F731 WeakPolarHBondContact CA-O 3.16Å; L32-S733 WeakPolarHBondContact CA-OG 3.22Å; L32-S733 PolarHBondContact N-OG 2.78Å; L32-S733 PolarHBondContact O-OG 2.98Å; L32-V745 HydrophobicContact CD2-CG1 3.68Å; L32-T749 HydrophobicContact CD1-CG2 3.56Å; L32-T749 HydrophobicContact CD2-CG2 4.23Å; L32-V751 HydrophobicContact CD1-CG2 3.62Å
33L98.6Very high95.9Very high29 Ų2951.9 Ų51.915%0.15227%0.267CS..EExtended strand (participates in β ladder)trans-112.4130.3164.4-66.8167.5000108.6M399 E401 L730 F731L33-M399 HydrophobicContact CB-CB 4.12Å; L33-M399 HydrophobicContact CB-SD 4.23Å; L33-M399 HydrophobicContact CD2-CB 4.16Å; L33-E401 HydrophobicContact CD2-CG 3.77Å; L33-L730 WeakPolarHBondContact O-CA 3.14Å; L33-F731 HydrophobicContact CB-CB 4.41Å; L33-F731 PolarHBondContact N-O 2.7Å; L33-F731 WeakPolarHBondContact O-CD2 3.26Å; L33-F731 PolarHBondContact O-N 2.84Å
34A98.3Very high95.7Very high0 Ų050.2 Ų50.20%026%0.258CS..EExtended strand (participates in β ladder)trans-103.3143.6172.100000109.7H36 M399 T400 V402 R729 L730 I755A34-H36 HydrophobicContact CB-CB 4.32Å; A34-H36 PolarHBondContact O-N 2.91Å; A34-M399 WeakPolarHBondContact O-CB 3.29Å; A34-M399 WeakPolarHBondContact O-CG 3.37Å; A34-T400 PolarHBondContact N-O 2.71Å; A34-T400 PolarHBondContact O-N 2.9Å; A34-V402 HydrophobicContact CB-CG2 4.19Å; A34-R729 WeakPolarHBondContact CA-O 3.4Å; A34-L730 HydrophobicContact CB-CD2 4.08Å; A34-I755 HydrophobicContact CB-CD1 3.85Å; A34-I755 HydrophobicContact CB-CG2 4.05Å
35N97.4Very high95.5Very high0 Ų053.3 Ų53.30%027%0.272CS..SBendtrans-73.84317168.7-29.8000113N208 I209 I371 M399 H727 T728 R729 F731N35-N208 PolarHBondContact ND2-ND2 3.04Å; N35-N208 PolarHBondContact O-ND2 3.04Å; N35-N208 PolarHBondContact OD1-ND2 2.9Å; N35-N208 VanDerWaalsContact OD1-ND2 3.17Å; N35-I209 WeakPolarHBondContact CB-O 3.38Å; N35-I209 PolarHBondContact ND2-O 2.93Å; N35-I209 PolarHBondContact O-N 2.96Å; N35-I371 HydrophobicContact CB-CD1 4.12Å; N35-I371 HydrophobicContact CB-CG2 4.32Å; N35-M399 HydrophobicContact CB-CE 4.26Å; N35-H727 PolarHBondContact ND2-O 3.46Å; N35-T728 WeakPolarHBondContact OD1-CA 3.39Å; N35-R729 PolarHBondContact N-O 3.19Å; N35-R729 PolarHBondContact OD1-N 3.42Å; N35-R729 PolarHBondContact OD1-O 2.93Å; N35-F731 HydrophobicContact CB-CE2 4.29Å
36H96.3Very high95.4Very high1 Ų147.9 Ų47.91%0.00524%0.239CC..EExtended strand (participates in β ladder)trans-112.1131.7174.1-72.860.1000106.5A34 M206 N208 T400 T728 I755A34-H36 HydrophobicContact CB-CB 4.32Å; A34-H36 PolarHBondContact O-N 2.91Å; H36-M206 HydrophobicContact CB-CB 4.15Å; H36-M206 HydrophobicContact CB-CG 4.36Å; H36-M206 HydrophobicContact CB-SD 4.27Å; H36-N208 PolarHBondContact CE1-ND2 2.72Å; H36-N208 PolarHBondContact ND1-ND2 3.11Å; H36-T400 WeakPolarHBondContact O-CB 3.47Å; H36-T400 PolarHBondContact O-N 3.47Å; H36-T400 PolarHBondContact O-OG1 3.11Å; H36-T728 PolarHBondContact CE1-OG1 3.4Å; H36-I755 HydrophobicContact CB-CG2 3.98Å
37F94.1Very high95.4Very high0 Ų048.1 Ų48.10%024%0.235CC..EExtended strand (participates in β ladder)trans-118.2123.5-177.6-62.8-88.9000107.3V39 L207 I209 I371 V375 V395 H396 N397 D398 M399F37-V39 PolarHBondContact O-N 2.81Å; F37-L207 HydrophobicContact CB-CB 4.34Å; F37-L207 WeakPolarHBondContact CD2-O 3.47Å; F37-L207 PolarHBondContact N-O 3.4Å; F37-L207 PolarHBondContact O-N 3.34Å; F37-I209 HydrophobicContact CD2-CB 4.16Å; F37-I209 HydrophobicContact CD2-CG1 4.05Å; F37-I209 HydrophobicContact CE2-CB 3.91Å; F37-I209 HydrophobicContact CE2-CG1 4.27Å; F37-I371 HydrophobicContact CE2-CG2 4.03Å; F37-I371 HydrophobicContact CZ-CG2 3.94Å; F37-V375 HydrophobicContact CD1-CG1 3.9Å; F37-V375 HydrophobicContact CD1-CG2 4.33Å; F37-V375 HydrophobicContact CD2-CG2 4.16Å; F37-V375 HydrophobicContact CE1-CB 3.98Å; F37-V375 HydrophobicContact CE1-CG1 3.82Å; F37-V375 HydrophobicContact CE1-CG2 3.83Å; F37-V375 HydrophobicContact CE2-CG2 3.67Å; F37-V375 HydrophobicContact CG-CG1 4.47Å; F37-V375 HydrophobicContact CG-CG2 4.49Å; F37-V375 HydrophobicContact CZ-CB 4.09Å; F37-V375 HydrophobicContact CZ-CG1 4.36Å; F37-V375 HydrophobicContact CZ-CG2 3.49Å; F37-V375 VanDerWaalsContact CZ-CG2 3.49Å; F37-V395 HydrophobicContact CB-CG1 4.06Å; F37-H396 WeakPolarHBondContact CB-O 3.32Å; F37-H396 WeakPolarHBondContact CD1-O 3.47Å; F37-N397 WeakPolarHBondContact CE1-O 2.87Å; F37-D398 VanDerWaalsContact CD1-O 3.28Å; F37-D398 WeakPolarHBondContact CD1-O 3.41Å; F37-M399 HydrophobicContact CE1-CG 4Å; F37-M399 HydrophobicContact CZ-CE 4.38Å; F37-M399 HydrophobicContact CZ-CG 3.75Å
38Q93.7Very high95.4Very high69 Ų6947.9 Ų47.932%0.32223%0.227SC..EExtended strand (participates in β ladder)trans-61.3134.1-175.7-174.2179.2-0.100110.4N204 M206 H396Q38-N204 HydrophobicContact CG-CB 4.07Å; Q38-N204 VanDerWaalsContact NE2-CG 3.28Å; Q38-N204 PolarHBondContact NE2-ND2 3.02Å; Q38-N204 PolarHBondContact NE2-OD1 3.11Å; Q38-M206 HydrophobicContact CB-SD 4.45Å; Q38-H396 HydrophobicContact CB-CB 4.28Å; Q38-H396 PolarHBondContact O-N 2.91Å
39V91.5Very high95.4Very high4 Ų441.3 Ų41.32%0.02420%0.198CC..EExtended strand (participates in β ladder)trans-109.8112.7175.7-173.50000108.2F37 I41 M205 L207 I393 V394 V395F37-V39 PolarHBondContact O-N 2.81Å; V39-I41 HydrophobicContact CG1-CD1 4.45Å; V39-I41 HydrophobicContact CG1-CG1 3.96Å; V39-M205 HydrophobicContact CB-CB 4.05Å; V39-M205 PolarHBondContact N-O 2.91Å; V39-L207 HydrophobicContact CG2-CB 3.69Å; V39-I393 HydrophobicContact CG1-CG2 3.57Å; V39-V394 CarbonylContact C-O 3.53Å; V39-V394 WeakPolarHBondContact CA-O 3.04Å; V39-V395 HydrophobicContact CG2-CG2 4.37Å
40Q91.1Very high95.3Very high112 Ų11238.3 Ų38.352%0.52318%0.177SC..EExtended strand (participates in β ladder)trans-82.6126.9170.4-176.2179.4-6.400109V394Q40-V394 HydrophobicContact CB-CB 4.23Å; Q40-V394 PolarHBondContact N-O 2.84Å; Q40-V394 PolarHBondContact O-N 3.45Å
41I91.4Very high95.2Very high16 Ų1638.2 Ų38.28%0.08218%0.177CC..  trans-120.6136.5-174.1-61.4163.1000108.7V39 L132 L135 L154 M205V39-I41 HydrophobicContact CG1-CD1 4.45Å; V39-I41 HydrophobicContact CG1-CG1 3.96Å; I41-L132 HydrophobicContact CG2-CB 3.88Å; I41-L132 HydrophobicContact CG2-CD1 3.66Å; I41-L132 HydrophobicContact CG2-CG 4.24Å; I41-L135 HydrophobicContact CD1-CD2 4.38Å; I41-L154 HydrophobicContact CD1-CD1 3.49Å; I41-L154 VanDerWaalsContact CD1-CD1 3.49Å; I41-L154 HydrophobicContact CD1-CD2 4.41Å; I41-L154 HydrophobicContact CG1-CD1 4.34Å; I41-L154 HydrophobicContact CG1-CD2 4.42Å; I41-L154 HydrophobicContact CG2-CD2 4.49Å; I41-M205 HydrophobicContact CD1-CB 3.49Å; I41-M205 VanDerWaalsContact CD1-CB 3.49Å; I41-M205 HydrophobicContact CD1-CG 3.13Å
42P91.6Very high95.1Very high32 Ų3233.5 Ų33.521%0.20816%0.16CC..  trans-77.7156.3177.128.8-28.9000112I44 F391 G392P42-I44 HydrophobicContact CB-CG1 4.36Å; P42-I44 HydrophobicContact CB-CG2 4.18Å; P42-I44 HydrophobicContact CG-CD1 3.82Å; P42-I44 HydrophobicContact CG-CG1 3.94Å; P42-I44 PolarHBondContact O-N 3.41Å; P42-F391 WeakPolarHBondContact CG-O 3.29Å; P42-G392 WeakPolarHBondContact CD-O 3.46Å
43K91.7Very high94.9Very high164 Ų16434 Ų3471%0.71316%0.163SC*.SBendtrans-83.368.6174.6-63.8179.7179.9-175.60109.8L136K43-L136 HydrophobicContact CG-CD1 3.66Å
44I91.7Very high94.6Very high58 Ų5837 Ų3730%0.29718%0.175SC..  trans-127.4163.8179.667.2178.4000111.1P42 L132P42-I44 HydrophobicContact CB-CG1 4.36Å; P42-I44 HydrophobicContact CB-CG2 4.18Å; P42-I44 HydrophobicContact CG-CD1 3.82Å; P42-I44 HydrophobicContact CG-CG1 3.94Å; P42-I44 PolarHBondContact O-N 3.41Å; I44-L132 HydrophobicContact CG1-CD1 4.12Å; I44-L132 WeakPolarHBondContact O-CB 3.45Å; I44-L132 PolarHBondContact O-N 3.2Å; I44-L132 VanDerWaalsContact O-N 3.1Å
45D94.5Very high94.1Very high74 Ų7439.8 Ų39.840%0.39619%0.193SC..EExtended strand (participates in β ladder)trans-90.5142.2166.5-75.4-20.3000110.7V129 S131D45-V129 HydrophobicContact CB-CG1 3.52Å; D45-S131 WeakPolarHBondContact OD1-CA 3.29Å; D45-S131 WeakPolarHBondContact OD1-CB 3.48Å; D45-S131 PolarHBondContact OD1-OG 3.01Å; D45-S131 VanDerWaalsContact OD1-OG 3.07Å
46V95.8Very high93.1Very high0 Ų045.7 Ų45.70%022%0.221CC..EExtended strand (participates in β ladder)trans-113.9138.3177.21720000109.2Y93 V130 L132 F391V46-Y93 HydrophobicContact CG1-CD1 3.89Å; V46-Y93 HydrophobicContact CG1-CG 4.26Å; V46-V130 HydrophobicContact CB-CB 4.37Å; V46-V130 PolarHBondContact N-O 3.34Å; V46-V130 PolarHBondContact O-N 2.93Å; V46-L132 HydrophobicContact CG2-CD1 3.69Å; V46-L132 HydrophobicContact CG2-CD2 4.41Å; V46-L132 HydrophobicContact CG2-CG 3.92Å; V46-F391 HydrophobicContact CG1-CE1 3.86Å; V46-F391 HydrophobicContact CG2-CD1 4.09Å; V46-F391 HydrophobicContact CG2-CE1 4.2Å
47Y97.1Very high92.3Very high56 Ų5655.4 Ų55.422%0.2226%0.263CS..EExtended strand (participates in β ladder)trans-99.6122.8-174.1-61.1-96.9000110.2Y93 T94 P97 V129Y47-Y93 VanDerWaalsContact O-CA 3.27Å; Y47-Y93 WeakPolarHBondContact O-CA 3.21Å; Y47-T94 PolarHBondContact N-O 3.37Å; Y47-T94 PolarHBondContact O-N 3.41Å; Y47-T94 VanDerWaalsContact O-N 3.07Å; Y47-P97 HydrophobicContact CD1-CB 3.87Å; Y47-P97 HydrophobicContact CE1-CB 3.71Å; Y47-P97 HydrophobicContact CE1-CG 4.11Å; Y47-P97 HydrophobicContact CE2-CB 4.49Å; Y47-P97 HydrophobicContact CE2-CG 4.44Å; Y47-P97 HydrophobicContact CG-CB 4.31Å; Y47-V129 HydrophobicContact CD1-CG2 4.04Å; Y47-V129 HydrophobicContact CE1-CG2 4.04Å
48H97.7Very high91.7Very high22 Ų2260.4 Ų60.410%0.10228%0.282CS..EExtended strand (participates in β ladder)trans-98.4130.7-179177.3-145.4000111.1N91 Y93 V127 S128 V130H48-N91 PolarHBondContact CE1-OD1 2.88Å; H48-N91 PolarHBondContact NE2-OD1 3.24Å; H48-Y93 HydrophobicContact CB-CD1 3.95Å; H48-Y93 HydrophobicContact CB-CE1 3.71Å; H48-Y93 AromaticContact CD2-CE1 3.55Å; H48-Y93 AromaticContact CD2-CZ 3.8Å; H48-Y93 AromaticContact CG-CE1 3.69Å; H48-V127 PolarHBondContact O-N 2.91Å; H48-S128 PolarHBondContact N-O 3.25Å; H48-S128 PolarHBondContact O-N 2.76Å; H48-V130 HydrophobicContact CB-CG2 4.28Å
49Y97.4Very high91.4Very high3 Ų360.6 Ų60.61%0.01229%0.289CS..EExtended strand (participates in β ladder)trans-124.5140.1177.2-60.1-90.9000110.9M92 T94 L98 I100 L124 Q125 W126Y49-M92 HydrophobicContact CD2-CE 4.23Å; Y49-M92 HydrophobicContact CG-CE 4.22Å; Y49-M92 PolarHBondContact N-O 3.47Å; Y49-M92 PolarHBondContact O-N 2.71Å; Y49-T94 HydrophobicContact CE2-CG2 4.37Å; Y49-T94 WeakPolarHBondContact CE2-OG1 3.24Å; Y49-L98 HydrophobicContact CD1-CD1 4.28Å; Y49-L98 HydrophobicContact CD2-CD1 4.22Å; Y49-L98 HydrophobicContact CE1-CB 4.15Å; Y49-L98 HydrophobicContact CE1-CD1 4.05Å; Y49-L98 HydrophobicContact CE1-CG 4.29Å; Y49-L98 HydrophobicContact CE2-CD1 3.97Å; Y49-L98 HydrophobicContact CE2-CG 4Å; Y49-L98 HydrophobicContact CG-CD1 4.38Å; Y49-L98 PolarHBondContact OH-N 2.78Å; Y49-I100 HydrophobicContact CD1-CD1 3.88Å; Y49-I100 HydrophobicContact CE1-CD1 3.7Å; Y49-I100 HydrophobicContact CE1-CG1 4.18Å; Y49-L124 HydrophobicContact CD1-CD1 4.09Å; Y49-L124 HydrophobicContact CG-CD1 4.08Å; Y49-Q125 CarbonylContact C-O 3.49Å; Y49-Q125 WeakPolarHBondContact CA-O 3.45Å; Y49-W126 HydrophobicContact CD1-CB 4.01Å; Y49-W126 HydrophobicContact CE1-CB 3.8Å; Y49-W126 AromaticContact CE1-CD1 3.82Å; Y49-W126 HydrophobicContact CE1-CG 4.24Å
50D96.3Very high91.3Very high25 Ų2567 Ų6713%0.13431%0.312CS..EExtended strand (participates in β ladder)trans-85.3134.6168.2-172.170000110.1R90 Q125 V127D50-R90 CarbonylContact C-O 3.47Å; D50-R90 VanDerWaalsContact CA-O 3.29Å; D50-R90 WeakPolarHBondContact CA-O 3.34Å; D50-R90 VanDerWaalsContact CG-NH2 3.31Å; D50-R90 IonicContact OD1-CZ 2.71Å; D50-R90 VanDerWaalsContact OD1-CZ 3.28Å; D50-R90 IonicContact OD1-NE 3.84Å; D50-R90 PolarHBondContact OD1-NE 3.21Å; D50-R90 IonicContact OD1-NH2 3.52Å; D50-R90 PolarHBondContact OD1-NH2 3.04Å; D50-R90 IonicContact OD2-CZ 3.08Å; D50-R90 IonicContact OD2-NE 2.89Å; D50-R90 PolarHBondContact OD2-NE 2.94Å; D50-R90 IonicContact OD2-NH2 3.69Å; D50-R90 PolarHBondContact OD2-NH2 2.83Å; D50-Q125 PolarHBondContact N-O 2.93Å; D50-Q125 PolarHBondContact O-N 3.39Å; D50-V127 HydrophobicContact CB-CG2 3.63Å
51I96.1Very high91.2Very high0 Ų069.1 Ų69.10%032%0.316CS..EExtended strand (participates in β ladder)trans-119.4114.6178.6-56.2-65.3000109.1I53 V67 Y86 R90 M92 V122 S123 L124I51-I53 HydrophobicContact CG2-CD1 4.23Å; I51-I53 HydrophobicContact CG2-CG1 3.89Å; I51-V67 HydrophobicContact CG2-CG2 4.08Å; I51-Y86 HydrophobicContact CB-CE2 4.09Å; I51-Y86 HydrophobicContact CG1-CD2 4.46Å; I51-Y86 HydrophobicContact CG1-CE2 4.16Å; I51-Y86 HydrophobicContact CG2-CE2 4.33Å; I51-R90 PolarHBondContact N-O 3.18Å; I51-R90 WeakPolarHBondContact O-CA 3.48Å; I51-M92 HydrophobicContact CD1-CB 4.05Å; I51-M92 HydrophobicContact CD1-CE 3.96Å; I51-M92 HydrophobicContact CD1-SD 3.94Å; I51-M92 HydrophobicContact CG1-CB 3.63Å; I51-M92 HydrophobicContact CG1-SD 4.4Å; I51-V122 HydrophobicContact CG2-CG1 3.9Å; I51-S123 WeakPolarHBondContact CA-O 3.5Å; I51-L124 HydrophobicContact CD1-CB 4.41Å; I51-L124 HydrophobicContact CD1-CD1 3.32Å; I51-L124 HydrophobicContact CD1-CG 4.46Å
52E95.6Very high91.1Very high37 Ų3769.9 Ų69.917%0.17332%0.321CS..EExtended strand (participates in β ladder)trans-105.3123.2172.6-164.3-173.1159.600109.3K54 R104 V122 S123E52-K54 WeakPolarHBondContact OE1-CE 3.3Å; E52-K54 IonicContact OE1-NZ 3.44Å; E52-K54 PolarHBondContact OE1-NZ 2.87Å; E52-R104 IonicContact OE1-NH2 3.99Å; E52-R104 IonicContact OE2-CZ 3.32Å; E52-R104 VanDerWaalsContact OE2-CZ 3.32Å; E52-R104 IonicContact OE2-NH1 3.14Å; E52-R104 PolarHBondContact OE2-NH1 3.06Å; E52-R104 VanDerWaalsContact OE2-NH1 3.14Å; E52-R104 IonicContact OE2-NH2 2.71Å; E52-R104 PolarHBondContact OE2-NH2 3.49Å; E52-V122 CarbonylContact O-C 3.46Å; E52-V122 VanDerWaalsContact O-CA 3.32Å; E52-V122 WeakPolarHBondContact O-CA 3.33Å; E52-S123 PolarHBondContact N-O 3.48Å; E52-S123 PolarHBondContact O-N 2.8Å
53I94.4Very high91.2Very high13 Ų1369.3 Ų69.37%0.06732%0.316CS..EExtended strand (participates in β ladder)trans-114.9122.5179.5-56.1175.6000109.6I51 P55 N63 V66 V67 F120 V122I51-I53 HydrophobicContact CG2-CD1 4.23Å; I51-I53 HydrophobicContact CG2-CG1 3.89Å; I53-P55 CarbonylContact O-C 3.56Å; I53-N63 HydrophobicContact CD1-CB 3.78Å; I53-V66 HydrophobicContact CD1-CB 4.39Å; I53-V66 HydrophobicContact CD1-CG1 4.24Å; I53-V66 HydrophobicContact CG2-CG1 4.34Å; I53-V67 HydrophobicContact CD1-CG2 4.13Å; I53-F120 HydrophobicContact CG2-CB 4.35Å; I53-F120 HydrophobicContact CG2-CD1 3.93Å; I53-V122 HydrophobicContact CG1-CG1 4.27Å; I53-V122 HydrophobicContact CG1-CG2 4.37Å
54K92.8Very high91.3Very high90 Ų9062.4 Ų62.439%0.39129%0.286SS..EExtended strand (participates in β ladder)trans-109.5135.1173.4-70.1179.9179.4157.70111E52 F120 K121E52-K54 WeakPolarHBondContact OE1-CE 3.3Å; E52-K54 IonicContact OE1-NZ 3.44Å; E52-K54 PolarHBondContact OE1-NZ 2.87Å; K54-F120 WeakPolarHBondContact O-CA 3.32Å; K54-K121 HydrophobicContact CB-CB 4.33Å; K54-K121 PolarHBondContact N-O 2.69Å; K54-K121 PolarHBondContact O-N 2.99Å
55P88Confident91.4Very high60 Ų6062.9 Ų62.939%0.3929%0.287SS..SBendcis-73.4144.41.928.9-35.1000113.8I53 R58I53-P55 CarbonylContact O-C 3.56Å; P55-R58 WeakPolarHBondContact O-CG 3.22Å
56E76.8Confident91.4Very high123 Ų12359.4 Ų59.458%0.57527%0.268SS*.SBendtrans-68.1170.2-178.8-64.4178.1-164.700113.3R58E56-R58 VanDerWaalsContact C-N 3.35Å; E56-R58 PolarHBondContact O-N 3.07Å
57K78.1Confident91.3Very high206 Ų20659.5 Ų59.590%0.89627%0.269SS*.SBendtrans65.827175.1-55.6177.4-178.9172.60115.4
58R83.1Confident91.2Very high105 Ų10558.1 Ų58.140%0.39627%0.265SS..  trans-76.3155.3170.6-64.5-66.3-178.2171.82.9112P55 E56 V62 N63 F120P55-R58 WeakPolarHBondContact O-CG 3.22Å; E56-R58 VanDerWaalsContact C-N 3.35Å; E56-R58 PolarHBondContact O-N 3.07Å; R58-V62 HydrophobicContact CB-CB 4.48Å; R58-V62 HydrophobicContact CB-CG1 4.49Å; R58-N63 WeakPolarHBondContact CB-OD1 3.34Å; R58-F120 HydrophobicContact CG-CE1 4.33Å
59P85.8Confident91Very high72 Ų7258.8 Ų58.847%0.46827%0.271SS..  trans-58.6140.7172.7-21.332.6000111R61 V62 N63P59-R61 PolarHBondContact O-N 2.83Å; P59-V62 HydrophobicContact CB-CG2 4.25Å; P59-V62 HydrophobicContact CG-CG2 4.19Å; P59-V62 WeakPolarHBondContact O-CB 3.48Å; P59-V62 PolarHBondContact O-N 2.85Å; P59-N63 PolarHBondContact O-N 3.23Å
60R89.8Confident90.9Very high138 Ų13858.6 Ų58.652%0.52127%0.27SS..Hα-helixtrans-52.8-33.5179.9-64-167.3-167.1-168.75.2113.7N63 R64 K89R60-N63 PolarHBondContact O-N 2.62Å; R60-R64 VanDerWaalsContact O-CG 3.32Å; R60-R64 WeakPolarHBondContact O-CG 3.03Å; R60-R64 PolarHBondContact O-N 3.37Å; R60-K89 HydrophobicContact CG-CG 4.35Å; R60-K89 VanDerWaalsContact NH2-CE 3.26Å
61R89.1Confident90.8Very high158 Ų15858.2 Ų58.260%0.59627%0.269SS*.Hα-helixtrans-60.7-45.2175.8179.4172.8173.5161.64.2112P59 N63 R64 E65P59-R61 PolarHBondContact O-N 2.83Å; R61-N63 VanDerWaalsContact C-N 3.35Å; R61-R64 PolarHBondContact O-N 2.95Å; R61-E65 WeakPolarHBondContact CG-OE1 3.3Å; R61-E65 IonicContact NE-OE1 3.46Å; R61-E65 PolarHBondContact NE-OE1 2.83Å; R61-E65 VanDerWaalsContact NE-OE1 3.11Å; R61-E65 WeakPolarHBondContact O-CG 3.21Å; R61-E65 PolarHBondContact O-N 2.89Å
62V90Very high90.7Very high32 Ų3265.8 Ų65.819%0.19430%0.297CS..Hα-helixtrans-63.3-44.3176.9178.70000110R58 P59 R64 E65 V66 L111 F120R58-V62 HydrophobicContact CB-CB 4.48Å; R58-V62 HydrophobicContact CB-CG1 4.49Å; P59-V62 HydrophobicContact CB-CG2 4.25Å; P59-V62 HydrophobicContact CG-CG2 4.19Å; P59-V62 WeakPolarHBondContact O-CB 3.48Å; P59-V62 PolarHBondContact O-N 2.85Å; V62-R64 PolarHBondContact O-N 3.02Å; V62-E65 WeakPolarHBondContact O-CB 3.27Å; V62-E65 PolarHBondContact O-N 2.98Å; V62-E65 VanDerWaalsContact O-N 3.11Å; V62-V66 HydrophobicContact CG1-CG2 4.41Å; V62-V66 WeakPolarHBondContact O-CG2 3.23Å; V62-V66 PolarHBondContact O-N 3.05Å; V62-L111 HydrophobicContact CG1-CD1 4.45Å; V62-F120 HydrophobicContact CG1-CZ 4.18Å
63N94.1Very high90.6Very high19 Ų1970.7 Ų70.710%0.10232%0.32CS..Hα-helixtrans-57.4-38.9176.5-68.7-0.3000112.3I53 R58 P59 R60 R61 V66 V67 Y86 G88I53-N63 HydrophobicContact CD1-CB 3.78Å; R58-N63 WeakPolarHBondContact CB-OD1 3.34Å; P59-N63 PolarHBondContact O-N 3.23Å; R60-N63 PolarHBondContact O-N 2.62Å; R61-N63 VanDerWaalsContact C-N 3.35Å; N63-V66 PolarHBondContact O-N 3.25Å; N63-V67 WeakPolarHBondContact O-CG2 3.42Å; N63-V67 PolarHBondContact O-N 3.45Å; N63-Y86 HydrophobicContact CB-CE1 4.18Å; N63-G88 WeakPolarHBondContact CB-O 3.32Å; N63-G88 PolarHBondContact ND2-O 3.42Å; N63-G88 VanDerWaalsContact ND2-O 3.08Å
64R94.2Very high90.6Very high20 Ų2071 Ų718%0.07532%0.321CS..Hα-helixtrans-69.2-40.3177-66172.9173.9-76.3-8.3112R60 R61 V62 V66 V67 D68 Y86 D87 H160 S163 M164R60-R64 VanDerWaalsContact O-CG 3.32Å; R60-R64 WeakPolarHBondContact O-CG 3.03Å; R60-R64 PolarHBondContact O-N 3.37Å; R61-R64 PolarHBondContact O-N 2.95Å; V62-R64 PolarHBondContact O-N 3.02Å; R64-V66 VanDerWaalsContact C-N 3.33Å; R64-V67 PolarHBondContact O-N 2.77Å; R64-D68 WeakPolarHBondContact O-CB 2.99Å; R64-D68 PolarHBondContact O-N 3.1Å; R64-Y86 HydrophobicContact CG-CD1 4Å; R64-Y86 HydrophobicContact CG-CE1 4.26Å; R64-Y86 PolarHBondContact NH1-O 2.9Å; R64-Y86 PolarHBondContact NH2-O 3.13Å; R64-D87 PolarHBondContact NH2-O 3.32Å; R64-H160 PolarHBondContact NH1-ND1 3.03Å; R64-S163 VanDerWaalsContact CZ-CB 3.44Å; R64-M164 HydrophobicContact CB-CE 4.4Å; R64-M164 HydrophobicContact CB-SD 3.38Å; R64-M164 WeakPolarHBondContact CB-SD 3.43Å; R64-M164 HydrophobicContact CG-SD 4.21Å
65E92.5Very high90.7Very high68 Ų6870.9 Ų70.932%0.31832%0.32SS..Hα-helixtrans-62-39.1173.5-70.2165.3-170.600111.7R61 V62 T69 L111R61-E65 WeakPolarHBondContact CG-OE1 3.3Å; R61-E65 IonicContact NE-OE1 3.46Å; R61-E65 PolarHBondContact NE-OE1 2.83Å; R61-E65 VanDerWaalsContact NE-OE1 3.11Å; R61-E65 WeakPolarHBondContact O-CG 3.21Å; R61-E65 PolarHBondContact O-N 2.89Å; V62-E65 WeakPolarHBondContact O-CB 3.27Å; V62-E65 PolarHBondContact O-N 2.98Å; V62-E65 VanDerWaalsContact O-N 3.11Å; E65-T69 WeakPolarHBondContact O-CB 3.41Å; E65-T69 PolarHBondContact O-N 2.99Å; E65-T69 PolarHBondContact O-OG1 2.84Å; E65-L111 HydrophobicContact CB-CD1 4.27Å
66V94.3Very high90.8Very high0 Ų076.6 Ų76.60%034%0.344CS..Hα-helixtrans-60.7-53.3172.3172.90000110.7I53 V62 N63 R64 D68 T69 M70 V109 L111 F120 V122I53-V66 HydrophobicContact CD1-CB 4.39Å; I53-V66 HydrophobicContact CD1-CG1 4.24Å; I53-V66 HydrophobicContact CG2-CG1 4.34Å; V62-V66 HydrophobicContact CG1-CG2 4.41Å; V62-V66 WeakPolarHBondContact O-CG2 3.23Å; V62-V66 PolarHBondContact O-N 3.05Å; N63-V66 PolarHBondContact O-N 3.25Å; R64-V66 VanDerWaalsContact C-N 3.33Å; V66-D68 PolarHBondContact O-N 3.06Å; V66-T69 PolarHBondContact O-N 3.32Å; V66-M70 WeakPolarHBondContact O-CB 3.35Å; V66-M70 PolarHBondContact O-N 2.89Å; V66-V109 HydrophobicContact CG1-CB 4.22Å; V66-V109 HydrophobicContact CG1-CG1 4.14Å; V66-L111 HydrophobicContact CB-CD1 4.47Å; V66-L111 HydrophobicContact CG2-CD1 3.49Å; V66-L111 VanDerWaalsContact CG2-CD1 3.49Å; V66-L111 HydrophobicContact CG2-CG 4.12Å; V66-F120 HydrophobicContact CG1-CB 4.17Å; V66-F120 HydrophobicContact CG1-CG 4.41Å; V66-F120 HydrophobicContact CG2-CB 4.46Å; V66-F120 HydrophobicContact CG2-CD1 4.08Å; V66-F120 HydrophobicContact CG2-CD2 3.74Å; V66-F120 HydrophobicContact CG2-CE1 4.25Å; V66-F120 HydrophobicContact CG2-CE2 3.94Å; V66-F120 HydrophobicContact CG2-CG 3.82Å; V66-F120 HydrophobicContact CG2-CZ 4.19Å; V66-V122 HydrophobicContact CG1-CG2 3.55Å
67V95Very high91.5Very high3 Ų377.2 Ų77.22%0.01835%0.347CS..Hα-helixtrans-64.9-40.7-178.2169.20000111.8I51 I53 N63 R64 T69 M70 V71 Y86 M92I51-V67 HydrophobicContact CG2-CG2 4.08Å; I53-V67 HydrophobicContact CD1-CG2 4.13Å; N63-V67 WeakPolarHBondContact O-CG2 3.42Å; N63-V67 PolarHBondContact O-N 3.45Å; R64-V67 PolarHBondContact O-N 2.77Å; V67-T69 VanDerWaalsContact C-N 3.31Å; V67-T69 PolarHBondContact O-N 3.32Å; V67-M70 HydrophobicContact CB-CE 4.42Å; V67-M70 HydrophobicContact CG1-CE 4.02Å; V67-M70 HydrophobicContact CG2-CE 4.32Å; V67-M70 WeakPolarHBondContact O-CB 3.45Å; V67-M70 PolarHBondContact O-N 3.43Å; V67-V71 HydrophobicContact CG1-CG2 4.33Å; V67-V71 VanDerWaalsContact O-CG2 3.23Å; V67-V71 WeakPolarHBondContact O-CG2 3.29Å; V67-V71 PolarHBondContact O-N 2.9Å; V67-Y86 HydrophobicContact CB-CD1 3.79Å; V67-Y86 HydrophobicContact CB-CE1 3.91Å; V67-Y86 HydrophobicContact CB-CG 4.41Å; V67-Y86 HydrophobicContact CG1-CD1 3.97Å; V67-Y86 HydrophobicContact CG1-CE1 4.49Å; V67-Y86 HydrophobicContact CG1-CG 4.11Å; V67-Y86 HydrophobicContact CG2-CD1 3.76Å; V67-Y86 HydrophobicContact CG2-CE1 3.42Å; V67-Y86 VanDerWaalsContact CG2-CE1 3.42Å; V67-Y86 HydrophobicContact CG2-CE2 4.35Å; V67-Y86 HydrophobicContact CG2-CG 4.33Å; V67-M92 HydrophobicContact CG1-SD 4.39Å
68D93.6Very high92.2Very high27 Ų2768 Ų6814%0.14431%0.307CS..Hα-helixtrans-61.3-39175.4173.966.8000111.9R64 V66 R72 M164R64-D68 WeakPolarHBondContact O-CB 2.99Å; R64-D68 PolarHBondContact O-N 3.1Å; V66-D68 PolarHBondContact O-N 3.06Å; D68-R72 VanDerWaalsContact CG-CZ 3.5Å; D68-R72 WeakPolarHBondContact O-CG 3.48Å; D68-R72 PolarHBondContact O-N 3.26Å; D68-R72 IonicContact OD1-CZ 2.76Å; D68-R72 IonicContact OD1-NH1 3.72Å; D68-R72 IonicContact OD1-NH2 3.94Å; D68-R72 PolarHBondContact OD1-NH2 3.07Å; D68-R72 IonicContact OD2-CZ 3.5Å; D68-R72 IonicContact OD2-NH1 2.71Å; D68-R72 PolarHBondContact OD2-NH1 2.88Å; D68-R72 IonicContact OD2-NH2 2.78Å; D68-R72 PolarHBondContact OD2-NH2 3.49Å; D68-M164 HydrophobicContact CB-CE 3.97Å
69T94.4Very high92.7Very high35 Ų3563 Ų6322%0.21529%0.288CS..Hα-helixtrans-69.9-40.8173.9-56.10000111.8E65 V66 V67 V71 R72 H73 V109 L111E65-T69 WeakPolarHBondContact O-CB 3.41Å; E65-T69 PolarHBondContact O-N 2.99Å; E65-T69 PolarHBondContact O-OG1 2.84Å; V66-T69 PolarHBondContact O-N 3.32Å; V67-T69 VanDerWaalsContact C-N 3.31Å; V67-T69 PolarHBondContact O-N 3.32Å; T69-V71 PolarHBondContact O-N 2.95Å; T69-R72 PolarHBondContact O-N 3.39Å; T69-H73 VanDerWaalsContact O-CB 3.29Å; T69-H73 WeakPolarHBondContact O-CB 3.41Å; T69-H73 PolarHBondContact O-N 3.2Å; T69-V109 HydrophobicContact CG2-CG1 3.97Å; T69-L111 HydrophobicContact CG2-CD2 4.07Å; T69-L111 WeakPolarHBondContact OG1-CD2 3.45Å
70M95.2Very high93.1Very high0 Ų060.9 Ų60.90%028%0.279CS..Hα-helixtrans-57.2-48.2174.1-175.2-173.561.600111.3V66 V67 R72 H73 F74 F79 L107 V109 V122V66-M70 WeakPolarHBondContact O-CB 3.35Å; V66-M70 PolarHBondContact O-N 2.89Å; V67-M70 HydrophobicContact CB-CE 4.42Å; V67-M70 HydrophobicContact CG1-CE 4.02Å; V67-M70 HydrophobicContact CG2-CE 4.32Å; V67-M70 WeakPolarHBondContact O-CB 3.45Å; V67-M70 PolarHBondContact O-N 3.43Å; M70-R72 VanDerWaalsContact C-N 3.32Å; M70-R72 PolarHBondContact O-N 3.34Å; M70-H73 PolarHBondContact O-N 3.47Å; M70-F74 HydrophobicContact CG-CD2 3.81Å; M70-F74 HydrophobicContact CG-CE2 4.39Å; M70-F74 WeakPolarHBondContact O-CB 3.36Å; M70-F74 WeakPolarHBondContact O-CD2 3.31Å; M70-F74 PolarHBondContact O-N 2.99Å; M70-F79 HydrophobicContact CE-CE1 4.44Å; M70-F79 HydrophobicContact CE-CE2 4.3Å; M70-F79 HydrophobicContact CE-CZ 3.62Å; M70-F79 HydrophobicContact CG-CE2 4.13Å; M70-F79 HydrophobicContact CG-CZ 4.37Å; M70-F79 HydrophobicContact SD-CZ 4.33Å; M70-L107 HydrophobicContact CG-CD1 3.83Å; M70-L107 HydrophobicContact SD-CD1 3.64Å; M70-V109 HydrophobicContact CB-CG1 4.5Å; M70-V109 HydrophobicContact CB-CG2 3.71Å; M70-V109 HydrophobicContact CG-CG2 3.88Å; M70-V122 HydrophobicContact CE-CG1 4.43Å; M70-V122 HydrophobicContact SD-CB 4.06Å; M70-V122 HydrophobicContact SD-CG1 3.55Å; M70-V122 VanDerWaalsContact SD-CG1 3.55Å
71V94.9Very high93.1Very high17 Ų1760.1 Ų60.110%0.10329%0.285CS..Hα-helixtrans-60.9-41.6-179.31710000111.4V67 T69 K75 F79 P84V67-V71 HydrophobicContact CG1-CG2 4.33Å; V67-V71 VanDerWaalsContact O-CG2 3.23Å; V67-V71 WeakPolarHBondContact O-CG2 3.29Å; V67-V71 PolarHBondContact O-N 2.9Å; T69-V71 PolarHBondContact O-N 2.95Å; V71-K75 PolarHBondContact O-N 3.3Å; V71-F79 HydrophobicContact CB-CD2 4.46Å; V71-F79 HydrophobicContact CB-CG 4.42Å; V71-F79 HydrophobicContact CG1-CB 4.33Å; V71-F79 HydrophobicContact CG1-CD1 4.5Å; V71-F79 HydrophobicContact CG1-CG 4.23Å; V71-F79 HydrophobicContact CG2-CD1 4.02Å; V71-F79 HydrophobicContact CG2-CD2 4.43Å; V71-F79 HydrophobicContact CG2-CE1 3.95Å; V71-F79 HydrophobicContact CG2-CE2 4.37Å; V71-F79 HydrophobicContact CG2-CG 4.27Å; V71-F79 HydrophobicContact CG2-CZ 4.14Å; V71-P84 HydrophobicContact CG1-CG 4.22Å; V71-P84 HydrophobicContact CG2-CG 3.45Å; V71-P84 VanDerWaalsContact CG2-CG 3.45Å
72R93.1Very high93.2Very high158 Ų15855.6 Ų55.660%0.59627%0.268SS*.Hα-helixtrans-69.3-45.1176-67.3-173.5-159.6109.24.2112.8D68 T69 M70 K75D68-R72 VanDerWaalsContact CG-CZ 3.5Å; D68-R72 WeakPolarHBondContact O-CG 3.48Å; D68-R72 PolarHBondContact O-N 3.26Å; D68-R72 IonicContact OD1-CZ 2.76Å; D68-R72 IonicContact OD1-NH1 3.72Å; D68-R72 IonicContact OD1-NH2 3.94Å; D68-R72 PolarHBondContact OD1-NH2 3.07Å; D68-R72 IonicContact OD2-CZ 3.5Å; D68-R72 IonicContact OD2-NH1 2.71Å; D68-R72 PolarHBondContact OD2-NH1 2.88Å; D68-R72 IonicContact OD2-NH2 2.78Å; D68-R72 PolarHBondContact OD2-NH2 3.49Å; T69-R72 PolarHBondContact O-N 3.39Å; M70-R72 VanDerWaalsContact C-N 3.32Å; M70-R72 PolarHBondContact O-N 3.34Å; R72-K75 WeakPolarHBondContact O-CB 3.34Å
73H94.1Very high93.4Very high140 Ų14057 Ų5765%0.64827%0.273SS*.Hα-helixtrans-70.9-42.7-173.9-169.476.7000111.9T69 M70 K75T69-H73 VanDerWaalsContact O-CB 3.29Å; T69-H73 WeakPolarHBondContact O-CB 3.41Å; T69-H73 PolarHBondContact O-N 3.2Å; M70-H73 PolarHBondContact O-N 3.47Å; H73-K75 VanDerWaalsContact C-N 3.29Å; H73-K75 PolarHBondContact O-N 3.23Å
74F94.5Very high93.4Very high21 Ų2156.3 Ų56.39%0.09227%0.269CS..THydrogen-bonded Turntrans-94.424.5-179.4-63.1-80.5000112.5M70 M76 Q77 I78 F79 L107 V109M70-F74 HydrophobicContact CG-CD2 3.81Å; M70-F74 HydrophobicContact CG-CE2 4.39Å; M70-F74 WeakPolarHBondContact O-CB 3.36Å; M70-F74 WeakPolarHBondContact O-CD2 3.31Å; M70-F74 PolarHBondContact O-N 2.99Å; F74-M76 PolarHBondContact O-N 2.77Å; F74-Q77 VanDerWaalsContact CD1-OE1 3.24Å; F74-Q77 PolarHBondContact O-N 3.42Å; F74-I78 HydrophobicContact CB-CD1 4.48Å; F74-I78 PolarHBondContact O-N 3.23Å; F74-F79 HydrophobicContact CB-CD2 4.08Å; F74-F79 HydrophobicContact CB-CE2 4.01Å; F74-F79 PolarHBondContact O-N 3.48Å; F74-L107 HydrophobicContact CD1-CD2 3.96Å; F74-L107 HydrophobicContact CD2-CD1 4.18Å; F74-L107 HydrophobicContact CE1-CD2 3.82Å; F74-L107 HydrophobicContact CE2-CB 4.07Å; F74-L107 HydrophobicContact CE2-CD1 4.47Å; F74-L107 HydrophobicContact CE2-CD2 4.46Å; F74-L107 HydrophobicContact CG-CD1 4.31Å; F74-L107 HydrophobicContact CG-CD2 4.36Å; F74-L107 HydrophobicContact CZ-CB 4.14Å; F74-L107 HydrophobicContact CZ-CD2 4.09Å; F74-V109 HydrophobicContact CE2-CG2 4.11Å
75K93.3Very high93.5Very high87 Ų8755.3 Ų55.338%0.37827%0.266SS..Iπ-helixtrans-54.9-53.8-177.5-168.4-172.9178.6-169.70111.6V71 R72 H73 Q77 F79 G80 D81V71-K75 PolarHBondContact O-N 3.3Å; R72-K75 WeakPolarHBondContact O-CB 3.34Å; H73-K75 VanDerWaalsContact C-N 3.29Å; H73-K75 PolarHBondContact O-N 3.23Å; K75-Q77 VanDerWaalsContact C-N 3.29Å; K75-Q77 PolarHBondContact O-N 2.85Å; K75-F79 PolarHBondContact O-N 2.89Å; K75-G80 WeakPolarHBondContact CE-O 3.21Å; K75-G80 WeakPolarHBondContact CG-O 3.46Å; K75-G80 WeakPolarHBondContact O-CA 3.48Å; K75-G80 PolarHBondContact O-N 2.78Å; K75-D81 WeakPolarHBondContact CE-OD1 3.47Å; K75-D81 IonicContact NZ-OD1 2.72Å; K75-D81 PolarHBondContact NZ-OD1 2.88Å
76M91.6Very high93.7Very high179 Ų17952.1 Ų52.188%0.88225%0.251SS*.Iπ-helixtrans-70.2-24.9-175.4-65.3-57.8-65.300113.9F74F74-M76 PolarHBondContact O-N 2.77Å
77Q90.8Very high93.6Very high137 Ų13753.1 Ų53.164%0.6426%0.256SS*.Iπ-helixtrans-91.6-39.4-172.3-64.3171.75.900112.2F74 K75F74-Q77 VanDerWaalsContact CD1-OE1 3.24Å; F74-Q77 PolarHBondContact O-N 3.42Å; K75-Q77 VanDerWaalsContact C-N 3.29Å; K75-Q77 PolarHBondContact O-N 2.85Å
78I93.4Very high93.5Very high12 Ų1253 Ų536%0.06226%0.255CS..Iπ-helixtrans-127-53.8-169.2-61.8175.3000111.4F74 L98 P99 I100 V105 L107 L124F74-I78 HydrophobicContact CB-CD1 4.48Å; F74-I78 PolarHBondContact O-N 3.23Å; I78-L98 HydrophobicContact CG2-CB 4.49Å; I78-L98 HydrophobicContact CG2-CD1 4.23Å; I78-L98 HydrophobicContact CG2-CD2 4.29Å; I78-P99 WeakPolarHBondContact O-CD 3.25Å; I78-I100 HydrophobicContact CG2-CG2 4.08Å; I78-V105 HydrophobicContact CD1-CG1 4.24Å; I78-L107 HydrophobicContact CD1-CD1 3.73Å; I78-L107 HydrophobicContact CD1-CD2 3.83Å; I78-L107 HydrophobicContact CD1-CG 4.34Å; I78-L124 HydrophobicContact CG2-CD2 4.07Å
79F94.2Very high93.5Very high0 Ų056.9 Ų56.90%027%0.271CS..Iπ-helixtrans-84.3-28.1-164.3-62.4-79.2000113.3M70 V71 F74 K75 D81 R82 P84 M92 L98 L124M70-F79 HydrophobicContact CE-CE1 4.44Å; M70-F79 HydrophobicContact CE-CE2 4.3Å; M70-F79 HydrophobicContact CE-CZ 3.62Å; M70-F79 HydrophobicContact CG-CE2 4.13Å; M70-F79 HydrophobicContact CG-CZ 4.37Å; M70-F79 HydrophobicContact SD-CZ 4.33Å; V71-F79 HydrophobicContact CB-CD2 4.46Å; V71-F79 HydrophobicContact CB-CG 4.42Å; V71-F79 HydrophobicContact CG1-CB 4.33Å; V71-F79 HydrophobicContact CG1-CD1 4.5Å; V71-F79 HydrophobicContact CG1-CG 4.23Å; V71-F79 HydrophobicContact CG2-CD1 4.02Å; V71-F79 HydrophobicContact CG2-CD2 4.43Å; V71-F79 HydrophobicContact CG2-CE1 3.95Å; V71-F79 HydrophobicContact CG2-CE2 4.37Å; V71-F79 HydrophobicContact CG2-CG 4.27Å; V71-F79 HydrophobicContact CG2-CZ 4.14Å; F74-F79 HydrophobicContact CB-CD2 4.08Å; F74-F79 HydrophobicContact CB-CE2 4.01Å; F74-F79 PolarHBondContact O-N 3.48Å; K75-F79 PolarHBondContact O-N 2.89Å; F79-D81 PolarHBondContact O-N 2.85Å; F79-R82 WeakPolarHBondContact O-CB 3.38Å; F79-R82 WeakPolarHBondContact O-CD 3.06Å; F79-R82 WeakPolarHBondContact O-CG 3.48Å; F79-R82 PolarHBondContact O-N 3.03Å; F79-R82 PolarHBondContact O-NH1 3.44Å; F79-P84 HydrophobicContact CD1-CG 4.28Å; F79-P84 HydrophobicContact CE1-CG 4.43Å; F79-M92 HydrophobicContact CE1-CE 4.01Å; F79-M92 HydrophobicContact CE1-SD 4.27Å; F79-L98 HydrophobicContact CD1-CD2 4.1Å; F79-L98 HydrophobicContact CE1-CD1 4.13Å; F79-L124 HydrophobicContact CZ-CD2 4.4Å
80G92.3Very high93.5Very high27 Ų2761.6 Ų61.628%0.27829%0.285SS..THydrogen-bonded Turntrans54.9-133.8-170.400000110.4K75 R82K75-G80 WeakPolarHBondContact CE-O 3.21Å; K75-G80 WeakPolarHBondContact CG-O 3.46Å; K75-G80 WeakPolarHBondContact O-CA 3.48Å; K75-G80 PolarHBondContact O-N 2.78Å; G80-R82 VanDerWaalsContact C-N 3.31Å
81D89.9Confident93.5Very high122 Ų12263 Ų6365%0.65229%0.293SS*.THydrogen-bonded Turntrans-86-0.6174.4-65.4-46.8000114.2K75 F79 Q83K75-D81 WeakPolarHBondContact CE-OD1 3.47Å; K75-D81 IonicContact NZ-OD1 2.72Å; K75-D81 PolarHBondContact NZ-OD1 2.88Å; F79-D81 PolarHBondContact O-N 2.85Å; D81-Q83 PolarHBondContact O-NE2 3.37Å
82R92.7Very high93.6Very high63 Ų6362.2 Ų62.224%0.23829%0.288CS..  trans-63.8141-175.2-58.6167.2-176.272.6-2.2111.7F79 G80 P84 P97 E390F79-R82 WeakPolarHBondContact O-CB 3.38Å; F79-R82 WeakPolarHBondContact O-CD 3.06Å; F79-R82 WeakPolarHBondContact O-CG 3.48Å; F79-R82 PolarHBondContact O-N 3.03Å; F79-R82 PolarHBondContact O-NH1 3.44Å; G80-R82 VanDerWaalsContact C-N 3.31Å; R82-P84 WeakPolarHBondContact O-CD 3.42Å; R82-P97 PolarHBondContact NE-O 3.18Å; R82-P97 VanDerWaalsContact NE-O 3.16Å; R82-P97 PolarHBondContact NH2-O 3.43Å; R82-E390 WeakPolarHBondContact CA-OE1 3.31Å
83Q92.4Very high93.9Very high61 Ų6155 Ų5529%0.28526%0.26SS..  trans-11390.7178.2-61.5-59.6-46.100110.6D81 Y387 E390D81-Q83 PolarHBondContact O-NE2 3.37Å; Q83-Y387 HydrophobicContact CB-CD1 3.75Å; Q83-Y387 HydrophobicContact CB-CE1 3.97Å; Q83-E390 HydrophobicContact CB-CB 4.14Å; Q83-E390 HydrophobicContact CB-CG 4.12Å
84P95.3Very high94Very high5 Ų548.3 Ų48.33%0.03223%0.23CC..  trans-70.5140.9-175.725.3-32000113.1V71 F79 R82 M92 Y93 T94 H160V71-P84 HydrophobicContact CG1-CG 4.22Å; V71-P84 HydrophobicContact CG2-CG 3.45Å; V71-P84 VanDerWaalsContact CG2-CG 3.45Å; F79-P84 HydrophobicContact CD1-CG 4.28Å; F79-P84 HydrophobicContact CE1-CG 4.43Å; R82-P84 WeakPolarHBondContact O-CD 3.42Å; P84-M92 HydrophobicContact CB-CG 3.67Å; P84-M92 HydrophobicContact CB-SD 3.72Å; P84-M92 HydrophobicContact CG-SD 4.1Å; P84-Y93 CarbonylContact C-O 3.54Å; P84-Y93 WeakPolarHBondContact CA-O 3.37Å; P84-Y93 WeakPolarHBondContact CB-O 3.21Å; P84-T94 HydrophobicContact CB-CG2 3.9Å; P84-H160 PolarHBondContact O-NE2 3.01Å
85G95.4Very high94Very high0 Ų047.5 Ų47.50%023%0.227CC..EExtended strand (participates in β ladder)trans-87.7133.9166.800000110.8M92 Y93G85-M92 CarbonylContact O-C 3.51Å; G85-M92 VanDerWaalsContact O-CA 3.3Å; G85-M92 WeakPolarHBondContact O-CA 3.46Å; G85-Y93 PolarHBondContact N-O 3.03Å; G85-Y93 PolarHBondContact O-N 3.33Å
86Y96.8Very high94.1Very high1 Ų148.6 Ų48.60%0.00423%0.233CC..EExtended strand (participates in β ladder)trans-131140.4-176.5178.1-130.8000112.6I51 N63 R64 V67 G88 K89 N91 M92 V156 H160I51-Y86 HydrophobicContact CB-CE2 4.09Å; I51-Y86 HydrophobicContact CG1-CD2 4.46Å; I51-Y86 HydrophobicContact CG1-CE2 4.16Å; I51-Y86 HydrophobicContact CG2-CE2 4.33Å; N63-Y86 HydrophobicContact CB-CE1 4.18Å; R64-Y86 HydrophobicContact CG-CD1 4Å; R64-Y86 HydrophobicContact CG-CE1 4.26Å; R64-Y86 PolarHBondContact NH1-O 2.9Å; R64-Y86 PolarHBondContact NH2-O 3.13Å; V67-Y86 HydrophobicContact CB-CD1 3.79Å; V67-Y86 HydrophobicContact CB-CE1 3.91Å; V67-Y86 HydrophobicContact CB-CG 4.41Å; V67-Y86 HydrophobicContact CG1-CD1 3.97Å; V67-Y86 HydrophobicContact CG1-CE1 4.49Å; V67-Y86 HydrophobicContact CG1-CG 4.11Å; V67-Y86 HydrophobicContact CG2-CD1 3.76Å; V67-Y86 HydrophobicContact CG2-CE1 3.42Å; V67-Y86 VanDerWaalsContact CG2-CE1 3.42Å; V67-Y86 HydrophobicContact CG2-CE2 4.35Å; V67-Y86 HydrophobicContact CG2-CG 4.33Å; Y86-G88 VanDerWaalsContact C-N 3.34Å; Y86-K89 VanDerWaalsContact OH-C 3.23Å; Y86-K89 PolarHBondContact OH-N 2.96Å; Y86-K89 PolarHBondContact OH-O 3.45Å; Y86-N91 VanDerWaalsContact CD2-O 3.25Å; Y86-N91 WeakPolarHBondContact CD2-O 3.33Å; Y86-M92 HydrophobicContact CD2-CB 4.18Å; Y86-V156 VanDerWaalsContact C-CG1 3.48Å; Y86-H160 PolarHBondContact N-ND1 2.93Å; Y86-H160 PolarHBondContact O-ND1 3.38Å
87D93.4Very high94.2Very high21 Ų2143 Ų4311%0.11221%0.21CC..  trans-83.5-7.8-178.380.5-19000114.1R64 K89 R90 N91 V156R64-D87 PolarHBondContact NH2-O 3.32Å; D87-K89 VanDerWaalsContact C-N 3.33Å; D87-K89 WeakPolarHBondContact OD1-CA 3.47Å; D87-K89 WeakPolarHBondContact OD1-CB 3.2Å; D87-K89 PolarHBondContact OD1-N 3.02Å; D87-R90 PolarHBondContact OD1-N 3.23Å; D87-N91 HydrophobicContact CB-CB 4.29Å; D87-N91 PolarHBondContact N-O 3.49Å; D87-N91 PolarHBondContact OD1-N 3.12Å; D87-N91 PolarHBondContact OD2-ND2 3.04Å; D87-V156 HydrophobicContact CB-CG1 4.1Å; D87-V156 HydrophobicContact CB-CG2 3.72Å
88G92.7Very high94.4Very high0 Ų036.9 Ų36.90%018%0.182CC..SBendtrans82.210-176.700000113.8N63 Y86N63-G88 WeakPolarHBondContact CB-O 3.32Å; N63-G88 PolarHBondContact ND2-O 3.42Å; N63-G88 VanDerWaalsContact ND2-O 3.08Å; Y86-G88 VanDerWaalsContact C-N 3.34Å
89K92.3Very high94.4Very high109 Ų10940.6 Ų40.647%0.47421%0.207SC..SBendtrans-130.2-78.3179.1-75.7-178.8155.6-170.10112.1R60 Y86 D87R60-K89 HydrophobicContact CG-CG 4.35Å; R60-K89 VanDerWaalsContact NH2-CE 3.26Å; Y86-K89 VanDerWaalsContact OH-C 3.23Å; Y86-K89 PolarHBondContact OH-N 2.96Å; Y86-K89 PolarHBondContact OH-O 3.45Å; D87-K89 VanDerWaalsContact C-N 3.33Å; D87-K89 WeakPolarHBondContact OD1-CA 3.47Å; D87-K89 WeakPolarHBondContact OD1-CB 3.2Å; D87-K89 PolarHBondContact OD1-N 3.02Å
90R94.3Very high94.3Very high133 Ų13341.6 Ų41.650%0.50221%0.212SC..SBendtrans-140.3-19.6-170.1-71.4-167.274.9164.49.4113.3D50 I51 D87D50-R90 CarbonylContact C-O 3.47Å; D50-R90 VanDerWaalsContact CA-O 3.29Å; D50-R90 WeakPolarHBondContact CA-O 3.34Å; D50-R90 VanDerWaalsContact CG-NH2 3.31Å; D50-R90 IonicContact OD1-CZ 2.71Å; D50-R90 VanDerWaalsContact OD1-CZ 3.28Å; D50-R90 IonicContact OD1-NE 3.84Å; D50-R90 PolarHBondContact OD1-NE 3.21Å; D50-R90 IonicContact OD1-NH2 3.52Å; D50-R90 PolarHBondContact OD1-NH2 3.04Å; D50-R90 IonicContact OD2-CZ 3.08Å; D50-R90 IonicContact OD2-NE 2.89Å; D50-R90 PolarHBondContact OD2-NE 2.94Å; D50-R90 IonicContact OD2-NH2 3.69Å; D50-R90 PolarHBondContact OD2-NH2 2.83Å; I51-R90 PolarHBondContact N-O 3.18Å; I51-R90 WeakPolarHBondContact O-CA 3.48Å; D87-R90 PolarHBondContact OD1-N 3.23Å
91N96.4Very high94.2Very high31 Ų3142.8 Ų42.817%0.16622%0.224CC..EExtended strand (participates in β ladder)trans-103.2116.3-171.2-55.9-69.9000110.3H48 Y86 D87 Y93H48-N91 PolarHBondContact CE1-OD1 2.88Å; H48-N91 PolarHBondContact NE2-OD1 3.24Å; Y86-N91 VanDerWaalsContact CD2-O 3.25Å; Y86-N91 WeakPolarHBondContact CD2-O 3.33Å; D87-N91 HydrophobicContact CB-CB 4.29Å; D87-N91 PolarHBondContact N-O 3.49Å; D87-N91 PolarHBondContact OD1-N 3.12Å; D87-N91 PolarHBondContact OD2-ND2 3.04Å; N91-Y93 HydrophobicContact CB-CE2 3.96Å
92M97.5Very high94.2Very high0 Ų045.7 Ų45.70%023%0.226CC..EExtended strand (participates in β ladder)trans-117.6142171.9-173.4-178.976.400110.1Y49 I51 V67 F79 P84 G85 Y86 L98 L124Y49-M92 HydrophobicContact CD2-CE 4.23Å; Y49-M92 HydrophobicContact CG-CE 4.22Å; Y49-M92 PolarHBondContact N-O 3.47Å; Y49-M92 PolarHBondContact O-N 2.71Å; I51-M92 HydrophobicContact CD1-CB 4.05Å; I51-M92 HydrophobicContact CD1-CE 3.96Å; I51-M92 HydrophobicContact CD1-SD 3.94Å; I51-M92 HydrophobicContact CG1-CB 3.63Å; I51-M92 HydrophobicContact CG1-SD 4.4Å; V67-M92 HydrophobicContact CG1-SD 4.39Å; F79-M92 HydrophobicContact CE1-CE 4.01Å; F79-M92 HydrophobicContact CE1-SD 4.27Å; P84-M92 HydrophobicContact CB-CG 3.67Å; P84-M92 HydrophobicContact CB-SD 3.72Å; P84-M92 HydrophobicContact CG-SD 4.1Å; G85-M92 CarbonylContact O-C 3.51Å; G85-M92 VanDerWaalsContact O-CA 3.3Å; G85-M92 WeakPolarHBondContact O-CA 3.46Å; Y86-M92 HydrophobicContact CD2-CB 4.18Å; M92-L98 HydrophobicContact CE-CD1 3.83Å; M92-L124 HydrophobicContact CE-CD1 3.38Å
93Y97.7Very high94Very high5 Ų548.7 Ų48.72%0.0225%0.247CC..EExtended strand (participates in β ladder)trans-126.7145-179.5-59.3-83.5000111V46 Y47 H48 P84 G85 N91 V130 A153 V156 F391V46-Y93 HydrophobicContact CG1-CD1 3.89Å; V46-Y93 HydrophobicContact CG1-CG 4.26Å; Y47-Y93 VanDerWaalsContact O-CA 3.27Å; Y47-Y93 WeakPolarHBondContact O-CA 3.21Å; H48-Y93 HydrophobicContact CB-CD1 3.95Å; H48-Y93 HydrophobicContact CB-CE1 3.71Å; H48-Y93 AromaticContact CD2-CE1 3.55Å; H48-Y93 AromaticContact CD2-CZ 3.8Å; H48-Y93 AromaticContact CG-CE1 3.69Å; P84-Y93 CarbonylContact C-O 3.54Å; P84-Y93 WeakPolarHBondContact CA-O 3.37Å; P84-Y93 WeakPolarHBondContact CB-O 3.21Å; G85-Y93 PolarHBondContact N-O 3.03Å; G85-Y93 PolarHBondContact O-N 3.33Å; N91-Y93 HydrophobicContact CB-CE2 3.96Å; Y93-V130 HydrophobicContact CE1-CG2 4.36Å; Y93-A153 HydrophobicContact CD1-CB 3.98Å; Y93-A153 HydrophobicContact CE1-CB 3.78Å; Y93-A153 HydrophobicContact CE2-CB 4.41Å; Y93-A153 HydrophobicContact CG-CB 4.36Å; Y93-V156 HydrophobicContact CD2-CB 4.05Å; Y93-V156 HydrophobicContact CD2-CG1 3.8Å; Y93-V156 HydrophobicContact CE2-CB 3.9Å; Y93-V156 HydrophobicContact CE2-CG1 3.96Å; Y93-V156 HydrophobicContact CE2-CG2 4.02Å; Y93-F391 WeakPolarHBondContact O-CZ 3.3Å
94T97.2Very high94Very high1 Ų151 Ų511%0.00625%0.253CS..EExtended strand (participates in β ladder)trans-132.2151.1171.360.30000111.1Y47 Y49 P84 H96 L98Y47-T94 PolarHBondContact N-O 3.37Å; Y47-T94 PolarHBondContact O-N 3.41Å; Y47-T94 VanDerWaalsContact O-N 3.07Å; Y49-T94 HydrophobicContact CE2-CG2 4.37Å; Y49-T94 WeakPolarHBondContact CE2-OG1 3.24Å; P84-T94 HydrophobicContact CB-CG2 3.9Å; T94-H96 VanDerWaalsContact C-N 3.31Å; T94-H96 WeakPolarHBondContact CB-O 3.44Å; T94-H96 PolarHBondContact OG1-O 3.32Å; T94-L98 HydrophobicContact CG2-CD1 4.38Å; T94-L98 HydrophobicContact CG2-CD2 4.14Å; T94-L98 HydrophobicContact CG2-CG 4.21Å
95A94.9Very high93.9Very high4 Ų452.6 Ų52.63%0.03326%0.263CS..SBendtrans-72.8-25.9175.700000112.8E390 F391A95-E390 HydrophobicContact CB-CG 4.16Å; A95-F391 HydrophobicContact CB-CD1 4.1Å; A95-F391 HydrophobicContact CB-CE1 4.32Å; A95-F391 HydrophobicContact CB-CG 4.28Å
96H94.2Very high93.9Very high110 Ų11057.7 Ų57.751%0.50929%0.29SS..SBendtrans-130.1151.7179-63-54.9000110.6T94T94-H96 VanDerWaalsContact C-N 3.31Å; T94-H96 WeakPolarHBondContact CB-O 3.44Å; T94-H96 PolarHBondContact OG1-O 3.32Å
97P94.8Very high93.8Very high61 Ų6158.5 Ų58.540%0.39629%0.294SS..  trans-64.4142.1-177.825.9-31.2000111Y47 R82Y47-P97 HydrophobicContact CD1-CB 3.87Å; Y47-P97 HydrophobicContact CE1-CB 3.71Å; Y47-P97 HydrophobicContact CE1-CG 4.11Å; Y47-P97 HydrophobicContact CE2-CB 4.49Å; Y47-P97 HydrophobicContact CE2-CG 4.44Å; Y47-P97 HydrophobicContact CG-CB 4.31Å; R82-P97 PolarHBondContact NE-O 3.18Å; R82-P97 VanDerWaalsContact NE-O 3.16Å; R82-P97 PolarHBondContact NH2-O 3.43Å
98L95.3Very high93.9Very high9 Ų963.3 Ų63.35%0.04732%0.316CS..  trans-78.1145.7169.8-62.8179.8000110.6Y49 I78 F79 M92 T94 I100 L124Y49-L98 HydrophobicContact CD1-CD1 4.28Å; Y49-L98 HydrophobicContact CD2-CD1 4.22Å; Y49-L98 HydrophobicContact CE1-CB 4.15Å; Y49-L98 HydrophobicContact CE1-CD1 4.05Å; Y49-L98 HydrophobicContact CE1-CG 4.29Å; Y49-L98 HydrophobicContact CE2-CD1 3.97Å; Y49-L98 HydrophobicContact CE2-CG 4Å; Y49-L98 HydrophobicContact CG-CD1 4.38Å; Y49-L98 PolarHBondContact OH-N 2.78Å; I78-L98 HydrophobicContact CG2-CB 4.49Å; I78-L98 HydrophobicContact CG2-CD1 4.23Å; I78-L98 HydrophobicContact CG2-CD2 4.29Å; F79-L98 HydrophobicContact CD1-CD2 4.1Å; F79-L98 HydrophobicContact CE1-CD1 4.13Å; M92-L98 HydrophobicContact CE-CD1 3.83Å; T94-L98 HydrophobicContact CG2-CD1 4.38Å; T94-L98 HydrophobicContact CG2-CD2 4.14Å; T94-L98 HydrophobicContact CG2-CG 4.21Å; L98-I100 HydrophobicContact CB-CD1 4.44Å; L98-I100 HydrophobicContact CB-CG1 4.18Å; L98-I100 HydrophobicContact CB-CG2 4.4Å; L98-I100 PolarHBondContact O-N 3.45Å; L98-L124 HydrophobicContact CD1-CD1 4.4Å; L98-L124 HydrophobicContact CD1-CD2 3.92Å
99P93.8Very high93.9Very high90 Ų9063.4 Ų63.458%0.58432%0.317SS*.THydrogen-bonded Turntrans-78.947.9-177.236.2-37.5000112.3I78I78-P99 WeakPolarHBondContact O-CD 3.25Å
100I91.3Very high93.9Very high20 Ų2061.4 Ų61.410%0.10331%0.313CS..THydrogen-bonded Turntrans-115.1-4-176.867.7174.6000113.3Y49 I78 L98 V105 L124Y49-I100 HydrophobicContact CD1-CD1 3.88Å; Y49-I100 HydrophobicContact CE1-CD1 3.7Å; Y49-I100 HydrophobicContact CE1-CG1 4.18Å; I78-I100 HydrophobicContact CG2-CG2 4.08Å; L98-I100 HydrophobicContact CB-CD1 4.44Å; L98-I100 HydrophobicContact CB-CG1 4.18Å; L98-I100 HydrophobicContact CB-CG2 4.4Å; L98-I100 PolarHBondContact O-N 3.45Å; I100-V105 HydrophobicContact CB-CG2 3.82Å; I100-V105 HydrophobicContact CG2-CG2 3.9Å; I100-L124 HydrophobicContact CD1-CD2 3.75Å; I100-L124 HydrophobicContact CD1-CG 3.68Å; I100-L124 HydrophobicContact CG2-CD2 4.44Å
101G89.9Confident93.6Very high53 Ų5356 Ų5655%0.54629%0.294SS..THydrogen-bonded Turntrans63.6-135.7-173.100000112
102R89.7Confident92.8Very high183 Ų18360 Ų6069%0.69132%0.322SS*.THydrogen-bonded Turntrans-107.5-5.8176-65.1-172.9177.6-177.10.5113.4W126R102-W126 HydrophobicContact CG-CD2 4.49Å; R102-W126 HydrophobicContact CG-CE3 3.87Å; R102-W126 HydrophobicContact CG-CZ3 4.29Å
103D88Confident91.3Very high125 Ų12561.1 Ų61.167%0.66833%0.334SS*.SBendtrans-75.9153.1-175.7-62.9-40.3000111.2
104R92.7Very high89.4Confident109 Ų10966 Ų6641%0.41136%0.357SS..  trans-75.1126.2173.8177.7-178.2174.2141.36.2109E52 D106 S123E52-R104 IonicContact OE1-NH2 3.99Å; E52-R104 IonicContact OE2-CZ 3.32Å; E52-R104 VanDerWaalsContact OE2-CZ 3.32Å; E52-R104 IonicContact OE2-NH1 3.14Å; E52-R104 PolarHBondContact OE2-NH1 3.06Å; E52-R104 VanDerWaalsContact OE2-NH1 3.14Å; E52-R104 IonicContact OE2-NH2 2.71Å; E52-R104 PolarHBondContact OE2-NH2 3.49Å; R104-D106 IonicContact CZ-OD1 3.94Å; R104-D106 IonicContact NE-OD1 3.08Å; R104-D106 PolarHBondContact NE-OD1 3.16Å; R104-D106 VanDerWaalsContact NE-OD1 3.08Å; R104-D106 IonicContact NH2-OD1 3.95Å; R104-S123 VanDerWaalsContact NE-CB 3.33Å; R104-S123 PolarHBondContact NE-OG 3.41Å; R104-S123 PolarHBondContact NH2-OG 2.86Å
105V94.6Very high87.8Confident40 Ų4068.5 Ų68.524%0.24238%0.383CS..EExtended strand (participates in β ladder)trans-107.6120.9174.6-178.20000109.2I78 I100 L107 S123 L124I78-V105 HydrophobicContact CD1-CG1 4.24Å; I100-V105 HydrophobicContact CB-CG2 3.82Å; I100-V105 HydrophobicContact CG2-CG2 3.9Å; V105-L107 HydrophobicContact CG1-CD2 3.91Å; V105-L107 HydrophobicContact CG1-CG 4.19Å; V105-S123 CarbonylContact O-C 3.6Å; V105-S123 WeakPolarHBondContact O-CA 3.46Å; V105-L124 PolarHBondContact N-O 3.06Å; V105-L124 PolarHBondContact O-N 2.85Å
106D95.7Very high86.9Confident107 Ų10776.8 Ų76.857%0.57242%0.418SS*.EExtended strand (participates in β ladder)trans-97.3128.9175.8-70.4-21.6000110.3R104 S123R104-D106 IonicContact CZ-OD1 3.94Å; R104-D106 IonicContact NE-OD1 3.08Å; R104-D106 PolarHBondContact NE-OD1 3.16Å; R104-D106 VanDerWaalsContact NE-OD1 3.08Å; R104-D106 IonicContact NH2-OD1 3.95Å; D106-S123 WeakPolarHBondContact OD1-CB 3.44Å; D106-S123 PolarHBondContact OD1-OG 3.27Å
107L94.6Very high86.4Confident18 Ų1876.5 Ų76.59%0.09442%0.42CS..EExtended strand (participates in β ladder)trans-124.5148.9-176.7-58.7173.8000110.1M70 F74 I78 V105 K121 V122M70-L107 HydrophobicContact CG-CD1 3.83Å; M70-L107 HydrophobicContact SD-CD1 3.64Å; F74-L107 HydrophobicContact CD1-CD2 3.96Å; F74-L107 HydrophobicContact CD2-CD1 4.18Å; F74-L107 HydrophobicContact CE1-CD2 3.82Å; F74-L107 HydrophobicContact CE2-CB 4.07Å; F74-L107 HydrophobicContact CE2-CD1 4.47Å; F74-L107 HydrophobicContact CE2-CD2 4.46Å; F74-L107 HydrophobicContact CG-CD1 4.31Å; F74-L107 HydrophobicContact CG-CD2 4.36Å; F74-L107 HydrophobicContact CZ-CB 4.14Å; F74-L107 HydrophobicContact CZ-CD2 4.09Å; I78-L107 HydrophobicContact CD1-CD1 3.73Å; I78-L107 HydrophobicContact CD1-CD2 3.83Å; I78-L107 HydrophobicContact CD1-CG 4.34Å; V105-L107 HydrophobicContact CG1-CD2 3.91Å; V105-L107 HydrophobicContact CG1-CG 4.19Å; L107-K121 CarbonylContact O-C 3.57Å; L107-K121 WeakPolarHBondContact O-CA 3.47Å; L107-V122 PolarHBondContact N-O 3.45Å; L107-V122 PolarHBondContact O-N 3Å
108E95.1Very high86Confident121 Ų12177.6 Ų77.657%0.56542%0.42SS*.EExtended strand (participates in β ladder)trans-110.5120.2175.7-165.4162.7-177.500109.4T119 F120E108-T119 HydrophobicContact CG-CG2 3.24Å; E108-T119 WeakPolarHBondContact OE1-CG2 3.4Å; E108-F120 WeakPolarHBondContact CA-O 3.35Å
109V93.1Very high85.8Confident3 Ų380.2 Ų80.22%0.01844%0.437CS..EExtended strand (participates in β ladder)trans-122.6121.6-173.9-176.80000108.9V66 T69 M70 F74 F120 V122V66-V109 HydrophobicContact CG1-CB 4.22Å; V66-V109 HydrophobicContact CG1-CG1 4.14Å; T69-V109 HydrophobicContact CG2-CG1 3.97Å; M70-V109 HydrophobicContact CB-CG1 4.5Å; M70-V109 HydrophobicContact CB-CG2 3.71Å; M70-V109 HydrophobicContact CG-CG2 3.88Å; F74-V109 HydrophobicContact CE2-CG2 4.11Å; V109-F120 PolarHBondContact N-O 3.43Å; V109-F120 PolarHBondContact O-N 2.92Å; V109-V122 HydrophobicContact CB-CG2 4.27Å; V109-V122 HydrophobicContact CG2-CB 4.41Å; V109-V122 HydrophobicContact CG2-CG2 3.78Å
110T91.4Very high85.8Confident66 Ų6676 Ų7641%0.40541%0.409SS..EExtended strand (participates in β ladder)trans-104.6123.4179.6-58.70000110.3D117 Q118 T119T110-D117 HydrophobicContact CG2-CB 3.67Å; T110-Q118 WeakPolarHBondContact CA-O 3.12Å; T110-T119 PolarHBondContact OG1-OG1 3.47Å
111L87.4Confident86Confident19 Ų1981.6 Ų81.610%0.09943%0.433CS..EExtended strand (participates in β ladder)trans-99.8141.6170.2-66.2-175000110.5V62 E65 V66 T69 G113 Q118 F120V62-L111 HydrophobicContact CG1-CD1 4.45Å; E65-L111 HydrophobicContact CB-CD1 4.27Å; V66-L111 HydrophobicContact CB-CD1 4.47Å; V66-L111 HydrophobicContact CG2-CD1 3.49Å; V66-L111 VanDerWaalsContact CG2-CD1 3.49Å; V66-L111 HydrophobicContact CG2-CG 4.12Å; T69-L111 HydrophobicContact CG2-CD2 4.07Å; T69-L111 WeakPolarHBondContact OG1-CD2 3.45Å; L111-G113 PolarHBondContact O-N 3.19Å; L111-Q118 PolarHBondContact N-O 3.27Å; L111-Q118 PolarHBondContact O-N 2.95Å; L111-F120 HydrophobicContact CB-CE2 4.14Å; L111-F120 HydrophobicContact CD1-CD2 4.42Å; L111-F120 HydrophobicContact CD1-CE2 3.84Å; L111-F120 HydrophobicContact CD1-CZ 4.47Å; L111-F120 HydrophobicContact CG-CD2 4.27Å; L111-F120 HydrophobicContact CG-CE2 3.99Å
112P80.6Confident86.3Confident115 Ų11579 Ų7975%0.74741%0.407SS*.PPolyproline II helixtrans-64.4123.5172.627-32.5000109.4
113G65.8Low86.6Confident25 Ų2570.8 Ų70.826%0.25838%0.377SS..PPolyproline II helixtrans-101.9160.9179.600000113.1L111 G115 K116L111-G113 PolarHBondContact O-N 3.19Å; G113-G115 PolarHBondContact O-N 3.49Å; G113-K116 WeakPolarHBondContact CA-O 3.19Å
114E58.6Low87Confident106 Ų10664.9 Ų64.950%0.49535%0.345SS..SBendtrans-71.779.2169.9-68.5175.5-168.800109.4R269 K270E114-R269 WeakPolarHBondContact OE2-CA 3.35Å; E114-K270 IonicContact OE1-NZ 2.77Å; E114-K270 PolarHBondContact OE1-NZ 2.85Å
115G63.5Low87.2Confident54 Ų5463.6 Ų63.656%0.55734%0.344SS*.SBendtrans112.8-36.7175.200000115.4G113G113-G115 PolarHBondContact O-N 3.49Å
116K74.6Confident87.3Confident179 Ų17964.7 Ų64.778%0.77834%0.344SS*.SBendtrans-140.4134.1172.6-168175.8-176.8176.50110G113G113-K116 WeakPolarHBondContact CA-O 3.19Å
117D84Confident87.3Confident103 Ų10362.8 Ų62.855%0.55134%0.336SS*.  trans-56.6141.7175.4-68.5-14.1000111.2T110T110-D117 HydrophobicContact CG2-CB 3.67Å
118Q87Confident87.3Confident85 Ų8563.7 Ų63.740%0.39734%0.344SS..EExtended strand (participates in β ladder)trans-109.4114.5179.8-71.2-175.920.300109.3T110 L111 F120T110-Q118 WeakPolarHBondContact CA-O 3.12Å; L111-Q118 PolarHBondContact N-O 3.27Å; L111-Q118 PolarHBondContact O-N 2.95Å; Q118-F120 HydrophobicContact CB-CE2 3.64Å; Q118-F120 HydrophobicContact CB-CZ 4.04Å; Q118-F120 VanDerWaalsContact O-CD2 3.31Å; Q118-F120 WeakPolarHBondContact O-CD2 3.37Å; Q118-F120 WeakPolarHBondContact O-CE2 3.42Å
119T90.8Very high87.4Confident64 Ų6460.9 Ų60.939%0.39334%0.335SS..EExtended strand (participates in β ladder)trans-94.8134.1177.2-47.60000110.7E108 T110E108-T119 HydrophobicContact CG-CG2 3.24Å; E108-T119 WeakPolarHBondContact OE1-CG2 3.4Å; T110-T119 PolarHBondContact OG1-OG1 3.47Å
120F93.5Very high87.5Confident1 Ų160.9 Ų60.90%0.00434%0.335CS..EExtended strand (participates in β ladder)trans-120.1137.3-178.2-63.6-92.5000109.3I53 K54 R58 V62 V66 E108 V109 L111 Q118 V122I53-F120 HydrophobicContact CG2-CB 4.35Å; I53-F120 HydrophobicContact CG2-CD1 3.93Å; K54-F120 WeakPolarHBondContact O-CA 3.32Å; R58-F120 HydrophobicContact CG-CE1 4.33Å; V62-F120 HydrophobicContact CG1-CZ 4.18Å; V66-F120 HydrophobicContact CG1-CB 4.17Å; V66-F120 HydrophobicContact CG1-CG 4.41Å; V66-F120 HydrophobicContact CG2-CB 4.46Å; V66-F120 HydrophobicContact CG2-CD1 4.08Å; V66-F120 HydrophobicContact CG2-CD2 3.74Å; V66-F120 HydrophobicContact CG2-CE1 4.25Å; V66-F120 HydrophobicContact CG2-CE2 3.94Å; V66-F120 HydrophobicContact CG2-CG 3.82Å; V66-F120 HydrophobicContact CG2-CZ 4.19Å; E108-F120 WeakPolarHBondContact CA-O 3.35Å; V109-F120 PolarHBondContact N-O 3.43Å; V109-F120 PolarHBondContact O-N 2.92Å; L111-F120 HydrophobicContact CB-CE2 4.14Å; L111-F120 HydrophobicContact CD1-CD2 4.42Å; L111-F120 HydrophobicContact CD1-CE2 3.84Å; L111-F120 HydrophobicContact CD1-CZ 4.47Å; L111-F120 HydrophobicContact CG-CD2 4.27Å; L111-F120 HydrophobicContact CG-CE2 3.99Å; Q118-F120 HydrophobicContact CB-CE2 3.64Å; Q118-F120 HydrophobicContact CB-CZ 4.04Å; Q118-F120 VanDerWaalsContact O-CD2 3.31Å; Q118-F120 WeakPolarHBondContact O-CD2 3.37Å; Q118-F120 WeakPolarHBondContact O-CE2 3.42Å; F120-V122 HydrophobicContact CB-CG2 4.4Å
121K95.4Very high87.6Confident137 Ų13758.6 Ų58.660%0.59632%0.321SS*.EExtended strand (participates in β ladder)trans-92.8120.2167.5-63.2-172.9177.5-168.90107.9K54 L107K54-K121 HydrophobicContact CB-CB 4.33Å; K54-K121 PolarHBondContact N-O 2.69Å; K54-K121 PolarHBondContact O-N 2.99Å; L107-K121 CarbonylContact O-C 3.57Å; L107-K121 WeakPolarHBondContact O-CA 3.47Å
122V96.5Very high87.9Confident0 Ų057.7 Ų57.70%032%0.317CS..EExtended strand (participates in β ladder)trans-116.3123.2-178.1-173.10000108.7I51 E52 I53 V66 M70 L107 V109 F120I51-V122 HydrophobicContact CG2-CG1 3.9Å; E52-V122 CarbonylContact O-C 3.46Å; E52-V122 VanDerWaalsContact O-CA 3.32Å; E52-V122 WeakPolarHBondContact O-CA 3.33Å; I53-V122 HydrophobicContact CG1-CG1 4.27Å; I53-V122 HydrophobicContact CG1-CG2 4.37Å; V66-V122 HydrophobicContact CG1-CG2 3.55Å; M70-V122 HydrophobicContact CE-CG1 4.43Å; M70-V122 HydrophobicContact SD-CB 4.06Å; M70-V122 HydrophobicContact SD-CG1 3.55Å; M70-V122 VanDerWaalsContact SD-CG1 3.55Å; L107-V122 PolarHBondContact N-O 3.45Å; L107-V122 PolarHBondContact O-N 3Å; V109-V122 HydrophobicContact CB-CG2 4.27Å; V109-V122 HydrophobicContact CG2-CB 4.41Å; V109-V122 HydrophobicContact CG2-CG2 3.78Å; F120-V122 HydrophobicContact CB-CG2 4.4Å
123S95.9Very high88.4Confident10 Ų1056.6 Ų56.67%0.0730%0.302CS..EExtended strand (participates in β ladder)trans-106.9130.3176.5-53.50000109.9I51 E52 R104 V105 D106I51-S123 WeakPolarHBondContact CA-O 3.5Å; E52-S123 PolarHBondContact N-O 3.48Å; E52-S123 PolarHBondContact O-N 2.8Å; R104-S123 VanDerWaalsContact NE-CB 3.33Å; R104-S123 PolarHBondContact NE-OG 3.41Å; R104-S123 PolarHBondContact NH2-OG 2.86Å; V105-S123 CarbonylContact O-C 3.6Å; V105-S123 WeakPolarHBondContact O-CA 3.46Å; D106-S123 WeakPolarHBondContact OD1-CB 3.44Å; D106-S123 PolarHBondContact OD1-OG 3.27Å
124L96.1Very high89.6Confident0 Ų059.4 Ų59.40%031%0.309CS..EExtended strand (participates in β ladder)trans-116.2123.7-178.2173.967.7000108.8Y49 I51 I78 F79 M92 L98 I100 V105Y49-L124 HydrophobicContact CD1-CD1 4.09Å; Y49-L124 HydrophobicContact CG-CD1 4.08Å; I51-L124 HydrophobicContact CD1-CB 4.41Å; I51-L124 HydrophobicContact CD1-CD1 3.32Å; I51-L124 HydrophobicContact CD1-CG 4.46Å; I78-L124 HydrophobicContact CG2-CD2 4.07Å; F79-L124 HydrophobicContact CZ-CD2 4.4Å; M92-L124 HydrophobicContact CE-CD1 3.38Å; L98-L124 HydrophobicContact CD1-CD1 4.4Å; L98-L124 HydrophobicContact CD1-CD2 3.92Å; I100-L124 HydrophobicContact CD1-CD2 3.75Å; I100-L124 HydrophobicContact CD1-CG 3.68Å; I100-L124 HydrophobicContact CG2-CD2 4.44Å; V105-L124 PolarHBondContact N-O 3.06Å; V105-L124 PolarHBondContact O-N 2.85Å
125Q96.6Very high91.1Very high82 Ų8254.4 Ų54.438%0.38329%0.286SS..EExtended strand (participates in β ladder)trans-138.8134.8-179.8-173.8176.4-2.500111.1Y49 D50Y49-Q125 CarbonylContact C-O 3.49Å; Y49-Q125 WeakPolarHBondContact CA-O 3.45Å; D50-Q125 PolarHBondContact N-O 2.93Å; D50-Q125 PolarHBondContact O-N 3.39Å
126W96.8Very high92.4Very high63 Ų6354 Ų5424%0.23927%0.27CS..EExtended strand (participates in β ladder)trans-68.4139173177.883.5000111.2Y49 R102 S128 V129Y49-W126 HydrophobicContact CD1-CB 4.01Å; Y49-W126 HydrophobicContact CE1-CB 3.8Å; Y49-W126 AromaticContact CE1-CD1 3.82Å; Y49-W126 HydrophobicContact CE1-CG 4.24Å; R102-W126 HydrophobicContact CG-CD2 4.49Å; R102-W126 HydrophobicContact CG-CE3 3.87Å; R102-W126 HydrophobicContact CG-CZ3 4.29Å; W126-S128 PolarHBondContact NE1-O 2.85Å; W126-V129 HydrophobicContact CZ2-CG2 4.18Å
127V95.7Very high93.2Very high68 Ų6848.7 Ų48.741%0.41225%0.249SC..EExtended strand (participates in β ladder)trans-117.4-58.7-177.5179.20000111.5H48 D50H48-V127 PolarHBondContact O-N 2.91Å; D50-V127 HydrophobicContact CB-CG2 3.63Å
128S95.8Very high93.4Very high37 Ų3743.9 Ų43.926%0.25922%0.223SC..EExtended strand (participates in β ladder)trans-158.1172.1-172.666.60000112.3H48 W126H48-S128 PolarHBondContact N-O 3.25Å; H48-S128 PolarHBondContact O-N 2.76Å; W126-S128 PolarHBondContact NE1-O 2.85Å
129V96.1Very high93.5Very high62 Ų6240 Ų4038%0.37621%0.205SC..EExtended strand (participates in β ladder)trans-108.3131166.4176.20000108.1D45 Y47 W126D45-V129 HydrophobicContact CB-CG1 3.52Å; Y47-V129 HydrophobicContact CD1-CG2 4.04Å; Y47-V129 HydrophobicContact CE1-CG2 4.04Å; W126-V129 HydrophobicContact CZ2-CG2 4.18Å
130V95.6Very high93.3Very high2 Ų238.9 Ų38.91%0.01220%0.2CC..EExtended strand (participates in β ladder)trans-108114.9180178.10000108.2V46 H48 Y93 S150 A153V46-V130 HydrophobicContact CB-CB 4.37Å; V46-V130 PolarHBondContact N-O 3.34Å; V46-V130 PolarHBondContact O-N 2.93Å; H48-V130 HydrophobicContact CB-CG2 4.28Å; Y93-V130 HydrophobicContact CE1-CG2 4.36Å; V130-S150 VanDerWaalsContact CG1-CA 3.46Å; V130-S150 VanDerWaalsContact CG1-OG 3.3Å; V130-S150 WeakPolarHBondContact CG1-OG 3.38Å; V130-A153 HydrophobicContact CG1-CB 4.22Å
131S93.8Very high92.5Very high18 Ų1840.6 Ų40.613%0.12622%0.217CC..EExtended strand (participates in β ladder)trans-88.5117.9-177.2-166.60000111.8D45 Q133 S150D45-S131 WeakPolarHBondContact OD1-CA 3.29Å; D45-S131 WeakPolarHBondContact OD1-CB 3.48Å; D45-S131 PolarHBondContact OD1-OG 3.01Å; D45-S131 VanDerWaalsContact OD1-OG 3.07Å; S131-Q133 VanDerWaalsContact C-N 3.27Å; S131-Q133 PolarHBondContact OG-N 2.84Å; S131-S150 PolarHBondContact O-OG 3.19Å
132L92.6Very high91.8Very high0 Ų041.1 Ų41.10%022%0.222CC..Hα-helixtrans-77.3-18.4172.2-57.4-177.5000111.8I41 I44 V46 L135 L136 L154I41-L132 HydrophobicContact CG2-CB 3.88Å; I41-L132 HydrophobicContact CG2-CD1 3.66Å; I41-L132 HydrophobicContact CG2-CG 4.24Å; I44-L132 HydrophobicContact CG1-CD1 4.12Å; I44-L132 WeakPolarHBondContact O-CB 3.45Å; I44-L132 PolarHBondContact O-N 3.2Å; I44-L132 VanDerWaalsContact O-N 3.1Å; V46-L132 HydrophobicContact CG2-CD1 3.69Å; V46-L132 HydrophobicContact CG2-CD2 4.41Å; V46-L132 HydrophobicContact CG2-CG 3.92Å; L132-L135 WeakPolarHBondContact O-CB 3.28Å; L132-L135 PolarHBondContact O-N 2.77Å; L132-L136 WeakPolarHBondContact O-CG 3.36Å; L132-L136 PolarHBondContact O-N 2.83Å; L132-L154 HydrophobicContact CD1-CD2 4.45Å; L132-L154 HydrophobicContact CD2-CD1 4.43Å; L132-L154 HydrophobicContact CD2-CD2 4.31Å; L132-L154 HydrophobicContact CD2-CG 4.21Å
133Q91.2Very high90.9Very high93 Ų9343.8 Ų43.844%0.43524%0.236SC..Hα-helixtrans-65-47.1172.2178.6175.3-19.500111.4S131 L135 L136 E137S131-Q133 VanDerWaalsContact C-N 3.27Å; S131-Q133 PolarHBondContact OG-N 2.84Å; Q133-L135 PolarHBondContact O-N 2.98Å; Q133-L136 WeakPolarHBondContact O-CB 3.43Å; Q133-L136 PolarHBondContact O-N 3.26Å; Q133-E137 PolarHBondContact NE2-OE1 3.03Å; Q133-E137 PolarHBondContact O-N 3.36Å
134M90.8Very high89.8Confident84 Ų8448.4 Ų48.441%0.41426%0.26SS..Hα-helixtrans-57.9-36.1175.9-69.1-165.7-65.800111.8E137 A138 L143 P147M134-E137 PolarHBondContact O-N 3.19Å; M134-A138 PolarHBondContact O-N 3.47Å; M134-L143 HydrophobicContact CB-CD1 4.34Å; M134-L143 VanDerWaalsContact O-CD1 3.29Å; M134-L143 WeakPolarHBondContact O-CD1 3.49Å; M134-P147 HydrophobicContact CB-CG 4.24Å
135L92.1Very high89.1Confident0 Ų053.4 Ų53.40%028%0.283CS..Hα-helixtrans-62.7-43.7174.9179.161.6000111.7I41 L132 Q133 E137 A138 L139 V146 V151 L154 M205I41-L135 HydrophobicContact CD1-CD2 4.38Å; L132-L135 WeakPolarHBondContact O-CB 3.28Å; L132-L135 PolarHBondContact O-N 2.77Å; Q133-L135 PolarHBondContact O-N 2.98Å; L135-E137 VanDerWaalsContact C-N 3.31Å; L135-E137 PolarHBondContact O-N 2.87Å; L135-A138 PolarHBondContact O-N 3.2Å; L135-L139 HydrophobicContact CD1-CD1 4.4Å; L135-L139 HydrophobicContact CD1-CG 4.37Å; L135-L139 HydrophobicContact CG-CD1 4.09Å; L135-L139 WeakPolarHBondContact O-CG 3.41Å; L135-L139 PolarHBondContact O-N 3.46Å; L135-V146 HydrophobicContact CD1-CG1 3.69Å; L135-V151 HydrophobicContact CD1-CG2 3.93Å; L135-L154 HydrophobicContact CD2-CD1 3.4Å; L135-M205 HydrophobicContact CD1-SD 4.13Å; L135-M205 HydrophobicContact CD2-CG 4.08Å; L135-M205 HydrophobicContact CD2-SD 4.01Å; L135-M205 HydrophobicContact CG-SD 4.3Å
136L90.9Very high88.8Confident45 Ų4550.6 Ų50.624%0.23627%0.271CS..Hα-helixtrans-63.9-35.8176.4-66.9168.1000112.4K43 L132 Q133 L139 S140K43-L136 HydrophobicContact CG-CD1 3.66Å; L132-L136 WeakPolarHBondContact O-CG 3.36Å; L132-L136 PolarHBondContact O-N 2.83Å; Q133-L136 WeakPolarHBondContact O-CB 3.43Å; Q133-L136 PolarHBondContact O-N 3.26Å; L136-L139 HydrophobicContact CD2-CD1 4.42Å; L136-L139 PolarHBondContact O-N 3.08Å; L136-S140 PolarHBondContact O-N 3.41Å; L136-S140 VanDerWaalsContact O-N 3.13Å; L136-S140 PolarHBondContact O-OG 3.27Å
137E89.7Confident88.5Confident69 Ų6948.6 Ų48.632%0.32227%0.267SS..Hα-helixtrans-66.4-38.5173.6-69.5172.7-166.600111.9Q133 M134 L135 S140 G141 H142 L143Q133-E137 PolarHBondContact NE2-OE1 3.03Å; Q133-E137 PolarHBondContact O-N 3.36Å; M134-E137 PolarHBondContact O-N 3.19Å; L135-E137 VanDerWaalsContact C-N 3.31Å; L135-E137 PolarHBondContact O-N 2.87Å; E137-S140 WeakPolarHBondContact CA-OG 3.46Å; E137-S140 PolarHBondContact O-OG 2.91Å; E137-G141 PolarHBondContact O-N 2.93Å; E137-H142 WeakPolarHBondContact O-CB 3.22Å; E137-H142 PolarHBondContact O-N 3.12Å; E137-L143 HydrophobicContact CB-CD1 4.08Å; E137-L143 HydrophobicContact CB-CG 4.1Å
138A89.1Confident88.1Confident2 Ų252 Ų522%0.01728%0.278CS..Hα-helixtrans-65.9-41.2172.700000112.9M134 L135 S140 G141 L143 V146M134-A138 PolarHBondContact O-N 3.47Å; L135-A138 PolarHBondContact O-N 3.2Å; A138-S140 VanDerWaalsContact C-N 3.27Å; A138-S140 PolarHBondContact O-N 2.91Å; A138-G141 PolarHBondContact O-N 3.4Å; A138-L143 HydrophobicContact CB-CB 3.99Å; A138-L143 HydrophobicContact CB-CD1 4.15Å; A138-L143 HydrophobicContact CB-CG 4.47Å; A138-V146 HydrophobicContact CB-CG2 4.45Å
139L89.4Confident87.9Confident4 Ų453.5 Ų53.52%0.02128%0.283CS..Hα-helixtrans-67.8-27.4-180-66.2166.6000113.2L135 L136 P200 A201 W203 M205 P758L135-L139 HydrophobicContact CD1-CD1 4.4Å; L135-L139 HydrophobicContact CD1-CG 4.37Å; L135-L139 HydrophobicContact CG-CD1 4.09Å; L135-L139 WeakPolarHBondContact O-CG 3.41Å; L135-L139 PolarHBondContact O-N 3.46Å; L136-L139 HydrophobicContact CD2-CD1 4.42Å; L136-L139 PolarHBondContact O-N 3.08Å; L139-P200 HydrophobicContact CD2-CB 3.65Å; L139-A201 VanDerWaalsContact CD2-O 3.28Å; L139-A201 WeakPolarHBondContact CD2-O 3.46Å; L139-W203 WeakPolarHBondContact O-CA 3.44Å; L139-W203 PolarHBondContact O-N 3.4Å; L139-M205 HydrophobicContact CD1-CG 3.67Å; L139-M205 HydrophobicContact CD1-SD 3.77Å; L139-M205 HydrophobicContact CD2-SD 3.79Å; L139-M205 HydrophobicContact CG-SD 4.32Å; L139-P758 HydrophobicContact CD2-CG 4.42Å
140S85.5Confident87.8Confident40 Ų4050.5 Ų50.528%0.2827%0.265SS..THydrogen-bonded Turntrans-81.4-2.3172.547.30000113.3L136 E137 A138 H142L136-S140 PolarHBondContact O-N 3.41Å; L136-S140 VanDerWaalsContact O-N 3.13Å; L136-S140 PolarHBondContact O-OG 3.27Å; E137-S140 WeakPolarHBondContact CA-OG 3.46Å; E137-S140 PolarHBondContact O-OG 2.91Å; A138-S140 VanDerWaalsContact C-N 3.27Å; A138-S140 PolarHBondContact O-N 2.91Å; S140-H142 PolarHBondContact OG-ND1 3.36Å
141G78.2Confident87.7Confident36 Ų3651.7 Ų51.737%0.37127%0.272SS..THydrogen-bonded Turntrans82.19.7177.800000114.6E137 A138E137-G141 PolarHBondContact O-N 2.93Å; A138-G141 PolarHBondContact O-N 3.4Å
142H79.4Confident87.7Confident148 Ų14855.1 Ų55.169%0.68529%0.286SS*.  trans-77.3-27.1177.4-61.8120.6000112.8E137 S140E137-H142 WeakPolarHBondContact O-CB 3.22Å; E137-H142 PolarHBondContact O-N 3.12Å; S140-H142 PolarHBondContact OG-ND1 3.36Å
143L79Confident87.8Confident57 Ų5755.1 Ų55.130%0.29829%0.286SS..SBendtrans-101150174.1-57.3178.6000111.7M134 E137 A138M134-L143 HydrophobicContact CB-CD1 4.34Å; M134-L143 VanDerWaalsContact O-CD1 3.29Å; M134-L143 WeakPolarHBondContact O-CD1 3.49Å; E137-L143 HydrophobicContact CB-CD1 4.08Å; E137-L143 HydrophobicContact CB-CG 4.1Å; A138-L143 HydrophobicContact CB-CB 3.99Å; A138-L143 HydrophobicContact CB-CD1 4.15Å; A138-L143 HydrophobicContact CB-CG 4.47Å
144N70.9Confident87.9Confident106 Ų10650.8 Ų50.857%0.56727%0.266SS*.SBendtrans-71.2-33.8179.9-68.9-18.3000112.7R19R19-N144 PolarHBondContact NH2-OD1 2.96Å
145E83.3Confident87.9Confident105 Ų10548 Ų4849%0.49125%0.253SS..SBendtrans-130146.9-174-63.5-171.9179.100110.4Q16Q16-E145 PolarHBondContact NE2-OE1 2.84Å
146V88.4Confident88Confident23 Ų2348.5 Ų48.514%0.13926%0.256CS..  trans-81.3125.9174.6-179.80000108.6L135 A138 E148 V151 P200 P758L135-V146 HydrophobicContact CD1-CG1 3.69Å; A138-V146 HydrophobicContact CB-CG2 4.45Å; V146-E148 PolarHBondContact O-N 3.04Å; V146-V151 HydrophobicContact CG1-CG2 3.69Å; V146-P200 HydrophobicContact CG1-CB 4.01Å; V146-P200 HydrophobicContact CG1-CG 4.17Å; V146-P200 HydrophobicContact CG2-CB 4.36Å; V146-P758 HydrophobicContact CG2-CG 3.74Å
147P91.1Very high88.1Confident22 Ų2246.4 Ų46.414%0.14325%0.245CC..  trans-62107.4177-2232.3000111.8M134 D149 S150 V151M134-P147 HydrophobicContact CB-CG 4.24Å; P147-D149 VanDerWaalsContact C-N 3.29Å; P147-D149 WeakPolarHBondContact CB-OD1 3.42Å; P147-D149 PolarHBondContact O-N 3.17Å; P147-S150 PolarHBondContact O-N 2.89Å; P147-V151 PolarHBondContact O-N 2.99Å
148E88.6Confident88.2Confident139 Ų13943.4 Ų43.465%0.6523%0.231SC*.Hα-helixtrans-65.9-32.4-175.3-68.8-171.318000112.4V146 V151 Q152 K692V146-E148 PolarHBondContact O-N 3.04Å; E148-V151 PolarHBondContact O-N 3.06Å; E148-Q152 WeakPolarHBondContact O-CB 3.33Å; E148-Q152 PolarHBondContact O-N 3.34Å; E148-K692 IonicContact OE1-NZ 3.47Å
149D91.3Very high88.3Confident68 Ų6845 Ų4536%0.36424%0.237SC..Hα-helixtrans-64.1-43.8174.859.5-20.9000112.1P147 Q152 A153P147-D149 VanDerWaalsContact C-N 3.29Å; P147-D149 WeakPolarHBondContact CB-OD1 3.42Å; P147-D149 PolarHBondContact O-N 3.17Å; D149-Q152 PolarHBondContact O-N 2.93Å; D149-A153 WeakPolarHBondContact O-CB 3.43Å; D149-A153 PolarHBondContact O-N 3.01Å
150S93.8Very high88.5Confident0 Ų045.1 Ų45.10%024%0.238CC..Hα-helixtrans-63.7-41.8174.4-59.90000112V130 S131 P147 A153 L154V130-S150 VanDerWaalsContact CG1-CA 3.46Å; V130-S150 VanDerWaalsContact CG1-OG 3.3Å; V130-S150 WeakPolarHBondContact CG1-OG 3.38Å; S131-S150 PolarHBondContact O-OG 3.19Å; P147-S150 PolarHBondContact O-N 2.89Å; S150-A153 PolarHBondContact O-N 2.85Å; S150-L154 WeakPolarHBondContact O-CG 3.27Å; S150-L154 PolarHBondContact O-N 3.37Å; S150-L154 VanDerWaalsContact O-N 3.16Å
151V92.8Very high88.7Confident27 Ų2744 Ų4416%0.16423%0.228CC..Hα-helixtrans-64.6-41174.8177.50000111L135 V146 P147 E148 L154 D155 M205L135-V151 HydrophobicContact CD1-CG2 3.93Å; V146-V151 HydrophobicContact CG1-CG2 3.69Å; P147-V151 PolarHBondContact O-N 2.99Å; E148-V151 PolarHBondContact O-N 3.06Å; V151-L154 PolarHBondContact O-N 3.12Å; V151-D155 PolarHBondContact O-N 2.8Å; V151-M205 HydrophobicContact CG1-CE 4.32Å; V151-M205 HydrophobicContact CG2-CE 4.14Å
152Q93.2Very high89.2Confident90 Ų9042.3 Ų42.342%0.42121%0.211SC..Hα-helixtrans-64.7-43.2177.1-179.2178.4-9.100112E148 D149 L154 D155 V156E148-Q152 WeakPolarHBondContact O-CB 3.33Å; E148-Q152 PolarHBondContact O-N 3.34Å; D149-Q152 PolarHBondContact O-N 2.93Å; Q152-L154 VanDerWaalsContact C-N 3.33Å; Q152-L154 PolarHBondContact O-N 2.88Å; Q152-D155 PolarHBondContact O-N 3.25Å; Q152-V156 WeakPolarHBondContact O-CG2 3.09Å; Q152-V156 PolarHBondContact O-N 3.2Å
153A94.7Very high89.8Confident0 Ų035.6 Ų35.60%018%0.181CC..Hα-helixtrans-57.1-47.7176.300000110.7Y93 V130 D149 S150 D155 V156 I157Y93-A153 HydrophobicContact CD1-CB 3.98Å; Y93-A153 HydrophobicContact CE1-CB 3.78Å; Y93-A153 HydrophobicContact CE2-CB 4.41Å; Y93-A153 HydrophobicContact CG-CB 4.36Å; V130-A153 HydrophobicContact CG1-CB 4.22Å; D149-A153 WeakPolarHBondContact O-CB 3.43Å; D149-A153 PolarHBondContact O-N 3.01Å; S150-A153 PolarHBondContact O-N 2.85Å; A153-D155 PolarHBondContact O-N 2.94Å; A153-V156 PolarHBondContact O-N 2.96Å; A153-I157 WeakPolarHBondContact O-CD1 3.3Å; A153-I157 WeakPolarHBondContact O-CG1 3.41Å; A153-I157 PolarHBondContact O-N 3.36Å
154L93.3Very high90.2Very high1 Ų135.6 Ų35.61%0.00518%0.18CC..Hα-helixtrans-63.9-40176.7-68.3171.3000113.3I41 L132 L135 S150 V151 Q152 V156 I157 T158 V198 M205 I393I41-L154 HydrophobicContact CD1-CD1 3.49Å; I41-L154 VanDerWaalsContact CD1-CD1 3.49Å; I41-L154 HydrophobicContact CD1-CD2 4.41Å; I41-L154 HydrophobicContact CG1-CD1 4.34Å; I41-L154 HydrophobicContact CG1-CD2 4.42Å; I41-L154 HydrophobicContact CG2-CD2 4.49Å; L132-L154 HydrophobicContact CD1-CD2 4.45Å; L132-L154 HydrophobicContact CD2-CD1 4.43Å; L132-L154 HydrophobicContact CD2-CD2 4.31Å; L132-L154 HydrophobicContact CD2-CG 4.21Å; L135-L154 HydrophobicContact CD2-CD1 3.4Å; S150-L154 WeakPolarHBondContact O-CG 3.27Å; S150-L154 PolarHBondContact O-N 3.37Å; S150-L154 VanDerWaalsContact O-N 3.16Å; V151-L154 PolarHBondContact O-N 3.12Å; Q152-L154 VanDerWaalsContact C-N 3.33Å; Q152-L154 PolarHBondContact O-N 2.88Å; L154-V156 VanDerWaalsContact C-N 3.3Å; L154-V156 PolarHBondContact O-N 2.76Å; L154-I157 PolarHBondContact O-N 2.97Å; L154-T158 WeakPolarHBondContact O-CB 3.48Å; L154-T158 WeakPolarHBondContact O-CG2 3.43Å; L154-T158 PolarHBondContact O-N 3.23Å; L154-T158 PolarHBondContact O-OG1 3.28Å; L154-V198 HydrophobicContact CB-CG1 4.18Å; L154-M205 HydrophobicContact CD1-CE 4.3Å; L154-M205 HydrophobicContact CD1-CG 4.21Å; L154-I393 HydrophobicContact CD2-CD1 3.59Å; L154-I393 HydrophobicContact CD2-CG1 4.37Å
155D91.9Very high91Very high27 Ų2736.1 Ų36.114%0.14417%0.174CC..Hα-helixtrans-61.3-41173.8-170.173000111V151 Q152 A153 T158 R159V151-D155 PolarHBondContact O-N 2.8Å; Q152-D155 PolarHBondContact O-N 3.25Å; A153-D155 PolarHBondContact O-N 2.94Å; D155-T158 PolarHBondContact O-OG1 2.8Å; D155-R159 WeakPolarHBondContact O-CB 3.15Å; D155-R159 WeakPolarHBondContact O-CD 3.27Å; D155-R159 WeakPolarHBondContact O-CG 3.45Å; D155-R159 PolarHBondContact O-N 3.12Å; D155-R159 WeakPolarHBondContact OD1-CD 3.2Å; D155-R159 VanDerWaalsContact OD2-CD 3.3Å; D155-R159 WeakPolarHBondContact OD2-CD 3.24Å; D155-R159 IonicContact OD2-NH1 3.49Å; D155-R159 PolarHBondContact OD2-NH1 2.93Å
156V94.1Very high91.4Very high10 Ų1033.4 Ų33.46%0.06116%0.159CC..Hα-helixtrans-66.5-48.2178.8171.20000111.4Y86 D87 Y93 Q152 A153 L154 R159 H160Y86-V156 VanDerWaalsContact C-CG1 3.48Å; D87-V156 HydrophobicContact CB-CG1 4.1Å; D87-V156 HydrophobicContact CB-CG2 3.72Å; Y93-V156 HydrophobicContact CD2-CB 4.05Å; Y93-V156 HydrophobicContact CD2-CG1 3.8Å; Y93-V156 HydrophobicContact CE2-CB 3.9Å; Y93-V156 HydrophobicContact CE2-CG1 3.96Å; Y93-V156 HydrophobicContact CE2-CG2 4.02Å; Q152-V156 WeakPolarHBondContact O-CG2 3.09Å; Q152-V156 PolarHBondContact O-N 3.2Å; A153-V156 PolarHBondContact O-N 2.96Å; L154-V156 VanDerWaalsContact C-N 3.3Å; L154-V156 PolarHBondContact O-N 2.76Å; V156-R159 PolarHBondContact O-N 3.49Å; V156-H160 PolarHBondContact O-N 2.98Å; V156-H160 VanDerWaalsContact O-N 3.11Å
157I93.4Very high91.5Very high0 Ų033.9 Ų33.90%016%0.162CC..Hα-helixtrans-60.8-52.8-179-65.4157000110.1A153 L154 R159 H160 L388 F391 I393A153-I157 WeakPolarHBondContact O-CD1 3.3Å; A153-I157 WeakPolarHBondContact O-CG1 3.41Å; A153-I157 PolarHBondContact O-N 3.36Å; L154-I157 PolarHBondContact O-N 2.97Å; I157-R159 PolarHBondContact O-N 3.46Å; I157-R159 VanDerWaalsContact O-N 3.16Å; I157-H160 PolarHBondContact O-N 3.24Å; I157-L388 HydrophobicContact CG2-CD2 4.13Å; I157-F391 HydrophobicContact CD1-CD1 3.43Å; I157-F391 VanDerWaalsContact CD1-CD1 3.43Å; I157-F391 HydrophobicContact CD1-CD2 4.48Å; I157-F391 HydrophobicContact CD1-CE1 3.39Å; I157-F391 HydrophobicContact CD1-CE2 4.44Å; I157-F391 HydrophobicContact CD1-CG 3.98Å; I157-F391 HydrophobicContact CD1-CZ 3.91Å; I157-F391 HydrophobicContact CG1-CD1 4.17Å; I157-F391 HydrophobicContact CG1-CD2 4.42Å; I157-F391 HydrophobicContact CG1-CE1 3.89Å; I157-F391 HydrophobicContact CG1-CE2 4.15Å; I157-F391 HydrophobicContact CG1-CG 4.4Å; I157-F391 HydrophobicContact CG1-CZ 3.85Å; I157-F391 HydrophobicContact CG2-CB 4.33Å; I157-F391 HydrophobicContact CG2-CD2 3.82Å; I157-F391 HydrophobicContact CG2-CE2 4.16Å; I157-F391 HydrophobicContact CG2-CG 3.98Å; I157-I393 HydrophobicContact CG2-CD1 3.91Å
158T90.9Very high91.6Very high6 Ų635.5 Ų35.54%0.03717%0.173CC..Hα-helixtrans-65-22.7-177.859.40000113.7L154 D155 Q196 V198 L388L154-T158 WeakPolarHBondContact O-CB 3.48Å; L154-T158 WeakPolarHBondContact O-CG2 3.43Å; L154-T158 PolarHBondContact O-N 3.23Å; L154-T158 PolarHBondContact O-OG1 3.28Å; D155-T158 PolarHBondContact O-OG1 2.8Å; T158-Q196 VanDerWaalsContact C-NE2 3.25Å; T158-Q196 PolarHBondContact O-NE2 3.1Å; T158-V198 HydrophobicContact CG2-CG2 3.89Å; T158-V198 VanDerWaalsContact OG1-CG2 3.29Å; T158-V198 WeakPolarHBondContact OG1-CG2 3.41Å; T158-L388 HydrophobicContact CG2-CD2 3.8Å
159R91.8Very high91.7Very high35 Ų3529.9 Ų29.913%0.13215%0.148CC..Hα-helixtrans-99.1-5.3-178-68.4-178.671.4-149.4-4.6113.7D155 V156 I157 S163 G170 F173D155-R159 WeakPolarHBondContact O-CB 3.15Å; D155-R159 WeakPolarHBondContact O-CD 3.27Å; D155-R159 WeakPolarHBondContact O-CG 3.45Å; D155-R159 PolarHBondContact O-N 3.12Å; D155-R159 WeakPolarHBondContact OD1-CD 3.2Å; D155-R159 VanDerWaalsContact OD2-CD 3.3Å; D155-R159 WeakPolarHBondContact OD2-CD 3.24Å; D155-R159 IonicContact OD2-NH1 3.49Å; D155-R159 PolarHBondContact OD2-NH1 2.93Å; V156-R159 PolarHBondContact O-N 3.49Å; I157-R159 PolarHBondContact O-N 3.46Å; I157-R159 VanDerWaalsContact O-N 3.16Å; R159-S163 WeakPolarHBondContact O-CB 3.33Å; R159-S163 PolarHBondContact O-N 3.07Å; R159-S163 PolarHBondContact O-OG 3.49Å; R159-G170 PolarHBondContact NH2-O 3.19Å; R159-F173 HydrophobicContact CB-CZ 4.02Å; R159-F173 HydrophobicContact CG-CE2 4.31Å; R159-F173 HydrophobicContact CG-CZ 4.13Å
160H92.1Very high91.6Very high8 Ų829.8 Ų29.84%0.03716%0.163CC..Hα-helixtrans-62.1-55.8-173.2-177.875.1000112.2R64 P84 Y86 V156 I157 S163 M164 Y387R64-H160 PolarHBondContact NH1-ND1 3.03Å; P84-H160 PolarHBondContact O-NE2 3.01Å; Y86-H160 PolarHBondContact N-ND1 2.93Å; Y86-H160 PolarHBondContact O-ND1 3.38Å; V156-H160 PolarHBondContact O-N 2.98Å; V156-H160 VanDerWaalsContact O-N 3.11Å; I157-H160 PolarHBondContact O-N 3.24Å; H160-S163 WeakPolarHBondContact O-CB 3.44Å; H160-S163 PolarHBondContact O-N 3.11Å; H160-M164 PolarHBondContact O-N 3.16Å; H160-Y387 AromaticContact CD2-CD1 3.44Å; H160-Y387 VanDerWaalsContact CD2-CD1 3.44Å; H160-Y387 WeakPolarHBondContact CD2-CD1 3.45Å; H160-Y387 AromaticContact CD2-CD2 3.79Å; H160-Y387 AromaticContact CD2-CE1 3.21Å; H160-Y387 WeakPolarHBondContact CD2-CE1 3.37Å; H160-Y387 AromaticContact CD2-CE2 3.59Å; H160-Y387 AromaticContact CD2-CG 3.72Å; H160-Y387 AromaticContact CD2-CZ 3.28Å; H160-Y387 AromaticContact NE2-CD1 3.91Å; H160-Y387 AromaticContact NE2-CE1 3.24Å; H160-Y387 WeakPolarHBondContact NE2-CE1 3.26Å; H160-Y387 AromaticContact NE2-CZ 3.33Å; H160-Y387 VanDerWaalsContact NE2-CZ 3.33Å; H160-Y387 PolarHBondContact NE2-OH 3.33Å
161L90.3Very high91.4Very high16 Ų1635.2 Ų35.28%0.08418%0.183CC..Hα-helixtrans-63.9-47.8179.7179.266.4000113.1S163 M164 R165 M380 D385 Y387L161-S163 PolarHBondContact O-N 3.23Å; L161-M164 PolarHBondContact O-N 3.39Å; L161-R165 HydrophobicContact CD1-CG 4.1Å; L161-R165 HydrophobicContact CG-CG 4.45Å; L161-R165 PolarHBondContact O-N 3.45Å; L161-M380 HydrophobicContact CD2-CB 4.46Å; L161-M380 HydrophobicContact CD2-SD 4.08Å; L161-D385 WeakPolarHBondContact CB-OD2 3.21Å; L161-D385 HydrophobicContact CD2-CB 4.33Å; L161-D385 WeakPolarHBondContact CD2-OD2 3.47Å; L161-Y387 HydrophobicContact CB-CD2 3.98Å; L161-Y387 HydrophobicContact CB-CE2 4.25Å; L161-Y387 HydrophobicContact CD1-CE2 4.2Å
162P89.6Confident91.4Very high0 Ų034.5 Ų34.50%018%0.179CC..Hα-helixtrans-57.3-33.7174-27.635.2000113.6M164 R165 Y166 F173 F194 M380P162-M164 VanDerWaalsContact C-N 3.25Å; P162-M164 PolarHBondContact O-N 2.83Å; P162-R165 PolarHBondContact O-N 3.43Å; P162-Y166 HydrophobicContact CB-CD2 4.12Å; P162-Y166 WeakPolarHBondContact O-CB 3.5Å; P162-Y166 WeakPolarHBondContact O-CD2 3.5Å; P162-Y166 PolarHBondContact O-N 3Å; P162-F173 HydrophobicContact CB-CD1 3.96Å; P162-F173 HydrophobicContact CB-CD2 3.83Å; P162-F173 HydrophobicContact CB-CE1 3.87Å; P162-F173 HydrophobicContact CB-CE2 3.69Å; P162-F173 HydrophobicContact CB-CG 3.94Å; P162-F173 HydrophobicContact CB-CZ 3.71Å; P162-F173 HydrophobicContact CG-CE2 4.49Å; P162-F194 HydrophobicContact CB-CZ 4.31Å; P162-M380 HydrophobicContact CG-CE 4.14Å
163S90.8Very high91.4Very high8 Ų830.2 Ų30.26%0.05616%0.159CC..Hα-helixtrans-70.6-20.6178.5-61.60000114R64 R159 H160 L161 F173R64-S163 VanDerWaalsContact CZ-CB 3.44Å; R159-S163 WeakPolarHBondContact O-CB 3.33Å; R159-S163 PolarHBondContact O-N 3.07Å; R159-S163 PolarHBondContact O-OG 3.49Å; H160-S163 WeakPolarHBondContact O-CB 3.44Å; H160-S163 PolarHBondContact O-N 3.11Å; L161-S163 PolarHBondContact O-N 3.23Å; S163-F173 WeakPolarHBondContact OG-CE1 3.13Å
164M88.6Confident91.3Very high57 Ų5730.4 Ų30.428%0.28116%0.16SC..Hα-helixtrans-88.6-39.2174.5-68-60.8-75.600112R64 D68 H160 L161 P162R64-M164 HydrophobicContact CB-CE 4.4Å; R64-M164 HydrophobicContact CB-SD 3.38Å; R64-M164 WeakPolarHBondContact CB-SD 3.43Å; R64-M164 HydrophobicContact CG-SD 4.21Å; D68-M164 HydrophobicContact CB-CE 3.97Å; H160-M164 PolarHBondContact O-N 3.16Å; L161-M164 PolarHBondContact O-N 3.39Å; P162-M164 VanDerWaalsContact C-N 3.25Å; P162-M164 PolarHBondContact O-N 2.83Å
165R87.9Confident91.2Very high117 Ų11732.3 Ų32.344%0.44217%0.173SC..Hα-helixtrans-79.4-38.3-176.4-70.8-175.8170.1-179.4-3.2113.5L161 P162 M380L161-R165 HydrophobicContact CD1-CG 4.1Å; L161-R165 HydrophobicContact CG-CG 4.45Å; L161-R165 PolarHBondContact O-N 3.45Å; P162-R165 PolarHBondContact O-N 3.43Å; R165-M380 PolarHBondContact NH1-O 2.65Å
166Y90.9Very high91.1Very high48 Ų4834.2 Ų34.219%0.18819%0.187CC..SBendtrans-112.9173.1-172.3-57.2-65.8000112.4P162 P168 F173 F194P162-Y166 HydrophobicContact CB-CD2 4.12Å; P162-Y166 WeakPolarHBondContact O-CB 3.5Å; P162-Y166 WeakPolarHBondContact O-CD2 3.5Å; P162-Y166 PolarHBondContact O-N 3Å; Y166-P168 WeakPolarHBondContact O-CD 3.36Å; Y166-F173 HydrophobicContact CD2-CB 4.06Å; Y166-F173 HydrophobicContact CG-CB 4.14Å; Y166-F194 AromaticContact CD2-CE1 4Å; Y166-F194 HydrophobicContact CD2-CE1 4Å; Y166-F194 HydrophobicContact CD2-CZ 4.12Å; Y166-F194 AromaticContact CE2-CE1 3.76Å; Y166-F194 HydrophobicContact CE2-CE1 3.76Å; Y166-F194 AromaticContact CE2-CZ 3.96Å; Y166-F194 HydrophobicContact CE2-CZ 3.96Å
167T91.6Very high90.6Very high32 Ų3235.4 Ų35.420%0.19620%0.195CC..EExtended strand (participates in β ladder)trans-85.5109.9171.4-59.80000110F174 F216T167-F174 WeakPolarHBondContact CB-O 3.47Å; T167-F174 PolarHBondContact N-O 3.29Å; T167-F174 PolarHBondContact O-N 3.47Å; T167-F216 HydrophobicContact CG2-CE1 4.13Å; T167-F216 HydrophobicContact CG2-CZ 4.34Å
168P92.3Very high90.2Very high57 Ų5743.1 Ų43.137%0.3723%0.231SC..EExtended strand (participates in β ladder)trans-77.9130.7-177.1-13.932.4000110.9Y166 F173Y166-P168 WeakPolarHBondContact O-CD 3.36Å; P168-F173 HydrophobicContact CB-CD1 4.12Å; P168-F173 HydrophobicContact CB-CE1 4Å; P168-F173 HydrophobicContact CG-CD1 4.3Å; P168-F173 HydrophobicContact CG-CE1 4.22Å
169V90.3Very high89.7Confident21 Ų2147.4 Ų47.413%0.12728%0.276CS..EExtended strand (participates in β ladder)trans-132.698.4175.81760000108.3R171 S172 F174 F216 R343V169-R171 PolarHBondContact O-N 3.33Å; V169-S172 PolarHBondContact N-O 3.48Å; V169-S172 PolarHBondContact O-N 3.39Å; V169-F174 HydrophobicContact CB-CD2 3.79Å; V169-F174 HydrophobicContact CB-CE2 3.71Å; V169-F174 HydrophobicContact CG1-CE2 4.2Å; V169-F174 HydrophobicContact CG2-CD2 3.74Å; V169-F174 HydrophobicContact CG2-CE2 4.11Å; V169-F216 HydrophobicContact CG2-CZ 4.12Å; V169-R343 VanDerWaalsContact CG1-CD 3.47Å
170G88.6Confident89.3Confident65 Ų6549 Ų4967%0.6728%0.283SS*.THydrogen-bonded Turntrans64.6-119-173.800000111R159R159-G170 PolarHBondContact NH2-O 3.19Å
171R89.6Confident89Confident115 Ų11554.5 Ų54.543%0.43430%0.304SS..THydrogen-bonded Turntrans-99.311.7173.6-69.4-173175.6172.2-1.8113V169 H195 Q196 E688V169-R171 PolarHBondContact O-N 3.33Å; R171-H195 PolarHBondContact O-ND1 3.43Å; R171-Q196 PolarHBondContact O-N 3.31Å; R171-Q196 VanDerWaalsContact O-O 3.07Å; R171-E688 IonicContact NH1-OE2 3.66Å
172S93.3Very high89.1Confident11 Ų1156.6 Ų56.68%0.07731%0.314CS..EExtended strand (participates in β ladder)trans-114.2158.7177.4-51.70000112.2V169 F194V169-S172 PolarHBondContact N-O 3.48Å; V169-S172 PolarHBondContact O-N 3.39Å; S172-F194 CarbonylContact C-O 3.57Å; S172-F194 WeakPolarHBondContact CA-O 3.32Å; S172-F194 WeakPolarHBondContact CB-O 3.38Å
173F93Very high89.3Confident1 Ų159.1 Ų59.10%0.00433%0.33CS..EExtended strand (participates in β ladder)trans-126.4130.9-178.8-62.6-72.2000109.2R159 P162 S163 Y166 P168 G193 F194 Q196R159-F173 HydrophobicContact CB-CZ 4.02Å; R159-F173 HydrophobicContact CG-CE2 4.31Å; R159-F173 HydrophobicContact CG-CZ 4.13Å; P162-F173 HydrophobicContact CB-CD1 3.96Å; P162-F173 HydrophobicContact CB-CD2 3.83Å; P162-F173 HydrophobicContact CB-CE1 3.87Å; P162-F173 HydrophobicContact CB-CE2 3.69Å; P162-F173 HydrophobicContact CB-CG 3.94Å; P162-F173 HydrophobicContact CB-CZ 3.71Å; P162-F173 HydrophobicContact CG-CE2 4.49Å; S163-F173 WeakPolarHBondContact OG-CE1 3.13Å; Y166-F173 HydrophobicContact CD2-CB 4.06Å; Y166-F173 HydrophobicContact CG-CB 4.14Å; P168-F173 HydrophobicContact CB-CD1 4.12Å; P168-F173 HydrophobicContact CB-CE1 4Å; P168-F173 HydrophobicContact CG-CD1 4.3Å; P168-F173 HydrophobicContact CG-CE1 4.22Å; F173-G193 CarbonylContact O-C 3.58Å; F173-G193 WeakPolarHBondContact O-CA 3.45Å; F173-F194 HydrophobicContact CB-CD1 4.36Å; F173-F194 HydrophobicContact CB-CE1 3.92Å; F173-F194 HydrophobicContact CB-CE2 4.32Å; F173-F194 HydrophobicContact CB-CZ 3.9Å; F173-F194 HydrophobicContact CD2-CD2 4.25Å; F173-F194 AromaticContact CD2-CE2 3.62Å; F173-F194 HydrophobicContact CD2-CE2 3.62Å; F173-F194 AromaticContact CD2-CZ 3.86Å; F173-F194 HydrophobicContact CD2-CZ 3.86Å; F173-F194 HydrophobicContact CE2-CE2 4.42Å; F173-F194 HydrophobicContact CG-CE2 4.37Å; F173-F194 HydrophobicContact CG-CZ 4.2Å; F173-F194 PolarHBondContact N-O 3.29Å; F173-F194 PolarHBondContact O-N 3.4Å; F173-Q196 HydrophobicContact CD2-CB 4.35Å; F173-Q196 HydrophobicContact CE2-CB 4.04Å
174F93.7Very high89.4Confident4 Ų459.4 Ų59.42%0.01833%0.331CS..EExtended strand (participates in β ladder)trans-127.7147-175.6-64.9-85.9000111.4T167 V169 W191 T214 F216T167-F174 WeakPolarHBondContact CB-O 3.47Å; T167-F174 PolarHBondContact N-O 3.29Å; T167-F174 PolarHBondContact O-N 3.47Å; V169-F174 HydrophobicContact CB-CD2 3.79Å; V169-F174 HydrophobicContact CB-CE2 3.71Å; V169-F174 HydrophobicContact CG1-CE2 4.2Å; V169-F174 HydrophobicContact CG2-CD2 3.74Å; V169-F174 HydrophobicContact CG2-CE2 4.11Å; F174-W191 HydrophobicContact CB-CE3 4.17Å; F174-W191 HydrophobicContact CD1-CB 4.43Å; F174-T214 HydrophobicContact CD1-CG2 3.92Å; F174-T214 HydrophobicContact CD2-CG2 4.12Å; F174-T214 HydrophobicContact CE1-CG2 3.6Å; F174-T214 HydrophobicContact CE2-CG2 3.79Å; F174-T214 HydrophobicContact CG-CG2 4.18Å; F174-T214 HydrophobicContact CZ-CG2 3.52Å; F174-F216 HydrophobicContact CB-CE2 3.86Å; F174-F216 HydrophobicContact CB-CZ 3.85Å; F174-F216 HydrophobicContact CD1-CE2 4.26Å; F174-F216 HydrophobicContact CD2-CE2 4.34Å; F174-F216 HydrophobicContact CD2-CZ 4.36Å; F174-F216 AromaticContact CG-CE2 3.9Å; F174-F216 HydrophobicContact CG-CE2 3.9Å; F174-F216 HydrophobicContact CG-CZ 4.15Å
175S90.5Very high89.6Confident40 Ų4058 Ų5828%0.2833%0.331SS..  trans-121.9157.217556.30000111.1F192S175-F192 PolarHBondContact N-O 3.16Å
176P89.4Confident89.8Confident68 Ų6853.2 Ų53.244%0.44232%0.318SS..  trans-54.8150.8167.7-21.532.1000111.7E178 W191P176-E178 PolarHBondContact O-N 2.89Å; P176-W191 HydrophobicContact CB-CH2 4.1Å; P176-W191 HydrophobicContact CB-CZ2 4.07Å; P176-W191 HydrophobicContact CG-CH2 3.65Å; P176-W191 HydrophobicContact CG-CZ2 4.13Å; P176-W191 HydrophobicContact CG-CZ3 4.08Å
177P85.4Confident90Very high34 Ų3450.9 Ų50.922%0.22131%0.309CS..  trans-61126.1173.2-23.834.9000112.7Y180P177-Y180 VanDerWaalsContact CA-CZ 3.45Å; P177-Y180 WeakPolarHBondContact CA-OH 3.42Å; P177-Y180 HydrophobicContact CB-CD2 3.87Å; P177-Y180 HydrophobicContact CB-CE1 4.25Å; P177-Y180 HydrophobicContact CB-CE2 3.43Å; P177-Y180 VanDerWaalsContact CB-CE2 3.43Å; P177-Y180 HydrophobicContact CB-CG 4.42Å; P177-Y180 VanDerWaalsContact CB-O 3.28Å; P177-Y180 WeakPolarHBondContact CB-O 3.4Å; P177-Y180 HydrophobicContact CG-CE2 3.79Å
178E83.4Confident90.2Very high162 Ų16249.6 Ų49.676%0.75730%0.3SS*.SBendtrans-124.6119.7171.6-70.5-179.9-171.500108.1P176 Y180P176-E178 PolarHBondContact O-N 2.89Å; E178-Y180 WeakPolarHBondContact O-CD1 3.27Å; E178-Y180 PolarHBondContact O-N 2.99Å
179G80.6Confident90.3Very high96 Ų9647.9 Ų47.999%0.9929%0.287SS*.SBendtrans73.66.4-179.500000115.8
180Y84.3Confident90.6Very high68 Ų6846.9 Ų46.927%0.26728%0.281SS..  trans-142.6154.2172.367.2-94000111.7P177 E178 H182 F192P177-Y180 VanDerWaalsContact CA-CZ 3.45Å; P177-Y180 WeakPolarHBondContact CA-OH 3.42Å; P177-Y180 HydrophobicContact CB-CD2 3.87Å; P177-Y180 HydrophobicContact CB-CE1 4.25Å; P177-Y180 HydrophobicContact CB-CE2 3.43Å; P177-Y180 VanDerWaalsContact CB-CE2 3.43Å; P177-Y180 HydrophobicContact CB-CG 4.42Å; P177-Y180 VanDerWaalsContact CB-O 3.28Å; P177-Y180 WeakPolarHBondContact CB-O 3.4Å; P177-Y180 HydrophobicContact CG-CE2 3.79Å; E178-Y180 WeakPolarHBondContact O-CD1 3.27Å; E178-Y180 PolarHBondContact O-N 2.99Å; Y180-H182 AromaticContact CD2-CD2 3.66Å; Y180-F192 HydrophobicContact CD2-CD2 4.17Å; Y180-F192 HydrophobicContact CD2-CE2 4.29Å; Y180-F192 HydrophobicContact CE1-CD2 4.24Å; Y180-F192 AromaticContact CE2-CD2 3.55Å; Y180-F192 HydrophobicContact CE2-CD2 3.55Å; Y180-F192 HydrophobicContact CE2-CE2 4.05Å; Y180-F192 AromaticContact CZ-CD2 3.59Å; Y180-F192 PolarHBondContact OH-N 3Å
181Y86.3Confident90.9Very high125 Ų12544.1 Ų44.149%0.4925%0.251SS..  trans-141.3118.3178.1-179.3-122.3000111.3P183 R218Y181-P183 HydrophobicContact CD1-CG 4.24Å; Y181-P183 HydrophobicContact CE1-CB 4.2Å; Y181-P183 HydrophobicContact CE1-CG 3.63Å; Y181-P183 HydrophobicContact CE2-CB 4.34Å; Y181-R218 PolarHBondContact OH-NH1 3.34Å; Y181-R218 PolarHBondContact OH-NH2 3.09Å; Y181-R218 VanDerWaalsContact OH-NH2 3.07Å
182H91.9Very high91.1Very high60 Ų6040.8 Ų40.828%0.27824%0.239SC..  trans-132.280-177.9-66.2-50.9000111Y180 E189 V190 F192Y180-H182 AromaticContact CD2-CD2 3.66Å; H182-E189 WeakPolarHBondContact O-CA 3.3Å; H182-V190 HydrophobicContact CB-CB 3.97Å; H182-V190 HydrophobicContact CB-CG2 4.1Å; H182-V190 PolarHBondContact O-N 2.61Å; H182-F192 AromaticContact CD2-CE2 3.7Å
183P93Very high91Very high52 Ų5240.9 Ų40.934%0.33824%0.242SC..BIsolated β-bridgetrans-69.1140.8174.929-33.5000110.5Y181Y181-P183 HydrophobicContact CD1-CG 4.24Å; Y181-P183 HydrophobicContact CE1-CB 4.2Å; Y181-P183 HydrophobicContact CE1-CG 3.63Å; Y181-P183 HydrophobicContact CE2-CB 4.34Å
184L93.6Very high91.1Very high14 Ų1441.2 Ų41.27%0.07324%0.244CC..  trans-99.3-15.4172.4-62.6177000111.7R188 V190 A215 L348 Q352 T355 M356L184-R188 HydrophobicContact CB-CB 4.07Å; L184-R188 HydrophobicContact CD1-CB 4.4Å; L184-R188 PolarHBondContact N-O 2.99Å; L184-V190 HydrophobicContact CD1-CG2 4Å; L184-V190 HydrophobicContact CD2-CG2 3.64Å; L184-V190 HydrophobicContact CG-CG2 3.85Å; L184-A215 HydrophobicContact CD1-CB 3.75Å; L184-L348 HydrophobicContact CD1-CD1 4.38Å; L184-L348 HydrophobicContact CD1-CD2 4.48Å; L184-Q352 HydrophobicContact CB-CB 4.46Å; L184-Q352 HydrophobicContact CB-CG 4.14Å; L184-Q352 VanDerWaalsContact O-CG 3.23Å; L184-Q352 WeakPolarHBondContact O-CG 3.43Å; L184-T355 HydrophobicContact CD2-CG2 3.96Å; L184-M356 HydrophobicContact CD2-CB 3.96Å
185G91.8Very high91.1Very high29 Ų2941.4 Ų41.430%0.29925%0.245SC..SBendtrans80.5162.9-169.700000112.5G187 Q352G185-G187 VanDerWaalsContact C-N 3.32Å; G185-Q352 PolarHBondContact O-NE2 2.72Å
186G92.7Very high91.2Very high15 Ų1539.8 Ų39.816%0.15523%0.233CC..SBendtrans67.131.2-174.800000113.5E228G186-E228 PolarHBondContact N-OE2 3.32Å
187G94.3Very high91.3Very high0 Ų036.7 Ų36.70%021%0.213CC..SBendtrans75.323.9178.900000114.5G185 Y217 R218 E228G185-G187 VanDerWaalsContact C-N 3.32Å; G187-Y217 WeakPolarHBondContact O-CA 3.22Å; G187-R218 PolarHBondContact O-N 3.3Å; G187-E228 VanDerWaalsContact CA-OE2 3.25Å; G187-E228 WeakPolarHBondContact CA-OE2 3.45Å; G187-E228 PolarHBondContact N-OE2 3.49Å
188R96.1Very high91.5Very high4 Ų435.5 Ų35.52%0.01521%0.205CC..EExtended strand (participates in β ladder)trans-122.6148.9-173.1-59.8169.1-166.1-178.5-4.5111L184 F216 Y217 E253L184-R188 HydrophobicContact CB-CB 4.07Å; L184-R188 HydrophobicContact CD1-CB 4.4Å; L184-R188 PolarHBondContact N-O 2.99Å; R188-F216 CarbonylContact C-O 3.47Å; R188-F216 VanDerWaalsContact CA-O 3.3Å; R188-F216 WeakPolarHBondContact CA-O 3.27Å; R188-Y217 HydrophobicContact CG-CD1 4.14Å; R188-Y217 HydrophobicContact CG-CE1 4.13Å; R188-E253 IonicContact CZ-OE2 3.58Å; R188-E253 IonicContact NH2-OE1 2.73Å; R188-E253 PolarHBondContact NH2-OE1 2.65Å; R188-E253 IonicContact NH2-OE2 2.84Å; R188-E253 PolarHBondContact NH2-OE2 3.12Å
189E95.5Very high91.9Very high21 Ų2129.5 Ų29.510%0.09818%0.175CC..EExtended strand (participates in β ladder)trans-142.9166.3177.163.9-177.9179.300111.5H182 W191 A215 F216 R218H182-E189 WeakPolarHBondContact O-CA 3.3Å; E189-W191 PolarHBondContact OE1-NE1 3.27Å; E189-A215 CarbonylContact O-C 3.51Å; E189-A215 WeakPolarHBondContact O-CA 3.28Å; E189-F216 PolarHBondContact N-O 3.22Å; E189-F216 PolarHBondContact O-N 3.36Å; E189-R218 HydrophobicContact CB-CG 3.76Å; E189-R218 HydrophobicContact CG-CG 3.69Å
190V95.9Very high92.5Very high0 Ų026 Ų260%014%0.135CC..EExtended strand (participates in β ladder)trans-92.8126176.3-175.70000110.2H182 L184 F192 A213 T360H182-V190 HydrophobicContact CB-CB 3.97Å; H182-V190 HydrophobicContact CB-CG2 4.1Å; H182-V190 PolarHBondContact O-N 2.61Å; L184-V190 HydrophobicContact CD1-CG2 4Å; L184-V190 HydrophobicContact CD2-CG2 3.64Å; L184-V190 HydrophobicContact CG-CG2 3.85Å; V190-F192 HydrophobicContact CG1-CE2 4.36Å; V190-F192 HydrophobicContact CG1-CZ 4.47Å; V190-A213 HydrophobicContact CG1-CB 3.97Å; V190-T360 HydrophobicContact CG1-CG2 4.07Å
191W94.9Very high92.8Very high8 Ų822.8 Ų22.83%0.0312%0.123CC..EExtended strand (participates in β ladder)trans-104.6134.2164.5-68.416.9000109.5F174 P176 E189 A213 T214 F216 G341F174-W191 HydrophobicContact CB-CE3 4.17Å; F174-W191 HydrophobicContact CD1-CB 4.43Å; P176-W191 HydrophobicContact CB-CH2 4.1Å; P176-W191 HydrophobicContact CB-CZ2 4.07Å; P176-W191 HydrophobicContact CG-CH2 3.65Å; P176-W191 HydrophobicContact CG-CZ2 4.13Å; P176-W191 HydrophobicContact CG-CZ3 4.08Å; E189-W191 PolarHBondContact OE1-NE1 3.27Å; W191-A213 WeakPolarHBondContact O-CA 3.24Å; W191-T214 PolarHBondContact N-O 3.37Å; W191-T214 PolarHBondContact O-N 3.35Å; W191-F216 HydrophobicContact CB-CD2 3.44Å; W191-F216 VanDerWaalsContact CB-CD2 3.44Å; W191-F216 HydrophobicContact CB-CE2 3.7Å; W191-F216 HydrophobicContact CB-CG 4.27Å; W191-F216 HydrophobicContact CD2-CB 3.95Å; W191-F216 AromaticContact CD2-CD1 3.88Å; W191-F216 HydrophobicContact CD2-CD1 3.88Å; W191-F216 AromaticContact CD2-CD2 3.58Å; W191-F216 HydrophobicContact CD2-CD2 3.58Å; W191-F216 HydrophobicContact CD2-CE1 4.26Å; W191-F216 AromaticContact CD2-CE2 3.93Å; W191-F216 HydrophobicContact CD2-CE2 3.93Å; W191-F216 AromaticContact CD2-CG 3.53Å; W191-F216 HydrophobicContact CD2-CG 3.53Å; W191-F216 HydrophobicContact CD2-CZ 4.28Å; W191-F216 AromaticContact CE2-CG 3.89Å; W191-F216 AromaticContact CE3-CD1 3.84Å; W191-F216 HydrophobicContact CE3-CD1 3.84Å; W191-F216 AromaticContact CE3-CD2 3.91Å; W191-F216 HydrophobicContact CE3-CD2 3.91Å; W191-F216 AromaticContact CE3-CE1 3.76Å; W191-F216 HydrophobicContact CE3-CE1 3.76Å; W191-F216 AromaticContact CE3-CE2 3.78Å; W191-F216 HydrophobicContact CE3-CE2 3.78Å; W191-F216 AromaticContact CE3-CG 3.92Å; W191-F216 HydrophobicContact CE3-CG 3.92Å; W191-F216 AromaticContact CE3-CZ 3.73Å; W191-F216 HydrophobicContact CE3-CZ 3.73Å; W191-F216 HydrophobicContact CG-CB 3.9Å; W191-F216 HydrophobicContact CG-CD1 4.48Å; W191-F216 AromaticContact CG-CD2 3.36Å; W191-F216 HydrophobicContact CG-CD2 3.36Å; W191-F216 AromaticContact CG-CE2 3.92Å; W191-F216 HydrophobicContact CG-CE2 3.92Å; W191-F216 AromaticContact CG-CG 3.68Å; W191-F216 HydrophobicContact CG-CG 3.68Å; W191-F216 HydrophobicContact CH2-CD1 4.41Å; W191-F216 HydrophobicContact CZ2-CD1 4.42Å; W191-F216 HydrophobicContact CZ3-CD1 4.11Å; W191-F216 AromaticContact CZ3-CE1 3.98Å; W191-F216 HydrophobicContact CZ3-CE1 3.98Å; W191-F216 HydrophobicContact CZ3-CZ 4.31Å; W191-G341 VanDerWaalsContact CH2-CA 3.43Å
192F92.8Very high92.9Very high44 Ų4418 Ų1819%0.19311%0.105CC..EExtended strand (participates in β ladder)trans-89.3160.6169.3-71.9-81.7000110.5S175 Y180 H182 V190 S212 A213 T360S175-F192 PolarHBondContact N-O 3.16Å; Y180-F192 HydrophobicContact CD2-CD2 4.17Å; Y180-F192 HydrophobicContact CD2-CE2 4.29Å; Y180-F192 HydrophobicContact CE1-CD2 4.24Å; Y180-F192 AromaticContact CE2-CD2 3.55Å; Y180-F192 HydrophobicContact CE2-CD2 3.55Å; Y180-F192 HydrophobicContact CE2-CE2 4.05Å; Y180-F192 AromaticContact CZ-CD2 3.59Å; Y180-F192 PolarHBondContact OH-N 3Å; H182-F192 AromaticContact CD2-CE2 3.7Å; V190-F192 HydrophobicContact CG1-CE2 4.36Å; V190-F192 HydrophobicContact CG1-CZ 4.47Å; F192-S212 CarbonylContact C-O 3.45Å; F192-S212 WeakPolarHBondContact CA-O 3.34Å; F192-A213 HydrophobicContact CD1-CB 3.76Å; F192-A213 HydrophobicContact CE1-CB 3.83Å; F192-T360 HydrophobicContact CE1-CG2 4Å; F192-T360 HydrophobicContact CZ-CG2 4.14Å
193G92.9Very high92.4Very high14 Ų1423.4 Ų23.414%0.14412%0.123CC..EExtended strand (participates in β ladder)trans-178.2-162.4-175.900000110.3F173 S212F173-G193 CarbonylContact O-C 3.58Å; F173-G193 WeakPolarHBondContact O-CA 3.45Å; G193-S212 PolarHBondContact N-O 3.38Å; G193-S212 PolarHBondContact O-N 2.84Å; G193-S212 VanDerWaalsContact O-O 3.11Å
194F93.3Very high92.3Very high7 Ų723.2 Ų23.23%0.03112%0.119CC..EExtended strand (participates in β ladder)trans-141.9145.3-179.363.6-85000111.9P162 Y166 S172 F173 Q196 D210 L374P162-F194 HydrophobicContact CB-CZ 4.31Å; Y166-F194 AromaticContact CD2-CE1 4Å; Y166-F194 HydrophobicContact CD2-CE1 4Å; Y166-F194 HydrophobicContact CD2-CZ 4.12Å; Y166-F194 AromaticContact CE2-CE1 3.76Å; Y166-F194 HydrophobicContact CE2-CE1 3.76Å; Y166-F194 AromaticContact CE2-CZ 3.96Å; Y166-F194 HydrophobicContact CE2-CZ 3.96Å; S172-F194 CarbonylContact C-O 3.57Å; S172-F194 WeakPolarHBondContact CA-O 3.32Å; S172-F194 WeakPolarHBondContact CB-O 3.38Å; F173-F194 HydrophobicContact CB-CD1 4.36Å; F173-F194 HydrophobicContact CB-CE1 3.92Å; F173-F194 HydrophobicContact CB-CE2 4.32Å; F173-F194 HydrophobicContact CB-CZ 3.9Å; F173-F194 HydrophobicContact CD2-CD2 4.25Å; F173-F194 AromaticContact CD2-CE2 3.62Å; F173-F194 HydrophobicContact CD2-CE2 3.62Å; F173-F194 AromaticContact CD2-CZ 3.86Å; F173-F194 HydrophobicContact CD2-CZ 3.86Å; F173-F194 HydrophobicContact CE2-CE2 4.42Å; F173-F194 HydrophobicContact CG-CE2 4.37Å; F173-F194 HydrophobicContact CG-CZ 4.2Å; F173-F194 PolarHBondContact N-O 3.29Å; F173-F194 PolarHBondContact O-N 3.4Å; F194-Q196 HydrophobicContact CD2-CB 4.28Å; F194-Q196 HydrophobicContact CE2-CB 4.23Å; F194-D210 CarbonylContact C-O 3.58Å; F194-D210 WeakPolarHBondContact CA-O 3.39Å; F194-L374 HydrophobicContact CB-CD2 3.37Å; F194-L374 HydrophobicContact CD1-CD1 4.23Å; F194-L374 HydrophobicContact CD1-CD2 4.34Å; F194-L374 HydrophobicContact CG-CD2 3.89Å
195H93.9Very high92.2Very high9 Ų922.6 Ų22.64%0.04212%0.116CC..EExtended strand (participates in β ladder)trans-82.4142.1164.517382.2000109.7R171 S197 I209 D210 H727R171-H195 PolarHBondContact O-ND1 3.43Å; H195-S197 PolarHBondContact NE2-OG 3.38Å; H195-I209 WeakPolarHBondContact O-CA 3.25Å; H195-D210 HydrophobicContact CB-CB 4.32Å; H195-D210 PolarHBondContact N-O 2.84Å; H195-D210 PolarHBondContact O-N 3.06Å; H195-H727 HydrophobicContact CB-CB 4.37Å; H195-H727 VanDerWaalsContact CB-ND1 3.31Å; H195-H727 WeakPolarHBondContact CB-ND1 3.4Å; H195-H727 WeakPolarHBondContact CD2-CB 3.19Å; H195-H727 AromaticContact CD2-CD2 3.68Å; H195-H727 AromaticContact CD2-CG 3.27Å; H195-H727 AromaticContact CD2-ND1 3.81Å; H195-H727 AromaticContact CE1-CD2 3.36Å; H195-H727 PolarHBondContact CE1-CD2 3.49Å; H195-H727 AromaticContact CE1-CG 3.8Å; H195-H727 AromaticContact CE1-NE2 3.92Å; H195-H727 AromaticContact CG-CD2 3.43Å; H195-H727 VanDerWaalsContact CG-CD2 3.43Å; H195-H727 AromaticContact CG-CE1 3.59Å; H195-H727 AromaticContact CG-CG 3.2Å; H195-H727 AromaticContact CG-ND1 3.34Å; H195-H727 VanDerWaalsContact CG-ND1 3.34Å; H195-H727 AromaticContact CG-NE2 3.71Å; H195-H727 AromaticContact ND1-CD2 3.24Å; H195-H727 PolarHBondContact ND1-CD2 3.16Å; H195-H727 AromaticContact ND1-CE1 3.69Å; H195-H727 AromaticContact ND1-CG 3.58Å; H195-H727 AromaticContact ND1-ND1 3.86Å; H195-H727 AromaticContact ND1-NE2 3.38Å; H195-H727 PolarHBondContact ND1-NE2 3.02Å; H195-H727 AromaticContact NE2-CD2 3.62Å; H195-H727 AromaticContact NE2-CG 3.65Å
196Q92.6Very high92.3Very high5 Ų521.4 Ų21.42%0.02310%0.103CC..EExtended strand (participates in β ladder)trans-137.9131.8172.6179.2-179.5-38.700109.5T158 R171 F173 F194 L207 N208 I209T158-Q196 VanDerWaalsContact C-NE2 3.25Å; T158-Q196 PolarHBondContact O-NE2 3.1Å; R171-Q196 PolarHBondContact O-N 3.31Å; R171-Q196 VanDerWaalsContact O-O 3.07Å; F173-Q196 HydrophobicContact CD2-CB 4.35Å; F173-Q196 HydrophobicContact CE2-CB 4.04Å; F194-Q196 HydrophobicContact CD2-CB 4.28Å; F194-Q196 HydrophobicContact CE2-CB 4.23Å; Q196-L207 HydrophobicContact CG-CD1 3.71Å; Q196-L207 HydrophobicContact CG-CG 4.47Å; Q196-N208 WeakPolarHBondContact CA-O 2.96Å; Q196-I209 HydrophobicContact CB-CD1 3.83Å; Q196-I209 HydrophobicContact CG-CD1 3.73Å
197S91.3Very high92.4Very high3 Ų321.6 Ų21.62%0.02110%0.1CC..EExtended strand (participates in β ladder)trans-151.7139.5167.654.20000110.7H195 N208H195-S197 PolarHBondContact NE2-OG 3.38Å; S197-N208 PolarHBondContact N-O 3.48Å; S197-N208 VanDerWaalsContact N-O 3.14Å; S197-N208 PolarHBondContact O-N 3.22Å
198V91.4Very high92.4Very high10 Ų1021.8 Ų21.86%0.06110%0.101CC..EExtended strand (participates in β ladder)trans-85136.1169.8177.60000108.8L154 T158 M205 M206 L207L154-V198 HydrophobicContact CB-CG1 4.18Å; T158-V198 HydrophobicContact CG2-CG2 3.89Å; T158-V198 VanDerWaalsContact OG1-CG2 3.29Å; T158-V198 WeakPolarHBondContact OG1-CG2 3.41Å; V198-M205 HydrophobicContact CG1-CE 3.3Å; V198-M206 CarbonylContact C-O 3.53Å; V198-M206 WeakPolarHBondContact CA-O 3.01Å; V198-L207 HydrophobicContact CG2-CD1 3.78Å
199R90.9Very high92.3Very high36 Ų3621.9 Ų21.914%0.13610%0.102CC..EExtended strand (participates in β ladder)trans-135.9135.7-178.1-59.3-172.970.6752.7111.2M205 M206 E688R199-M205 VanDerWaalsContact C-CE 3.47Å; R199-M206 PolarHBondContact N-O 3.11Å; R199-M206 PolarHBondContact O-N 3.28Å; R199-E688 IonicContact CZ-OE1 3.01Å; R199-E688 IonicContact CZ-OE2 2.77Å; R199-E688 VanDerWaalsContact NH1-CD 3.3Å; R199-E688 IonicContact NH1-OE1 2.55Å; R199-E688 PolarHBondContact NH1-OE1 2.8Å; R199-E688 VanDerWaalsContact NH1-OE1 3.15Å; R199-E688 IonicContact NH1-OE2 3.33Å; R199-E688 PolarHBondContact NH1-OE2 3.07Å; R199-E688 VanDerWaalsContact NH2-CD 3.29Å; R199-E688 IonicContact NH2-OE1 3.05Å; R199-E688 PolarHBondContact NH2-OE1 3.2Å; R199-E688 IonicContact NH2-OE2 3.59Å; R199-E688 PolarHBondContact NH2-OE2 3.39Å
200P92.4Very high92.3Very high22 Ų2220.9 Ų20.914%0.14310%0.097CC..EExtended strand (participates in β ladder)trans-67.1135.3164.230.7-33.4000109.2L139 V146 M205 P758L139-P200 HydrophobicContact CD2-CB 3.65Å; V146-P200 HydrophobicContact CG1-CB 4.01Å; V146-P200 HydrophobicContact CG1-CG 4.17Å; V146-P200 HydrophobicContact CG2-CB 4.36Å; P200-M205 WeakPolarHBondContact CA-SD 3.39Å; P200-M205 HydrophobicContact CB-CE 4.41Å; P200-M205 HydrophobicContact CB-SD 3.86Å; P200-P758 HydrophobicContact CB-CG 4.44Å
201A91.4Very high92.2Very high1 Ų122 Ų221%0.00810%0.104CC..  trans-134.7175171.600000109.2L139 W203 N204 M206 T754 T756L139-A201 VanDerWaalsContact CD2-O 3.28Å; L139-A201 WeakPolarHBondContact CD2-O 3.46Å; A201-W203 PolarHBondContact O-N 3.3Å; A201-N204 CarbonylContact C-O 3.57Å; A201-N204 PolarHBondContact N-O 2.88Å; A201-N204 VanDerWaalsContact N-O 3.08Å; A201-M206 HydrophobicContact CB-CE 4.35Å; A201-M206 HydrophobicContact CB-CG 3.58Å; A201-T754 VanDerWaalsContact CB-O 3.28Å; A201-T754 WeakPolarHBondContact CB-O 3.43Å; A201-T756 CarbonylContact C-O 3.6Å; A201-T756 VanDerWaalsContact CA-O 3.24Å; A201-T756 WeakPolarHBondContact CA-O 3.21Å
202M87.4Confident92Very high23 Ų2323 Ų2311%0.11311%0.112CC..SBendtrans-54.1125.8172.1-65.6-178.6177.400110.1R20 L23 N204 T756R20-M202 VanDerWaalsContact CZ-CE 3.44Å; L23-M202 HydrophobicContact CD2-CE 4.23Å; M202-N204 PolarHBondContact O-N 2.95Å; M202-T756 PolarHBondContact N-O 2.91Å; M202-T756 VanDerWaalsContact N-O 3.12Å
203W83Confident92Very high175 Ų17521.9 Ų21.966%0.66311%0.111SC*.SBendtrans72-30.3175-43.3104.2000116.9L139 A201L139-W203 WeakPolarHBondContact O-CA 3.44Å; L139-W203 PolarHBondContact O-N 3.4Å; A201-W203 PolarHBondContact O-N 3.3Å
204N89.1Confident92.1Very high48 Ų4822.2 Ų22.226%0.25711%0.11SC..SBendtrans-142157.6-172.7-65.1-81.2000112.5Q38 A201 M202 M206Q38-N204 HydrophobicContact CG-CB 4.07Å; Q38-N204 VanDerWaalsContact NE2-CG 3.28Å; Q38-N204 PolarHBondContact NE2-ND2 3.02Å; Q38-N204 PolarHBondContact NE2-OD1 3.11Å; A201-N204 CarbonylContact C-O 3.57Å; A201-N204 PolarHBondContact N-O 2.88Å; A201-N204 VanDerWaalsContact N-O 3.08Å; M202-N204 PolarHBondContact O-N 2.95Å; N204-M206 HydrophobicContact CB-CE 4.2Å
205M92.8Very high92.2Very high1 Ų122 Ų221%0.00511%0.11CC..EExtended strand (participates in β ladder)trans-77.2144161.3-68.1-57.7-68.500109.9V39 I41 L135 L139 V151 L154 V198 R199 P200V39-M205 HydrophobicContact CB-CB 4.05Å; V39-M205 PolarHBondContact N-O 2.91Å; I41-M205 HydrophobicContact CD1-CB 3.49Å; I41-M205 VanDerWaalsContact CD1-CB 3.49Å; I41-M205 HydrophobicContact CD1-CG 3.13Å; L135-M205 HydrophobicContact CD1-SD 4.13Å; L135-M205 HydrophobicContact CD2-CG 4.08Å; L135-M205 HydrophobicContact CD2-SD 4.01Å; L135-M205 HydrophobicContact CG-SD 4.3Å; L139-M205 HydrophobicContact CD1-CG 3.67Å; L139-M205 HydrophobicContact CD1-SD 3.77Å; L139-M205 HydrophobicContact CD2-SD 3.79Å; L139-M205 HydrophobicContact CG-SD 4.32Å; V151-M205 HydrophobicContact CG1-CE 4.32Å; V151-M205 HydrophobicContact CG2-CE 4.14Å; L154-M205 HydrophobicContact CD1-CE 4.3Å; L154-M205 HydrophobicContact CD1-CG 4.21Å; V198-M205 HydrophobicContact CG1-CE 3.3Å; R199-M205 VanDerWaalsContact C-CE 3.47Å; P200-M205 WeakPolarHBondContact CA-SD 3.39Å; P200-M205 HydrophobicContact CB-CE 4.41Å; P200-M205 HydrophobicContact CB-SD 3.86Å
206M93.9Very high92.3Very high4 Ų421.6 Ų21.62%0.0211%0.108CC..EExtended strand (participates in β ladder)trans-122.7131-178.5-62.8-65.8-17700110.5H36 Q38 V198 R199 A201 N204 T400H36-M206 HydrophobicContact CB-CB 4.15Å; H36-M206 HydrophobicContact CB-CG 4.36Å; H36-M206 HydrophobicContact CB-SD 4.27Å; Q38-M206 HydrophobicContact CB-SD 4.45Å; V198-M206 CarbonylContact C-O 3.53Å; V198-M206 WeakPolarHBondContact CA-O 3.01Å; R199-M206 PolarHBondContact N-O 3.11Å; R199-M206 PolarHBondContact O-N 3.28Å; A201-M206 HydrophobicContact CB-CE 4.35Å; A201-M206 HydrophobicContact CB-CG 3.58Å; N204-M206 HydrophobicContact CB-CE 4.2Å; M206-T400 HydrophobicContact CE-CG2 4.17Å
207L93.8Very high92.4Very high19 Ų1921.5 Ų21.510%0.09911%0.108CC..EExtended strand (participates in β ladder)trans-87.8110.2166.9-169.869.7000108.2F37 V39 Q196 V198 I209 V395F37-L207 HydrophobicContact CB-CB 4.34Å; F37-L207 WeakPolarHBondContact CD2-O 3.47Å; F37-L207 PolarHBondContact N-O 3.4Å; F37-L207 PolarHBondContact O-N 3.34Å; V39-L207 HydrophobicContact CG2-CB 3.69Å; Q196-L207 HydrophobicContact CG-CD1 3.71Å; Q196-L207 HydrophobicContact CG-CG 4.47Å; V198-L207 HydrophobicContact CG2-CD1 3.78Å; L207-I209 HydrophobicContact CD1-CD1 4.44Å; L207-I209 HydrophobicContact CD2-CD1 3.87Å; L207-I209 HydrophobicContact CD2-CG1 4.04Å; L207-I209 HydrophobicContact CG-CD1 3.82Å; L207-I209 HydrophobicContact CG-CG1 4Å; L207-V395 HydrophobicContact CB-CG1 4.32Å; L207-V395 HydrophobicContact CD2-CG1 3.77Å; L207-V395 HydrophobicContact CD2-CG2 4.28Å
208N94.9Very high92.6Very high3 Ų324 Ų242%0.01612%0.117CC..EExtended strand (participates in β ladder)trans-89.2114.5175.6177.7-124.4000110.4N35 H36 Q196 S197 H727N35-N208 PolarHBondContact ND2-ND2 3.04Å; N35-N208 PolarHBondContact O-ND2 3.04Å; N35-N208 PolarHBondContact OD1-ND2 2.9Å; N35-N208 VanDerWaalsContact OD1-ND2 3.17Å; H36-N208 PolarHBondContact CE1-ND2 2.72Å; H36-N208 PolarHBondContact ND1-ND2 3.11Å; Q196-N208 WeakPolarHBondContact CA-O 2.96Å; S197-N208 PolarHBondContact N-O 3.48Å; S197-N208 VanDerWaalsContact N-O 3.14Å; S197-N208 PolarHBondContact O-N 3.22Å; N208-H727 WeakPolarHBondContact OD1-CB 3.34Å
209I94.8Very high92.8Very high6 Ų626.6 Ų26.63%0.03114%0.139CC..EExtended strand (participates in β ladder)trans-116.2129.4-179.8-57.6-62.9000110.2N35 F37 H195 Q196 L207 I371 L374 V375N35-I209 WeakPolarHBondContact CB-O 3.38Å; N35-I209 PolarHBondContact ND2-O 2.93Å; N35-I209 PolarHBondContact O-N 2.96Å; F37-I209 HydrophobicContact CD2-CB 4.16Å; F37-I209 HydrophobicContact CD2-CG1 4.05Å; F37-I209 HydrophobicContact CE2-CB 3.91Å; F37-I209 HydrophobicContact CE2-CG1 4.27Å; H195-I209 WeakPolarHBondContact O-CA 3.25Å; Q196-I209 HydrophobicContact CB-CD1 3.83Å; Q196-I209 HydrophobicContact CG-CD1 3.73Å; L207-I209 HydrophobicContact CD1-CD1 4.44Å; L207-I209 HydrophobicContact CD2-CD1 3.87Å; L207-I209 HydrophobicContact CD2-CG1 4.04Å; L207-I209 HydrophobicContact CG-CD1 3.82Å; L207-I209 HydrophobicContact CG-CG1 4Å; I209-I371 HydrophobicContact CG2-CG2 4.37Å; I209-L374 HydrophobicContact CG2-CD2 3.67Å; I209-V375 HydrophobicContact CB-CG2 4.22Å; I209-V375 HydrophobicContact CG1-CG2 4.22Å; I209-V375 HydrophobicContact CG2-CG2 4.07Å
210D95.3Very high93Very high1 Ų125.2 Ų25.21%0.00513%0.134CC..EExtended strand (participates in β ladder)trans-139.5136.7175.3-173.119.7000110.3F194 H195 R367 H727 R729F194-D210 CarbonylContact C-O 3.58Å; F194-D210 WeakPolarHBondContact CA-O 3.39Å; H195-D210 HydrophobicContact CB-CB 4.32Å; H195-D210 PolarHBondContact N-O 2.84Å; H195-D210 PolarHBondContact O-N 3.06Å; D210-R367 IonicContact OD1-CZ 3.95Å; D210-R367 IonicContact OD1-NE 2.61Å; D210-R367 PolarHBondContact OD1-NE 2.86Å; D210-R367 IonicContact OD1-NH1 3.32Å; D210-R367 IonicContact OD1-NH2 3.79Å; D210-R367 PolarHBondContact OD1-NH2 2.97Å; D210-R367 IonicContact OD2-CZ 3.18Å; D210-R367 IonicContact OD2-NH2 3.11Å; D210-R367 PolarHBondContact OD2-NH2 3.17Å; D210-H727 HydrophobicContact CB-CB 4.04Å; D210-H727 IonicContact OD2-ND1 3.69Å; D210-R729 IonicContact OD2-CZ 3.92Å; D210-R729 IonicContact OD2-NE 3.94Å; D210-R729 PolarHBondContact OD2-NE 2.89Å; D210-R729 IonicContact OD2-NH2 3.59Å; D210-R729 PolarHBondContact OD2-NH2 3.48Å
211V93.3Very high93.3Very high23 Ų2326.4 Ų26.414%0.13914%0.142CC..EExtended strand (participates in β ladder)trans-65.8138.6172-65.40000110.4R367 E370 I371 L374V211-R367 HydrophobicContact CG2-CG 3.62Å; V211-R367 PolarHBondContact O-NH2 2.93Å; V211-E370 HydrophobicContact CG1-CB 4.12Å; V211-I371 HydrophobicContact CG1-CG1 3.95Å; V211-I371 HydrophobicContact CG2-CG1 4.23Å; V211-L374 HydrophobicContact CG1-CD2 4.29Å
212S90.9Very high93.5Very high28 Ų2826.4 Ų26.420%0.19614%0.142CC..EExtended strand (participates in β ladder)trans-136.2154.6-174.3-164.60000110.7F192 G193F192-S212 CarbonylContact C-O 3.45Å; F192-S212 WeakPolarHBondContact CA-O 3.34Å; G193-S212 PolarHBondContact N-O 3.38Å; G193-S212 PolarHBondContact O-N 2.84Å; G193-S212 VanDerWaalsContact O-O 3.11Å
213A92.6Very high94Very high22 Ų2226.1 Ų26.118%0.18214%0.14CC..EExtended strand (participates in β ladder)trans-141.8137.8175.700000109.7V190 W191 F192 M356 T360V190-A213 HydrophobicContact CG1-CB 3.97Å; W191-A213 WeakPolarHBondContact O-CA 3.24Å; F192-A213 HydrophobicContact CD1-CB 3.76Å; F192-A213 HydrophobicContact CE1-CB 3.83Å; A213-M356 VanDerWaalsContact O-CE 3.31Å; A213-M356 WeakPolarHBondContact O-CE 3.46Å; A213-T360 HydrophobicContact CB-CG2 3.33Å
214T94.4Very high94.6Very high20 Ų2022.6 Ų22.612%0.12313%0.132CC..EExtended strand (participates in β ladder)trans-143.9158.2176.2-170.10000110.9F174 W191 F216F174-T214 HydrophobicContact CD1-CG2 3.92Å; F174-T214 HydrophobicContact CD2-CG2 4.12Å; F174-T214 HydrophobicContact CE1-CG2 3.6Å; F174-T214 HydrophobicContact CE2-CG2 3.79Å; F174-T214 HydrophobicContact CG-CG2 4.18Å; F174-T214 HydrophobicContact CZ-CG2 3.52Å; W191-T214 PolarHBondContact N-O 3.37Å; W191-T214 PolarHBondContact O-N 3.35Å; T214-F216 HydrophobicContact CG2-CD2 3.81Å; T214-F216 HydrophobicContact CG2-CE2 3.29Å; T214-F216 HydrophobicContact CG2-CZ 4.23Å
215A95.2Very high95Very high4 Ų420.3 Ų20.33%0.03312%0.119CC..EExtended strand (participates in β ladder)trans-76.5134.9176.800000111.7L184 E189 C344 L348L184-A215 HydrophobicContact CD1-CB 3.75Å; E189-A215 CarbonylContact O-C 3.51Å; E189-A215 WeakPolarHBondContact O-CA 3.28Å; A215-C344 HydrophobicContact CB-CB 3.88Å; A215-C344 PolarHBondContact O-N 3.04Å; A215-L348 HydrophobicContact CB-CD1 4.28Å; A215-L348 HydrophobicContact CB-CD2 3.93Å
216F96.4Very high95.1Very high0 Ų020.3 Ų20.30%012%0.119CC..EExtended strand (participates in β ladder)trans-122.2156.7170.7-81.2-102.2000109.9T167 V169 F174 R188 E189 W191 T214 Q342 R343T167-F216 HydrophobicContact CG2-CE1 4.13Å; T167-F216 HydrophobicContact CG2-CZ 4.34Å; V169-F216 HydrophobicContact CG2-CZ 4.12Å; F174-F216 HydrophobicContact CB-CE2 3.86Å; F174-F216 HydrophobicContact CB-CZ 3.85Å; F174-F216 HydrophobicContact CD1-CE2 4.26Å; F174-F216 HydrophobicContact CD2-CE2 4.34Å; F174-F216 HydrophobicContact CD2-CZ 4.36Å; F174-F216 AromaticContact CG-CE2 3.9Å; F174-F216 HydrophobicContact CG-CE2 3.9Å; F174-F216 HydrophobicContact CG-CZ 4.15Å; R188-F216 CarbonylContact C-O 3.47Å; R188-F216 VanDerWaalsContact CA-O 3.3Å; R188-F216 WeakPolarHBondContact CA-O 3.27Å; E189-F216 PolarHBondContact N-O 3.22Å; E189-F216 PolarHBondContact O-N 3.36Å; W191-F216 HydrophobicContact CB-CD2 3.44Å; W191-F216 VanDerWaalsContact CB-CD2 3.44Å; W191-F216 HydrophobicContact CB-CE2 3.7Å; W191-F216 HydrophobicContact CB-CG 4.27Å; W191-F216 HydrophobicContact CD2-CB 3.95Å; W191-F216 AromaticContact CD2-CD1 3.88Å; W191-F216 HydrophobicContact CD2-CD1 3.88Å; W191-F216 AromaticContact CD2-CD2 3.58Å; W191-F216 HydrophobicContact CD2-CD2 3.58Å; W191-F216 HydrophobicContact CD2-CE1 4.26Å; W191-F216 AromaticContact CD2-CE2 3.93Å; W191-F216 HydrophobicContact CD2-CE2 3.93Å; W191-F216 AromaticContact CD2-CG 3.53Å; W191-F216 HydrophobicContact CD2-CG 3.53Å; W191-F216 HydrophobicContact CD2-CZ 4.28Å; W191-F216 AromaticContact CE2-CG 3.89Å; W191-F216 AromaticContact CE3-CD1 3.84Å; W191-F216 HydrophobicContact CE3-CD1 3.84Å; W191-F216 AromaticContact CE3-CD2 3.91Å; W191-F216 HydrophobicContact CE3-CD2 3.91Å; W191-F216 AromaticContact CE3-CE1 3.76Å; W191-F216 HydrophobicContact CE3-CE1 3.76Å; W191-F216 AromaticContact CE3-CE2 3.78Å; W191-F216 HydrophobicContact CE3-CE2 3.78Å; W191-F216 AromaticContact CE3-CG 3.92Å; W191-F216 HydrophobicContact CE3-CG 3.92Å; W191-F216 AromaticContact CE3-CZ 3.73Å; W191-F216 HydrophobicContact CE3-CZ 3.73Å; W191-F216 HydrophobicContact CG-CB 3.9Å; W191-F216 HydrophobicContact CG-CD1 4.48Å; W191-F216 AromaticContact CG-CD2 3.36Å; W191-F216 HydrophobicContact CG-CD2 3.36Å; W191-F216 AromaticContact CG-CE2 3.92Å; W191-F216 HydrophobicContact CG-CE2 3.92Å; W191-F216 AromaticContact CG-CG 3.68Å; W191-F216 HydrophobicContact CG-CG 3.68Å; W191-F216 HydrophobicContact CH2-CD1 4.41Å; W191-F216 HydrophobicContact CZ2-CD1 4.42Å; W191-F216 HydrophobicContact CZ3-CD1 4.11Å; W191-F216 AromaticContact CZ3-CE1 3.98Å; W191-F216 HydrophobicContact CZ3-CE1 3.98Å; W191-F216 HydrophobicContact CZ3-CZ 4.31Å; T214-F216 HydrophobicContact CG2-CD2 3.81Å; T214-F216 HydrophobicContact CG2-CE2 3.29Å; T214-F216 HydrophobicContact CG2-CZ 4.23Å; F216-Q342 WeakPolarHBondContact CA-O 3.45Å; F216-Q342 VanDerWaalsContact CD1-C 3.43Å; F216-R343 HydrophobicContact CD1-CB 4.39Å; F216-R343 HydrophobicContact CE1-CB 4.09Å; F216-R343 HydrophobicContact CZ-CB 4.32Å
217Y95.9Very high95.2Very high3 Ų320.9 Ų20.91%0.01212%0.124CC..EExtended strand (participates in β ladder)trans-78134.1167.7-69.1-77000109.6G187 R188 F225 L257 Q342 C344G187-Y217 WeakPolarHBondContact O-CA 3.22Å; R188-Y217 HydrophobicContact CG-CD1 4.14Å; R188-Y217 HydrophobicContact CG-CE1 4.13Å; Y217-F225 AromaticContact CD1-CE2 3.8Å; Y217-F225 HydrophobicContact CD1-CE2 3.8Å; Y217-F225 HydrophobicContact CD1-CZ 4.36Å; Y217-F225 HydrophobicContact CE1-CE2 4.08Å; Y217-F225 HydrophobicContact CE1-CZ 4.24Å; Y217-L257 HydrophobicContact CD1-CD1 3.94Å; Y217-L257 HydrophobicContact CD2-CD1 4.29Å; Y217-L257 HydrophobicContact CD2-CD2 3.63Å; Y217-L257 HydrophobicContact CE1-CD1 3.87Å; Y217-L257 HydrophobicContact CE1-CD2 4.38Å; Y217-L257 HydrophobicContact CE2-CD1 4.26Å; Y217-L257 HydrophobicContact CE2-CD2 3.3Å; Y217-L257 HydrophobicContact CE2-CG 4.42Å; Y217-L257 HydrophobicContact CG-CD1 4.13Å; Y217-L257 HydrophobicContact CG-CD2 4.3Å; Y217-Q342 HydrophobicContact CD2-CB 4.27Å; Y217-Q342 WeakPolarHBondContact CD2-O 3.32Å; Y217-Q342 PolarHBondContact N-O 3.47Å; Y217-C344 HydrophobicContact CD2-CB 4.35Å; Y217-C344 HydrophobicContact CE2-CB 3.96Å
218R95.3Very high95.2Very high55 Ų5522.1 Ų22.121%0.20813%0.129CC..  trans-65138.5178.3-66-177.769.5-150-3.7109.9Y181 G187 E189 Q220 E228 I338Y181-R218 PolarHBondContact OH-NH1 3.34Å; Y181-R218 PolarHBondContact OH-NH2 3.09Å; Y181-R218 VanDerWaalsContact OH-NH2 3.07Å; G187-R218 PolarHBondContact O-N 3.3Å; E189-R218 HydrophobicContact CB-CG 3.76Å; E189-R218 HydrophobicContact CG-CG 3.69Å; R218-Q220 HydrophobicContact CB-CG 4.22Å; R218-Q220 VanDerWaalsContact CZ-OE1 3.29Å; R218-Q220 VanDerWaalsContact NH1-OE1 3.1Å; R218-Q220 PolarHBondContact O-N 3.45Å; R218-E228 IonicContact CZ-OE1 3.2Å; R218-E228 IonicContact NH1-OE1 2.65Å; R218-E228 PolarHBondContact NH1-OE1 2.8Å; R218-I338 WeakPolarHBondContact O-CB 3.4Å; R218-I338 WeakPolarHBondContact O-CG2 3.49Å
219A95Very high95.1Very high64 Ų6422.3 Ų22.353%0.52913%0.13SC..  trans-77.697.5170.500000108.9I338 A340A219-I338 WeakPolarHBondContact CA-O 3.49Å; A219-A340 HydrophobicContact CB-CB 3.77Å
220Q95.6Very high95Very high7 Ų722.9 Ų22.93%0.03313%0.133CC..  trans-152.3163.2-172.969.3-169.815.100111.9R218 F225 E228 N337 I338R218-Q220 HydrophobicContact CB-CG 4.22Å; R218-Q220 VanDerWaalsContact CZ-OE1 3.29Å; R218-Q220 VanDerWaalsContact NH1-OE1 3.1Å; R218-Q220 PolarHBondContact O-N 3.45Å; Q220-F225 HydrophobicContact CG-CB 4.3Å; Q220-E228 PolarHBondContact NE2-OE1 3.07Å; Q220-E228 PolarHBondContact OE1-OE1 3.35Å; Q220-E228 VanDerWaalsContact OE1-OE1 3.09Å; Q220-N337 WeakPolarHBondContact O-CA 3.48Å; Q220-I338 PolarHBondContact O-N 2.89Å
221P97.4Very high94.8Very high48 Ų4829 Ų2931%0.31217%0.166SC..BIsolated β-bridgetrans-53.8141.1172.2-25.835.4000112.3I223 E224 F225 N337P221-I223 PolarHBondContact O-N 2.66Å; P221-E224 HydrophobicContact CB-CG 4.31Å; P221-E224 HydrophobicContact CG-CG 4.41Å; P221-E224 PolarHBondContact O-N 3.49Å; P221-E224 VanDerWaalsContact O-N 3.09Å; P221-F225 PolarHBondContact O-N 2.92Å; P221-N337 WeakPolarHBondContact CA-OD1 3.41Å
222V97.6Very high94.7Very high0 Ų029.1 Ų29.10%017%0.166CC..Hα-helixtrans-62.2-29.4179.3168.30000111.6F225 M226 F250 I254 V259 L320 L333 C336 I338V222-F225 PolarHBondContact O-N 2.85Å; V222-M226 WeakPolarHBondContact O-CB 3.47Å; V222-M226 PolarHBondContact O-N 2.96Å; V222-F250 HydrophobicContact CG1-CZ 3.98Å; V222-I254 HydrophobicContact CG1-CD1 3.62Å; V222-I254 HydrophobicContact CG2-CD1 4.22Å; V222-V259 HydrophobicContact CG2-CG1 3.85Å; V222-L320 HydrophobicContact CG1-CD1 4.21Å; V222-L320 HydrophobicContact CG2-CD1 4.25Å; V222-L333 HydrophobicContact CG1-CB 4.09Å; V222-L333 HydrophobicContact CG1-CD2 4.02Å; V222-L333 HydrophobicContact CG1-CG 4.48Å; V222-C336 HydrophobicContact CB-CB 4.1Å; V222-C336 WeakPolarHBondContact CB-O 3.33Å; V222-C336 HydrophobicContact CG2-CB 3.56Å; V222-C336 WeakPolarHBondContact CG2-O 3.29Å; V222-C336 PolarHBondContact N-O 2.89Å; V222-I338 HydrophobicContact CG2-CD1 3.94Å; V222-I338 HydrophobicContact CG2-CG1 4.32Å
223I96.7Very high94.4Very high17 Ų1737.2 Ų37.29%0.08720%0.2CC..Hα-helixtrans-59.5-49.8172.6-64.9-68.1000111P221 F225 M226 C227 I235 Y314 L317 L333 E334P221-I223 PolarHBondContact O-N 2.66Å; I223-F225 VanDerWaalsContact C-N 3.35Å; I223-F225 PolarHBondContact O-N 3.41Å; I223-M226 WeakPolarHBondContact O-CB 3.29Å; I223-M226 PolarHBondContact O-N 2.8Å; I223-C227 PolarHBondContact O-N 3.47Å; I223-C227 PolarHBondContact O-SG 2.95Å; I223-C227 VanDerWaalsContact O-SG 3.35Å; I223-I235 HydrophobicContact CG2-CB 4.31Å; I223-I235 HydrophobicContact CG2-CD1 4.15Å; I223-I235 HydrophobicContact CG2-CG1 3.8Å; I223-Y314 HydrophobicContact CD1-CD2 4.06Å; I223-Y314 HydrophobicContact CG1-CD2 4.45Å; I223-L317 HydrophobicContact CD1-CD1 3.6Å; I223-L333 HydrophobicContact CD1-CB 3.54Å; I223-L333 HydrophobicContact CD1-CD1 4.31Å; I223-L333 HydrophobicContact CG1-CB 4.22Å; I223-E334 HydrophobicContact CD1-CB 4.48Å; I223-E334 HydrophobicContact CG1-CB 4.19Å
224E95.8Very high94.1Very high102 Ų10239.1 Ų39.148%0.47721%0.207SC..Hα-helixtrans-64.4-40.6177.8-67.5179.6-16700111.6P221 M226 C227 E228P221-E224 HydrophobicContact CB-CG 4.31Å; P221-E224 HydrophobicContact CG-CG 4.41Å; P221-E224 PolarHBondContact O-N 3.49Å; P221-E224 VanDerWaalsContact O-N 3.09Å; E224-M226 VanDerWaalsContact C-N 3.32Å; E224-M226 PolarHBondContact O-N 3.12Å; E224-C227 WeakPolarHBondContact O-CB 3.46Å; E224-C227 PolarHBondContact O-N 3.08Å; E224-E228 PolarHBondContact O-N 2.84Å
225F96.8Very high93.6Very high0 Ų039.2 Ų39.20%021%0.207CC..Hα-helixtrans-58.2-43.5173.2179.3-94.7000112.3Y217 Q220 P221 V222 I223 E228 V229 F250 E253 I254 L257 I338Y217-F225 AromaticContact CD1-CE2 3.8Å; Y217-F225 HydrophobicContact CD1-CE2 3.8Å; Y217-F225 HydrophobicContact CD1-CZ 4.36Å; Y217-F225 HydrophobicContact CE1-CE2 4.08Å; Y217-F225 HydrophobicContact CE1-CZ 4.24Å; Q220-F225 HydrophobicContact CG-CB 4.3Å; P221-F225 PolarHBondContact O-N 2.92Å; V222-F225 PolarHBondContact O-N 2.85Å; I223-F225 VanDerWaalsContact C-N 3.35Å; I223-F225 PolarHBondContact O-N 3.41Å; F225-E228 PolarHBondContact O-N 2.91Å; F225-V229 HydrophobicContact CD1-CG2 4.33Å; F225-V229 HydrophobicContact CE1-CG2 3.85Å; F225-V229 HydrophobicContact CE2-CG2 4.22Å; F225-V229 HydrophobicContact CZ-CG2 3.78Å; F225-V229 VanDerWaalsContact O-CG2 3.3Å; F225-V229 WeakPolarHBondContact O-CG2 3.34Å; F225-V229 PolarHBondContact O-N 2.9Å; F225-V229 VanDerWaalsContact O-N 3.07Å; F225-F250 AromaticContact CD1-CE2 3.95Å; F225-F250 HydrophobicContact CD1-CE2 3.95Å; F225-F250 HydrophobicContact CE1-CE2 4.23Å; F225-E253 HydrophobicContact CE1-CB 4.33Å; F225-E253 HydrophobicContact CZ-CB 4.2Å; F225-I254 HydrophobicContact CD1-CD1 4.26Å; F225-I254 HydrophobicContact CE1-CB 4.01Å; F225-I254 HydrophobicContact CE1-CD1 4.42Å; F225-I254 HydrophobicContact CE1-CG1 4.3Å; F225-L257 HydrophobicContact CE2-CD1 4.45Å; F225-L257 HydrophobicContact CZ-CD1 4.02Å; F225-I338 HydrophobicContact CB-CG1 4.11Å; F225-I338 HydrophobicContact CD1-CD1 4.33Å; F225-I338 HydrophobicContact CD2-CD1 4.45Å; F225-I338 HydrophobicContact CD2-CG1 4.25Å; F225-I338 HydrophobicContact CG-CD1 4.16Å; F225-I338 HydrophobicContact CG-CG1 4.13Å
226M96.3Very high93Very high0 Ų044.1 Ų44.10%023%0.233CC..Hα-helixtrans-61.9-45.3175.1-177.2-169.470.400111.1V222 I223 E224 E228 V229 L230 I235 L242 F250 L317 L333V222-M226 WeakPolarHBondContact O-CB 3.47Å; V222-M226 PolarHBondContact O-N 2.96Å; I223-M226 WeakPolarHBondContact O-CB 3.29Å; I223-M226 PolarHBondContact O-N 2.8Å; E224-M226 VanDerWaalsContact C-N 3.32Å; E224-M226 PolarHBondContact O-N 3.12Å; M226-E228 PolarHBondContact O-N 3.42Å; M226-V229 PolarHBondContact O-N 2.62Å; M226-L230 HydrophobicContact CG-CD1 3.7Å; M226-L230 HydrophobicContact CG-CG 4.23Å; M226-L230 WeakPolarHBondContact O-CB 3.49Å; M226-L230 WeakPolarHBondContact O-CG 3.32Å; M226-L230 PolarHBondContact O-N 3.48Å; M226-L230 HydrophobicContact SD-CD1 4.33Å; M226-I235 HydrophobicContact CE-CD1 3.47Å; M226-I235 VanDerWaalsContact CE-CD1 3.47Å; M226-L242 HydrophobicContact SD-CD1 3.88Å; M226-L242 HydrophobicContact SD-CD2 4.27Å; M226-F250 HydrophobicContact CB-CD2 3.94Å; M226-F250 HydrophobicContact CB-CE2 3.62Å; M226-F250 HydrophobicContact CB-CZ 4.18Å; M226-F250 HydrophobicContact CG-CD2 3.83Å; M226-F250 HydrophobicContact CG-CE2 3.93Å; M226-F250 HydrophobicContact CG-CG 4.18Å; M226-F250 HydrophobicContact CG-CZ 4.39Å; M226-L317 HydrophobicContact CE-CD1 3.89Å; M226-L317 HydrophobicContact CE-CD2 4.17Å; M226-L317 HydrophobicContact SD-CD1 4.5Å; M226-L317 HydrophobicContact SD-CD2 4.4Å; M226-L333 HydrophobicContact SD-CD1 3.73Å
227C94.8Very high92.2Very high17 Ų1751 Ų5112%0.11527%0.265CS..Hα-helixtrans-58.6-46.9177.8-69.30000112I223 E224 V229 L230 D231 I232I223-C227 PolarHBondContact O-N 3.47Å; I223-C227 PolarHBondContact O-SG 2.95Å; I223-C227 VanDerWaalsContact O-SG 3.35Å; E224-C227 WeakPolarHBondContact O-CB 3.46Å; E224-C227 PolarHBondContact O-N 3.08Å; C227-V229 VanDerWaalsContact C-N 3.32Å; C227-V229 PolarHBondContact O-N 2.85Å; C227-L230 PolarHBondContact O-N 3.44Å; C227-D231 WeakPolarHBondContact O-CA 3.38Å; C227-D231 PolarHBondContact O-N 3.01Å; C227-I232 HydrophobicContact CB-CB 4.3Å; C227-I232 WeakPolarHBondContact CB-O 3.49Å; C227-I232 PolarHBondContact O-N 3.45Å
228E93.9Very high91.3Very high44 Ų4452.4 Ų52.421%0.20627%0.271CS..Hα-helixtrans-63.5-34176.6-74.8-166.7-128.500113.4G186 G187 R218 Q220 E224 F225 M226G186-E228 PolarHBondContact N-OE2 3.32Å; G187-E228 VanDerWaalsContact CA-OE2 3.25Å; G187-E228 WeakPolarHBondContact CA-OE2 3.45Å; G187-E228 PolarHBondContact N-OE2 3.49Å; R218-E228 IonicContact CZ-OE1 3.2Å; R218-E228 IonicContact NH1-OE1 2.65Å; R218-E228 PolarHBondContact NH1-OE1 2.8Å; Q220-E228 PolarHBondContact NE2-OE1 3.07Å; Q220-E228 PolarHBondContact OE1-OE1 3.35Å; Q220-E228 VanDerWaalsContact OE1-OE1 3.09Å; E224-E228 PolarHBondContact O-N 2.84Å; F225-E228 PolarHBondContact O-N 2.91Å; M226-E228 PolarHBondContact O-N 3.42Å
229V93.9Very high90.5Very high8 Ų854.8 Ų54.85%0.04829%0.292CS..Hα-helixtrans-76.4-35.6179.5166.50000111.9F225 M226 C227 K249 E253F225-V229 HydrophobicContact CD1-CG2 4.33Å; F225-V229 HydrophobicContact CE1-CG2 3.85Å; F225-V229 HydrophobicContact CE2-CG2 4.22Å; F225-V229 HydrophobicContact CZ-CG2 3.78Å; F225-V229 VanDerWaalsContact O-CG2 3.3Å; F225-V229 WeakPolarHBondContact O-CG2 3.34Å; F225-V229 PolarHBondContact O-N 2.9Å; F225-V229 VanDerWaalsContact O-N 3.07Å; M226-V229 PolarHBondContact O-N 2.62Å; C227-V229 VanDerWaalsContact C-N 3.32Å; C227-V229 PolarHBondContact O-N 2.85Å; V229-K249 HydrophobicContact CG1-CG 4.38Å; V229-K249 WeakPolarHBondContact O-CE 3.44Å; V229-K249 PolarHBondContact O-NZ 2.82Å; V229-E253 HydrophobicContact CG1-CB 3.98Å; V229-E253 HydrophobicContact CG1-CG 3.71Å; V229-E253 HydrophobicContact CG2-CB 4.03Å; V229-E253 HydrophobicContact CG2-CG 4.15Å
230L93Very high90.1Very high18 Ų1859.2 Ų59.29%0.09430%0.299CS..Hα-helixtrans-94.50.6-177-60.7-174.7000113.3M226 C227 I232 L242 Q246 K249 F250M226-L230 HydrophobicContact CG-CD1 3.7Å; M226-L230 HydrophobicContact CG-CG 4.23Å; M226-L230 WeakPolarHBondContact O-CB 3.49Å; M226-L230 WeakPolarHBondContact O-CG 3.32Å; M226-L230 PolarHBondContact O-N 3.48Å; M226-L230 HydrophobicContact SD-CD1 4.33Å; C227-L230 PolarHBondContact O-N 3.44Å; L230-I232 HydrophobicContact CB-CD1 3.76Å; L230-I232 HydrophobicContact CB-CG1 3.83Å; L230-I232 HydrophobicContact CD1-CD1 3.96Å; L230-I232 PolarHBondContact O-N 2.91Å; L230-L242 HydrophobicContact CD1-CD1 4.18Å; L230-L242 HydrophobicContact CD1-CD2 3.83Å; L230-Q246 HydrophobicContact CD1-CB 4.09Å; L230-Q246 HydrophobicContact CD1-CG 4.49Å; L230-Q246 HydrophobicContact CD2-CB 4.11Å; L230-Q246 HydrophobicContact CD2-CG 4.4Å; L230-Q246 WeakPolarHBondContact CD2-O 3.23Å; L230-K249 HydrophobicContact CD2-CB 4.13Å; L230-K249 HydrophobicContact CD2-CD 4Å; L230-K249 HydrophobicContact CD2-CG 4.28Å; L230-F250 HydrophobicContact CD2-CB 4.27Å
231D90.7Very high89.9Confident130 Ų13062.4 Ų62.470%0.69532%0.321SS*.THydrogen-bonded Turntrans56.537.2-175.9-56.5-59.9000112.3C227 K249C227-D231 WeakPolarHBondContact O-CA 3.38Å; C227-D231 PolarHBondContact O-N 3.01Å; D231-K249 IonicContact OD2-NZ 3.85Å; D231-K249 PolarHBondContact OD2-NZ 3.28Å
232I90.2Very high89.7Confident25 Ų2561 Ų6113%0.12831%0.311CS..  trans-88.5119.1176.3-60.6170.2000108.1C227 L230 N234 Q238C227-I232 HydrophobicContact CB-CB 4.3Å; C227-I232 WeakPolarHBondContact CB-O 3.49Å; C227-I232 PolarHBondContact O-N 3.45Å; L230-I232 HydrophobicContact CB-CD1 3.76Å; L230-I232 HydrophobicContact CB-CG1 3.83Å; L230-I232 HydrophobicContact CD1-CD1 3.96Å; L230-I232 PolarHBondContact O-N 2.91Å; I232-N234 WeakPolarHBondContact CG2-O 3.47Å; I232-Q238 HydrophobicContact CD1-CG 4.48Å
233Q86.2Confident89.4Confident197 Ų19764.8 Ų64.892%0.92133%0.334SS*.SBendtrans-75.6-39.9-179.4-65.6-162.4-7.100112.7
234N85.1Confident89.2Confident63 Ų6367.9 Ų67.934%0.33735%0.35SS..  trans-133.3118.2-178.3-171.9-8.6000110.7I232 N236 E237I232-N234 WeakPolarHBondContact CG2-O 3.47Å; N234-N236 PolarHBondContact O-N 2.81Å; N234-N236 WeakPolarHBondContact OD1-CB 3.34Å; N234-N236 PolarHBondContact OD1-N 2.88Å; N234-E237 HydrophobicContact CB-CG 4.08Å; N234-E237 PolarHBondContact O-N 3.48Å; N234-E237 VanDerWaalsContact O-N 3.17Å
235I84.6Confident88.9Confident22 Ų2267.4 Ų67.411%0.11336%0.358CS..G310 helixtrans-62.4-27179.7-170.861.8000112.5I223 M226 E237 Q238 Y314 L317I223-I235 HydrophobicContact CG2-CB 4.31Å; I223-I235 HydrophobicContact CG2-CD1 4.15Å; I223-I235 HydrophobicContact CG2-CG1 3.8Å; M226-I235 HydrophobicContact CE-CD1 3.47Å; M226-I235 VanDerWaalsContact CE-CD1 3.47Å; I235-E237 PolarHBondContact O-N 3.04Å; I235-Q238 HydrophobicContact CD1-CB 4.3Å; I235-Q238 WeakPolarHBondContact O-CB 3.46Å; I235-Q238 PolarHBondContact O-N 2.85Å; I235-Y314 HydrophobicContact CG1-CD1 4.14Å; I235-Y314 HydrophobicContact CG1-CE1 3.78Å; I235-Y314 HydrophobicContact CG2-CE1 4.08Å; I235-Y314 WeakPolarHBondContact CG2-OH 3.47Å; I235-L317 HydrophobicContact CD1-CD1 4.25Å
236N83.1Confident88.7Confident107 Ų10769.7 Ų69.757%0.57237%0.369SS*.G310 helixtrans-70.4-20.1-179.2-62.4-26.5000112.5N234 Q238N234-N236 PolarHBondContact O-N 2.81Å; N234-N236 WeakPolarHBondContact OD1-CB 3.34Å; N234-N236 PolarHBondContact OD1-N 2.88Å; N236-Q238 VanDerWaalsContact C-N 3.31Å
237E78Confident88.6Confident145 Ų14571.7 Ų71.768%0.67838%0.377SS*.G310 helixtrans-77.3-21.8172.9-66.2171.9-164.500111.8N234 I235 T239N234-E237 HydrophobicContact CB-CG 4.08Å; N234-E237 PolarHBondContact O-N 3.48Å; N234-E237 VanDerWaalsContact O-N 3.17Å; I235-E237 PolarHBondContact O-N 3.04Å; E237-T239 VanDerWaalsContact C-N 3.28Å; E237-T239 PolarHBondContact O-N 2.69Å
238Q77.9Confident88.5Confident31 Ų3174.1 Ų74.115%0.14539%0.391CS..  trans-82.273.5176.2-169.665.541.700110I232 I235 N236 K240 L242 H316I232-Q238 HydrophobicContact CD1-CG 4.48Å; I235-Q238 HydrophobicContact CD1-CB 4.3Å; I235-Q238 WeakPolarHBondContact O-CB 3.46Å; I235-Q238 PolarHBondContact O-N 2.85Å; N236-Q238 VanDerWaalsContact C-N 3.31Å; Q238-K240 PolarHBondContact NE2-O 2.65Å; Q238-L242 HydrophobicContact CG-CD2 4.42Å; Q238-H316 PolarHBondContact O-CD2 3.44Å; Q238-H316 PolarHBondContact O-NE2 3.04Å
239T78.4Confident88.4Confident105 Ų10576.5 Ų76.564%0.64440%0.401SS*.  trans-83.7-16.4177.855.50000113.5E237E237-T239 VanDerWaalsContact C-N 3.28Å; E237-T239 PolarHBondContact O-N 2.69Å
240K87.1Confident88.5Confident157 Ų15776.1 Ų76.168%0.68340%0.398SS*.SBendtrans-100.1154.9179.8-65.9-177.4-178.9178.30111.7Q238Q238-K240 PolarHBondContact NE2-O 2.65Å
241P90.8Very high88.6Confident75 Ų7576.3 Ų76.349%0.48740%0.4SS..PPolyproline II helixtrans-54.1153.3169-24.134.1000112T243P241-T243 PolarHBondContact O-N 3.15Å
242L92.3Very high88.6Confident18 Ų1877.1 Ų77.19%0.09440%0.397CS..PPolyproline II helixtrans-61.8137.9175.4-59.9-178.1000110.4M226 L230 Q238 Q246 R247 L317 P318M226-L242 HydrophobicContact SD-CD1 3.88Å; M226-L242 HydrophobicContact SD-CD2 4.27Å; L230-L242 HydrophobicContact CD1-CD1 4.18Å; L230-L242 HydrophobicContact CD1-CD2 3.83Å; Q238-L242 HydrophobicContact CG-CD2 4.42Å; L242-Q246 HydrophobicContact CB-CB 4.21Å; L242-R247 HydrophobicContact CB-CB 4.32Å; L242-L317 HydrophobicContact CD2-CD2 4.26Å; L242-L317 HydrophobicContact CG-CD2 4.27Å; L242-P318 HydrophobicContact CD1-CG 4.06Å
243T93.1Very high88.8Confident79 Ų7978 Ų7849%0.48540%0.401SS..PPolyproline II helixtrans-61.5157.8167.9620000110.4P241 S245 Q246 R247P241-T243 PolarHBondContact O-N 3.15Å; T243-S245 PolarHBondContact O-N 3.26Å; T243-Q246 PolarHBondContact O-N 3.14Å; T243-Q246 VanDerWaalsContact O-N 3.15Å; T243-Q246 WeakPolarHBondContact OG1-CB 3.47Å; T243-Q246 VanDerWaalsContact OG1-CG 3.27Å; T243-Q246 WeakPolarHBondContact OG1-CG 3.43Å; T243-Q246 PolarHBondContact OG1-N 3.28Å; T243-Q246 PolarHBondContact OG1-OE1 3.14Å; T243-R247 WeakPolarHBondContact O-CB 3.47Å; T243-R247 PolarHBondContact O-N 2.83Å
244D90.9Very high89.2Confident82 Ų8268.7 Ų68.744%0.43936%0.358SS..Hα-helixtrans-58.4-36.5178.2-84-30.9000112.4R247 V248 R278D244-R247 PolarHBondContact O-N 2.64Å; D244-R247 IonicContact OD1-CZ 3.65Å; D244-R247 IonicContact OD1-NE 3.11Å; D244-R247 PolarHBondContact OD1-NE 3.22Å; D244-R247 IonicContact OD1-NH2 2.66Å; D244-R247 PolarHBondContact OD1-NH2 3.47Å; D244-V248 WeakPolarHBondContact O-CB 3.49Å; D244-V248 VanDerWaalsContact O-CG2 3.27Å; D244-V248 WeakPolarHBondContact O-CG2 3.48Å; D244-V248 PolarHBondContact O-N 3.03Å; D244-R278 IonicContact OD2-NH2 2.87Å; D244-R278 PolarHBondContact OD2-NH2 2.81Å
245S89Confident89.6Confident92 Ų9271.6 Ų71.664%0.64336%0.364SS*.Hα-helixtrans-62.6-49.3174.7-176.50000112.2T243 R247 V248 K249T243-S245 PolarHBondContact O-N 3.26Å; S245-R247 PolarHBondContact O-N 2.57Å; S245-V248 PolarHBondContact O-N 3.1Å; S245-K249 WeakPolarHBondContact O-CB 3.35Å; S245-K249 PolarHBondContact O-N 3.39Å
246Q92.8Very high90Very high49 Ų4972 Ų7223%0.22937%0.374CS..Hα-helixtrans-61.4-46.2176.6-75.3167.7-40.300111.5L230 L242 T243 V248 K249 F250L230-Q246 HydrophobicContact CD1-CB 4.09Å; L230-Q246 HydrophobicContact CD1-CG 4.49Å; L230-Q246 HydrophobicContact CD2-CB 4.11Å; L230-Q246 HydrophobicContact CD2-CG 4.4Å; L230-Q246 WeakPolarHBondContact CD2-O 3.23Å; L242-Q246 HydrophobicContact CB-CB 4.21Å; T243-Q246 PolarHBondContact O-N 3.14Å; T243-Q246 VanDerWaalsContact O-N 3.15Å; T243-Q246 WeakPolarHBondContact OG1-CB 3.47Å; T243-Q246 VanDerWaalsContact OG1-CG 3.27Å; T243-Q246 WeakPolarHBondContact OG1-CG 3.43Å; T243-Q246 PolarHBondContact OG1-N 3.28Å; T243-Q246 PolarHBondContact OG1-OE1 3.14Å; Q246-V248 VanDerWaalsContact C-N 3.35Å; Q246-V248 PolarHBondContact O-N 3.35Å; Q246-K249 PolarHBondContact O-N 3.04Å; Q246-F250 WeakPolarHBondContact O-CB 3.19Å; Q246-F250 PolarHBondContact O-N 3Å
247R95.1Very high90.5Very high41 Ų4167.5 Ų67.516%0.15535%0.349CS..Hα-helixtrans-59.1-45.4178.3-177.3175.862.7105.5-0.5111.2L242 T243 D244 S245 F250 T251 V276 T277 R278L242-R247 HydrophobicContact CB-CB 4.32Å; T243-R247 WeakPolarHBondContact O-CB 3.47Å; T243-R247 PolarHBondContact O-N 2.83Å; D244-R247 PolarHBondContact O-N 2.64Å; D244-R247 IonicContact OD1-CZ 3.65Å; D244-R247 IonicContact OD1-NE 3.11Å; D244-R247 PolarHBondContact OD1-NE 3.22Å; D244-R247 IonicContact OD1-NH2 2.66Å; D244-R247 PolarHBondContact OD1-NH2 3.47Å; S245-R247 PolarHBondContact O-N 2.57Å; R247-F250 PolarHBondContact O-N 2.99Å; R247-T251 VanDerWaalsContact O-CB 3.3Å; R247-T251 WeakPolarHBondContact O-CB 3.47Å; R247-T251 PolarHBondContact O-N 3.24Å; R247-T251 PolarHBondContact O-OG1 3.2Å; R247-V276 HydrophobicContact CG-CG1 4.49Å; R247-T277 WeakPolarHBondContact CD-O 3.2Å; R247-R278 VanDerWaalsContact NH1-CA 3.26Å; R247-R278 VanDerWaalsContact NH1-CB 3.3Å
248V92.4Very high91.4Very high69 Ų6964.4 Ų64.442%0.41833%0.334SS..Hα-helixtrans-65-43177169.30000111.4D244 S245 Q246 T251 K252D244-V248 WeakPolarHBondContact O-CB 3.49Å; D244-V248 VanDerWaalsContact O-CG2 3.27Å; D244-V248 WeakPolarHBondContact O-CG2 3.48Å; D244-V248 PolarHBondContact O-N 3.03Å; S245-V248 PolarHBondContact O-N 3.1Å; Q246-V248 VanDerWaalsContact C-N 3.35Å; Q246-V248 PolarHBondContact O-N 3.35Å; V248-T251 PolarHBondContact O-N 3.46Å; V248-K252 HydrophobicContact CG1-CD 4.26Å; V248-K252 HydrophobicContact CG1-CG 4.46Å; V248-K252 WeakPolarHBondContact O-CB 3.43Å; V248-K252 WeakPolarHBondContact O-CG 3.43Å; V248-K252 PolarHBondContact O-N 3.25Å
249K92.3Very high92.3Very high94 Ų9462.9 Ų62.941%0.40933%0.327SS..Hα-helixtrans-58.1-49.3175.4-172.2-176.7-178.6-158.90111V229 L230 D231 S245 Q246 K252 E253V229-K249 HydrophobicContact CG1-CG 4.38Å; V229-K249 WeakPolarHBondContact O-CE 3.44Å; V229-K249 PolarHBondContact O-NZ 2.82Å; L230-K249 HydrophobicContact CD2-CB 4.13Å; L230-K249 HydrophobicContact CD2-CD 4Å; L230-K249 HydrophobicContact CD2-CG 4.28Å; D231-K249 IonicContact OD2-NZ 3.85Å; D231-K249 PolarHBondContact OD2-NZ 3.28Å; S245-K249 WeakPolarHBondContact O-CB 3.35Å; S245-K249 PolarHBondContact O-N 3.39Å; Q246-K249 PolarHBondContact O-N 3.04Å; K249-K252 PolarHBondContact O-N 2.96Å; K249-E253 PolarHBondContact O-N 2.94Å
250F95.8Very high93Very high0 Ų059.6 Ų59.60%030%0.304CS..Hα-helixtrans-62.4-46.3176.8174.6-118.7000112.4V222 F225 M226 L230 Q246 R247 K252 E253 I254 V276 L320 L333V222-F250 HydrophobicContact CG1-CZ 3.98Å; F225-F250 AromaticContact CD1-CE2 3.95Å; F225-F250 HydrophobicContact CD1-CE2 3.95Å; F225-F250 HydrophobicContact CE1-CE2 4.23Å; M226-F250 HydrophobicContact CB-CD2 3.94Å; M226-F250 HydrophobicContact CB-CE2 3.62Å; M226-F250 HydrophobicContact CB-CZ 4.18Å; M226-F250 HydrophobicContact CG-CD2 3.83Å; M226-F250 HydrophobicContact CG-CE2 3.93Å; M226-F250 HydrophobicContact CG-CG 4.18Å; M226-F250 HydrophobicContact CG-CZ 4.39Å; L230-F250 HydrophobicContact CD2-CB 4.27Å; Q246-F250 WeakPolarHBondContact O-CB 3.19Å; Q246-F250 PolarHBondContact O-N 3Å; R247-F250 PolarHBondContact O-N 2.99Å; F250-K252 VanDerWaalsContact C-N 3.32Å; F250-K252 PolarHBondContact O-N 3.26Å; F250-E253 PolarHBondContact O-N 2.99Å; F250-I254 HydrophobicContact CD1-CG2 4.41Å; F250-I254 HydrophobicContact CE1-CG2 4.08Å; F250-I254 HydrophobicContact CE2-CB 4.14Å; F250-I254 HydrophobicContact CE2-CD1 3.9Å; F250-I254 HydrophobicContact CE2-CG2 4.24Å; F250-I254 HydrophobicContact CZ-CB 4.25Å; F250-I254 HydrophobicContact CZ-CD1 3.6Å; F250-I254 HydrophobicContact CZ-CG2 4Å; F250-I254 WeakPolarHBondContact O-CG2 3.23Å; F250-I254 PolarHBondContact O-N 3.14Å; F250-V276 HydrophobicContact CD1-CG1 4.14Å; F250-V276 HydrophobicContact CD1-CG2 4.05Å; F250-V276 HydrophobicContact CE1-CG1 4.17Å; F250-V276 HydrophobicContact CE1-CG2 3.95Å; F250-L320 HydrophobicContact CE1-CD2 4.22Å; F250-L320 HydrophobicContact CZ-CD2 4.28Å; F250-L333 HydrophobicContact CE1-CD1 4.27Å; F250-L333 HydrophobicContact CE1-CD2 4.2Å; F250-L333 HydrophobicContact CZ-CD1 4.34Å; F250-L333 HydrophobicContact CZ-CD2 4.29Å
251T95.1Very high93.4Very high21 Ų2152.4 Ų52.413%0.12927%0.273CS..Hα-helixtrans-57.5-46.1177.8-55.10000111R247 V248 E253 I254 R255 V276R247-T251 VanDerWaalsContact O-CB 3.3Å; R247-T251 WeakPolarHBondContact O-CB 3.47Å; R247-T251 PolarHBondContact O-N 3.24Å; R247-T251 PolarHBondContact O-OG1 3.2Å; V248-T251 PolarHBondContact O-N 3.46Å; T251-E253 PolarHBondContact O-N 3.2Å; T251-I254 PolarHBondContact O-N 3.31Å; T251-R255 WeakPolarHBondContact O-CB 3.39Å; T251-R255 PolarHBondContact O-N 2.66Å; T251-V276 HydrophobicContact CG2-CB 4.26Å; T251-V276 HydrophobicContact CG2-CG2 4.16Å; T251-V276 WeakPolarHBondContact OG1-CB 3.41Å
252K90.4Very high93.4Very high147 Ų14752 Ų5264%0.63927%0.27SS*.Hα-helixtrans-58.4-31.9176.9-78.9179.7-179.7179.70111.9V248 K249 F250 K346V248-K252 HydrophobicContact CG1-CD 4.26Å; V248-K252 HydrophobicContact CG1-CG 4.46Å; V248-K252 WeakPolarHBondContact O-CB 3.43Å; V248-K252 WeakPolarHBondContact O-CG 3.43Å; V248-K252 PolarHBondContact O-N 3.25Å; K249-K252 PolarHBondContact O-N 2.96Å; F250-K252 VanDerWaalsContact C-N 3.32Å; F250-K252 PolarHBondContact O-N 3.26Å; K252-K346 PolarHBondContact O-NZ 3.44Å
253E93.7Very high93.2Very high45 Ų4552.8 Ų52.821%0.2127%0.273CS..Hα-helixtrans-84.5-44.4-179.3-73.5-60.2156.700113.8R188 F225 V229 K249 F250 T251 K346R188-E253 IonicContact CZ-OE2 3.58Å; R188-E253 IonicContact NH2-OE1 2.73Å; R188-E253 PolarHBondContact NH2-OE1 2.65Å; R188-E253 IonicContact NH2-OE2 2.84Å; R188-E253 PolarHBondContact NH2-OE2 3.12Å; F225-E253 HydrophobicContact CE1-CB 4.33Å; F225-E253 HydrophobicContact CZ-CB 4.2Å; V229-E253 HydrophobicContact CG1-CB 3.98Å; V229-E253 HydrophobicContact CG1-CG 3.71Å; V229-E253 HydrophobicContact CG2-CB 4.03Å; V229-E253 HydrophobicContact CG2-CG 4.15Å; K249-E253 PolarHBondContact O-N 2.94Å; F250-E253 PolarHBondContact O-N 2.99Å; T251-E253 PolarHBondContact O-N 3.2Å; E253-K346 PolarHBondContact O-NZ 3.25Å
254I95.8Very high92.8Very high0 Ų051.3 Ų51.30%027%0.265CS..Hα-helixtrans-85.1-24.3-175.4-161160.8000114.3V222 F225 F250 T251 G256 L257 V273 V276 L320 I338V222-I254 HydrophobicContact CG1-CD1 3.62Å; V222-I254 HydrophobicContact CG2-CD1 4.22Å; F225-I254 HydrophobicContact CD1-CD1 4.26Å; F225-I254 HydrophobicContact CE1-CB 4.01Å; F225-I254 HydrophobicContact CE1-CD1 4.42Å; F225-I254 HydrophobicContact CE1-CG1 4.3Å; F250-I254 HydrophobicContact CD1-CG2 4.41Å; F250-I254 HydrophobicContact CE1-CG2 4.08Å; F250-I254 HydrophobicContact CE2-CB 4.14Å; F250-I254 HydrophobicContact CE2-CD1 3.9Å; F250-I254 HydrophobicContact CE2-CG2 4.24Å; F250-I254 HydrophobicContact CZ-CB 4.25Å; F250-I254 HydrophobicContact CZ-CD1 3.6Å; F250-I254 HydrophobicContact CZ-CG2 4Å; F250-I254 WeakPolarHBondContact O-CG2 3.23Å; F250-I254 PolarHBondContact O-N 3.14Å; T251-I254 PolarHBondContact O-N 3.31Å; I254-G256 PolarHBondContact O-N 3.45Å; I254-L257 HydrophobicContact CG1-CD1 4.49Å; I254-L257 WeakPolarHBondContact O-CB 3.44Å; I254-L257 WeakPolarHBondContact O-CG 3.48Å; I254-L257 PolarHBondContact O-N 2.81Å; I254-V273 HydrophobicContact CG1-CG2 4.3Å; I254-V273 HydrophobicContact CG2-CG1 4.29Å; I254-V276 HydrophobicContact CG2-CG2 3.62Å; I254-L320 HydrophobicContact CD1-CD1 4.07Å; I254-L320 HydrophobicContact CD1-CD2 3.78Å; I254-L320 HydrophobicContact CG2-CD2 4.34Å; I254-I338 HydrophobicContact CD1-CD1 4.3Å
255R93.4Very high92Very high124 Ų12450.5 Ų50.547%0.46828%0.276SS..THydrogen-bonded Turntrans-57.9129.9179.6-175.1174-169.6-161.41.4110.9T251 L257 C274 E325T251-R255 WeakPolarHBondContact O-CB 3.39Å; T251-R255 PolarHBondContact O-N 2.66Å; R255-L257 VanDerWaalsContact C-N 3.35Å; R255-C274 WeakPolarHBondContact CD-O 3.3Å; R255-C274 WeakPolarHBondContact CG-O 3.39Å; R255-C274 PolarHBondContact NE-O 3.31Å; R255-E325 IonicContact CZ-OE1 3.02Å; R255-E325 IonicContact NE-OE1 2.83Å; R255-E325 IonicContact NH2-OE1 3.97Å; R255-E325 PolarHBondContact NH2-OE1 3.14Å; R255-E325 IonicContact NH2-OE2 2.81Å
256G91.6Very high91Very high31 Ų3155.7 Ų55.732%0.3229%0.29SS..THydrogen-bonded Turntrans89-12.8-177.800000114.7I254 R272 V273I254-G256 PolarHBondContact O-N 3.45Å; G256-R272 PolarHBondContact O-NH1 3.17Å; G256-V273 WeakPolarHBondContact CA-O 3.49Å; G256-V273 PolarHBondContact N-O 2.72Å
257L95.3Very high89.9Confident12 Ų1258.3 Ų58.36%0.06330%0.304CS..  trans-74.5153.3175.9-56.6-172.9000111.2Y217 F225 I254 R255 V273 I338Y217-L257 HydrophobicContact CD1-CD1 3.94Å; Y217-L257 HydrophobicContact CD2-CD1 4.29Å; Y217-L257 HydrophobicContact CD2-CD2 3.63Å; Y217-L257 HydrophobicContact CE1-CD1 3.87Å; Y217-L257 HydrophobicContact CE1-CD2 4.38Å; Y217-L257 HydrophobicContact CE2-CD1 4.26Å; Y217-L257 HydrophobicContact CE2-CD2 3.3Å; Y217-L257 HydrophobicContact CE2-CG 4.42Å; Y217-L257 HydrophobicContact CG-CD1 4.13Å; Y217-L257 HydrophobicContact CG-CD2 4.3Å; F225-L257 HydrophobicContact CE2-CD1 4.45Å; F225-L257 HydrophobicContact CZ-CD1 4.02Å; I254-L257 HydrophobicContact CG1-CD1 4.49Å; I254-L257 WeakPolarHBondContact O-CB 3.44Å; I254-L257 WeakPolarHBondContact O-CG 3.48Å; I254-L257 PolarHBondContact O-N 2.81Å; R255-L257 VanDerWaalsContact C-N 3.35Å; L257-V273 PolarHBondContact O-N 3.14Å; L257-I338 HydrophobicContact CD1-CD1 4.32Å
258K95.6Very high88.9Confident80 Ų8062 Ų6235%0.34832%0.321SS..EExtended strand (participates in β ladder)trans-90.6137.4170.7-55.3178.6-163.3174.60110.1Y271 V339 Q342K258-Y271 CarbonylContact C-O 3.55Å; K258-Y271 WeakPolarHBondContact CA-O 3.46Å; K258-V339 HydrophobicContact CB-CB 4.16Å; K258-V339 HydrophobicContact CB-CG2 4Å; K258-V339 PolarHBondContact O-N 3.25Å; K258-V339 VanDerWaalsContact O-N 3.13Å; K258-Q342 VanDerWaalsContact CB-OE1 3.28Å; K258-Q342 PolarHBondContact O-NE2 3.02Å
259V96.6Very high88.5Confident0 Ų065.8 Ų65.80%033%0.328CS..EExtended strand (participates in β ladder)trans-122.7150.1173.8-65.10000109.7V222 K270 Y271 V273 L320 V322 C336 N337 I338V222-V259 HydrophobicContact CG2-CG1 3.85Å; V259-K270 CarbonylContact O-C 3.5Å; V259-K270 WeakPolarHBondContact O-CA 3.44Å; V259-Y271 PolarHBondContact N-O 2.77Å; V259-Y271 PolarHBondContact O-N 2.82Å; V259-V273 HydrophobicContact CG1-CG2 3.82Å; V259-V273 HydrophobicContact CG2-CG2 3.89Å; V259-L320 HydrophobicContact CG1-CD1 4.01Å; V259-L320 HydrophobicContact CG2-CD1 4.2Å; V259-V322 HydrophobicContact CG2-CG1 4.32Å; V259-C336 HydrophobicContact CB-CB 4.26Å; V259-N337 CarbonylContact C-O 3.52Å; V259-N337 WeakPolarHBondContact CA-O 3.3Å; V259-N337 WeakPolarHBondContact CB-O 3.32Å; V259-I338 HydrophobicContact CG1-CD1 4.16Å
260E94.7Very high88.5Confident36 Ų3666.2 Ų66.217%0.16833%0.329CS..EExtended strand (participates in β ladder)trans-114.4145.2170.661.2-177.1-146.300110.2R269 K270 C336 N337 V339E260-R269 WeakPolarHBondContact CA-O 3.39Å; E260-K270 HydrophobicContact CB-CG 4.08Å; E260-C336 WeakPolarHBondContact O-CA 3.46Å; E260-N337 HydrophobicContact CG-CB 3.94Å; E260-N337 PolarHBondContact N-O 3.41Å; E260-N337 PolarHBondContact O-N 2.64Å; E260-V339 HydrophobicContact CB-CG2 3.96Å; E260-V339 HydrophobicContact CG-CG2 4.19Å
261V93.9Very high88.3Confident5 Ų568.4 Ų68.43%0.0334%0.338CS..EExtended strand (participates in β ladder)trans-87145.9-179.3-63.70000111.8R269 Y271 L331 V335V261-R269 HydrophobicContact CG2-CB 4Å; V261-R269 PolarHBondContact N-O 3.4Å; V261-R269 VanDerWaalsContact N-O 3.13Å; V261-Y271 HydrophobicContact CG1-CD2 4.05Å; V261-Y271 HydrophobicContact CG1-CE2 3.86Å; V261-L331 HydrophobicContact CG1-CD1 3.76Å; V261-L331 HydrophobicContact CG1-CD2 4.11Å; V261-V335 VanDerWaalsContact CA-O 3.3Å; V261-V335 WeakPolarHBondContact CA-O 3.2Å
262T92.1Very high88.3Confident68 Ų6873.8 Ų73.842%0.41736%0.356SS..SBendtrans-108.8-10.9-179.256.50000114V335 N337T262-V335 PolarHBondContact N-O 2.8Å; T262-V335 WeakPolarHBondContact OG1-CA 3.46Å; T262-V335 PolarHBondContact OG1-O 3Å; T262-N337 WeakPolarHBondContact CG2-ND2 3.4Å
263H88.4Confident88.6Confident34 Ų3466.8 Ų66.816%0.15733%0.326CS..THydrogen-bonded Turntrans-87-3.9-173.265-81.8000114.7F304 Y308 L310 V335H263-F304 AromaticContact CD2-CE1 3.68Å; H263-F304 AromaticContact CE1-CE1 3.79Å; H263-F304 AromaticContact CE1-CZ 3.97Å; H263-F304 AromaticContact CG-CE1 3.8Å; H263-F304 AromaticContact ND1-CE1 3.86Å; H263-F304 AromaticContact NE2-CE1 3.68Å; H263-F304 AromaticContact NE2-CZ 3.94Å; H263-Y308 AromaticContact CD2-CD1 3.97Å; H263-Y308 AromaticContact CD2-CD2 3.88Å; H263-Y308 AromaticContact CD2-CE1 3.86Å; H263-Y308 AromaticContact CD2-CE2 3.77Å; H263-Y308 AromaticContact CD2-CG 3.99Å; H263-Y308 AromaticContact CD2-CZ 3.77Å; H263-Y308 AromaticContact NE2-CE2 3.85Å; H263-Y308 AromaticContact NE2-CZ 3.81Å; H263-L310 HydrophobicContact CB-CD1 3.87Å; H263-V335 HydrophobicContact CB-CB 4.3Å; H263-V335 HydrophobicContact CB-CG1 4.18Å
264C83.3Confident88.6Confident48 Ų4865.3 Ų65.332%0.32432%0.32SS..THydrogen-bonded Turntrans-104.328.9-177.3-58.70000113.7Q266 M267C264-Q266 PolarHBondContact O-N 3.25Å; C264-M267 HydrophobicContact CB-CB 4.19Å; C264-M267 PolarHBondContact O-N 2.99Å; C264-M267 VanDerWaalsContact O-N 3.12Å
265G75.5Confident88.6Confident65 Ų6568.2 Ų68.267%0.6734%0.335SS*.THydrogen-bonded Turntrans60.6-122177.600000112.9M267G265-M267 VanDerWaalsContact C-N 3.28Å; G265-M267 PolarHBondContact O-N 3.23Å
266Q66.8Low88.8Confident200 Ų20062.5 Ų62.594%0.93531%0.314SS*.THydrogen-bonded Turntrans-72.2-17.5179.4-68.7-174.7-13.900113.6C264 K268C264-Q266 PolarHBondContact O-N 3.25Å; Q266-K268 PolarHBondContact O-N 2.9Å
267M69.2Low89Confident105 Ų10561.5 Ų61.552%0.51730%0.302SS..  trans-83.2102.4178.3-69.3-150.3-173.800111.6C264 G265 R269C264-M267 HydrophobicContact CB-CB 4.19Å; C264-M267 PolarHBondContact O-N 2.99Å; C264-M267 VanDerWaalsContact O-N 3.12Å; G265-M267 VanDerWaalsContact C-N 3.28Å; G265-M267 PolarHBondContact O-N 3.23Å; M267-R269 PolarHBondContact O-N 3.35Å
268K74.6Confident89Confident117 Ų11769.2 Ų69.251%0.50933%0.33SS..  trans-92.657.1179.9-65.9-171177.3-175.20113.4Q266 K270Q266-K268 PolarHBondContact O-N 2.9Å; K268-K270 PolarHBondContact O-N 3.14Å
269R85.1Confident89Confident150 Ų15072.4 Ų72.457%0.56634%0.34SS*.  trans-58.2130-174.9-171.3168.3174.9-171.51.5111.9E114 E260 V261 M267 Y271E114-R269 WeakPolarHBondContact OE2-CA 3.35Å; E260-R269 WeakPolarHBondContact CA-O 3.39Å; V261-R269 HydrophobicContact CG2-CB 4Å; V261-R269 PolarHBondContact N-O 3.4Å; V261-R269 VanDerWaalsContact N-O 3.13Å; M267-R269 PolarHBondContact O-N 3.35Å; R269-Y271 HydrophobicContact CB-CE2 4.11Å; R269-Y271 WeakPolarHBondContact CD-OH 3.3Å; R269-Y271 HydrophobicContact CG-CD2 4.39Å; R269-Y271 HydrophobicContact CG-CE2 3.7Å; R269-Y271 PolarHBondContact NE-OH 3.41Å; R269-Y271 VanDerWaalsContact NE-OH 3.1Å; R269-Y271 PolarHBondContact NH1-OH 3.39Å
270K90.8Very high89.1Confident103 Ų10373.5 Ų73.545%0.44835%0.347SS..EExtended strand (participates in β ladder)trans-97.6138.5-179.6-67.5163.4-170.6141.60112.1E114 V259 E260 K268 V339E114-K270 IonicContact OE1-NZ 2.77Å; E114-K270 PolarHBondContact OE1-NZ 2.85Å; V259-K270 CarbonylContact O-C 3.5Å; V259-K270 WeakPolarHBondContact O-CA 3.44Å; E260-K270 HydrophobicContact CB-CG 4.08Å; K268-K270 PolarHBondContact O-N 3.14Å; K270-V339 HydrophobicContact CG-CG2 4.1Å
271Y93.1Very high89.1Confident45 Ų4571.9 Ų71.918%0.17634%0.34CS..EExtended strand (participates in β ladder)trans-132.8155.5177.8-65.8-85.1000111.4K258 V259 V261 R269 V322 L331K258-Y271 CarbonylContact C-O 3.55Å; K258-Y271 WeakPolarHBondContact CA-O 3.46Å; V259-Y271 PolarHBondContact N-O 2.77Å; V259-Y271 PolarHBondContact O-N 2.82Å; V261-Y271 HydrophobicContact CG1-CD2 4.05Å; V261-Y271 HydrophobicContact CG1-CE2 3.86Å; R269-Y271 HydrophobicContact CB-CE2 4.11Å; R269-Y271 WeakPolarHBondContact CD-OH 3.3Å; R269-Y271 HydrophobicContact CG-CD2 4.39Å; R269-Y271 HydrophobicContact CG-CE2 3.7Å; R269-Y271 PolarHBondContact NE-OH 3.41Å; R269-Y271 VanDerWaalsContact NE-OH 3.1Å; R269-Y271 PolarHBondContact NH1-OH 3.39Å; Y271-V322 HydrophobicContact CD1-CB 4.33Å; Y271-V322 HydrophobicContact CD1-CG2 3.7Å; Y271-V322 HydrophobicContact CE1-CG2 4.32Å; Y271-V322 HydrophobicContact CG-CB 4.27Å; Y271-V322 HydrophobicContact CG-CG2 3.84Å; Y271-L331 HydrophobicContact CD2-CD1 3.91Å; Y271-L331 HydrophobicContact CE2-CD1 4.3Å; Y271-L331 HydrophobicContact CG-CD1 4.36Å
272R94.6Very high89.3Confident134 Ų13473.6 Ų73.651%0.50635%0.352SS..EExtended strand (participates in β ladder)trans-102.2129.6168.5-172.6179.3-61.8-85.87.7109.6G256 C274 V322 G323G256-R272 PolarHBondContact O-NH1 3.17Å; R272-C274 PolarHBondContact O-N 2.72Å; R272-V322 WeakPolarHBondContact O-CA 3.43Å; R272-G323 PolarHBondContact O-N 3.23Å
273V96.1Very high89.5Confident1 Ų176.2 Ų76.21%0.00636%0.359CS..EExtended strand (participates in β ladder)trans-73.7122.7176.6-175.40000109.6I254 G256 L257 V259 N275 L320 V322I254-V273 HydrophobicContact CG1-CG2 4.3Å; I254-V273 HydrophobicContact CG2-CG1 4.29Å; G256-V273 WeakPolarHBondContact CA-O 3.49Å; G256-V273 PolarHBondContact N-O 2.72Å; L257-V273 PolarHBondContact O-N 3.14Å; V259-V273 HydrophobicContact CG1-CG2 3.82Å; V259-V273 HydrophobicContact CG2-CG2 3.89Å; V273-N275 WeakPolarHBondContact CG1-O 3.41Å; V273-L320 HydrophobicContact CG1-CB 4.36Å; V273-L320 HydrophobicContact CG1-CD2 4.26Å; V273-L320 HydrophobicContact CG2-CB 4.45Å; V273-L320 HydrophobicContact CG2-CD1 3.88Å; V273-V322 HydrophobicContact CG2-CG1 4.21Å
274C94.3Very high89.9Confident13 Ų1375.6 Ų75.69%0.08836%0.357CS..EExtended strand (participates in β ladder)trans-103.8-28.9176.162.10000112.1R255 R272 Q321 E325R255-C274 WeakPolarHBondContact CD-O 3.3Å; R255-C274 WeakPolarHBondContact CG-O 3.39Å; R255-C274 PolarHBondContact NE-O 3.31Å; R272-C274 PolarHBondContact O-N 2.72Å; C274-Q321 PolarHBondContact N-O 2.98Å; C274-Q321 VanDerWaalsContact SG-C 3.53Å; C274-Q321 PolarHBondContact SG-O 2.85Å; C274-E325 HydrophobicContact CB-CG 3.43Å; C274-E325 VanDerWaalsContact CB-CG 3.43Å
275N96Very high90.5Very high61 Ų6175.1 Ų75.133%0.32635%0.352SS..EExtended strand (participates in β ladder)trans-156.3175.2177-146.9-12.3000113.1V273 Q321V273-N275 WeakPolarHBondContact CG1-O 3.41Å; N275-Q321 HydrophobicContact CB-CB 3.97Å; N275-Q321 PolarHBondContact N-O 2.84Å; N275-Q321 PolarHBondContact O-N 2.84Å
276V97.2Very high91.5Very high4 Ų473.5 Ų73.52%0.02433%0.327CS..EExtended strand (participates in β ladder)trans-123.2132169.2179.60000108.3R247 F250 T251 I254 P318 C319 L320R247-V276 HydrophobicContact CG-CG1 4.49Å; F250-V276 HydrophobicContact CD1-CG1 4.14Å; F250-V276 HydrophobicContact CD1-CG2 4.05Å; F250-V276 HydrophobicContact CE1-CG1 4.17Å; F250-V276 HydrophobicContact CE1-CG2 3.95Å; T251-V276 HydrophobicContact CG2-CB 4.26Å; T251-V276 HydrophobicContact CG2-CG2 4.16Å; T251-V276 WeakPolarHBondContact OG1-CB 3.41Å; I254-V276 HydrophobicContact CG2-CG2 3.62Å; V276-P318 HydrophobicContact CG1-CB 3.74Å; V276-P318 HydrophobicContact CG1-CG 3.74Å; V276-C319 WeakPolarHBondContact CA-O 3.46Å; V276-L320 HydrophobicContact CG2-CD2 4.13Å
277T96.7Very high92.7Very high10 Ų1067 Ų676%0.06130%0.302CS..EExtended strand (participates in β ladder)trans-67.6150.3-174.762.70000111.8R247 R279 Q284 P318 C319 Y330R247-T277 WeakPolarHBondContact CD-O 3.2Å; T277-R279 PolarHBondContact OG1-O 3.29Å; T277-Q284 HydrophobicContact CG2-CG 4.02Å; T277-P318 WeakPolarHBondContact O-CB 3.44Å; T277-C319 HydrophobicContact CG2-CB 3.97Å; T277-C319 PolarHBondContact N-O 3.24Å; T277-C319 PolarHBondContact OG1-N 3.32Å; T277-C319 PolarHBondContact OG1-O 2.78Å; T277-Y330 HydrophobicContact CG2-CD1 3.6Å; T277-Y330 HydrophobicContact CG2-CE1 3.75Å; T277-Y330 HydrophobicContact CG2-CG 4.41Å
278R95.1Very high93.6Very high175 Ų17563.8 Ų63.866%0.6629%0.287SS*.EExtended strand (participates in β ladder)trans-74.1-41170.8-176.4172.1-179.5146.48.2111.6D244 R247D244-R278 IonicContact OD2-NH2 2.87Å; D244-R278 PolarHBondContact OD2-NH2 2.81Å; R247-R278 VanDerWaalsContact NH1-CA 3.26Å; R247-R278 VanDerWaalsContact NH1-CB 3.3Å
279R95.8Very high94.1Very high146 Ų14665.9 Ų65.955%0.55130%0.298SS*.EExtended strand (participates in β ladder)trans-81.6145.9179.9-64.5-177.9-178.3174.11.6110.2T277 H283 Q284T277-R279 PolarHBondContact OG1-O 3.29Å; R279-H283 HydrophobicContact CB-CB 4.47Å; R279-Q284 HydrophobicContact CB-CB 4.21Å
280P97.1Very high93.8Very high24 Ų2461.8 Ų61.816%0.15629%0.287CS..EExtended strand (participates in β ladder)trans-68.8163.1173.632.3-38000111.5S282 H283 Q284 H316 L317P280-S282 PolarHBondContact O-N 3.43Å; P280-S282 VanDerWaalsContact O-N 3.13Å; P280-H283 HydrophobicContact CG-CB 4.07Å; P280-H283 CarbonylContact O-C 3.54Å; P280-H283 PolarHBondContact O-N 3.12Å; P280-Q284 WeakPolarHBondContact O-CB 3.27Å; P280-Q284 PolarHBondContact O-N 3.1Å; P280-H316 VanDerWaalsContact CB-O 3.27Å; P280-H316 WeakPolarHBondContact CB-O 3.44Å; P280-L317 CarbonylContact C-O 3.56Å; P280-L317 VanDerWaalsContact CA-O 3.31Å; P280-L317 WeakPolarHBondContact CA-O 3.34Å
281A96.8Very high93.1Very high2 Ų267 Ų672%0.01731%0.313CS..THydrogen-bonded Turntrans-57.6-29.4-178.700000113.8H283 A301 L312 P315 L317 C319A281-H283 VanDerWaalsContact C-N 3.29Å; A281-H283 PolarHBondContact O-N 3.28Å; A281-A301 PolarHBondContact O-N 2.8Å; A281-L312 HydrophobicContact CB-CD1 3.96Å; A281-P315 PolarHBondContact N-O 3.19Å; A281-L317 PolarHBondContact N-O 2.87Å; A281-C319 VanDerWaalsContact CA-SG 3.59Å; A281-C319 VanDerWaalsContact CB-SG 3.57Å
282S96.4Very high92.3Very high41 Ų4169.7 Ų69.729%0.28733%0.331SS..THydrogen-bonded Turntrans-65.7-25.4173.446.10000114.5P280 T299 P315P280-S282 PolarHBondContact O-N 3.43Å; P280-S282 VanDerWaalsContact O-N 3.13Å; S282-T299 WeakPolarHBondContact O-CG2 3.39Å; S282-P315 WeakPolarHBondContact CB-O 3.34Å; S282-P315 PolarHBondContact N-O 2.74Å; S282-P315 PolarHBondContact OG-O 2.95Å
283H96.8Very high91.4Very high122 Ų12266.1 Ų66.157%0.56534%0.336SS*.THydrogen-bonded Turntrans-124-10.1-174.1-64.476.4000113.6R279 P280 A281 T285R279-H283 HydrophobicContact CB-CB 4.47Å; P280-H283 HydrophobicContact CG-CB 4.07Å; P280-H283 CarbonylContact O-C 3.54Å; P280-H283 PolarHBondContact O-N 3.12Å; A281-H283 VanDerWaalsContact C-N 3.29Å; A281-H283 PolarHBondContact O-N 3.28Å; H283-T285 PolarHBondContact O-N 2.92Å
284Q97.4Very high90.6Very high22 Ų2272.1 Ų72.110%0.10336%0.364CS..  trans-73.8121.6174.2179.260.456.700108.3T277 R279 P280 T299 V300 Y330T277-Q284 HydrophobicContact CG2-CG 4.02Å; R279-Q284 HydrophobicContact CB-CB 4.21Å; P280-Q284 WeakPolarHBondContact O-CB 3.27Å; P280-Q284 PolarHBondContact O-N 3.1Å; Q284-T299 CarbonylContact O-C 3.57Å; Q284-T299 VanDerWaalsContact O-CA 3.28Å; Q284-T299 WeakPolarHBondContact O-CA 3.36Å; Q284-V300 HydrophobicContact CB-CG2 4.17Å; Q284-V300 HydrophobicContact CG-CG2 3.97Å; Q284-V300 PolarHBondContact O-N 3.4Å; Q284-Y330 HydrophobicContact CG-CD2 4.03Å; Q284-Y330 HydrophobicContact CG-CE2 4.25Å; Q284-Y330 HydrophobicContact CG-CG 4.21Å
285T96.1Very high90Very high37 Ų3775.1 Ų75.123%0.22739%0.39CS..EExtended strand (participates in β ladder)trans-111.6163.1-179.561.60000111.8H283 E297 C298 T299 Y330H283-T285 PolarHBondContact O-N 2.92Å; T285-E297 WeakPolarHBondContact CB-OE2 3.28Å; T285-E297 PolarHBondContact OG1-OE2 2.96Å; T285-C298 VanDerWaalsContact CA-O 3.26Å; T285-C298 WeakPolarHBondContact CA-O 3.25Å; T285-T299 HydrophobicContact CG2-CG2 3.78Å; T285-Y330 WeakPolarHBondContact O-CE2 3.4Å
286F95.1Very high89.5Confident31 Ų3176.1 Ų76.114%0.13639%0.393CS..EExtended strand (participates in β ladder)trans-150.8155169.665-81.9000109.7L288 C298 V300 Y303 H328 Y330F286-L288 HydrophobicContact CE2-CB 4.05Å; F286-L288 HydrophobicContact CE2-CD1 4Å; F286-L288 PolarHBondContact O-N 3.43Å; F286-C298 WeakPolarHBondContact CD1-O 3.29Å; F286-C298 PolarHBondContact N-O 2.8Å; F286-C298 PolarHBondContact O-N 3.5Å; F286-V300 HydrophobicContact CD1-CG2 4.18Å; F286-V300 HydrophobicContact CE1-CG2 4.34Å; F286-Y303 HydrophobicContact CE1-CG 4.19Å; F286-Y303 HydrophobicContact CZ-CD1 4.04Å; F286-Y303 AromaticContact CZ-CD2 3.8Å; F286-Y303 HydrophobicContact CZ-CD2 3.8Å; F286-Y303 HydrophobicContact CZ-CE2 4.36Å; F286-Y303 AromaticContact CZ-CG 3.62Å; F286-Y303 HydrophobicContact CZ-CG 3.62Å; F286-H328 HydrophobicContact CB-CB 4Å; F286-Y330 HydrophobicContact CB-CD2 4.07Å; F286-Y330 HydrophobicContact CB-CE2 3.93Å; F286-Y330 HydrophobicContact CD1-CD2 4.43Å
287P92Very high89.2Confident64 Ų6481.3 Ų81.342%0.41642%0.417SS..EExtended strand (participates in β ladder)trans-72.5115.9175.827.9-33.7000110
288L88.8Confident89Confident38 Ų3880.9 Ų80.920%0.19942%0.415CS..EExtended strand (participates in β ladder)trans-103.6121.1174.7-17969.2000109.1F286 L290 M296 C298 Y303F286-L288 HydrophobicContact CE2-CB 4.05Å; F286-L288 HydrophobicContact CE2-CD1 4Å; F286-L288 PolarHBondContact O-N 3.43Å; L288-L290 PolarHBondContact O-N 2.95Å; L288-M296 PolarHBondContact N-O 3.17Å; L288-M296 PolarHBondContact O-N 3.03Å; L288-C298 HydrophobicContact CB-CB 3.98Å; L288-C298 HydrophobicContact CD2-CB 4.06Å; L288-Y303 HydrophobicContact CD1-CD2 4.16Å; L288-Y303 HydrophobicContact CD1-CE2 3.9Å; L288-Y303 HydrophobicContact CD2-CD2 4.13Å
289Q84.2Confident89.1Confident160 Ų16073.5 Ų73.575%0.74839%0.389SS*.EExtended strand (participates in β ladder)trans-75.2123.7170.9-80.4179.3-23.400110
290L79.4Confident89.1Confident64 Ų6466.6 Ų66.634%0.33536%0.363SS..PPolyproline II helixtrans-81.7163.1171.9-64174.2000110.3L288 N292 G293 Q294 M296L288-L290 PolarHBondContact O-N 2.95Å; L290-N292 VanDerWaalsContact CB-OD1 3.25Å; L290-N292 WeakPolarHBondContact CB-OD1 3.41Å; L290-N292 PolarHBondContact O-N 3.22Å; L290-N292 VanDerWaalsContact O-N 3.12Å; L290-G293 PolarHBondContact O-N 3.45Å; L290-Q294 PolarHBondContact N-O 2.85Å; L290-M296 HydrophobicContact CD1-CB 3.94Å; L290-M296 HydrophobicContact CD1-SD 4.3Å; L290-M296 HydrophobicContact CD2-CE 3.97Å; L290-M296 HydrophobicContact CG-CB 4.19Å
291E76.7Confident89.1Confident213 Ų21366.5 Ų66.5100%0.99536%0.364SS*.THydrogen-bonded Turntrans-60.9-22.8-179.1-66.7-178171.100113.2G293E291-G293 PolarHBondContact O-N 2.82Å
292N77.1Confident89Confident101 Ų10171.2 Ų71.254%0.5439%0.386SS..THydrogen-bonded Turntrans-825.6174.769.4-2.7000113.9L290 Q294L290-N292 VanDerWaalsContact CB-OD1 3.25Å; L290-N292 WeakPolarHBondContact CB-OD1 3.41Å; L290-N292 PolarHBondContact O-N 3.22Å; L290-N292 VanDerWaalsContact O-N 3.12Å; N292-Q294 VanDerWaalsContact C-N 3.28Å; N292-Q294 PolarHBondContact ND2-OE1 3.27Å; N292-Q294 PolarHBondContact O-N 2.92Å; N292-Q294 WeakPolarHBondContact OD1-CB 3.35Å; N292-Q294 PolarHBondContact OD1-N 3.24Å
293G75Confident89Confident59 Ų5971.8 Ų71.861%0.60838%0.382SS*.SBendtrans80.6-4.718000000115.4L290 E291L290-G293 PolarHBondContact O-N 3.45Å; E291-G293 PolarHBondContact O-N 2.82Å
294Q78.6Confident88.9Confident128 Ų12866.2 Ų66.260%0.59836%0.356SS*.  trans-78.9141.4176.4-65.6-178.5-18.800111.3L290 N292L290-Q294 PolarHBondContact N-O 2.85Å; N292-Q294 VanDerWaalsContact C-N 3.28Å; N292-Q294 PolarHBondContact ND2-OE1 3.27Å; N292-Q294 PolarHBondContact O-N 2.92Å; N292-Q294 WeakPolarHBondContact OD1-CB 3.35Å; N292-Q294 PolarHBondContact OD1-N 3.24Å
295A81.2Confident88.8Confident76 Ų7671.5 Ų71.563%0.62838%0.379SS*.EExtended strand (participates in β ladder)trans-90.5120.5173.700000110
296M86.6Confident88.6Confident81 Ų8176.2 Ų76.240%0.39940%0.398SS..EExtended strand (participates in β ladder)trans-110.8133.5175179.9175.572.200109.7L288 L290 C298L288-M296 PolarHBondContact N-O 3.17Å; L288-M296 PolarHBondContact O-N 3.03Å; L290-M296 HydrophobicContact CD1-CB 3.94Å; L290-M296 HydrophobicContact CD1-SD 4.3Å; L290-M296 HydrophobicContact CD2-CE 3.97Å; L290-M296 HydrophobicContact CG-CB 4.19Å; M296-C298 PolarHBondContact O-N 2.77Å
297E89.8Confident88.4Confident113 Ų11381.3 Ų81.353%0.52842%0.421SS..EExtended strand (participates in β ladder)trans-70114.8169.6-81.7-73.5132.600109.3T285T285-E297 WeakPolarHBondContact CB-OE2 3.28Å; T285-E297 PolarHBondContact OG1-OE2 2.96Å
298C93.1Very high88.4Confident2 Ų282.3 Ų82.31%0.01442%0.417CS..EExtended strand (participates in β ladder)trans-115.6136.3179-171.60000109.6T285 F286 L288 M296T285-C298 VanDerWaalsContact CA-O 3.26Å; T285-C298 WeakPolarHBondContact CA-O 3.25Å; F286-C298 WeakPolarHBondContact CD1-O 3.29Å; F286-C298 PolarHBondContact N-O 2.8Å; F286-C298 PolarHBondContact O-N 3.5Å; L288-C298 HydrophobicContact CB-CB 3.98Å; L288-C298 HydrophobicContact CD2-CB 4.06Å; M296-C298 PolarHBondContact O-N 2.77Å
299T96.4Very high88.6Confident20 Ų2085.8 Ų85.812%0.12344%0.444CS..EExtended strand (participates in β ladder)trans-71.8150.8171.465.50000110.8S282 Q284 T285 A301 Q302 Y303S282-T299 WeakPolarHBondContact O-CG2 3.39Å; Q284-T299 CarbonylContact O-C 3.57Å; Q284-T299 VanDerWaalsContact O-CA 3.28Å; Q284-T299 WeakPolarHBondContact O-CA 3.36Å; T285-T299 HydrophobicContact CG2-CG2 3.78Å; T299-A301 VanDerWaalsContact C-N 3.28Å; T299-A301 PolarHBondContact O-N 3.34Å; T299-Q302 PolarHBondContact O-N 3.11Å; T299-Q302 VanDerWaalsContact OG1-CB 3.25Å; T299-Q302 WeakPolarHBondContact OG1-CB 3.43Å; T299-Q302 WeakPolarHBondContact OG1-CG 3.43Å; T299-Q302 PolarHBondContact OG1-N 2.71Å; T299-Q302 VanDerWaalsContact OG1-N 3.14Å; T299-Q302 PolarHBondContact OG1-OE1 3.26Å; T299-Y303 WeakPolarHBondContact O-CB 3.45Å; T299-Y303 PolarHBondContact O-N 3.01Å
300V97.1Very high89Confident1 Ų180.3 Ų80.31%0.00642%0.42CS..Hα-helixtrans-57.7-43.6175.6178.40000110.8Q284 F286 Y303 F304 Y330 P332Q284-V300 HydrophobicContact CB-CG2 4.17Å; Q284-V300 HydrophobicContact CG-CG2 3.97Å; Q284-V300 PolarHBondContact O-N 3.4Å; F286-V300 HydrophobicContact CD1-CG2 4.18Å; F286-V300 HydrophobicContact CE1-CG2 4.34Å; V300-Y303 PolarHBondContact O-N 2.74Å; V300-F304 HydrophobicContact CG1-CD2 3.93Å; V300-F304 HydrophobicContact CG1-CE2 4.02Å; V300-F304 WeakPolarHBondContact O-CD2 3.36Å; V300-F304 PolarHBondContact O-N 2.9Å; V300-F304 VanDerWaalsContact O-N 3.09Å; V300-Y330 HydrophobicContact CG2-CD2 4.23Å; V300-Y330 HydrophobicContact CG2-CG 4.38Å; V300-P332 HydrophobicContact CG1-CG 3.66Å
301A96.3Very high89.8Confident22 Ų2284.8 Ų84.818%0.18244%0.439CS..Hα-helixtrans-62.2-44.2178.400000113.3A281 T299 K305 L312A281-A301 PolarHBondContact O-N 2.8Å; T299-A301 VanDerWaalsContact C-N 3.28Å; T299-A301 PolarHBondContact O-N 3.34Å; A301-K305 PolarHBondContact O-N 3.44Å; A301-K305 VanDerWaalsContact O-N 3.12Å; A301-L312 HydrophobicContact CB-CD1 3.92Å
302Q95.3Very high90.7Very high101 Ų10175.5 Ų75.547%0.47240%0.396SS..Hα-helixtrans-65.6-42.4177.4-73.8162.7-24.100111.5T299 F304 K305 Q306T299-Q302 PolarHBondContact O-N 3.11Å; T299-Q302 VanDerWaalsContact OG1-CB 3.25Å; T299-Q302 WeakPolarHBondContact OG1-CB 3.43Å; T299-Q302 WeakPolarHBondContact OG1-CG 3.43Å; T299-Q302 PolarHBondContact OG1-N 2.71Å; T299-Q302 VanDerWaalsContact OG1-N 3.14Å; T299-Q302 PolarHBondContact OG1-OE1 3.26Å; Q302-F304 PolarHBondContact O-N 3.02Å; Q302-K305 PolarHBondContact O-N 3.16Å; Q302-Q306 WeakPolarHBondContact O-CB 3.3Å; Q302-Q306 WeakPolarHBondContact O-CG 3.44Å; Q302-Q306 PolarHBondContact O-N 3.11Å
303Y95.4Very high91.5Very high53 Ų5378.5 Ų78.521%0.20841%0.405CS..Hα-helixtrans-58-47.5177.9176-105.3000111.8F286 L288 T299 V300 K305 Q306 K307 Y308F286-Y303 HydrophobicContact CE1-CG 4.19Å; F286-Y303 HydrophobicContact CZ-CD1 4.04Å; F286-Y303 AromaticContact CZ-CD2 3.8Å; F286-Y303 HydrophobicContact CZ-CD2 3.8Å; F286-Y303 HydrophobicContact CZ-CE2 4.36Å; F286-Y303 AromaticContact CZ-CG 3.62Å; F286-Y303 HydrophobicContact CZ-CG 3.62Å; L288-Y303 HydrophobicContact CD1-CD2 4.16Å; L288-Y303 HydrophobicContact CD1-CE2 3.9Å; L288-Y303 HydrophobicContact CD2-CD2 4.13Å; T299-Y303 WeakPolarHBondContact O-CB 3.45Å; T299-Y303 PolarHBondContact O-N 3.01Å; V300-Y303 PolarHBondContact O-N 2.74Å; Y303-K305 VanDerWaalsContact C-N 3.34Å; Y303-K305 PolarHBondContact O-N 2.7Å; Y303-Q306 PolarHBondContact O-N 3.41Å; Y303-K307 HydrophobicContact CD2-CB 4.28Å; Y303-K307 HydrophobicContact CE1-CB 4.49Å; Y303-K307 HydrophobicContact CE2-CB 3.98Å; Y303-K307 HydrophobicContact CE2-CG 4.12Å; Y303-K307 VanDerWaalsContact O-CB 3.25Å; Y303-K307 WeakPolarHBondContact O-CB 3.17Å; Y303-K307 PolarHBondContact O-N 2.87Å; Y303-Y308 HydrophobicContact CD1-CE2 4.43Å; Y303-Y308 HydrophobicContact CE1-CD2 4.46Å; Y303-Y308 AromaticContact CE1-CE2 3.69Å; Y303-Y308 HydrophobicContact CE1-CE2 3.69Å
304F96Very high92.5Very high5 Ų578 Ų782%0.02239%0.385CS..Hα-helixtrans-66-36.1179-88-100000112.8H263 V300 Q302 Y308 S309 L310 P332 V335H263-F304 AromaticContact CD2-CE1 3.68Å; H263-F304 AromaticContact CE1-CE1 3.79Å; H263-F304 AromaticContact CE1-CZ 3.97Å; H263-F304 AromaticContact CG-CE1 3.8Å; H263-F304 AromaticContact ND1-CE1 3.86Å; H263-F304 AromaticContact NE2-CE1 3.68Å; H263-F304 AromaticContact NE2-CZ 3.94Å; V300-F304 HydrophobicContact CG1-CD2 3.93Å; V300-F304 HydrophobicContact CG1-CE2 4.02Å; V300-F304 WeakPolarHBondContact O-CD2 3.36Å; V300-F304 PolarHBondContact O-N 2.9Å; V300-F304 VanDerWaalsContact O-N 3.09Å; Q302-F304 PolarHBondContact O-N 3.02Å; F304-Y308 AromaticContact CD1-CD2 3.85Å; F304-Y308 HydrophobicContact CD1-CD2 3.85Å; F304-Y308 HydrophobicContact CD1-CE2 4.45Å; F304-Y308 HydrophobicContact CE1-CD2 4.09Å; F304-Y308 HydrophobicContact CE1-CE2 4.3Å; F304-Y308 HydrophobicContact CG-CD2 4.27Å; F304-Y308 PolarHBondContact O-N 3.12Å; F304-S309 PolarHBondContact O-N 3.13Å; F304-L310 CarbonylContact C-O 3.58Å; F304-L310 PolarHBondContact O-N 3.2Å; F304-L310 VanDerWaalsContact O-N 3.11Å; F304-P332 HydrophobicContact CD1-CG 4.48Å; F304-P332 HydrophobicContact CD2-CG 3.94Å; F304-P332 HydrophobicContact CE1-CG 4.38Å; F304-P332 HydrophobicContact CE2-CG 3.83Å; F304-P332 HydrophobicContact CG-CG 4.27Å; F304-P332 VanDerWaalsContact CZ-CD 3.46Å; F304-P332 HydrophobicContact CZ-CG 4.07Å; F304-V335 HydrophobicContact CD1-CG1 4.43Å; F304-V335 HydrophobicContact CE1-CB 4.48Å; F304-V335 HydrophobicContact CE1-CG1 4.14Å; F304-V335 HydrophobicContact CE1-CG2 3.93Å; F304-V335 HydrophobicContact CZ-CG2 4.16Å
305K94.9Very high93.3Very high132 Ų13274 Ų7457%0.57437%0.37SS*.Hα-helixtrans-65.4-42.4174.5-171.5178.2-178.9-179.10112.1A301 Q302 Y303 S309 L310A301-K305 PolarHBondContact O-N 3.44Å; A301-K305 VanDerWaalsContact O-N 3.12Å; Q302-K305 PolarHBondContact O-N 3.16Å; Y303-K305 VanDerWaalsContact C-N 3.34Å; Y303-K305 PolarHBondContact O-N 2.7Å; K305-S309 VanDerWaalsContact O-CA 3.28Å; K305-S309 WeakPolarHBondContact O-CA 3.37Å; K305-S309 PolarHBondContact O-N 3.48Å; K305-L310 WeakPolarHBondContact CA-O 3.01Å; K305-L310 PolarHBondContact N-O 3.17Å
306Q91.7Very high94Very high136 Ų13672.2 Ų72.264%0.63635%0.348SS*.Hα-helixtrans-80.4-45.9-176.6-70.3175.6-500112.9Q302 Y303Q302-Q306 WeakPolarHBondContact O-CB 3.3Å; Q302-Q306 WeakPolarHBondContact O-CG 3.44Å; Q302-Q306 PolarHBondContact O-N 3.11Å; Y303-Q306 PolarHBondContact O-N 3.41Å
307K90.9Very high94.5Very high139 Ų13968.4 Ų68.460%0.60433%0.33SS*.Hα-helixtrans-81.7-34.9-172.5-173.960.7176.6-179.10113.4Y303Y303-K307 HydrophobicContact CD2-CB 4.28Å; Y303-K307 HydrophobicContact CE1-CB 4.49Å; Y303-K307 HydrophobicContact CE2-CB 3.98Å; Y303-K307 HydrophobicContact CE2-CG 4.12Å; Y303-K307 VanDerWaalsContact O-CB 3.25Å; Y303-K307 WeakPolarHBondContact O-CB 3.17Å; Y303-K307 PolarHBondContact O-N 2.87Å
308Y91.4Very high94.8Very high84 Ų8463.4 Ų63.433%0.32931%0.307SS..SBendtrans-119.55.3-173-58.8-69.9000113.3H263 Y303 F304 L310H263-Y308 AromaticContact CD2-CD1 3.97Å; H263-Y308 AromaticContact CD2-CD2 3.88Å; H263-Y308 AromaticContact CD2-CE1 3.86Å; H263-Y308 AromaticContact CD2-CE2 3.77Å; H263-Y308 AromaticContact CD2-CG 3.99Å; H263-Y308 AromaticContact CD2-CZ 3.77Å; H263-Y308 AromaticContact NE2-CE2 3.85Å; H263-Y308 AromaticContact NE2-CZ 3.81Å; Y303-Y308 HydrophobicContact CD1-CE2 4.43Å; Y303-Y308 HydrophobicContact CE1-CD2 4.46Å; Y303-Y308 AromaticContact CE1-CE2 3.69Å; Y303-Y308 HydrophobicContact CE1-CE2 3.69Å; F304-Y308 AromaticContact CD1-CD2 3.85Å; F304-Y308 HydrophobicContact CD1-CD2 3.85Å; F304-Y308 HydrophobicContact CD1-CE2 4.45Å; F304-Y308 HydrophobicContact CE1-CD2 4.09Å; F304-Y308 HydrophobicContact CE1-CE2 4.3Å; F304-Y308 HydrophobicContact CG-CD2 4.27Å; F304-Y308 PolarHBondContact O-N 3.12Å; Y308-L310 PolarHBondContact O-N 3.49Å; Y308-L310 VanDerWaalsContact O-N 3.09Å
309S93.2Very high95.1Very high112 Ų11263.3 Ų63.378%0.78331%0.306SS*.  trans51.432.1-174.4-58.10000112.9F304 K305F304-S309 PolarHBondContact O-N 3.13Å; K305-S309 VanDerWaalsContact O-CA 3.28Å; K305-S309 WeakPolarHBondContact O-CA 3.37Å; K305-S309 PolarHBondContact O-N 3.48Å
310L93.7Very high95.2Very high45 Ų4562.3 Ų62.324%0.23630%0.3CS..  trans-109.8107.7-172-167155.4000109.9H263 F304 K305 Y308 L312 V335H263-L310 HydrophobicContact CB-CD1 3.87Å; F304-L310 CarbonylContact C-O 3.58Å; F304-L310 PolarHBondContact O-N 3.2Å; F304-L310 VanDerWaalsContact O-N 3.11Å; K305-L310 WeakPolarHBondContact CA-O 3.01Å; K305-L310 PolarHBondContact N-O 3.17Å; Y308-L310 PolarHBondContact O-N 3.49Å; Y308-L310 VanDerWaalsContact O-N 3.09Å; L310-L312 HydrophobicContact CD2-CD2 3.59Å; L310-L312 HydrophobicContact CD2-CG 4.47Å; L310-V335 HydrophobicContact CD1-CG1 4.03Å; L310-V335 HydrophobicContact CD2-CG1 4.27Å
311Q95.9Very high95.2Very high157 Ų15763.3 Ų63.373%0.73431%0.305SS*.  trans-81.7117.9172.6-177.2169.43.700110K313Q311-K313 PolarHBondContact O-N 3.4Å
312L95.3Very high95.2Very high18 Ų1862.3 Ų62.39%0.09430%0.296CS..  trans-66.9134.2-178.8-61.9178.2000111.6A281 A301 L310 P315 P332 E334A281-L312 HydrophobicContact CB-CD1 3.96Å; A301-L312 HydrophobicContact CB-CD1 3.92Å; L310-L312 HydrophobicContact CD2-CD2 3.59Å; L310-L312 HydrophobicContact CD2-CG 4.47Å; L312-P315 HydrophobicContact CB-CB 4.32Å; L312-P332 HydrophobicContact CD1-CB 4.18Å; L312-P332 HydrophobicContact CD1-CG 3.94Å; L312-P332 HydrophobicContact CD2-CB 3.79Å; L312-P332 HydrophobicContact CD2-CG 3.81Å; L312-E334 WeakPolarHBondContact CA-OE1 3.29Å; L312-E334 HydrophobicContact CD2-CG 3.96Å; L312-E334 WeakPolarHBondContact CD2-OE1 3.43Å
313K94.7Very high94.9Very high165 Ų16559.7 Ų59.772%0.71730%0.297SS*.SBendtrans-77.8-34.3175.3-67-177-179.7-179.50112.2Q311 P315 E334Q311-K313 PolarHBondContact O-N 3.4Å; K313-P315 WeakPolarHBondContact O-CD 3.49Å; K313-E334 PolarHBondContact N-OE1 3.36Å; K313-E334 PolarHBondContact N-OE2 3.38Å; K313-E334 VanDerWaalsContact N-OE2 3.07Å
314Y95.3Very high94.5Very high48 Ų4862.5 Ų62.519%0.18831%0.311CS..  trans-122.458.5-175.9-48.4-74.8000112.6I223 I235 H316 L317 E334I223-Y314 HydrophobicContact CD1-CD2 4.06Å; I223-Y314 HydrophobicContact CG1-CD2 4.45Å; I235-Y314 HydrophobicContact CG1-CD1 4.14Å; I235-Y314 HydrophobicContact CG1-CE1 3.78Å; I235-Y314 HydrophobicContact CG2-CE1 4.08Å; I235-Y314 WeakPolarHBondContact CG2-OH 3.47Å; Y314-H316 PolarHBondContact O-N 2.96Å; Y314-H316 VanDerWaalsContact O-N 3.16Å; Y314-L317 HydrophobicContact CG-CD1 4.14Å; Y314-L317 WeakPolarHBondContact O-CB 3.37Å; Y314-L317 PolarHBondContact O-N 2.82Å; Y314-L317 VanDerWaalsContact O-N 3.12Å; Y314-E334 HydrophobicContact CD2-CB 4.22Å; Y314-E334 WeakPolarHBondContact CD2-OE2 3.15Å; Y314-E334 PolarHBondContact N-OE2 3.24Å
315P95.9Very high94Very high45 Ų4566.8 Ų66.829%0.29233%0.332SS..THydrogen-bonded Turntrans-69.1-12.3-175.431-37.4000114.2A281 S282 L312 K313A281-P315 PolarHBondContact N-O 3.19Å; S282-P315 WeakPolarHBondContact CB-O 3.34Å; S282-P315 PolarHBondContact N-O 2.74Å; S282-P315 PolarHBondContact OG-O 2.95Å; L312-P315 HydrophobicContact CB-CB 4.32Å; K313-P315 WeakPolarHBondContact O-CD 3.49Å
316H94.9Very high93.7Very high37 Ų3768 Ų6817%0.17134%0.339CS..THydrogen-bonded Turntrans-82.2-9.6174.258.8-70.5000113.6Q238 P280 Y314Q238-H316 PolarHBondContact O-CD2 3.44Å; Q238-H316 PolarHBondContact O-NE2 3.04Å; P280-H316 VanDerWaalsContact CB-O 3.27Å; P280-H316 WeakPolarHBondContact CB-O 3.44Å; Y314-H316 PolarHBondContact O-N 2.96Å; Y314-H316 VanDerWaalsContact O-N 3.16Å
317L96.8Very high93.6Very high2 Ų267 Ų671%0.0133%0.333CS..SBendtrans-84.3155.2174.5-65.8-178.6000111.5I223 M226 I235 L242 P280 A281 Y314 L333I223-L317 HydrophobicContact CD1-CD1 3.6Å; M226-L317 HydrophobicContact CE-CD1 3.89Å; M226-L317 HydrophobicContact CE-CD2 4.17Å; M226-L317 HydrophobicContact SD-CD1 4.5Å; M226-L317 HydrophobicContact SD-CD2 4.4Å; I235-L317 HydrophobicContact CD1-CD1 4.25Å; L242-L317 HydrophobicContact CD2-CD2 4.26Å; L242-L317 HydrophobicContact CG-CD2 4.27Å; P280-L317 CarbonylContact C-O 3.56Å; P280-L317 VanDerWaalsContact CA-O 3.31Å; P280-L317 WeakPolarHBondContact CA-O 3.34Å; A281-L317 PolarHBondContact N-O 2.87Å; Y314-L317 HydrophobicContact CG-CD1 4.14Å; Y314-L317 WeakPolarHBondContact O-CB 3.37Å; Y314-L317 PolarHBondContact O-N 2.82Å; Y314-L317 VanDerWaalsContact O-N 3.12Å; L317-L333 HydrophobicContact CB-CD1 4.15Å; L317-L333 HydrophobicContact CD1-CD1 4.2Å
318P97.6Very high93.6Very high7 Ų765.2 Ų65.25%0.04533%0.326CS..EExtended strand (participates in β ladder)trans-69.4172.4177.331-37000112.4L242 V276 T277 L333L242-P318 HydrophobicContact CD1-CG 4.06Å; V276-P318 HydrophobicContact CG1-CB 3.74Å; V276-P318 HydrophobicContact CG1-CG 3.74Å; T277-P318 WeakPolarHBondContact O-CB 3.44Å; P318-L333 WeakPolarHBondContact O-CD2 3.34Å; P318-L333 VanDerWaalsContact O-CG 3.29Å; P318-L333 WeakPolarHBondContact O-CG 3.12Å
319C98.2Very high93.8Very high0 Ų063.9 Ų63.90%033%0.327CS..EExtended strand (participates in β ladder)trans-103.4155.2172.7-570000111.2V276 T277 A281 L331V276-C319 WeakPolarHBondContact CA-O 3.46Å; T277-C319 HydrophobicContact CG2-CB 3.97Å; T277-C319 PolarHBondContact N-O 3.24Å; T277-C319 PolarHBondContact OG1-N 3.32Å; T277-C319 PolarHBondContact OG1-O 2.78Å; A281-C319 VanDerWaalsContact CA-SG 3.59Å; A281-C319 VanDerWaalsContact CB-SG 3.57Å; C319-L331 CarbonylContact C-O 3.57Å; C319-L331 WeakPolarHBondContact CA-O 3.43Å; C319-L331 WeakPolarHBondContact CB-O 3.36Å
320L98.1Very high94Very high0 Ų060.2 Ų60.20%030%0.297CS..EExtended strand (participates in β ladder)trans-81124.7164.1-55-176.8000108.9V222 F250 I254 V259 V273 V276 V322 Y330 L331 L333 C336V222-L320 HydrophobicContact CG1-CD1 4.21Å; V222-L320 HydrophobicContact CG2-CD1 4.25Å; F250-L320 HydrophobicContact CE1-CD2 4.22Å; F250-L320 HydrophobicContact CZ-CD2 4.28Å; I254-L320 HydrophobicContact CD1-CD1 4.07Å; I254-L320 HydrophobicContact CD1-CD2 3.78Å; I254-L320 HydrophobicContact CG2-CD2 4.34Å; V259-L320 HydrophobicContact CG1-CD1 4.01Å; V259-L320 HydrophobicContact CG2-CD1 4.2Å; V273-L320 HydrophobicContact CG1-CB 4.36Å; V273-L320 HydrophobicContact CG1-CD2 4.26Å; V273-L320 HydrophobicContact CG2-CB 4.45Å; V273-L320 HydrophobicContact CG2-CD1 3.88Å; V276-L320 HydrophobicContact CG2-CD2 4.13Å; L320-V322 HydrophobicContact CB-CG1 4.11Å; L320-Y330 CarbonylContact O-C 3.56Å; L320-Y330 WeakPolarHBondContact O-CA 3.16Å; L320-L331 PolarHBondContact N-O 3.07Å; L320-L331 PolarHBondContact O-N 3.48Å; L320-L333 HydrophobicContact CD1-CD2 4.48Å; L320-L333 HydrophobicContact CD2-CD2 3.5Å; L320-L333 VanDerWaalsContact CD2-CD2 3.5Å; L320-L333 HydrophobicContact CG-CD2 3.64Å; L320-C336 HydrophobicContact CD1-CB 4.22Å
321Q97.6Very high94.2Very high22 Ų2258.5 Ų58.510%0.10329%0.288CS..EExtended strand (participates in β ladder)trans-84.5129.3163.7-167.7-175.36.100108.3C274 N275 E325 K327 T329 Y330C274-Q321 PolarHBondContact N-O 2.98Å; C274-Q321 VanDerWaalsContact SG-C 3.53Å; C274-Q321 PolarHBondContact SG-O 2.85Å; N275-Q321 HydrophobicContact CB-CB 3.97Å; N275-Q321 PolarHBondContact N-O 2.84Å; N275-Q321 PolarHBondContact O-N 2.84Å; Q321-E325 PolarHBondContact NE2-O 2.99Å; Q321-K327 PolarHBondContact NE2-O 2.86Å; Q321-T329 WeakPolarHBondContact CA-O 3.46Å; Q321-Y330 HydrophobicContact CB-CD1 4Å; Q321-Y330 HydrophobicContact CB-CE1 4.02Å; Q321-Y330 HydrophobicContact CG-CD1 4.01Å; Q321-Y330 HydrophobicContact CG-CE1 3.71Å
322V95.6Very high94.3Very high1 Ų151.2 Ų51.21%0.00625%0.254CS..EExtended strand (participates in β ladder)trans-131.2156.1-174-59.10000113.1V259 Y271 R272 V273 L320 T329 L331V259-V322 HydrophobicContact CG2-CG1 4.32Å; Y271-V322 HydrophobicContact CD1-CB 4.33Å; Y271-V322 HydrophobicContact CD1-CG2 3.7Å; Y271-V322 HydrophobicContact CE1-CG2 4.32Å; Y271-V322 HydrophobicContact CG-CB 4.27Å; Y271-V322 HydrophobicContact CG-CG2 3.84Å; R272-V322 WeakPolarHBondContact O-CA 3.43Å; V273-V322 HydrophobicContact CG2-CG1 4.21Å; L320-V322 HydrophobicContact CB-CG1 4.11Å; V322-T329 HydrophobicContact CG2-CG2 3.65Å; V322-T329 PolarHBondContact N-O 2.86Å; V322-L331 HydrophobicContact CG1-CD1 3.96Å; V322-L331 HydrophobicContact CG2-CD1 3.82Å; V322-L331 HydrophobicContact CG2-CG 4.07Å
323G90.6Very high94.4Very high46 Ų4650.6 Ų50.647%0.47425%0.25SS..SBendtrans81.8-130.5-179.900000112.3R272R272-G323 PolarHBondContact O-N 3.23Å
324Q86.9Confident94.4Very high111 Ų11145 Ų4552%0.51923%0.227SC..  trans-78.6129179.4-70.1176.1-12.400109.9Q326 K327Q324-Q326 PolarHBondContact O-N 2.95Å; Q324-K327 HydrophobicContact CB-CB 4.25Å; Q324-K327 HydrophobicContact CB-CD 4.24Å; Q324-K327 HydrophobicContact CB-CG 4.07Å; Q324-K327 PolarHBondContact O-N 2.94Å
325E85.6Confident94.5Very high96 Ų9642.9 Ų42.945%0.44922%0.219SC..THydrogen-bonded Turntrans-61.2-27.1-179.6-74.6-175.1178.500112.9R255 C274 Q321 K327R255-E325 IonicContact CZ-OE1 3.02Å; R255-E325 IonicContact NE-OE1 2.83Å; R255-E325 IonicContact NH2-OE1 3.97Å; R255-E325 PolarHBondContact NH2-OE1 3.14Å; R255-E325 IonicContact NH2-OE2 2.81Å; C274-E325 HydrophobicContact CB-CG 3.43Å; C274-E325 VanDerWaalsContact CB-CG 3.43Å; Q321-E325 PolarHBondContact NE2-O 2.99Å; E325-K327 PolarHBondContact O-N 3.22Å
326Q87.3Confident94.5Very high156 Ų15640.7 Ų40.773%0.72921%0.205SC*.THydrogen-bonded Turntrans-76.8-9.1175.9-54.285.8-400113.4Q324Q324-Q326 PolarHBondContact O-N 2.95Å
327K90.6Very high94.6Very high116 Ų11641 Ų4150%0.50421%0.208SC..SBendtrans-103.3160.4179.6-70.3-171.3173177.10111.5Q321 Q324 E325 T329Q321-K327 PolarHBondContact NE2-O 2.86Å; Q324-K327 HydrophobicContact CB-CB 4.25Å; Q324-K327 HydrophobicContact CB-CD 4.24Å; Q324-K327 HydrophobicContact CB-CG 4.07Å; Q324-K327 PolarHBondContact O-N 2.94Å; E325-K327 PolarHBondContact O-N 3.22Å; K327-T329 PolarHBondContact O-N 2.89Å
328H91.1Very high94.7Very high101 Ų10141 Ų4147%0.46821%0.208SC..  trans-103.843.1-171.7-48102.5000112.3F286 Y330F286-H328 HydrophobicContact CB-CB 4Å; H328-Y330 HydrophobicContact CB-CE2 3.84Å; H328-Y330 WeakPolarHBondContact O-CD2 3.23Å; H328-Y330 PolarHBondContact O-N 2.8Å
329T94.9Very high94.5Very high57 Ų5741.6 Ų41.635%0.3521%0.211SC..  trans-89.1106.1178-51.60000109.9Q321 V322 K327Q321-T329 WeakPolarHBondContact CA-O 3.46Å; V322-T329 HydrophobicContact CG2-CG2 3.65Å; V322-T329 PolarHBondContact N-O 2.86Å; K327-T329 PolarHBondContact O-N 2.89Å
330Y97.5Very high94.2Very high35 Ų3544.3 Ų44.314%0.13723%0.234CC..EExtended strand (participates in β ladder)trans-114.2132.6-177.4-53.9-59.9000111.4T277 Q284 T285 F286 V300 L320 Q321 H328T277-Y330 HydrophobicContact CG2-CD1 3.6Å; T277-Y330 HydrophobicContact CG2-CE1 3.75Å; T277-Y330 HydrophobicContact CG2-CG 4.41Å; Q284-Y330 HydrophobicContact CG-CD2 4.03Å; Q284-Y330 HydrophobicContact CG-CE2 4.25Å; Q284-Y330 HydrophobicContact CG-CG 4.21Å; T285-Y330 WeakPolarHBondContact O-CE2 3.4Å; F286-Y330 HydrophobicContact CB-CD2 4.07Å; F286-Y330 HydrophobicContact CB-CE2 3.93Å; F286-Y330 HydrophobicContact CD1-CD2 4.43Å; V300-Y330 HydrophobicContact CG2-CD2 4.23Å; V300-Y330 HydrophobicContact CG2-CG 4.38Å; L320-Y330 CarbonylContact O-C 3.56Å; L320-Y330 WeakPolarHBondContact O-CA 3.16Å; Q321-Y330 HydrophobicContact CB-CD1 4Å; Q321-Y330 HydrophobicContact CB-CE1 4.02Å; Q321-Y330 HydrophobicContact CG-CD1 4.01Å; Q321-Y330 HydrophobicContact CG-CE1 3.71Å; H328-Y330 HydrophobicContact CB-CE2 3.84Å; H328-Y330 WeakPolarHBondContact O-CD2 3.23Å; H328-Y330 PolarHBondContact O-N 2.8Å
331L97.6Very high93.9Very high9 Ų945.4 Ų45.45%0.04725%0.245CC..EExtended strand (participates in β ladder)trans-119.2127.2177.1-60.2176.3000110.2V261 Y271 C319 L320 V322V261-L331 HydrophobicContact CG1-CD1 3.76Å; V261-L331 HydrophobicContact CG1-CD2 4.11Å; Y271-L331 HydrophobicContact CD2-CD1 3.91Å; Y271-L331 HydrophobicContact CE2-CD1 4.3Å; Y271-L331 HydrophobicContact CG-CD1 4.36Å; C319-L331 CarbonylContact C-O 3.57Å; C319-L331 WeakPolarHBondContact CA-O 3.43Å; C319-L331 WeakPolarHBondContact CB-O 3.36Å; L320-L331 PolarHBondContact N-O 3.07Å; L320-L331 PolarHBondContact O-N 3.48Å; V322-L331 HydrophobicContact CG1-CD1 3.96Å; V322-L331 HydrophobicContact CG2-CD1 3.82Å; V322-L331 HydrophobicContact CG2-CG 4.07Å
332P97.9Very high93.7Very high4 Ų445.4 Ų45.43%0.02625%0.245CC..EExtended strand (participates in β ladder)trans-56.4145.9167.6-23.833.1000111.7V300 F304 L312 E334 V335 C336V300-P332 HydrophobicContact CG1-CG 3.66Å; F304-P332 HydrophobicContact CD1-CG 4.48Å; F304-P332 HydrophobicContact CD2-CG 3.94Å; F304-P332 HydrophobicContact CE1-CG 4.38Å; F304-P332 HydrophobicContact CE2-CG 3.83Å; F304-P332 HydrophobicContact CG-CG 4.27Å; F304-P332 VanDerWaalsContact CZ-CD 3.46Å; F304-P332 HydrophobicContact CZ-CG 4.07Å; L312-P332 HydrophobicContact CD1-CB 4.18Å; L312-P332 HydrophobicContact CD1-CG 3.94Å; L312-P332 HydrophobicContact CD2-CB 3.79Å; L312-P332 HydrophobicContact CD2-CG 3.81Å; P332-E334 VanDerWaalsContact C-N 3.27Å; P332-E334 HydrophobicContact CB-CG 4.27Å; P332-E334 PolarHBondContact O-N 2.84Å; P332-V335 HydrophobicContact CB-CG2 4.12Å; P332-V335 HydrophobicContact CG-CG2 4.27Å; P332-V335 VanDerWaalsContact O-CG2 3.26Å; P332-V335 WeakPolarHBondContact O-CG2 3.34Å; P332-V335 PolarHBondContact O-N 2.98Å; P332-C336 PolarHBondContact O-SG 2.89Å; P332-C336 VanDerWaalsContact O-SG 3.35Å
333L97.6Very high93.6Very high4 Ų451.1 Ų51.12%0.02127%0.266CS..G310 helixtrans-61.4-37.1-178.2-54.3-170.2000112.2V222 I223 M226 F250 L317 P318 L320 V335 C336V222-L333 HydrophobicContact CG1-CB 4.09Å; V222-L333 HydrophobicContact CG1-CD2 4.02Å; V222-L333 HydrophobicContact CG1-CG 4.48Å; I223-L333 HydrophobicContact CD1-CB 3.54Å; I223-L333 HydrophobicContact CD1-CD1 4.31Å; I223-L333 HydrophobicContact CG1-CB 4.22Å; M226-L333 HydrophobicContact SD-CD1 3.73Å; F250-L333 HydrophobicContact CE1-CD1 4.27Å; F250-L333 HydrophobicContact CE1-CD2 4.2Å; F250-L333 HydrophobicContact CZ-CD1 4.34Å; F250-L333 HydrophobicContact CZ-CD2 4.29Å; L317-L333 HydrophobicContact CB-CD1 4.15Å; L317-L333 HydrophobicContact CD1-CD1 4.2Å; P318-L333 WeakPolarHBondContact O-CD2 3.34Å; P318-L333 VanDerWaalsContact O-CG 3.29Å; P318-L333 WeakPolarHBondContact O-CG 3.12Å; L320-L333 HydrophobicContact CD1-CD2 4.48Å; L320-L333 HydrophobicContact CD2-CD2 3.5Å; L320-L333 VanDerWaalsContact CD2-CD2 3.5Å; L320-L333 HydrophobicContact CG-CD2 3.64Å; L333-V335 VanDerWaalsContact C-N 3.26Å; L333-V335 PolarHBondContact O-N 3.48Å; L333-C336 PolarHBondContact O-N 3.35Å
334E95.9Very high93.7Very high47 Ų4749.4 Ų49.422%0.2225%0.247CC..G310 helixtrans-71.4-13.3-175.762.4-175.5-115.800115.1I223 L312 K313 Y314 P332I223-E334 HydrophobicContact CD1-CB 4.48Å; I223-E334 HydrophobicContact CG1-CB 4.19Å; L312-E334 WeakPolarHBondContact CA-OE1 3.29Å; L312-E334 HydrophobicContact CD2-CG 3.96Å; L312-E334 WeakPolarHBondContact CD2-OE1 3.43Å; K313-E334 PolarHBondContact N-OE1 3.36Å; K313-E334 PolarHBondContact N-OE2 3.38Å; K313-E334 VanDerWaalsContact N-OE2 3.07Å; Y314-E334 HydrophobicContact CD2-CB 4.22Å; Y314-E334 WeakPolarHBondContact CD2-OE2 3.15Å; Y314-E334 PolarHBondContact N-OE2 3.24Å; P332-E334 VanDerWaalsContact C-N 3.27Å; P332-E334 HydrophobicContact CB-CG 4.27Å; P332-E334 PolarHBondContact O-N 2.84Å
335V96Very high93.7Very high4 Ų448.5 Ų48.52%0.02425%0.245CC..G310 helixtrans-101.914.2176.4-57.30000112.9V261 T262 H263 F304 L310 P332 L333V261-V335 VanDerWaalsContact CA-O 3.3Å; V261-V335 WeakPolarHBondContact CA-O 3.2Å; T262-V335 PolarHBondContact N-O 2.8Å; T262-V335 WeakPolarHBondContact OG1-CA 3.46Å; T262-V335 PolarHBondContact OG1-O 3Å; H263-V335 HydrophobicContact CB-CB 4.3Å; H263-V335 HydrophobicContact CB-CG1 4.18Å; F304-V335 HydrophobicContact CD1-CG1 4.43Å; F304-V335 HydrophobicContact CE1-CB 4.48Å; F304-V335 HydrophobicContact CE1-CG1 4.14Å; F304-V335 HydrophobicContact CE1-CG2 3.93Å; F304-V335 HydrophobicContact CZ-CG2 4.16Å; L310-V335 HydrophobicContact CD1-CG1 4.03Å; L310-V335 HydrophobicContact CD2-CG1 4.27Å; P332-V335 HydrophobicContact CB-CG2 4.12Å; P332-V335 HydrophobicContact CG-CG2 4.27Å; P332-V335 VanDerWaalsContact O-CG2 3.26Å; P332-V335 WeakPolarHBondContact O-CG2 3.34Å; P332-V335 PolarHBondContact O-N 2.98Å; L333-V335 VanDerWaalsContact C-N 3.26Å; L333-V335 PolarHBondContact O-N 3.48Å
336C96.9Very high93.8Very high0 Ų046.8 Ų46.80%024%0.235CC..EExtended strand (participates in β ladder)trans-125.9135.4-174.7-63.60000111.8V222 V259 E260 L320 P332 L333V222-C336 HydrophobicContact CB-CB 4.1Å; V222-C336 WeakPolarHBondContact CB-O 3.33Å; V222-C336 HydrophobicContact CG2-CB 3.56Å; V222-C336 WeakPolarHBondContact CG2-O 3.29Å; V222-C336 PolarHBondContact N-O 2.89Å; V259-C336 HydrophobicContact CB-CB 4.26Å; E260-C336 WeakPolarHBondContact O-CA 3.46Å; L320-C336 HydrophobicContact CD1-CB 4.22Å; P332-C336 PolarHBondContact O-SG 2.89Å; P332-C336 VanDerWaalsContact O-SG 3.35Å; L333-C336 PolarHBondContact O-N 3.35Å
337N97.1Very high93.7Very high44 Ų4447 Ų4724%0.23523%0.234CC..EExtended strand (participates in β ladder)trans-111.7145.7166.7-69-18.2000110.4Q220 P221 V259 E260 T262 V339Q220-N337 WeakPolarHBondContact O-CA 3.48Å; P221-N337 WeakPolarHBondContact CA-OD1 3.41Å; V259-N337 CarbonylContact C-O 3.52Å; V259-N337 WeakPolarHBondContact CA-O 3.3Å; V259-N337 WeakPolarHBondContact CB-O 3.32Å; E260-N337 HydrophobicContact CG-CB 3.94Å; E260-N337 PolarHBondContact N-O 3.41Å; E260-N337 PolarHBondContact O-N 2.64Å; T262-N337 WeakPolarHBondContact CG2-ND2 3.4Å; N337-V339 PolarHBondContact O-N 2.79Å
338I97.2Very high93.6Very high2 Ų242.8 Ų42.81%0.0122%0.217CC..EExtended strand (participates in β ladder)trans-67.4125.1167.9-58.5-65.6000108.4R218 A219 Q220 V222 F225 I254 L257 V259R218-I338 WeakPolarHBondContact O-CB 3.4Å; R218-I338 WeakPolarHBondContact O-CG2 3.49Å; A219-I338 WeakPolarHBondContact CA-O 3.49Å; Q220-I338 PolarHBondContact O-N 2.89Å; V222-I338 HydrophobicContact CG2-CD1 3.94Å; V222-I338 HydrophobicContact CG2-CG1 4.32Å; F225-I338 HydrophobicContact CB-CG1 4.11Å; F225-I338 HydrophobicContact CD1-CD1 4.33Å; F225-I338 HydrophobicContact CD2-CD1 4.45Å; F225-I338 HydrophobicContact CD2-CG1 4.25Å; F225-I338 HydrophobicContact CG-CD1 4.16Å; F225-I338 HydrophobicContact CG-CG1 4.13Å; I254-I338 HydrophobicContact CD1-CD1 4.3Å; L257-I338 HydrophobicContact CD1-CD1 4.32Å; V259-I338 HydrophobicContact CG1-CD1 4.16Å
339V94.7Very high93.4Very high18 Ų1841.4 Ų41.411%0.10922%0.216CC..PPolyproline II helixtrans-66.9136.4178.6178.60000110.1K258 E260 K270 N337 Q342K258-V339 HydrophobicContact CB-CB 4.16Å; K258-V339 HydrophobicContact CB-CG2 4Å; K258-V339 PolarHBondContact O-N 3.25Å; K258-V339 VanDerWaalsContact O-N 3.13Å; E260-V339 HydrophobicContact CB-CG2 3.96Å; E260-V339 HydrophobicContact CG-CG2 4.19Å; K270-V339 HydrophobicContact CG-CG2 4.1Å; N337-V339 PolarHBondContact O-N 2.79Å; V339-Q342 WeakPolarHBondContact O-CG 3.27Å; V339-Q342 PolarHBondContact O-NE2 3.04Å
340A92.1Very high93Very high58 Ų5842.9 Ų42.948%0.47922%0.221SC..THydrogen-bonded Turntrans-62.3160.1177.700000113.5A219 Q342A219-A340 HydrophobicContact CB-CB 3.77Å; A340-Q342 VanDerWaalsContact C-N 3.3Å; A340-Q342 PolarHBondContact O-N 2.85Å
341G90.9Very high92.5Very high22 Ų2247.4 Ų47.423%0.22725%0.248CC..THydrogen-bonded Turntrans71.619.8172.700000114.8W191W191-G341 VanDerWaalsContact CH2-CA 3.43Å
342Q93.7Very high92.3Very high22 Ų2247.6 Ų47.610%0.10325%0.249CC..  trans-91.6107.9175.9-65.7-17291.800111.2F216 Y217 K258 V339 A340 C344F216-Q342 WeakPolarHBondContact CA-O 3.45Å; F216-Q342 VanDerWaalsContact CD1-C 3.43Å; Y217-Q342 HydrophobicContact CD2-CB 4.27Å; Y217-Q342 WeakPolarHBondContact CD2-O 3.32Å; Y217-Q342 PolarHBondContact N-O 3.47Å; K258-Q342 VanDerWaalsContact CB-OE1 3.28Å; K258-Q342 PolarHBondContact O-NE2 3.02Å; V339-Q342 WeakPolarHBondContact O-CG 3.27Å; V339-Q342 PolarHBondContact O-NE2 3.04Å; A340-Q342 VanDerWaalsContact C-N 3.3Å; A340-Q342 PolarHBondContact O-N 2.85Å; Q342-C344 PolarHBondContact O-N 3.42Å
343R93.8Very high91.9Very high122 Ų12250.1 Ų50.146%0.4626%0.264SS..BIsolated β-bridgetrans-61.7135.1176.4-179.7-172.8175.1-165.5-2.2111.5V169 F216 I345V169-R343 VanDerWaalsContact CG1-CD 3.47Å; F216-R343 HydrophobicContact CD1-CB 4.39Å; F216-R343 HydrophobicContact CE1-CB 4.09Å; F216-R343 HydrophobicContact CZ-CB 4.32Å; R343-I345 PolarHBondContact O-N 2.92Å
344C92.9Very high91.5Very high9 Ų952.4 Ų52.46%0.06128%0.281CS..  trans-75.5110.7168-1710000110.2A215 Y217 Q342A215-C344 HydrophobicContact CB-CB 3.88Å; A215-C344 PolarHBondContact O-N 3.04Å; Y217-C344 HydrophobicContact CD2-CB 4.35Å; Y217-C344 HydrophobicContact CE2-CB 3.96Å; Q342-C344 PolarHBondContact O-N 3.42Å
345I87.3Confident91.3Very high93 Ų9353 Ų5348%0.47729%0.287SS..  trans-92.5-19.1175.259.7171.7000112.8R343R343-I345 PolarHBondContact O-N 2.92Å
346K85.9Confident91.1Very high59 Ų5954.6 Ų54.626%0.25730%0.295SS..SBendtrans-68.8149.7179-65179.2-173.1166.40109.4K252 E253 L348K252-K346 PolarHBondContact O-NZ 3.44Å; E253-K346 PolarHBondContact O-NZ 3.25Å; K346-L348 PolarHBondContact O-N 3.17Å
347K85.6Confident90.7Very high161 Ų16158.7 Ų58.770%0.732%0.316SS*.PPolyproline II helixtrans-62.1131.3176.6-170.1-178.6174.4-176.70109.2
348L88.4Confident90.3Very high27 Ų2764 Ų6414%0.14134%0.337CS..PPolyproline II helixtrans-67.3149.1172.3-63-177.4000110.5L184 A215 K346 Q352 M356L184-L348 HydrophobicContact CD1-CD1 4.38Å; L184-L348 HydrophobicContact CD1-CD2 4.48Å; A215-L348 HydrophobicContact CB-CD1 4.28Å; A215-L348 HydrophobicContact CB-CD2 3.93Å; K346-L348 PolarHBondContact O-N 3.17Å; L348-Q352 HydrophobicContact CB-CB 3.92Å; L348-Q352 HydrophobicContact CD2-CB 4.35Å; L348-M356 HydrophobicContact CD1-CB 4.4Å; L348-M356 HydrophobicContact CD1-SD 3.48Å; L348-M356 WeakPolarHBondContact CD1-SD 3.4Å
349T88.5Confident89.8Confident73 Ų7364.6 Ų64.645%0.44834%0.342SS..PPolyproline II helixtrans-66.8165.4170.369.30000110.4N351 Q352 T353T349-N351 PolarHBondContact O-N 3.42Å; T349-Q352 PolarHBondContact O-N 3.25Å; T349-Q352 WeakPolarHBondContact OG1-CB 3.49Å; T349-Q352 VanDerWaalsContact OG1-CG 3.26Å; T349-Q352 WeakPolarHBondContact OG1-CG 3.37Å; T349-Q352 PolarHBondContact OG1-N 3.14Å; T349-Q352 PolarHBondContact OG1-OE1 2.91Å; T349-T353 WeakPolarHBondContact O-CB 3.37Å; T349-T353 PolarHBondContact O-N 3.07Å; T349-T353 PolarHBondContact O-OG1 2.97Å
350D85.7Confident89.5Confident87 Ų8765.8 Ų65.847%0.46535%0.349SS..Hα-helixtrans-62.9-36.1179.9-60.7-25.2000110.9T353 S354 K530D350-T353 PolarHBondContact O-N 2.94Å; D350-S354 WeakPolarHBondContact O-CB 3.39Å; D350-S354 PolarHBondContact O-N 3.05Å; D350-K530 IonicContact OD1-NZ 3.14Å; D350-K530 IonicContact OD2-NZ 3.38Å; D350-K530 PolarHBondContact OD2-NZ 3.08Å
351N87.2Confident89.4Confident131 Ų13164.8 Ų64.870%0.70134%0.341SS*.Hα-helixtrans-66.3-49.7174.3-71.3-8.5000111.8T349 T353 S354 T355T349-N351 PolarHBondContact O-N 3.42Å; N351-T353 VanDerWaalsContact C-N 3.28Å; N351-T353 PolarHBondContact O-N 2.92Å; N351-S354 WeakPolarHBondContact O-CB 2.99Å; N351-S354 PolarHBondContact O-N 2.61Å; N351-S354 VanDerWaalsContact O-N 3.15Å; N351-T355 PolarHBondContact O-N 2.72Å; N351-T355 PolarHBondContact O-OG1 3.02Å
352Q92Very high89.5Confident13 Ų1367.1 Ų67.16%0.06134%0.343CS..Hα-helixtrans-58.8-40.3175.8-74.9168.4-1200111.8L184 G185 L348 T349 T355 M356L184-Q352 HydrophobicContact CB-CB 4.46Å; L184-Q352 HydrophobicContact CB-CG 4.14Å; L184-Q352 VanDerWaalsContact O-CG 3.23Å; L184-Q352 WeakPolarHBondContact O-CG 3.43Å; G185-Q352 PolarHBondContact O-NE2 2.72Å; L348-Q352 HydrophobicContact CB-CB 3.92Å; L348-Q352 HydrophobicContact CD2-CB 4.35Å; T349-Q352 PolarHBondContact O-N 3.25Å; T349-Q352 WeakPolarHBondContact OG1-CB 3.49Å; T349-Q352 VanDerWaalsContact OG1-CG 3.26Å; T349-Q352 WeakPolarHBondContact OG1-CG 3.37Å; T349-Q352 PolarHBondContact OG1-N 3.14Å; T349-Q352 PolarHBondContact OG1-OE1 2.91Å; Q352-T355 PolarHBondContact O-N 2.71Å; Q352-M356 VanDerWaalsContact O-CB 3.29Å; Q352-M356 WeakPolarHBondContact O-CB 3.43Å; Q352-M356 PolarHBondContact O-N 3.44Å
353T90.4Very high89.6Confident56 Ų5667.3 Ų67.334%0.34435%0.347SS..Hα-helixtrans-63.7-43176.8-57.10000111T349 D350 N351 M356 I357T349-T353 WeakPolarHBondContact O-CB 3.37Å; T349-T353 PolarHBondContact O-N 3.07Å; T349-T353 PolarHBondContact O-OG1 2.97Å; D350-T353 PolarHBondContact O-N 2.94Å; N351-T353 VanDerWaalsContact C-N 3.28Å; N351-T353 PolarHBondContact O-N 2.92Å; T353-M356 PolarHBondContact O-N 3.35Å; T353-I357 HydrophobicContact CG2-CD1 3.91Å; T353-I357 HydrophobicContact CG2-CG1 4.49Å; T353-I357 WeakPolarHBondContact O-CB 3.47Å; T353-I357 VanDerWaalsContact O-CG1 3.24Å; T353-I357 WeakPolarHBondContact O-CG1 3.44Å; T353-I357 PolarHBondContact O-N 3.28Å
354S88.9Confident89.8Confident53 Ų5361.6 Ų61.637%0.37133%0.326SS..Hα-helixtrans-60.6-48175.1-174.70000111.6D350 N351 M356 I357 K358D350-S354 WeakPolarHBondContact O-CB 3.39Å; D350-S354 PolarHBondContact O-N 3.05Å; N351-S354 WeakPolarHBondContact O-CB 2.99Å; N351-S354 PolarHBondContact O-N 2.61Å; N351-S354 VanDerWaalsContact O-N 3.15Å; S354-M356 PolarHBondContact O-N 3.07Å; S354-I357 PolarHBondContact O-N 3.37Å; S354-K358 WeakPolarHBondContact O-CG 3.13Å; S354-K358 PolarHBondContact O-N 3.32Å
355T91.4Very high90Very high58 Ų5862.5 Ų62.536%0.35633%0.332SS..Hα-helixtrans-61.4-44.7176.7-55.70000111.6L184 N351 Q352 I357 K358 A359L184-T355 HydrophobicContact CD2-CG2 3.96Å; N351-T355 PolarHBondContact O-N 2.72Å; N351-T355 PolarHBondContact O-OG1 3.02Å; Q352-T355 PolarHBondContact O-N 2.71Å; T355-I357 PolarHBondContact O-N 2.97Å; T355-K358 PolarHBondContact O-N 2.95Å; T355-A359 WeakPolarHBondContact O-CB 3.12Å; T355-A359 PolarHBondContact O-N 2.95Å
356M92.3Very high90.5Very high38 Ų3862.1 Ų62.119%0.18733%0.331CS..Hα-helixtrans-60.6-45.2176.6-174.8-179.6-178.900111.6L184 A213 L348 Q352 T353 S354 K358 A359 T360L184-M356 HydrophobicContact CD2-CB 3.96Å; A213-M356 VanDerWaalsContact O-CE 3.31Å; A213-M356 WeakPolarHBondContact O-CE 3.46Å; L348-M356 HydrophobicContact CD1-CB 4.4Å; L348-M356 HydrophobicContact CD1-SD 3.48Å; L348-M356 WeakPolarHBondContact CD1-SD 3.4Å; Q352-M356 VanDerWaalsContact O-CB 3.29Å; Q352-M356 WeakPolarHBondContact O-CB 3.43Å; Q352-M356 PolarHBondContact O-N 3.44Å; T353-M356 PolarHBondContact O-N 3.35Å; S354-M356 PolarHBondContact O-N 3.07Å; M356-K358 VanDerWaalsContact C-N 3.35Å; M356-K358 PolarHBondContact O-N 2.82Å; M356-A359 PolarHBondContact O-N 2.87Å; M356-T360 HydrophobicContact CG-CG2 4.44Å; M356-T360 WeakPolarHBondContact O-CB 3.34Å; M356-T360 VanDerWaalsContact O-CG2 3.27Å; M356-T360 WeakPolarHBondContact O-CG2 3.3Å; M356-T360 PolarHBondContact O-N 3.2Å; M356-T360 PolarHBondContact O-OG1 2.84Å
357I89.2Confident91Very high86 Ų8660.9 Ų60.944%0.44132%0.324SS..Hα-helixtrans-62.3-43.4177.2-70.9167.7000110.5T353 S354 T355 T360 A361T353-I357 HydrophobicContact CG2-CD1 3.91Å; T353-I357 HydrophobicContact CG2-CG1 4.49Å; T353-I357 WeakPolarHBondContact O-CB 3.47Å; T353-I357 VanDerWaalsContact O-CG1 3.24Å; T353-I357 WeakPolarHBondContact O-CG1 3.44Å; T353-I357 PolarHBondContact O-N 3.28Å; S354-I357 PolarHBondContact O-N 3.37Å; T355-I357 PolarHBondContact O-N 2.97Å; I357-T360 PolarHBondContact O-N 3.09Å; I357-A361 WeakPolarHBondContact O-CB 3.36Å; I357-A361 PolarHBondContact O-N 2.86Å
358K88Confident91.6Very high155 Ų15554.6 Ų54.667%0.67430%0.297SS*.Hα-helixtrans-63.5-42178.1-72.1175.8-176.8-177.20112.2S354 T355 M356 T360S354-K358 WeakPolarHBondContact O-CG 3.13Å; S354-K358 PolarHBondContact O-N 3.32Å; T355-K358 PolarHBondContact O-N 2.95Å; M356-K358 VanDerWaalsContact C-N 3.35Å; M356-K358 PolarHBondContact O-N 2.82Å; K358-T360 VanDerWaalsContact C-N 3.31Å; K358-T360 PolarHBondContact O-N 3.28Å
359A86.8Confident91.9Very high15 Ų1558 Ų5812%0.12431%0.313CS..Hα-helixtrans-67.6-32179.700000112.8T355 M356 R362T355-A359 WeakPolarHBondContact O-CB 3.12Å; T355-A359 PolarHBondContact O-N 2.95Å; M356-A359 PolarHBondContact O-N 2.87Å; A359-R362 PolarHBondContact O-NH1 3.06Å; A359-R362 PolarHBondContact O-NH2 3.4Å
360T89.1Confident92.1Very high43 Ų4357 Ų5726%0.26430%0.303SS..Hα-helixtrans-108.8-10.1-169.261.90000114.5V190 F192 A213 M356 I357 K358 R362V190-T360 HydrophobicContact CG1-CG2 4.07Å; F192-T360 HydrophobicContact CE1-CG2 4Å; F192-T360 HydrophobicContact CZ-CG2 4.14Å; A213-T360 HydrophobicContact CB-CG2 3.33Å; M356-T360 HydrophobicContact CG-CG2 4.44Å; M356-T360 WeakPolarHBondContact O-CB 3.34Å; M356-T360 VanDerWaalsContact O-CG2 3.27Å; M356-T360 WeakPolarHBondContact O-CG2 3.3Å; M356-T360 PolarHBondContact O-N 3.2Å; M356-T360 PolarHBondContact O-OG1 2.84Å; I357-T360 PolarHBondContact O-N 3.09Å; K358-T360 VanDerWaalsContact C-N 3.31Å; K358-T360 PolarHBondContact O-N 3.28Å; T360-R362 PolarHBondContact O-N 3.48Å
361A89.1Confident92.5Very high37 Ų3752.8 Ų52.831%0.30628%0.28SS..  trans-66.5117.4175.600000109.9I357I357-A361 WeakPolarHBondContact O-CB 3.36Å; I357-A361 PolarHBondContact O-N 2.86Å
362R93.1Very high92.8Very high72 Ų7247.6 Ų47.627%0.27225%0.254SS..  trans-125137.8175.2-65.2-64.4-175.3-91.4-3.2109.4A359 T360 D366 R367 E370 G773 T774A359-R362 PolarHBondContact O-NH1 3.06Å; A359-R362 PolarHBondContact O-NH2 3.4Å; T360-R362 PolarHBondContact O-N 3.48Å; R362-D366 HydrophobicContact CB-CB 4.32Å; R362-R367 HydrophobicContact CB-CB 4.22Å; R362-E370 VanDerWaalsContact CD-OE1 3.31Å; R362-E370 WeakPolarHBondContact CD-OE1 3.35Å; R362-E370 IonicContact CZ-OE1 2.74Å; R362-E370 IonicContact NE-OE1 3.5Å; R362-E370 PolarHBondContact NE-OE1 3.41Å; R362-G773 CarbonylContact O-C 3.43Å; R362-G773 WeakPolarHBondContact O-CA 3.44Å; R362-T774 PolarHBondContact O-N 3.17Å; R362-T774 PolarHBondContact O-OG1 2.86Å
363S96.6Very high92.8Very high26 Ų2653.6 Ų53.618%0.18228%0.276CS..  trans-60.6164.1173.475.30000110.1P365 D366 R367 T774S363-P365 WeakPolarHBondContact OG-CD 3.35Å; S363-D366 WeakPolarHBondContact CB-OD2 3.44Å; S363-D366 PolarHBondContact N-OD2 3.24Å; S363-D366 PolarHBondContact O-N 3.04Å; S363-D366 PolarHBondContact OG-N 2.85Å; S363-D366 PolarHBondContact OG-OD2 3.24Å; S363-R367 WeakPolarHBondContact O-CB 3.34Å; S363-R367 PolarHBondContact O-N 3.13Å; S363-T774 PolarHBondContact O-OG1 2.97Å
364A97.4Very high92.6Very high1 Ų152.7 Ų52.71%0.00827%0.269CS..Hα-helixtrans-60.1-4517700000112.3R367 Q368 F731 S742 G743 T774A364-R367 PolarHBondContact O-N 3.33Å; A364-Q368 WeakPolarHBondContact O-CB 3.47Å; A364-Q368 PolarHBondContact O-N 2.76Å; A364-F731 HydrophobicContact CB-CD1 4.12Å; A364-F731 HydrophobicContact CB-CE1 4.4Å; A364-F731 WeakPolarHBondContact O-CD1 2.88Å; A364-F731 WeakPolarHBondContact O-CE1 3.47Å; A364-S742 PolarHBondContact N-O 3.31Å; A364-G743 WeakPolarHBondContact CB-O 3.47Å; A364-T774 HydrophobicContact CB-CG2 3.91Å
365P97.6Very high92.4Very high29 Ų2950.7 Ų50.719%0.18826%0.255CS..Hα-helixtrans-60.4-44.6173.5-2636000114S363 R367 Q368 E369 S742S363-P365 WeakPolarHBondContact OG-CD 3.35Å; P365-R367 VanDerWaalsContact C-N 3.31Å; P365-R367 PolarHBondContact O-N 2.91Å; P365-Q368 WeakPolarHBondContact O-CB 3.39Å; P365-Q368 PolarHBondContact O-N 3.2Å; P365-E369 WeakPolarHBondContact O-CB 3.47Å; P365-E369 PolarHBondContact O-N 3.36Å; P365-S742 WeakPolarHBondContact CD-O 3.32Å
366D96.6Very high92Very high85 Ų8553.8 Ų53.846%0.45526%0.263SS..Hα-helixtrans-63.7-41.3-179.7-57.6-32.5000110.9R362 S363 E369 E370R362-D366 HydrophobicContact CB-CB 4.32Å; S363-D366 WeakPolarHBondContact CB-OD2 3.44Å; S363-D366 PolarHBondContact N-OD2 3.24Å; S363-D366 PolarHBondContact O-N 3.04Å; S363-D366 PolarHBondContact OG-N 2.85Å; S363-D366 PolarHBondContact OG-OD2 3.24Å; D366-E369 PolarHBondContact O-N 3.09Å; D366-E370 WeakPolarHBondContact O-CB 2.95Å; D366-E370 WeakPolarHBondContact O-CG 3.25Å; D366-E370 PolarHBondContact O-N 2.96Å
367R96.8Very high91Very high33 Ų3355.1 Ų55.113%0.12528%0.277CS..Hα-helixtrans-68.1-38.6178.1-167.2174.7-166.2175.77.2112.1D210 V211 R362 S363 A364 P365 E369 E370 I371 F731 T774D210-R367 IonicContact OD1-CZ 3.95Å; D210-R367 IonicContact OD1-NE 2.61Å; D210-R367 PolarHBondContact OD1-NE 2.86Å; D210-R367 IonicContact OD1-NH1 3.32Å; D210-R367 IonicContact OD1-NH2 3.79Å; D210-R367 PolarHBondContact OD1-NH2 2.97Å; D210-R367 IonicContact OD2-CZ 3.18Å; D210-R367 IonicContact OD2-NH2 3.11Å; D210-R367 PolarHBondContact OD2-NH2 3.17Å; V211-R367 HydrophobicContact CG2-CG 3.62Å; V211-R367 PolarHBondContact O-NH2 2.93Å; R362-R367 HydrophobicContact CB-CB 4.22Å; S363-R367 WeakPolarHBondContact O-CB 3.34Å; S363-R367 PolarHBondContact O-N 3.13Å; A364-R367 PolarHBondContact O-N 3.33Å; P365-R367 VanDerWaalsContact C-N 3.31Å; P365-R367 PolarHBondContact O-N 2.91Å; R367-E369 VanDerWaalsContact C-N 3.29Å; R367-E369 PolarHBondContact O-N 3.01Å; R367-E370 PolarHBondContact O-N 2.87Å; R367-I371 HydrophobicContact CG-CD1 4.05Å; R367-I371 HydrophobicContact CG-CG1 4.47Å; R367-I371 VanDerWaalsContact O-CG1 3.24Å; R367-I371 WeakPolarHBondContact O-CG1 3.26Å; R367-I371 PolarHBondContact O-N 3.28Å; R367-F731 HydrophobicContact CB-CE1 4.48Å; R367-T774 WeakPolarHBondContact CB-OG1 3.46Å; R367-T774 WeakPolarHBondContact CD-OG1 3.42Å
368Q97.4Very high89.4Confident29 Ų2952.3 Ų52.314%0.13626%0.262CS..Hα-helixtrans-57.9-46.6174.1-176.3-169.9-15.700110.4A364 P365 I371 S372 M399 F731A364-Q368 WeakPolarHBondContact O-CB 3.47Å; A364-Q368 PolarHBondContact O-N 2.76Å; P365-Q368 WeakPolarHBondContact O-CB 3.39Å; P365-Q368 PolarHBondContact O-N 3.2Å; Q368-I371 PolarHBondContact O-N 3.35Å; Q368-S372 WeakPolarHBondContact O-CB 3.23Å; Q368-S372 PolarHBondContact O-N 3.41Å; Q368-S372 PolarHBondContact O-OG 2.6Å; Q368-M399 HydrophobicContact CG-CE 4.01Å; Q368-M399 HydrophobicContact CG-SD 3.88Å; Q368-M399 WeakPolarHBondContact O-CE 3.39Å; Q368-F731 HydrophobicContact CB-CD1 3.7Å; Q368-F731 HydrophobicContact CB-CD2 4.16Å; Q368-F731 HydrophobicContact CB-CE1 3.8Å; Q368-F731 HydrophobicContact CB-CE2 4.26Å; Q368-F731 HydrophobicContact CB-CG 3.88Å; Q368-F731 HydrophobicContact CB-CZ 4.08Å; Q368-F731 HydrophobicContact CG-CB 4.28Å; Q368-F731 HydrophobicContact CG-CD1 4.27Å; Q368-F731 HydrophobicContact CG-CD2 3.97Å; Q368-F731 HydrophobicContact CG-CE2 4.35Å; Q368-F731 HydrophobicContact CG-CG 3.92Å
369E95.9Very high87.6Confident98 Ų9848.2 Ų48.246%0.45825%0.253SS..Hα-helixtrans-65.9-44.1178.1178.157.7-152.300111.7P365 D366 R367 I371 S372 R373P365-E369 WeakPolarHBondContact O-CB 3.47Å; P365-E369 PolarHBondContact O-N 3.36Å; D366-E369 PolarHBondContact O-N 3.09Å; R367-E369 VanDerWaalsContact C-N 3.29Å; R367-E369 PolarHBondContact O-N 3.01Å; E369-I371 PolarHBondContact O-N 2.82Å; E369-S372 PolarHBondContact O-N 2.91Å; E369-R373 VanDerWaalsContact CG-NH2 3.33Å; E369-R373 VanDerWaalsContact O-CB 3.29Å; E369-R373 WeakPolarHBondContact O-CB 3.46Å; E369-R373 PolarHBondContact O-N 3.03Å; E369-R373 IonicContact OE1-CZ 3.5Å; E369-R373 IonicContact OE1-NE 3.58Å; E369-R373 IonicContact OE1-NH2 2.79Å; E369-R373 PolarHBondContact OE1-NH2 3.44Å
370E93.3Very high85.8Confident51 Ų5148.6 Ų48.624%0.23825%0.253CS..Hα-helixtrans-59.9-42.5175-76.6178.5177.800112.1V211 R362 D366 R367 L374V211-E370 HydrophobicContact CG1-CB 4.12Å; R362-E370 VanDerWaalsContact CD-OE1 3.31Å; R362-E370 WeakPolarHBondContact CD-OE1 3.35Å; R362-E370 IonicContact CZ-OE1 2.74Å; R362-E370 IonicContact NE-OE1 3.5Å; R362-E370 PolarHBondContact NE-OE1 3.41Å; D366-E370 WeakPolarHBondContact O-CB 2.95Å; D366-E370 WeakPolarHBondContact O-CG 3.25Å; D366-E370 PolarHBondContact O-N 2.96Å; R367-E370 PolarHBondContact O-N 2.87Å; E370-L374 WeakPolarHBondContact O-CB 3.35Å; E370-L374 PolarHBondContact O-N 2.72Å
371I94.2Very high83.3Confident0 Ų051 Ų510%027%0.267CS..Hα-helixtrans-67.5-43.8176.3-65.6164.9000110.6N35 F37 I209 V211 R367 Q368 E369 R373 L374 V375 M399 F731N35-I371 HydrophobicContact CB-CD1 4.12Å; N35-I371 HydrophobicContact CB-CG2 4.32Å; F37-I371 HydrophobicContact CE2-CG2 4.03Å; F37-I371 HydrophobicContact CZ-CG2 3.94Å; I209-I371 HydrophobicContact CG2-CG2 4.37Å; V211-I371 HydrophobicContact CG1-CG1 3.95Å; V211-I371 HydrophobicContact CG2-CG1 4.23Å; R367-I371 HydrophobicContact CG-CD1 4.05Å; R367-I371 HydrophobicContact CG-CG1 4.47Å; R367-I371 VanDerWaalsContact O-CG1 3.24Å; R367-I371 WeakPolarHBondContact O-CG1 3.26Å; R367-I371 PolarHBondContact O-N 3.28Å; Q368-I371 PolarHBondContact O-N 3.35Å; E369-I371 PolarHBondContact O-N 2.82Å; I371-R373 VanDerWaalsContact C-N 3.35Å; I371-R373 PolarHBondContact O-N 3.33Å; I371-L374 WeakPolarHBondContact O-CB 3.43Å; I371-L374 PolarHBondContact O-N 2.74Å; I371-V375 PolarHBondContact O-N 2.83Å; I371-M399 HydrophobicContact CB-CE 3.66Å; I371-M399 HydrophobicContact CD1-CE 4.4Å; I371-M399 HydrophobicContact CG2-CE 3.52Å; I371-F731 HydrophobicContact CD1-CE2 4.46Å; I371-F731 HydrophobicContact CD1-CZ 4.08Å
372S93.1Very high80.9Confident22 Ų2253.1 Ų53.115%0.15429%0.292CS..Hα-helixtrans-63.5-43.1179.7-56.80000110.9Q368 E369 V375 K376Q368-S372 WeakPolarHBondContact O-CB 3.23Å; Q368-S372 PolarHBondContact O-N 3.41Å; Q368-S372 PolarHBondContact O-OG 2.6Å; E369-S372 PolarHBondContact O-N 2.91Å; S372-V375 PolarHBondContact O-N 3.46Å; S372-K376 WeakPolarHBondContact O-CB 3.44Å; S372-K376 VanDerWaalsContact O-CG 3.26Å; S372-K376 WeakPolarHBondContact O-CG 3.49Å; S372-K376 PolarHBondContact O-N 2.83Å
373R90.6Very high78.8Confident139 Ų13951.1 Ų51.153%0.52529%0.294SS..Hα-helixtrans-63-44.5173.2-172.5-178.6-55.2131.811.8111.2E369 I371 V375 K376 S377E369-R373 VanDerWaalsContact CG-NH2 3.33Å; E369-R373 VanDerWaalsContact O-CB 3.29Å; E369-R373 WeakPolarHBondContact O-CB 3.46Å; E369-R373 PolarHBondContact O-N 3.03Å; E369-R373 IonicContact OE1-CZ 3.5Å; E369-R373 IonicContact OE1-NE 3.58Å; E369-R373 IonicContact OE1-NH2 2.79Å; E369-R373 PolarHBondContact OE1-NH2 3.44Å; I371-R373 VanDerWaalsContact C-N 3.35Å; I371-R373 PolarHBondContact O-N 3.33Å; R373-V375 VanDerWaalsContact C-N 3.34Å; R373-V375 PolarHBondContact O-N 2.83Å; R373-K376 PolarHBondContact O-N 2.89Å; R373-S377 VanDerWaalsContact O-CB 3.28Å; R373-S377 WeakPolarHBondContact O-CB 3.29Å; R373-S377 PolarHBondContact O-N 3.3Å; R373-S377 PolarHBondContact O-OG 2.94Å
374L87.3Confident77.3Confident36 Ų3654.7 Ų54.719%0.18832%0.317CS..Hα-helixtrans-57.3-47.5177.2175.472.3000110.7F194 I209 V211 E370 I371 S377 N378F194-L374 HydrophobicContact CB-CD2 3.37Å; F194-L374 HydrophobicContact CD1-CD1 4.23Å; F194-L374 HydrophobicContact CD1-CD2 4.34Å; F194-L374 HydrophobicContact CG-CD2 3.89Å; I209-L374 HydrophobicContact CG2-CD2 3.67Å; V211-L374 HydrophobicContact CG1-CD2 4.29Å; E370-L374 WeakPolarHBondContact O-CB 3.35Å; E370-L374 PolarHBondContact O-N 2.72Å; I371-L374 WeakPolarHBondContact O-CB 3.43Å; I371-L374 PolarHBondContact O-N 2.74Å; L374-S377 PolarHBondContact O-OG 2.85Å; L374-S377 VanDerWaalsContact O-OG 3.1Å; L374-N378 WeakPolarHBondContact O-CA 3.28Å; L374-N378 WeakPolarHBondContact O-CB 3.21Å; L374-N378 PolarHBondContact O-N 2.89Å
375V85Confident76.5Confident12 Ų1255 Ų557%0.07332%0.319CS..Hα-helixtrans-68.8-40.4180174.40000111.7F37 I209 I371 S372 R373 N378 S379F37-V375 HydrophobicContact CD1-CG1 3.9Å; F37-V375 HydrophobicContact CD1-CG2 4.33Å; F37-V375 HydrophobicContact CD2-CG2 4.16Å; F37-V375 HydrophobicContact CE1-CB 3.98Å; F37-V375 HydrophobicContact CE1-CG1 3.82Å; F37-V375 HydrophobicContact CE1-CG2 3.83Å; F37-V375 HydrophobicContact CE2-CG2 3.67Å; F37-V375 HydrophobicContact CG-CG1 4.47Å; F37-V375 HydrophobicContact CG-CG2 4.49Å; F37-V375 HydrophobicContact CZ-CB 4.09Å; F37-V375 HydrophobicContact CZ-CG1 4.36Å; F37-V375 HydrophobicContact CZ-CG2 3.49Å; F37-V375 VanDerWaalsContact CZ-CG2 3.49Å; I209-V375 HydrophobicContact CB-CG2 4.22Å; I209-V375 HydrophobicContact CG1-CG2 4.22Å; I209-V375 HydrophobicContact CG2-CG2 4.07Å; I371-V375 PolarHBondContact O-N 2.83Å; S372-V375 PolarHBondContact O-N 3.46Å; R373-V375 VanDerWaalsContact C-N 3.34Å; R373-V375 PolarHBondContact O-N 2.83Å; V375-N378 CarbonylContact O-C 3.58Å; V375-N378 WeakPolarHBondContact O-CA 3.45Å; V375-N378 PolarHBondContact O-N 3Å; V375-N378 VanDerWaalsContact O-N 3.16Å; V375-S379 PolarHBondContact O-N 2.89Å; V375-S379 VanDerWaalsContact O-N 3.11Å
376K82.1Confident76.1Confident122 Ų12256.7 Ų56.753%0.5333%0.33SS..Hα-helixtrans-66.8-37175.7-71.6177-178.5-175.40112.9S372 R373 N378 S379S372-K376 WeakPolarHBondContact O-CB 3.44Å; S372-K376 VanDerWaalsContact O-CG 3.26Å; S372-K376 WeakPolarHBondContact O-CG 3.49Å; S372-K376 PolarHBondContact O-N 2.83Å; R373-K376 PolarHBondContact O-N 2.89Å; K376-N378 VanDerWaalsContact C-N 3.34Å; K376-S379 PolarHBondContact O-OG 3.34Å
377S71.2Confident75.8Confident67 Ų6753.8 Ų53.847%0.46931%0.312SS..Hα-helixtrans-77.4-25172.171.70000111.7R373 L374 S379R373-S377 VanDerWaalsContact O-CB 3.28Å; R373-S377 WeakPolarHBondContact O-CB 3.29Å; R373-S377 PolarHBondContact O-N 3.3Å; R373-S377 PolarHBondContact O-OG 2.94Å; L374-S377 PolarHBondContact O-OG 2.85Å; L374-S377 VanDerWaalsContact O-OG 3.1Å; S377-S379 VanDerWaalsContact C-N 3.3Å
378N56.8Low75.5Confident26 Ų2653.5 Ų53.514%0.13931%0.313CS..THydrogen-bonded Turntrans-87.530.3168.4-88-8.5000113.6L374 V375 K376 M380L374-N378 WeakPolarHBondContact O-CA 3.28Å; L374-N378 WeakPolarHBondContact O-CB 3.21Å; L374-N378 PolarHBondContact O-N 2.89Å; V375-N378 CarbonylContact O-C 3.58Å; V375-N378 WeakPolarHBondContact O-CA 3.45Å; V375-N378 PolarHBondContact O-N 3Å; V375-N378 VanDerWaalsContact O-N 3.16Å; K376-N378 VanDerWaalsContact C-N 3.34Å; N378-M380 HydrophobicContact CB-CE 4.22Å; N378-M380 PolarHBondContact O-N 2.86Å
379S50.5Low75.1Confident69 Ų6959.5 Ų59.548%0.48334%0.339SS..THydrogen-bonded Turntrans-64.550.1131.851.90000110.4V375 K376 S377 V381 G383V375-S379 PolarHBondContact O-N 2.89Å; V375-S379 VanDerWaalsContact O-N 3.11Å; K376-S379 PolarHBondContact O-OG 3.34Å; S377-S379 VanDerWaalsContact C-N 3.3Å; S379-V381 PolarHBondContact O-N 2.91Å; S379-G383 VanDerWaalsContact O-O 3.13Å
380M47.5Very low75Confident24 Ų2457.3 Ų57.312%0.11833%0.328CS..THydrogen-bonded Turntrans33.161.4176-73.9-80.6153.900117.7L161 P162 R165 N378 G382 G383 D385L161-M380 HydrophobicContact CD2-CB 4.46Å; L161-M380 HydrophobicContact CD2-SD 4.08Å; P162-M380 HydrophobicContact CG-CE 4.14Å; R165-M380 PolarHBondContact NH1-O 2.65Å; N378-M380 HydrophobicContact CB-CE 4.22Å; N378-M380 PolarHBondContact O-N 2.86Å; M380-G382 VanDerWaalsContact C-N 3.27Å; M380-G382 PolarHBondContact O-N 2.96Å; M380-G383 WeakPolarHBondContact CB-O 3.26Å; M380-D385 HydrophobicContact CB-CB 4.48Å; M380-D385 HydrophobicContact CG-CB 4.11Å
381V37.7Very low75Confident92 Ų9254.9 Ų54.956%0.55832%0.317SS*.THydrogen-bonded Turntrans38.256.7158.8-167.60000112S379S379-V381 PolarHBondContact O-N 2.91Å
382G37.9Very low74.9Confident82 Ų8256.8 Ų56.885%0.84534%0.337SS*.THydrogen-bonded Turntrans131.14.3-177.800000117.8M380M380-G382 VanDerWaalsContact C-N 3.27Å; M380-G382 PolarHBondContact O-N 2.96Å
383G49Very low74.8Confident30 Ų3056.1 Ų56.131%0.30933%0.331SS..SBendtrans131.3-177.9177.400000113.5S379 M380 D385S379-G383 VanDerWaalsContact O-O 3.13Å; M380-G383 WeakPolarHBondContact CB-O 3.26Å; G383-D385 PolarHBondContact O-N 3.19Å
384P64.8Low74.8Confident102 Ų10253.1 Ų53.166%0.66233%0.328SS*.SBendtrans-57.5135.1176.923.9-32.1000110.6P386P384-P386 WeakPolarHBondContact O-CD 3.46Å; P384-P386 VanDerWaalsContact O-N 3.1Å
385D81.7Confident74.8Confident8 Ų853 Ų534%0.04333%0.329CS..  trans-54.3116.7177.5-172.9-37.4000109.3L161 M380 G383 Y387 L388 K389L161-D385 WeakPolarHBondContact CB-OD2 3.21Å; L161-D385 HydrophobicContact CD2-CB 4.33Å; L161-D385 WeakPolarHBondContact CD2-OD2 3.47Å; M380-D385 HydrophobicContact CB-CB 4.48Å; M380-D385 HydrophobicContact CG-CB 4.11Å; G383-D385 PolarHBondContact O-N 3.19Å; D385-Y387 PolarHBondContact O-N 3.33Å; D385-Y387 WeakPolarHBondContact OD1-CA 3.21Å; D385-Y387 WeakPolarHBondContact OD1-CB 3.28Å; D385-Y387 WeakPolarHBondContact OD1-CD2 3.03Å; D385-Y387 PolarHBondContact OD1-N 3.46Å; D385-L388 HydrophobicContact CB-CB 3.95Å; D385-L388 HydrophobicContact CB-CD1 3.86Å; D385-L388 HydrophobicContact CB-CG 3.71Å; D385-L388 PolarHBondContact O-N 2.93Å; D385-L388 VanDerWaalsContact O-N 3.12Å; D385-L388 PolarHBondContact OD1-N 3.46Å; D385-K389 PolarHBondContact O-N 2.82Å
386P87.6Confident75.1Confident64 Ų6456.2 Ų56.242%0.41634%0.343SS..Hα-helixtrans-63.6-28.5-175.125.8-34.2000112P384 E390P384-P386 WeakPolarHBondContact O-CD 3.46Å; P384-P386 VanDerWaalsContact O-N 3.1Å; P386-E390 WeakPolarHBondContact O-CB 3.36Å; P386-E390 PolarHBondContact O-N 2.76Å
387Y90.6Very high75.4Confident24 Ų2454 Ų549%0.09434%0.337CS..Hα-helixtrans-75-39.1176.4-57.9-86.5000110.9Q83 H160 L161 D385 K389 F391Q83-Y387 HydrophobicContact CB-CD1 3.75Å; Q83-Y387 HydrophobicContact CB-CE1 3.97Å; H160-Y387 AromaticContact CD2-CD1 3.44Å; H160-Y387 VanDerWaalsContact CD2-CD1 3.44Å; H160-Y387 WeakPolarHBondContact CD2-CD1 3.45Å; H160-Y387 AromaticContact CD2-CD2 3.79Å; H160-Y387 AromaticContact CD2-CE1 3.21Å; H160-Y387 WeakPolarHBondContact CD2-CE1 3.37Å; H160-Y387 AromaticContact CD2-CE2 3.59Å; H160-Y387 AromaticContact CD2-CG 3.72Å; H160-Y387 AromaticContact CD2-CZ 3.28Å; H160-Y387 AromaticContact NE2-CD1 3.91Å; H160-Y387 AromaticContact NE2-CE1 3.24Å; H160-Y387 WeakPolarHBondContact NE2-CE1 3.26Å; H160-Y387 AromaticContact NE2-CZ 3.33Å; H160-Y387 VanDerWaalsContact NE2-CZ 3.33Å; H160-Y387 PolarHBondContact NE2-OH 3.33Å; L161-Y387 HydrophobicContact CB-CD2 3.98Å; L161-Y387 HydrophobicContact CB-CE2 4.25Å; L161-Y387 HydrophobicContact CD1-CE2 4.2Å; D385-Y387 PolarHBondContact O-N 3.33Å; D385-Y387 WeakPolarHBondContact OD1-CA 3.21Å; D385-Y387 WeakPolarHBondContact OD1-CB 3.28Å; D385-Y387 WeakPolarHBondContact OD1-CD2 3.03Å; D385-Y387 PolarHBondContact OD1-N 3.46Å; Y387-K389 VanDerWaalsContact C-N 3.32Å; Y387-K389 PolarHBondContact O-N 2.91Å; Y387-F391 WeakPolarHBondContact O-CD2 3.39Å; Y387-F391 PolarHBondContact O-N 3.33Å
388L90.8Very high76.4Confident26 Ų2656.3 Ų56.314%0.13634%0.344CS..Hα-helixtrans-65.5-39.6173.6-62.8-175.7000111.7I157 T158 D385 F391 G392 I393 V395I157-L388 HydrophobicContact CG2-CD2 4.13Å; T158-L388 HydrophobicContact CG2-CD2 3.8Å; D385-L388 HydrophobicContact CB-CB 3.95Å; D385-L388 HydrophobicContact CB-CD1 3.86Å; D385-L388 HydrophobicContact CB-CG 3.71Å; D385-L388 PolarHBondContact O-N 2.93Å; D385-L388 VanDerWaalsContact O-N 3.12Å; D385-L388 PolarHBondContact OD1-N 3.46Å; L388-F391 CarbonylContact O-C 3.42Å; L388-F391 PolarHBondContact O-N 2.98Å; L388-G392 PolarHBondContact O-N 3.33Å; L388-G392 VanDerWaalsContact O-N 3.12Å; L388-I393 HydrophobicContact CB-CB 4.36Å; L388-I393 HydrophobicContact CD2-CB 4.24Å; L388-I393 HydrophobicContact CD2-CD1 4.37Å; L388-I393 HydrophobicContact CD2-CG2 4.16Å; L388-I393 PolarHBondContact O-N 3.42Å; L388-V395 HydrophobicContact CD1-CG2 4.22Å
389K90.5Very high78.3Confident156 Ų15655.9 Ų55.968%0.67834%0.341SS*.Hα-helixtrans-61.7-44.6178.4-172.8-177.3177.8-174.20112D385 Y387 F391 G392D385-K389 PolarHBondContact O-N 2.82Å; Y387-K389 VanDerWaalsContact C-N 3.32Å; Y387-K389 PolarHBondContact O-N 2.91Å; K389-F391 PolarHBondContact O-N 2.89Å; K389-G392 PolarHBondContact O-N 3.41Å
390E92Very high80.5Confident51 Ų5153.6 Ų53.624%0.23833%0.325CS..Hα-helixtrans-54.1-42.1175.4174.870.8178.600111.9R82 Q83 A95 P386 G392R82-E390 WeakPolarHBondContact CA-OE1 3.31Å; Q83-E390 HydrophobicContact CB-CB 4.14Å; Q83-E390 HydrophobicContact CB-CG 4.12Å; A95-E390 HydrophobicContact CB-CG 4.16Å; P386-E390 WeakPolarHBondContact O-CB 3.36Å; P386-E390 PolarHBondContact O-N 2.76Å; E390-G392 VanDerWaalsContact C-N 3.31Å; E390-G392 PolarHBondContact O-N 3.46Å
391F93.3Very high82.9Confident1 Ų158 Ų580%0.00435%0.345CS..THydrogen-bonded Turntrans-885.5-179.8-73.3-100.5000113.4P42 V46 Y93 A95 I157 Y387 L388 K389 I393P42-F391 WeakPolarHBondContact CG-O 3.29Å; V46-F391 HydrophobicContact CG1-CE1 3.86Å; V46-F391 HydrophobicContact CG2-CD1 4.09Å; V46-F391 HydrophobicContact CG2-CE1 4.2Å; Y93-F391 WeakPolarHBondContact O-CZ 3.3Å; A95-F391 HydrophobicContact CB-CD1 4.1Å; A95-F391 HydrophobicContact CB-CE1 4.32Å; A95-F391 HydrophobicContact CB-CG 4.28Å; I157-F391 HydrophobicContact CD1-CD1 3.43Å; I157-F391 VanDerWaalsContact CD1-CD1 3.43Å; I157-F391 HydrophobicContact CD1-CD2 4.48Å; I157-F391 HydrophobicContact CD1-CE1 3.39Å; I157-F391 HydrophobicContact CD1-CE2 4.44Å; I157-F391 HydrophobicContact CD1-CG 3.98Å; I157-F391 HydrophobicContact CD1-CZ 3.91Å; I157-F391 HydrophobicContact CG1-CD1 4.17Å; I157-F391 HydrophobicContact CG1-CD2 4.42Å; I157-F391 HydrophobicContact CG1-CE1 3.89Å; I157-F391 HydrophobicContact CG1-CE2 4.15Å; I157-F391 HydrophobicContact CG1-CG 4.4Å; I157-F391 HydrophobicContact CG1-CZ 3.85Å; I157-F391 HydrophobicContact CG2-CB 4.33Å; I157-F391 HydrophobicContact CG2-CD2 3.82Å; I157-F391 HydrophobicContact CG2-CE2 4.16Å; I157-F391 HydrophobicContact CG2-CG 3.98Å; Y387-F391 WeakPolarHBondContact O-CD2 3.39Å; Y387-F391 PolarHBondContact O-N 3.33Å; L388-F391 CarbonylContact O-C 3.42Å; L388-F391 PolarHBondContact O-N 2.98Å; K389-F391 PolarHBondContact O-N 2.89Å; F391-I393 HydrophobicContact CB-CD1 3.79Å; F391-I393 HydrophobicContact CB-CG1 3.97Å; F391-I393 PolarHBondContact O-N 2.93Å
392G92.4Very high85.7Confident40 Ų4053.8 Ų53.841%0.41232%0.319SS..THydrogen-bonded Turntrans62.123.4-17800000114.6P42 L388 K389 E390P42-G392 WeakPolarHBondContact CD-O 3.46Å; L388-G392 PolarHBondContact O-N 3.33Å; L388-G392 VanDerWaalsContact O-N 3.12Å; K389-G392 PolarHBondContact O-N 3.41Å; E390-G392 VanDerWaalsContact C-N 3.31Å; E390-G392 PolarHBondContact O-N 3.46Å
393I91.3Very high88.6Confident7 Ų754 Ų544%0.03631%0.305CS..  trans-88.3129.2-178-62.6168.5000109.5V39 L154 I157 L388 F391V39-I393 HydrophobicContact CG1-CG2 3.57Å; L154-I393 HydrophobicContact CD2-CD1 3.59Å; L154-I393 HydrophobicContact CD2-CG1 4.37Å; I157-I393 HydrophobicContact CG2-CD1 3.91Å; L388-I393 HydrophobicContact CB-CB 4.36Å; L388-I393 HydrophobicContact CD2-CB 4.24Å; L388-I393 HydrophobicContact CD2-CD1 4.37Å; L388-I393 HydrophobicContact CD2-CG2 4.16Å; L388-I393 PolarHBondContact O-N 3.42Å; F391-I393 HydrophobicContact CB-CD1 3.79Å; F391-I393 HydrophobicContact CB-CG1 3.97Å; F391-I393 PolarHBondContact O-N 2.93Å
394V90.1Very high90.9Very high76 Ų7652.6 Ų52.646%0.46129%0.29SS..EExtended strand (participates in β ladder)trans-119.7132.7176.8-1780000109.7V39 Q40V39-V394 CarbonylContact C-O 3.53Å; V39-V394 WeakPolarHBondContact CA-O 3.04Å; Q40-V394 HydrophobicContact CB-CB 4.23Å; Q40-V394 PolarHBondContact N-O 2.84Å; Q40-V394 PolarHBondContact O-N 3.45Å
395V88.9Confident92.5Very high33 Ų3348.8 Ų48.820%0.226%0.262CS..EExtended strand (participates in β ladder)trans-111126.7176.6-176.60000108.5F37 V39 L207 L388F37-V395 HydrophobicContact CB-CG1 4.06Å; V39-V395 HydrophobicContact CG2-CG2 4.37Å; L207-V395 HydrophobicContact CB-CG1 4.32Å; L207-V395 HydrophobicContact CD2-CG1 3.77Å; L207-V395 HydrophobicContact CD2-CG2 4.28Å; L388-V395 HydrophobicContact CD1-CG2 4.22Å
396H89.6Confident93.3Very high80 Ų8049.9 Ų49.937%0.3727%0.269SS..  trans-72.9147.3175.1-74.1-99.3000111.4F37 Q38F37-H396 WeakPolarHBondContact CB-O 3.32Å; F37-H396 WeakPolarHBondContact CD1-O 3.47Å; Q38-H396 HydrophobicContact CB-CB 4.28Å; Q38-H396 PolarHBondContact O-N 2.91Å
397N88.9Confident93.8Very high76 Ų7647 Ų4741%0.40625%0.251SS..SBendtrans-89.5-13.3-173.9-67.7-24.6000114.1F37F37-N397 WeakPolarHBondContact CE1-O 2.87Å
398D92.6Very high94.2Very high115 Ų11549.4 Ų49.462%0.61527%0.269SS*.SBendtrans-97.6144.3-176.8-62.7-51000111.4F37F37-D398 VanDerWaalsContact CD1-O 3.28Å; F37-D398 WeakPolarHBondContact CD1-O 3.41Å
399M96.4Very high94.4Very high17 Ų1749.8 Ų49.88%0.08428%0.276CS..PPolyproline II helixtrans-61.3137.3172.2-76.5-170-177.700110L33 A34 N35 F37 Q368 I371 E401 F731L33-M399 HydrophobicContact CB-CB 4.12Å; L33-M399 HydrophobicContact CB-SD 4.23Å; L33-M399 HydrophobicContact CD2-CB 4.16Å; A34-M399 WeakPolarHBondContact O-CB 3.29Å; A34-M399 WeakPolarHBondContact O-CG 3.37Å; N35-M399 HydrophobicContact CB-CE 4.26Å; F37-M399 HydrophobicContact CE1-CG 4Å; F37-M399 HydrophobicContact CZ-CE 4.38Å; F37-M399 HydrophobicContact CZ-CG 3.75Å; Q368-M399 HydrophobicContact CG-CE 4.01Å; Q368-M399 HydrophobicContact CG-SD 3.88Å; Q368-M399 WeakPolarHBondContact O-CE 3.39Å; I371-M399 HydrophobicContact CB-CE 3.66Å; I371-M399 HydrophobicContact CD1-CE 4.4Å; I371-M399 HydrophobicContact CG2-CE 3.52Å; M399-E401 PolarHBondContact O-N 2.85Å; M399-F731 HydrophobicContact CE-CD2 4.42Å; M399-F731 HydrophobicContact CE-CE2 3.95Å; M399-F731 HydrophobicContact SD-CD2 3.87Å; M399-F731 HydrophobicContact SD-CE2 3.96Å
400T97.3Very high94.7Very high22 Ų2242.6 Ų42.614%0.13525%0.245CC..EExtended strand (participates in β ladder)trans-63.8124.7178.1-58.50000110A34 H36 M206 V402 T754 I755A34-T400 PolarHBondContact N-O 2.71Å; A34-T400 PolarHBondContact O-N 2.9Å; H36-T400 WeakPolarHBondContact O-CB 3.47Å; H36-T400 PolarHBondContact O-N 3.47Å; H36-T400 PolarHBondContact O-OG1 3.11Å; M206-T400 HydrophobicContact CE-CG2 4.17Å; T400-V402 HydrophobicContact CG2-CG2 4.12Å; T400-T754 HydrophobicContact CG2-CG2 3.68Å; T400-I755 HydrophobicContact CG2-CG2 4.26Å
401E97.6Very high94.9Very high116 Ų11642.6 Ų42.654%0.54225%0.246SC..EExtended strand (participates in β ladder)trans-71.9133169.3-67.6-162.2-178.100110.4R31 L32 L33 M399R31-E401 IonicContact CZ-OE2 3.89Å; R31-E401 IonicContact NH2-OE1 2.75Å; R31-E401 IonicContact NH2-OE2 3.65Å; R31-E401 PolarHBondContact NH2-OE2 2.82Å; L32-E401 WeakPolarHBondContact O-CA 3.32Å; L33-E401 HydrophobicContact CD2-CG 3.77Å; M399-E401 PolarHBondContact O-N 2.85Å
402V97.1Very high95Very high3 Ų342.6 Ų42.62%0.01825%0.246CC..EExtended strand (participates in β ladder)trans-136.6135.1178.5-173.30000109.1L32 A34 T400 V751 T754 I755L32-V402 WeakPolarHBondContact CA-O 3.44Å; L32-V402 WeakPolarHBondContact CB-O 3.22Å; L32-V402 PolarHBondContact N-O 3.41Å; L32-V402 PolarHBondContact O-N 3.26Å; A34-V402 HydrophobicContact CB-CG2 4.19Å; T400-V402 HydrophobicContact CG2-CG2 4.12Å; V402-V751 HydrophobicContact CG1-CG1 3.59Å; V402-V751 HydrophobicContact CG1-CG2 4.33Å; V402-T754 HydrophobicContact CG2-CG2 4.07Å; V402-I755 HydrophobicContact CG2-CG1 4.43Å; V402-I755 HydrophobicContact CG2-CG2 3.8Å
403T97.9Very high95.1Very high87 Ų8741.7 Ų41.753%0.53423%0.231SC..EExtended strand (participates in β ladder)trans-88.8110.5170.1-61.30000108.5P29P29-T403 HydrophobicContact CB-CG2 4.35Å
404G98.2Very high95.2Very high1 Ų141.3 Ų41.31%0.0123%0.229CC..EExtended strand (participates in β ladder)trans-91.7178.1171.200000112.2P29 I30 T750P29-G404 WeakPolarHBondContact CA-O 3.33Å; I30-G404 PolarHBondContact N-O 3.06Å; I30-G404 PolarHBondContact O-N 2.77Å; G404-T750 CarbonylContact C-O 3.56Å; G404-T750 VanDerWaalsContact CA-O 3.22Å; G404-T750 WeakPolarHBondContact CA-O 3.28Å
405R98.6Very high95Very high21 Ų2138 Ų388%0.07921%0.21CC..EExtended strand (participates in β ladder)trans-127.7137171.6-67.7170.2-67.5113.8-1.3110.3G24 V26 K28 T749 T750 D752 D792G24-R405 WeakPolarHBondContact O-CD 3.22Å; G24-R405 PolarHBondContact O-NE 2.51Å; V26-R405 WeakPolarHBondContact O-CD 3.18Å; V26-R405 PolarHBondContact O-NH1 2.9Å; K28-R405 CarbonylContact O-C 3.5Å; K28-R405 WeakPolarHBondContact O-CA 3.45Å; R405-T749 CarbonylContact O-C 3.43Å; R405-T749 WeakPolarHBondContact O-CA 3.32Å; R405-T750 PolarHBondContact N-O 2.8Å; R405-T750 PolarHBondContact O-N 2.78Å; R405-D752 IonicContact CZ-OD1 3.95Å; R405-D752 IonicContact NE-OD1 2.86Å; R405-D752 IonicContact NH2-OD1 3.95Å; R405-D752 PolarHBondContact NH2-OD1 3.19Å; R405-D752 IonicContact NH2-OD2 3.97Å; R405-D752 PolarHBondContact NH2-OD2 3.05Å; R405-D792 IonicContact NH1-OD1 3.73Å
406V98.6Very high94Very high31 Ų3137.1 Ų37.119%0.18821%0.207CC..EExtended strand (participates in β ladder)trans-93.3104.8171.3-172.70000108G27 K28 I30 P746G27-V406 CarbonylContact C-O 3.54Å; G27-V406 WeakPolarHBondContact CA-O 3.39Å; K28-V406 PolarHBondContact N-O 2.71Å; K28-V406 PolarHBondContact O-N 3.44Å; I30-V406 HydrophobicContact CB-CG2 4.06Å; I30-V406 HydrophobicContact CD1-CG2 4.27Å; I30-V406 HydrophobicContact CG2-CG2 3.73Å; V406-P746 HydrophobicContact CG1-CB 4.41Å; V406-P746 HydrophobicContact CG1-CG 4.27Å; V406-P746 HydrophobicContact CG2-CG 3.7Å
407L98.4Very high92.5Very high5 Ų541.2 Ų41.23%0.02622%0.22CC..PPolyproline II helixtrans-65.1144.9179.7-63.6179.4000111.3V26 A409 G748 T750 L765 Q795 L796 Y799V26-L407 WeakPolarHBondContact O-CD2 3.4Å; L407-A409 PolarHBondContact O-N 3.1Å; L407-G748 PolarHBondContact N-O 3.2Å; L407-T750 VanDerWaalsContact CD1-OG1 3.29Å; L407-T750 WeakPolarHBondContact CD1-OG1 3.26Å; L407-T750 WeakPolarHBondContact CG-OG1 3.32Å; L407-L765 HydrophobicContact CD1-CD1 4.22Å; L407-Q795 HydrophobicContact CD1-CB 4.11Å; L407-L796 HydrophobicContact CB-CD2 4.43Å; L407-L796 HydrophobicContact CD2-CD2 4.23Å; L407-Y799 HydrophobicContact CB-CD1 3.72Å; L407-Y799 HydrophobicContact CB-CE1 4.05Å; L407-Y799 HydrophobicContact CD1-CD1 4.34Å; L407-Y799 HydrophobicContact CD1-CG 4.42Å
408P97.1Very high90.7Very high74 Ų7443.1 Ų43.148%0.48123%0.234SC..PPolyproline II helixtrans-65.7133.9173.228.6-34.2000110.4V26 L796V26-P408 HydrophobicContact CG1-CG 4.19Å; P408-L796 HydrophobicContact CG-CD2 4.09Å
409A96.8Very high88.3Confident33 Ų3341.1 Ų41.127%0.27323%0.229SC..PPolyproline II helixtrans-72.6141.917300000110.3L407 P435 Y799L407-A409 PolarHBondContact O-N 3.1Å; A409-P435 HydrophobicContact CB-CB 3.86Å; A409-P435 HydrophobicContact CB-CG 4.1Å; A409-Y799 HydrophobicContact CB-CE1 4.25Å
410P96.3Very high85.6Confident5 Ų546.3 Ų46.33%0.03226%0.261CS..PPolyproline II helixtrans-68.1148.9174.630-35.6000111.1P435 L583 Q800 H803P410-P435 WeakPolarHBondContact O-CD 3.16Å; P410-P435 VanDerWaalsContact O-CG 3.31Å; P410-P435 WeakPolarHBondContact O-CG 3.23Å; P410-L583 HydrophobicContact CB-CD2 3.72Å; P410-L583 HydrophobicContact CG-CD2 3.74Å; P410-Q800 HydrophobicContact CB-CG 3.94Å; P410-Q800 HydrophobicContact CG-CB 4.37Å; P410-Q800 HydrophobicContact CG-CG 4.04Å; P410-H803 VanDerWaalsContact CD-CE1 3.5Å; P410-H803 WeakPolarHBondContact CD-CE1 3.42Å; P410-H803 HydrophobicContact CG-CB 3.96Å
411M95.6Very high83Confident52 Ų5252.1 Ų52.126%0.25629%0.292SS..PPolyproline II helixtrans-76145.2163.7-63.2-168.9-53.100110.5V432 V584 Q587M411-V432 HydrophobicContact CB-CG1 3.72Å; M411-V432 HydrophobicContact CG-CG1 4.26Å; M411-V432 HydrophobicContact SD-CG1 4.05Å; M411-V584 HydrophobicContact CB-CB 4.26Å; M411-V584 HydrophobicContact CB-CG2 3.62Å; M411-V584 HydrophobicContact CE-CG1 4.48Å; M411-V584 WeakPolarHBondContact O-CG2 3.3Å; M411-V584 PolarHBondContact O-N 2.95Å; M411-V584 VanDerWaalsContact O-N 3.1Å; M411-Q587 VanDerWaalsContact CE-NE2 3.32Å
412L95.8Very high80.2Confident0 Ų051.8 Ų51.80%030%0.298CS..EExtended strand (participates in β ladder)trans-115.4123.9-177.2-65.3164.6000110Y414 V432 A433 P435 W440 V582 L583 H803L412-Y414 HydrophobicContact CB-CE2 4.35Å; L412-V432 CarbonylContact O-C 3.56Å; L412-V432 WeakPolarHBondContact O-CA 3.35Å; L412-A433 HydrophobicContact CB-CB 4.32Å; L412-A433 PolarHBondContact N-O 3.23Å; L412-A433 PolarHBondContact O-N 2.91Å; L412-P435 HydrophobicContact CD1-CG 4.13Å; L412-W440 HydrophobicContact CD1-CD2 3.54Å; L412-W440 HydrophobicContact CD1-CE3 3.86Å; L412-W440 HydrophobicContact CD1-CG 4.21Å; L412-W440 HydrophobicContact CD1-CH2 3.59Å; L412-W440 HydrophobicContact CD1-CZ2 3.24Å; L412-W440 HydrophobicContact CD1-CZ3 3.86Å; L412-V582 CarbonylContact C-O 3.59Å; L412-V582 WeakPolarHBondContact CA-O 3.48Å; L412-L583 HydrophobicContact CD2-CD2 4.02Å; L412-H803 HydrophobicContact CD2-CB 4.17Å
413Q94.7Very high77.5Confident21 Ų2156.1 Ų56.110%0.09834%0.343CS..EExtended strand (participates in β ladder)trans-92.1126.8-179.9-171.7173.1-10.400110.8K430 N581 V582 V584 P585Q413-K430 HydrophobicContact CG-CB 4.4Å; Q413-K430 VanDerWaalsContact NE2-CE 3.26Å; Q413-K430 VanDerWaalsContact NE2-CG 3.35Å; Q413-N581 WeakPolarHBondContact O-CA 3.45Å; Q413-N581 WeakPolarHBondContact O-CB 3.35Å; Q413-V582 HydrophobicContact CB-CG2 3.9Å; Q413-V582 PolarHBondContact N-O 3.13Å; Q413-V582 PolarHBondContact O-N 2.91Å; Q413-V584 HydrophobicContact CB-CG2 4.07Å; Q413-P585 VanDerWaalsContact OE1-CD 3.31Å
414Y93.8Very high74.7Confident0 Ų062.7 Ų62.70%036%0.358CS..  trans-108.5172.7174.8-82.4-92000110.1L412 T431 A433 W440 M442 K445 Q446 N580 N581L412-Y414 HydrophobicContact CB-CE2 4.35Å; Y414-T431 WeakPolarHBondContact CB-OG1 3.05Å; Y414-T431 PolarHBondContact N-O 3.42Å; Y414-T431 PolarHBondContact O-N 2.99Å; Y414-A433 HydrophobicContact CD2-CB 4.07Å; Y414-A433 HydrophobicContact CE2-CB 3.85Å; Y414-W440 AromaticContact CE2-NE1 3.86Å; Y414-W440 AromaticContact CZ-NE1 3.83Å; Y414-W440 PolarHBondContact OH-NE1 3.43Å; Y414-M442 HydrophobicContact CD1-CE 4.22Å; Y414-M442 HydrophobicContact CE1-CE 3.75Å; Y414-M442 HydrophobicContact CE1-CG 3.99Å; Y414-M442 HydrophobicContact CE1-SD 4.07Å; Y414-K445 HydrophobicContact CD1-CB 4.13Å; Y414-K445 HydrophobicContact CD2-CD 3.89Å; Y414-K445 HydrophobicContact CE2-CD 4.19Å; Y414-K445 HydrophobicContact CG-CB 4.05Å; Y414-K445 HydrophobicContact CG-CD 4.21Å; Y414-Q446 WeakPolarHBondContact CB-O 3.26Å; Y414-Q446 WeakPolarHBondContact CD1-O 3.37Å; Y414-N580 WeakPolarHBondContact CD1-O 3.23Å; Y414-N581 HydrophobicContact CD1-CB 4.11Å; Y414-N581 HydrophobicContact CD2-CB 4.04Å; Y414-N581 HydrophobicContact CE1-CB 3.87Å; Y414-N581 HydrophobicContact CE2-CB 3.77Å; Y414-N581 HydrophobicContact CG-CB 4.21Å; Y414-N581 PolarHBondContact OH-ND2 2.73Å
415G86Confident71.8Confident7 Ų770.6 Ų70.67%0.07240%0.4CS..BIsolated β-bridgetrans-70.2-170.6169.700000112.3T431 Q446G415-T431 PolarHBondContact O-N 3.5Å; G415-T431 PolarHBondContact O-OG1 3.3Å; G415-Q446 WeakPolarHBondContact CA-O 3.41Å; G415-Q446 PolarHBondContact N-O 2.85Å
416G67.3Low69Low13 Ų1375.8 Ų75.813%0.13444%0.438CS..  trans-139152.8-178.700000112.4N429 Q446G416-N429 WeakPolarHBondContact CA-O 3.31Å; G416-Q446 PolarHBondContact O-OE1 3.49Å
417R58.5Low66.4Low167 Ų16777.1 Ų77.163%0.6346%0.458SS*.  trans-67.8136.2165.1-73.6-175.5176-169.6-2108.9S419R417-S419 PolarHBondContact O-N 3Å
418V49.7Very low64.2Low116 Ų11686 Ų8670%0.70349%0.491SS*.  trans-67.8108.3162.2-178.70000106.2T420V418-T420 HydrophobicContact CG1-CG2 4.49Å; V418-T420 PolarHBondContact O-N 2.75Å
419S42.2Very low62.4Low73 Ų7387.5 Ų87.551%0.5150%0.495SS..  trans-76.1114.5167.849.80000107.8R417 D421R417-S419 PolarHBondContact O-N 3Å; S419-D421 PolarHBondContact O-N 3.18Å
420T40.8Very low61.4Low125 Ų12592 Ų9277%0.76751%0.508SS*.  trans-81.23.917842.90000113.9V418V418-T420 HydrophobicContact CG1-CG2 4.49Å; V418-T420 PolarHBondContact O-N 2.75Å
421D41.7Very low61Low145 Ų14593.7 Ų93.778%0.77552%0.519SS*.SBendtrans-99.22-163.3-77.7-0.2000116.5S419S419-D421 PolarHBondContact O-N 3.18Å
422T39.8Very low60.8Low109 Ų10994.6 Ų94.667%0.66953%0.527SS*.  trans-144.8119.2168.947.60000110.8R424T422-R424 PolarHBondContact O-N 2.81Å
423G40Very low60.7Low93 Ų9394.8 Ų94.896%0.95953%0.529SS*.  trans-69.847.2179.800000114.6
424R38.1Very low60.7Low225 Ų22598.4 Ų98.485%0.84955%0.552SS**SBendtrans-134.5112.5170.4-72.8-175.3-171.8171.43109.5T422T422-R424 PolarHBondContact O-N 2.81Å
425D37.7Very low60.8Low167 Ų16799 Ų9989%0.89356%0.556SS**  trans50.5106.1165.1-127.2-8.7000117.9G427D425-G427 VanDerWaalsContact C-N 3.27Å; D425-G427 PolarHBondContact O-N 3.46Å
426C40.7Very low61.1Low131 Ų131104.4 Ų104.489%0.88558%0.583SS**  trans-73.366.9-174.1-59.30000113.1
427G43.8Very low62.2Low59 Ų59109.1 Ų109.161%0.60860%0.602SS**  trans-73.6119.5164.600000110.7D425 N429D425-G427 VanDerWaalsContact C-N 3.27Å; D425-G427 PolarHBondContact O-N 3.46Å; G427-N429 PolarHBondContact O-N 2.8Å
428R53.2Low63.8Low192 Ų192101.3 Ų101.373%0.72557%0.573SS**  trans-56.6114.6166-79.8179.6-179.3161.62.2108.3K430R428-K430 VanDerWaalsContact C-N 3.25Å; R428-K430 PolarHBondContact O-N 2.9Å
429N59.2Low66Low104 Ų10498 Ų9856%0.55655%0.553SS**  trans-65.381.3174.1-90.4-16.7000111.2G416 G427 T431G416-N429 WeakPolarHBondContact CA-O 3.31Å; G427-N429 PolarHBondContact O-N 2.8Å; N429-T431 PolarHBondContact O-N 3.17Å
430K75.9Confident68.5Low127 Ų12795.2 Ų95.255%0.55253%0.532SS*.  trans-58.1120.9177.9-75.1153.6157.7-175.10109.5Q413 R428Q413-K430 HydrophobicContact CG-CB 4.4Å; Q413-K430 VanDerWaalsContact NE2-CE 3.26Å; Q413-K430 VanDerWaalsContact NE2-CG 3.35Å; R428-K430 VanDerWaalsContact C-N 3.25Å; R428-K430 PolarHBondContact O-N 2.9Å
431T87.1Confident70.9Confident42 Ų4291.2 Ų91.226%0.25851%0.505SS..  trans-94.6147.4176.354.50000110.6Y414 G415 N429Y414-T431 WeakPolarHBondContact CB-OG1 3.05Å; Y414-T431 PolarHBondContact N-O 3.42Å; Y414-T431 PolarHBondContact O-N 2.99Å; G415-T431 PolarHBondContact O-N 3.5Å; G415-T431 PolarHBondContact O-OG1 3.3Å; N429-T431 PolarHBondContact O-N 3.17Å
432V91.4Very high73.2Confident71 Ų7185.2 Ų85.243%0.4347%0.473SS..EExtended strand (participates in β ladder)trans-115.9135.9178.6179.40000109.5M411 L412 V584M411-V432 HydrophobicContact CB-CG1 3.72Å; M411-V432 HydrophobicContact CG-CG1 4.26Å; M411-V432 HydrophobicContact SD-CG1 4.05Å; L412-V432 CarbonylContact O-C 3.56Å; L412-V432 WeakPolarHBondContact O-CA 3.35Å; V432-V584 HydrophobicContact CG1-CG2 4.37Å
433A93.4Very high75.5Confident3 Ų389.4 Ų89.43%0.02548%0.477CS..EExtended strand (participates in β ladder)trans-107.1130.4170.200000109.4L412 Y414 W440 K445L412-A433 HydrophobicContact CB-CB 4.32Å; L412-A433 PolarHBondContact N-O 3.23Å; L412-A433 PolarHBondContact O-N 2.91Å; Y414-A433 HydrophobicContact CD2-CB 4.07Å; Y414-A433 HydrophobicContact CE2-CB 3.85Å; A433-W440 HydrophobicContact CB-CB 4.34Å; A433-W440 HydrophobicContact CB-CG 4.26Å; A433-K445 HydrophobicContact CB-CD 4Å
434T94.1Very high77.8Confident98 Ų9888.5 Ų88.560%0.60147%0.468SS*.  trans-103.8113.3173.2-53.30000108.4N436T434-N436 PolarHBondContact O-N 3.27Å
435P95.5Very high80.3Confident12 Ų1279.4 Ų79.48%0.07843%0.434CS..  trans-59.3131.2174.5-23.334.2000111.1A409 P410 L412 V439 W440A409-P435 HydrophobicContact CB-CB 3.86Å; A409-P435 HydrophobicContact CB-CG 4.1Å; P410-P435 WeakPolarHBondContact O-CD 3.16Å; P410-P435 VanDerWaalsContact O-CG 3.31Å; P410-P435 WeakPolarHBondContact O-CG 3.23Å; L412-P435 HydrophobicContact CD1-CG 4.13Å; P435-V439 WeakPolarHBondContact CA-O 3.29Å; P435-W440 HydrophobicContact CB-CE3 4.01Å; P435-W440 HydrophobicContact CG-CE3 3.92Å; P435-W440 HydrophobicContact CG-CZ3 4.38Å
436N93Very high83.1Confident120 Ų12073.4 Ų73.464%0.64240%0.401SS*.BIsolated β-bridgetrans-114.2123.6171-17614.7000108.7T434 G438 V439T434-N436 PolarHBondContact O-N 3.27Å; N436-G438 PolarHBondContact O-N 2.77Å; N436-G438 VanDerWaalsContact O-N 3.11Å; N436-V439 PolarHBondContact N-O 2.75Å; N436-V439 PolarHBondContact O-N 3.3Å
437Q90.4Very high85.7Confident112 Ų11267.5 Ų67.552%0.52336%0.36SS..THydrogen-bonded Turntrans47.241.1-175.4-62.7-178.6-13.800112.8V439 V739 A769Q437-V439 PolarHBondContact O-N 3.49Å; Q437-V739 HydrophobicContact CB-CG1 4.49Å; Q437-V739 HydrophobicContact CG-CG1 4.4Å; Q437-A769 WeakPolarHBondContact O-CB 3.26Å
438G92.1Very high88.1Confident3 Ų367.6 Ų67.63%0.03134%0.342CS..THydrogen-bonded Turntrans75.614.817900000115.8N436 R810 S811N436-G438 PolarHBondContact O-N 2.77Å; N436-G438 VanDerWaalsContact O-N 3.11Å; G438-R810 WeakPolarHBondContact O-CA 3.43Å; G438-S811 PolarHBondContact O-N 2.75Å
439V95.8Very high90.1Very high46 Ų4660.3 Ų60.328%0.27932%0.324SS..BIsolated β-bridgetrans-132.2143.9179.8-173.60000110.8P435 N436 Q437 R810P435-V439 WeakPolarHBondContact CA-O 3.29Å; N436-V439 PolarHBondContact N-O 2.75Å; N436-V439 PolarHBondContact O-N 3.3Å; Q437-V439 PolarHBondContact O-N 3.49Å; V439-R810 HydrophobicContact CG1-CG 4.38Å; V439-R810 HydrophobicContact CG2-CG 4.47Å; V439-R810 VanDerWaalsContact CG2-CZ 3.41Å; V439-R810 VanDerWaalsContact CG2-NH1 3.34Å
440W95.6Very high91.8Very high15 Ų1556.9 Ų56.96%0.05731%0.313CS..  trans-142.1179.1165.366.3101.7000109.3L412 Y414 A433 P435 H803 T809 R810L412-W440 HydrophobicContact CD1-CD2 3.54Å; L412-W440 HydrophobicContact CD1-CE3 3.86Å; L412-W440 HydrophobicContact CD1-CG 4.21Å; L412-W440 HydrophobicContact CD1-CH2 3.59Å; L412-W440 HydrophobicContact CD1-CZ2 3.24Å; L412-W440 HydrophobicContact CD1-CZ3 3.86Å; Y414-W440 AromaticContact CE2-NE1 3.86Å; Y414-W440 AromaticContact CZ-NE1 3.83Å; Y414-W440 PolarHBondContact OH-NE1 3.43Å; A433-W440 HydrophobicContact CB-CB 4.34Å; A433-W440 HydrophobicContact CB-CG 4.26Å; P435-W440 HydrophobicContact CB-CE3 4.01Å; P435-W440 HydrophobicContact CG-CE3 3.92Å; P435-W440 HydrophobicContact CG-CZ3 4.38Å; W440-H803 HydrophobicContact CH2-CB 4.28Å; W440-H803 AromaticContact CZ3-CD2 3.73Å; W440-T809 VanDerWaalsContact CE2-CA 3.41Å; W440-T809 VanDerWaalsContact CZ2-CA 3.47Å; W440-T809 PolarHBondContact N-O 3.14Å; W440-T809 VanDerWaalsContact N-O 3.07Å; W440-T809 WeakPolarHBondContact O-CB 3.39Å; W440-T809 PolarHBondContact O-OG1 3.19Å; W440-R810 VanDerWaalsContact CH2-C 3.43Å; W440-R810 VanDerWaalsContact CH2-N 3.3Å; W440-R810 VanDerWaalsContact CZ3-CA 3.44Å
441D90.7Very high92.8Very high41 Ų4152.9 Ų52.922%0.21930%0.297CS..  trans-137.3169.9175.268.949.3000112.5R443 K445D441-R443 WeakPolarHBondContact OD1-CB 3.39Å; D441-R443 PolarHBondContact OD1-N 2.82Å; D441-R443 IonicContact OD1-NE 3.63Å; D441-R443 IonicContact OD2-CZ 2.8Å; D441-R443 IonicContact OD2-NE 3.19Å; D441-R443 PolarHBondContact OD2-NE 2.93Å; D441-R443 IonicContact OD2-NH2 3.57Å; D441-R443 PolarHBondContact OD2-NH2 2.92Å; D441-K445 WeakPolarHBondContact O-CE 3.42Å; D441-K445 PolarHBondContact O-NZ 2.89Å; D441-K445 IonicContact OD1-NZ 3.93Å; D441-K445 PolarHBondContact OD1-NZ 3.45Å
442M90.1Very high93.3Very high20 Ų2054.6 Ų54.610%0.09930%0.302CS..  trans-95.210.1178.3-68.2-161.959.700114.2Y414 G444 K445 F447 A486 L570 T809Y414-M442 HydrophobicContact CD1-CE 4.22Å; Y414-M442 HydrophobicContact CE1-CE 3.75Å; Y414-M442 HydrophobicContact CE1-CG 3.99Å; Y414-M442 HydrophobicContact CE1-SD 4.07Å; M442-G444 PolarHBondContact O-N 2.93Å; M442-K445 PolarHBondContact O-N 2.91Å; M442-F447 HydrophobicContact CE-CD1 3.55Å; M442-F447 HydrophobicContact CE-CE1 3.37Å; M442-F447 HydrophobicContact CE-CG 4.35Å; M442-F447 HydrophobicContact CE-CZ 4.08Å; M442-F447 HydrophobicContact SD-CD1 4.21Å; M442-F447 HydrophobicContact SD-CE1 3.54Å; M442-F447 VanDerWaalsContact SD-CE1 3.54Å; M442-F447 HydrophobicContact SD-CZ 4.26Å; M442-A486 HydrophobicContact CE-CB 4.13Å; M442-L570 HydrophobicContact SD-CD2 3.74Å; M442-L570 HydrophobicContact SD-CG 4.38Å; M442-T809 HydrophobicContact CG-CG2 3.72Å; M442-T809 HydrophobicContact SD-CG2 4.5Å
443R88.4Confident93.6Very high196 Ų19651.2 Ų51.274%0.7428%0.281SS*.THydrogen-bonded Turntrans-62.8127.6179.5-66.7179.3-70.2173.1-1.7109.1D441 K445D441-R443 WeakPolarHBondContact OD1-CB 3.39Å; D441-R443 PolarHBondContact OD1-N 2.82Å; D441-R443 IonicContact OD1-NE 3.63Å; D441-R443 IonicContact OD2-CZ 2.8Å; D441-R443 IonicContact OD2-NE 3.19Å; D441-R443 PolarHBondContact OD2-NE 2.93Å; D441-R443 IonicContact OD2-NH2 3.57Å; D441-R443 PolarHBondContact OD2-NH2 2.92Å; R443-K445 VanDerWaalsContact C-N 3.26Å; R443-K445 PolarHBondContact O-N 2.86Å; R443-K445 PolarHBondContact O-NZ 3.37Å
444G86.8Confident93.8Very high75 Ų7556.7 Ų56.777%0.77331%0.305SS*.THydrogen-bonded Turntrans71.311.6-17600000115.3M442M442-G444 PolarHBondContact O-N 2.93Å
445K91.8Very high94Very high33 Ų3353.9 Ų53.914%0.14329%0.287CS..  trans-123.8145.9-174.4-53.5178.2-163.570.60111.1Y414 A433 D441 M442 R443Y414-K445 HydrophobicContact CD1-CB 4.13Å; Y414-K445 HydrophobicContact CD2-CD 3.89Å; Y414-K445 HydrophobicContact CE2-CD 4.19Å; Y414-K445 HydrophobicContact CG-CB 4.05Å; Y414-K445 HydrophobicContact CG-CD 4.21Å; A433-K445 HydrophobicContact CB-CD 4Å; D441-K445 WeakPolarHBondContact O-CE 3.42Å; D441-K445 PolarHBondContact O-NZ 2.89Å; D441-K445 IonicContact OD1-NZ 3.93Å; D441-K445 PolarHBondContact OD1-NZ 3.45Å; M442-K445 PolarHBondContact O-N 2.91Å; R443-K445 VanDerWaalsContact C-N 3.26Å; R443-K445 PolarHBondContact O-N 2.86Å; R443-K445 PolarHBondContact O-NZ 3.37Å
446Q95.3Very high94.1Very high41 Ų4153.4 Ų53.419%0.19228%0.284CS..BIsolated β-bridgetrans-115.6153.4174.5-71-175.3-27.800110.5Y414 G415 G416 D485 A486Y414-Q446 WeakPolarHBondContact CB-O 3.26Å; Y414-Q446 WeakPolarHBondContact CD1-O 3.37Å; G415-Q446 WeakPolarHBondContact CA-O 3.41Å; G415-Q446 PolarHBondContact N-O 2.85Å; G416-Q446 PolarHBondContact O-OE1 3.49Å; Q446-D485 WeakPolarHBondContact CG-O 3.41Å; Q446-A486 CarbonylContact C-O 3.57Å; Q446-A486 WeakPolarHBondContact CA-O 3.34Å
447F96.2Very high94.4Very high7 Ų747.7 Ų47.73%0.03125%0.253CS..  trans-53.8145.1177.2-65.5-47.7000112M442 A449 A486 M488 C569 L570 N573 N580M442-F447 HydrophobicContact CE-CD1 3.55Å; M442-F447 HydrophobicContact CE-CE1 3.37Å; M442-F447 HydrophobicContact CE-CG 4.35Å; M442-F447 HydrophobicContact CE-CZ 4.08Å; M442-F447 HydrophobicContact SD-CD1 4.21Å; M442-F447 HydrophobicContact SD-CE1 3.54Å; M442-F447 VanDerWaalsContact SD-CE1 3.54Å; M442-F447 HydrophobicContact SD-CZ 4.26Å; F447-A449 VanDerWaalsContact C-N 3.29Å; F447-A449 PolarHBondContact O-N 3.38Å; F447-A486 HydrophobicContact CD2-CB 4.31Å; F447-A486 VanDerWaalsContact CD2-O 3.22Å; F447-A486 WeakPolarHBondContact CD2-O 3.28Å; F447-A486 HydrophobicContact CE2-CB 3.83Å; F447-A486 WeakPolarHBondContact CG-O 3.27Å; F447-A486 HydrophobicContact CZ-CB 4.05Å; F447-A486 PolarHBondContact N-O 3.37Å; F447-M488 HydrophobicContact CD2-CB 3.78Å; F447-M488 HydrophobicContact CE2-CB 3.74Å; F447-M488 HydrophobicContact CE2-SD 4.33Å; F447-C569 HydrophobicContact CE2-CB 4.34Å; F447-C569 HydrophobicContact CZ-CB 4.15Å; F447-L570 HydrophobicContact CE1-CD2 3.66Å; F447-L570 HydrophobicContact CE1-CG 4.47Å; F447-L570 HydrophobicContact CZ-CD2 4.29Å; F447-N573 HydrophobicContact CD2-CB 4.01Å; F447-N573 HydrophobicContact CE2-CB 3.78Å; F447-N573 HydrophobicContact CZ-CB 4.22Å; F447-N580 WeakPolarHBondContact CA-O 3.5Å; F447-N580 HydrophobicContact CD1-CB 3.83Å; F447-N580 HydrophobicContact CE1-CB 4.08Å
448Y94.9Very high94.8Very high61 Ų6142.4 Ų42.424%0.23923%0.229CC..THydrogen-bonded Turntrans-57.8-44177.1-176.8-91.5000111.9I579 N580 V582 H626Y448-I579 HydrophobicContact CD1-CB 4.13Å; Y448-I579 HydrophobicContact CD1-CD1 4.42Å; Y448-I579 HydrophobicContact CD1-CG2 3.79Å; Y448-I579 HydrophobicContact CG-CG2 4.21Å; Y448-I579 PolarHBondContact N-O 3.29Å; Y448-I579 VanDerWaalsContact N-O 3.13Å; Y448-N580 PolarHBondContact N-O 3.47Å; Y448-V582 HydrophobicContact CD1-CG1 3.96Å; Y448-V582 HydrophobicContact CD2-CG1 4.24Å; Y448-V582 HydrophobicContact CD2-CG2 3.75Å; Y448-V582 HydrophobicContact CE1-CG1 4.14Å; Y448-V582 HydrophobicContact CE2-CG1 4.43Å; Y448-V582 HydrophobicContact CE2-CG2 3.65Å; Y448-V582 HydrophobicContact CG-CG1 4Å; Y448-V582 HydrophobicContact CG-CG2 4.34Å; Y448-H626 PolarHBondContact OH-NE2 3.5Å
449A94.6Very high95.1Very high40 Ų4042.2 Ų42.233%0.33123%0.227SC..BIsolated β-bridgetrans-134.697.3165.500000108.6F447 N573 G578 I579F447-A449 VanDerWaalsContact C-N 3.29Å; F447-A449 PolarHBondContact O-N 3.38Å; A449-N573 PolarHBondContact O-ND2 2.95Å; A449-N573 VanDerWaalsContact O-ND2 3.17Å; A449-G578 CarbonylContact O-C 3.53Å; A449-G578 VanDerWaalsContact O-CA 3.26Å; A449-G578 WeakPolarHBondContact O-CA 3.33Å; A449-I579 HydrophobicContact CB-CB 3.92Å; A449-I579 HydrophobicContact CB-CG1 4.27Å; A449-I579 PolarHBondContact N-O 2.82Å; A449-I579 PolarHBondContact O-N 2.92Å
450G94.4Very high95.2Very high32 Ų3240 Ų4033%0.3321%0.214SC..PPolyproline II helixtrans-84.9137.6175.100000111.9G487 N573G450-G487 WeakPolarHBondContact CA-O 3.36Å; G450-N573 WeakPolarHBondContact CA-OD1 3.38Å
451I96.6Very high95.3Very high42 Ų4239.9 Ų39.922%0.21521%0.214CC..PPolyproline II helixtrans-85.1134.6175.8-57.7-59.3000110.4M488 N573 L576I451-M488 CarbonylContact O-C 3.6Å; I451-M488 WeakPolarHBondContact O-CA 3.48Å; I451-M488 WeakPolarHBondContact O-CG 3.44Å; I451-N573 PolarHBondContact N-OD1 3.01Å; I451-L576 HydrophobicContact CB-CB 4.21Å; I451-L576 HydrophobicContact CG1-CB 3.98Å; I451-L576 HydrophobicContact CG2-CB 3.99Å; I451-L576 HydrophobicContact CG2-CD1 4.21Å
452E97.3Very high95.5Very high78 Ų7838 Ų3836%0.36420%0.204SC..PPolyproline II helixtrans-81.5122.6167.9-177.3-177.5-148.900109.7K454 P489 Q491 Q521E452-K454 HydrophobicContact CG-CG 4.2Å; E452-K454 WeakPolarHBondContact OE2-CE 3.45Å; E452-K454 IonicContact OE2-NZ 3.39Å; E452-K454 PolarHBondContact OE2-NZ 3.17Å; E452-P489 HydrophobicContact CB-CG 4.34Å; E452-P489 HydrophobicContact CG-CG 4.24Å; E452-Q491 HydrophobicContact CG-CG 4.48Å; E452-Q491 PolarHBondContact OE1-NE2 3.24Å; E452-Q521 PolarHBondContact O-NE2 3.33Å
453I98.2Very high95.7Very high0 Ų039.9 Ų39.90%022%0.218CC..BIsolated β-bridgetrans-104.4107.6-177.9-56.5176.3000108.5W456 M488 P489 I490 Q491 I572 L576I453-W456 HydrophobicContact CG2-CB 3.82Å; I453-W456 HydrophobicContact CG2-CG 4.04Å; I453-M488 HydrophobicContact CD1-CE 4Å; I453-M488 HydrophobicContact CD1-CG 4.12Å; I453-M488 HydrophobicContact CD1-SD 3.99Å; I453-M488 HydrophobicContact CG1-CG 4.48Å; I453-P489 PolarHBondContact N-O 2.88Å; I453-I490 HydrophobicContact CB-CG1 4.08Å; I453-I490 HydrophobicContact CD1-CD1 4.46Å; I453-I490 HydrophobicContact CD1-CG1 3.87Å; I453-I490 HydrophobicContact CG1-CG1 4.41Å; I453-Q491 PolarHBondContact O-N 3.12Å; I453-I572 HydrophobicContact CD1-CG2 3.58Å; I453-L576 HydrophobicContact CD1-CD1 3.56Å; I453-L576 HydrophobicContact CG1-CD1 3.65Å
454K97.6Very high95.9Very high118 Ų11835.7 Ų35.751%0.51321%0.207SC..  trans-97.6-47-177.3-59.4-176.6-179.5178.60112.2E452E452-K454 HydrophobicContact CG-CG 4.2Å; E452-K454 WeakPolarHBondContact OE2-CE 3.45Å; E452-K454 IonicContact OE2-NZ 3.39Å; E452-K454 PolarHBondContact OE2-NZ 3.17Å
455V98.1Very high96.2Very high39 Ų3942 Ų4224%0.23621%0.213CC..SBendtrans-120.6114.2-175.7-171.50000109.2C495 L520 Q521V455-C495 HydrophobicContact CG1-CB 4.41Å; V455-L520 HydrophobicContact CG1-CB 4.3Å; V455-L520 HydrophobicContact CG1-CD1 4.16Å; V455-Q521 WeakPolarHBondContact O-CB 3.2Å; V455-Q521 PolarHBondContact O-N 3.35Å
456W98.6Very high96.2Very high2 Ų245 Ų451%0.00823%0.227CC..EExtended strand (participates in β ladder)trans-150.2154.4-17768.9-72.6000111.3I453 V458 T476 I490 P494 C495 L522 V524I453-W456 HydrophobicContact CG2-CB 3.82Å; I453-W456 HydrophobicContact CG2-CG 4.04Å; W456-V458 HydrophobicContact CE3-CG2 4.11Å; W456-V458 HydrophobicContact CH2-CG2 4.05Å; W456-V458 HydrophobicContact CZ3-CG2 3.4Å; W456-V458 VanDerWaalsContact CZ3-CG2 3.4Å; W456-T476 HydrophobicContact CH2-CG2 3.45Å; W456-T476 VanDerWaalsContact CH2-CG2 3.45Å; W456-T476 HydrophobicContact CZ2-CG2 3.7Å; W456-I490 HydrophobicContact CD2-CG2 4.2Å; W456-I490 VanDerWaalsContact CE2-CG2 3.49Å; W456-I490 HydrophobicContact CG-CG2 4.42Å; W456-I490 HydrophobicContact CZ2-CG2 3.83Å; W456-I490 VanDerWaalsContact NE1-CG2 3.29Å; W456-P494 HydrophobicContact CD2-CB 3.96Å; W456-P494 HydrophobicContact CE3-CB 4.02Å; W456-P494 HydrophobicContact CH2-CB 3.91Å; W456-P494 HydrophobicContact CH2-CG 3.99Å; W456-P494 HydrophobicContact CZ2-CB 3.85Å; W456-P494 VanDerWaalsContact CZ2-CD 3.47Å; W456-P494 HydrophobicContact CZ2-CG 4.07Å; W456-P494 HydrophobicContact CZ3-CB 4.01Å; W456-P494 HydrophobicContact CZ3-CG 4.45Å; W456-P494 CarbonylContact O-C 3.52Å; W456-P494 VanDerWaalsContact O-CA 3.23Å; W456-P494 WeakPolarHBondContact O-CA 3.25Å; W456-P494 WeakPolarHBondContact O-CB 3.41Å; W456-C495 PolarHBondContact O-N 2.9Å; W456-C495 PolarHBondContact O-SG 2.73Å; W456-L522 CarbonylContact C-O 3.58Å; W456-L522 VanDerWaalsContact CA-O 3.28Å; W456-L522 WeakPolarHBondContact CA-O 3.24Å; W456-L522 HydrophobicContact CB-CB 4.24Å; W456-V524 HydrophobicContact CE3-CG2 4.13Å; W456-V524 HydrophobicContact CZ3-CG2 4.17Å
457A98.6Very high96.1Very high0 Ų043 Ų430%022%0.218CC..EExtended strand (participates in β ladder)trans-128.1158.2-175.500000112.2F496 L513 L520 L522 I523 V524A457-F496 CarbonylContact C-O 3.33Å; A457-F496 WeakPolarHBondContact CA-O 3.38Å; A457-F496 HydrophobicContact CB-CB 3.99Å; A457-F496 HydrophobicContact CB-CD1 4.45Å; A457-L513 HydrophobicContact CB-CD1 4.26Å; A457-L513 HydrophobicContact CB-CD2 3.94Å; A457-L520 HydrophobicContact CB-CD1 4.17Å; A457-L522 PolarHBondContact N-O 3.35Å; A457-I523 WeakPolarHBondContact O-CA 3.29Å; A457-V524 PolarHBondContact O-N 3.21Å
458V98.6Very high96.1Very high1 Ų149 Ų491%0.00624%0.241CC..EExtended strand (participates in β ladder)trans-120.9125.4173179.30000109.7W456 P494 F496 C497 K498 V524 I526W456-V458 HydrophobicContact CE3-CG2 4.11Å; W456-V458 HydrophobicContact CH2-CG2 4.05Å; W456-V458 HydrophobicContact CZ3-CG2 3.4Å; W456-V458 VanDerWaalsContact CZ3-CG2 3.4Å; V458-P494 HydrophobicContact CG2-CB 4.02Å; V458-P494 HydrophobicContact CG2-CG 4.06Å; V458-F496 PolarHBondContact N-O 2.9Å; V458-C497 HydrophobicContact CB-CB 4.34Å; V458-C497 WeakPolarHBondContact O-CA 3.32Å; V458-K498 PolarHBondContact O-N 2.84Å; V458-V524 CarbonylContact C-O 3.52Å; V458-V524 WeakPolarHBondContact CA-O 3.48Å; V458-V524 HydrophobicContact CG2-CB 4.4Å; V458-I526 HydrophobicContact CG1-CD1 3.99Å
459A98.3Very high96.1Very high0 Ų052.1 Ų52.10%026%0.257CS..EExtended strand (participates in β ladder)trans-118113173.100000109.7F461 M509 I523 V524 V525 I526A459-F461 HydrophobicContact CB-CE2 3.94Å; A459-M509 HydrophobicContact CB-SD 3.64Å; A459-I523 HydrophobicContact CB-CG2 4.24Å; A459-V524 PolarHBondContact N-O 2.61Å; A459-V525 CarbonylContact O-C 3.46Å; A459-V525 WeakPolarHBondContact O-CA 3.43Å; A459-I526 PolarHBondContact O-N 3.34Å
460C98.1Very high96.1Very high0 Ų054 Ų540%026%0.262CS..EExtended strand (participates in β ladder)trans-101.8108.1-176.2-168.40000111.6L472 K498 Y499 A500 I526C460-L472 HydrophobicContact CB-CD1 4.35Å; C460-K498 PolarHBondContact N-O 2.83Å; C460-Y499 HydrophobicContact CB-CD1 3.74Å; C460-Y499 HydrophobicContact CB-CE1 3.96Å; C460-Y499 HydrophobicContact CB-CG 4.43Å; C460-Y499 CarbonylContact O-C 3.59Å; C460-Y499 VanDerWaalsContact O-CA 3.24Å; C460-Y499 WeakPolarHBondContact O-CA 3.39Å; C460-A500 PolarHBondContact O-N 3.45Å; C460-I526 HydrophobicContact CB-CB 4.41Å
461F97.6Very high96.2Very high11 Ų1154.3 Ų54.35%0.04826%0.255CS..  trans-94.62.3175.2-69.1-100.3000113.1A459 A500 G502 S505 V506 V525 I526 L527 V533A459-F461 HydrophobicContact CB-CE2 3.94Å; F461-A500 WeakPolarHBondContact CA-O 3.43Å; F461-A500 HydrophobicContact CD1-CB 3.99Å; F461-A500 HydrophobicContact CE1-CB 3.7Å; F461-A500 HydrophobicContact CE2-CB 4.47Å; F461-A500 HydrophobicContact CZ-CB 3.94Å; F461-G502 WeakPolarHBondContact CE1-O 3.4Å; F461-S505 WeakPolarHBondContact CE1-OG 3.24Å; F461-V506 HydrophobicContact CE1-CG2 3.67Å; F461-V506 HydrophobicContact CE2-CG2 4.48Å; F461-V506 HydrophobicContact CZ-CB 4.39Å; F461-V506 HydrophobicContact CZ-CG2 3.55Å; F461-V525 HydrophobicContact CD2-CG1 3.66Å; F461-V525 HydrophobicContact CE2-CG1 3.85Å; F461-I526 WeakPolarHBondContact CA-O 3.41Å; F461-I526 WeakPolarHBondContact CB-O 3.45Å; F461-I526 PolarHBondContact N-O 3.28Å; F461-L527 HydrophobicContact CB-CD2 4.21Å; F461-V533 HydrophobicContact CB-CG1 4.26Å; F461-V533 HydrophobicContact CD1-CG1 3.65Å; F461-V533 HydrophobicContact CD1-CG2 4.27Å; F461-V533 HydrophobicContact CD2-CG1 4.17Å; F461-V533 HydrophobicContact CE1-CG1 3.94Å; F461-V533 HydrophobicContact CE2-CG1 4.44Å; F461-V533 HydrophobicContact CG-CG1 3.77Å; F461-V533 HydrophobicContact CZ-CG1 4.35Å
462A95.7Very high96.2Very high2 Ų252.7 Ų52.72%0.01725%0.247CC..SBendtrans-81.5142.1170.200000109.6Q464 C467 I526 P528 V554A462-Q464 PolarHBondContact O-N 2.97Å; A462-C467 HydrophobicContact CB-CB 3.97Å; A462-I526 HydrophobicContact CB-CG2 4.29Å; A462-P528 HydrophobicContact CB-CB 4.36Å; A462-V554 HydrophobicContact CB-CB 3.95Å; A462-V554 HydrophobicContact CB-CG2 3.8Å
463P93.9Very high96.1Very high60 Ų6055.2 Ų55.239%0.3926%0.257SS..  trans-55.3137.8176.1-24.433.4000111.4K465 Q466 C467P463-K465 PolarHBondContact O-N 3.34Å; P463-K465 VanDerWaalsContact O-N 3.14Å; P463-Q466 WeakPolarHBondContact O-CA 3.42Å; P463-Q466 WeakPolarHBondContact O-CB 3.06Å; P463-Q466 PolarHBondContact O-N 3.01Å; P463-C467 PolarHBondContact O-N 2.83Å
464Q92.9Very high96Very high108 Ų10857.7 Ų57.751%0.50527%0.274SS..THydrogen-bonded Turntrans-56.6-33.5-178.2-172.6177.214.600112.8A462 Q466 C467 R468 Y499A462-Q464 PolarHBondContact O-N 2.97Å; Q464-Q466 VanDerWaalsContact C-N 3.27Å; Q464-Q466 PolarHBondContact O-N 2.82Å; Q464-C467 CarbonylContact O-C 3.2Å; Q464-C467 PolarHBondContact O-N 3.07Å; Q464-R468 WeakPolarHBondContact O-CA 3.32Å; Q464-R468 PolarHBondContact O-N 3Å; Q464-Y499 HydrophobicContact CB-CD1 4.21Å; Q464-Y499 HydrophobicContact CB-CE1 3.96Å; Q464-Y499 HydrophobicContact CB-CE2 4.47Å; Q464-Y499 HydrophobicContact CG-CE1 4.13Å; Q464-Y499 HydrophobicContact CG-CE2 3.96Å
465K92.2Very high96Very high208 Ų20852.2 Ų52.290%0.90425%0.25SS*.THydrogen-bonded Turntrans-60.5-34.6174-66-174.2179-177.80113P463P463-K465 PolarHBondContact O-N 3.34Å; P463-K465 VanDerWaalsContact O-N 3.14Å
466Q92Very high96Very high94 Ų9450.7 Ų50.744%0.43924%0.241SC..THydrogen-bonded Turntrans-86.1-33.4179-169.9-176.720.700112P463 Q464 V554P463-Q466 WeakPolarHBondContact O-CA 3.42Å; P463-Q466 WeakPolarHBondContact O-CB 3.06Å; P463-Q466 PolarHBondContact O-N 3.01Å; Q464-Q466 VanDerWaalsContact C-N 3.27Å; Q464-Q466 PolarHBondContact O-N 2.82Å; Q466-V554 HydrophobicContact CG-CG2 4.17Å
467C94.6Very high95.9Very high0 Ų053.6 Ų53.60%026%0.257CS..SBendtrans-13182.5-178-166.70000110A462 P463 Q464 L472 Y499 V554A462-C467 HydrophobicContact CB-CB 3.97Å; P463-C467 PolarHBondContact O-N 2.83Å; Q464-C467 CarbonylContact O-C 3.2Å; Q464-C467 PolarHBondContact O-N 3.07Å; C467-L472 VanDerWaalsContact SG-CD2 3.56Å; C467-Y499 WeakPolarHBondContact O-CE1 3.09Å; C467-Y499 VanDerWaalsContact O-CZ 3.31Å; C467-Y499 PolarHBondContact O-OH 2.97Å; C467-V554 HydrophobicContact CB-CG2 3.66Å
468R95.7Very high95.9Very high134 Ų13456.9 Ų56.951%0.50627%0.272SS..  trans-69164-180-58.4-173.9-49.8-151-0.6112.3Q464 D470 L471 L472 Y499Q464-R468 WeakPolarHBondContact O-CA 3.32Å; Q464-R468 PolarHBondContact O-N 3Å; R468-D470 VanDerWaalsContact C-N 3.34Å; R468-D470 WeakPolarHBondContact CB-OD1 3.4Å; R468-D470 IonicContact CZ-OD1 3.77Å; R468-D470 IonicContact CZ-OD2 3.52Å; R468-D470 IonicContact NE-OD1 2.99Å; R468-D470 PolarHBondContact NE-OD1 3.34Å; R468-D470 IonicContact NE-OD2 3.49Å; R468-D470 PolarHBondContact NE-OD2 2.85Å; R468-D470 IonicContact NH2-OD1 3.77Å; R468-D470 IonicContact NH2-OD2 2.77Å; R468-D470 PolarHBondContact NH2-OD2 2.89Å; R468-D470 PolarHBondContact O-N 2.8Å; R468-L471 HydrophobicContact CB-CD1 4.47Å; R468-L471 WeakPolarHBondContact O-CB 3.41Å; R468-L471 PolarHBondContact O-N 2.96Å; R468-L472 PolarHBondContact O-N 2.82Å; R468-Y499 VanDerWaalsContact C-OH 3.26Å
469E94.3Very high95.9Very high125 Ų12556.8 Ų56.858%0.58427%0.272SS*.Hα-helixtrans-65.3-34.3-177-67.4-176.2178.300113.3L471 L472 K473 Y499E469-L471 VanDerWaalsContact C-N 3.27Å; E469-L471 PolarHBondContact O-N 3.18Å; E469-L472 WeakPolarHBondContact O-CB 3.33Å; E469-L472 PolarHBondContact O-N 3.29Å; E469-K473 PolarHBondContact O-N 3.49Å; E469-Y499 HydrophobicContact CG-CE2 3.89Å; E469-Y499 PolarHBondContact N-OH 3Å
470D95.1Very high95.9Very high80 Ų8060.2 Ų60.243%0.42829%0.285SS..Hα-helixtrans-59.9-38.8174.160.8-52.7000111.8R468 K473 S474R468-D470 VanDerWaalsContact C-N 3.34Å; R468-D470 WeakPolarHBondContact CB-OD1 3.4Å; R468-D470 IonicContact CZ-OD1 3.77Å; R468-D470 IonicContact CZ-OD2 3.52Å; R468-D470 IonicContact NE-OD1 2.99Å; R468-D470 PolarHBondContact NE-OD1 3.34Å; R468-D470 IonicContact NE-OD2 3.49Å; R468-D470 PolarHBondContact NE-OD2 2.85Å; R468-D470 IonicContact NH2-OD1 3.77Å; R468-D470 IonicContact NH2-OD2 2.77Å; R468-D470 PolarHBondContact NH2-OD2 2.89Å; R468-D470 PolarHBondContact O-N 2.8Å; D470-K473 PolarHBondContact O-N 2.87Å; D470-S474 WeakPolarHBondContact O-CB 3.48Å; D470-S474 PolarHBondContact O-N 3.18Å
471L96.1Very high95.8Very high38 Ų3867 Ų6720%0.19932%0.315CS..Hα-helixtrans-70-38.6176.5-61.5174.9000111.7R468 E469 F475 V558R468-L471 HydrophobicContact CB-CD1 4.47Å; R468-L471 WeakPolarHBondContact O-CB 3.41Å; R468-L471 PolarHBondContact O-N 2.96Å; E469-L471 VanDerWaalsContact C-N 3.27Å; E469-L471 PolarHBondContact O-N 3.18Å; L471-F475 VanDerWaalsContact O-CB 3.29Å; L471-F475 WeakPolarHBondContact O-CB 3.37Å; L471-F475 PolarHBondContact O-N 2.88Å; L471-V558 HydrophobicContact CD1-CG1 4.43Å; L471-V558 HydrophobicContact CD1-CG2 4.13Å
472L95.9Very high95.8Very high8 Ų868 Ų684%0.04232%0.32CS..Hα-helixtrans-62.8-42.6174.5-67.3179.8000111.9C460 C467 R468 E469 T476 Y499 I526 V557C460-L472 HydrophobicContact CB-CD1 4.35Å; C467-L472 VanDerWaalsContact SG-CD2 3.56Å; R468-L472 PolarHBondContact O-N 2.82Å; E469-L472 WeakPolarHBondContact O-CB 3.33Å; E469-L472 PolarHBondContact O-N 3.29Å; L472-T476 WeakPolarHBondContact O-CB 3.47Å; L472-T476 PolarHBondContact O-N 2.75Å; L472-T476 PolarHBondContact O-OG1 2.82Å; L472-Y499 HydrophobicContact CD1-CE1 4.2Å; L472-Y499 HydrophobicContact CD1-CE2 4.28Å; L472-Y499 WeakPolarHBondContact CD1-OH 3.44Å; L472-I526 HydrophobicContact CD2-CD1 3.09Å; L472-V557 HydrophobicContact CD2-CG1 4.2Å
473K95.8Very high95.8Very high131 Ų13167.9 Ų67.957%0.5732%0.319SS*.Hα-helixtrans-64.5-49.8176.6-172.4175.6-179.3179.70111.2E469 D470 F475 T476 D477E469-K473 PolarHBondContact O-N 3.49Å; D470-K473 PolarHBondContact O-N 2.87Å; K473-F475 PolarHBondContact O-N 2.83Å; K473-T476 WeakPolarHBondContact O-CB 3.37Å; K473-T476 PolarHBondContact O-N 2.65Å; K473-T476 VanDerWaalsContact O-N 3.13Å; K473-D477 PolarHBondContact O-N 3.13Å
474S96.8Very high95.9Very high53 Ų5372 Ų7237%0.37133%0.331SS..Hα-helixtrans-57.4-45.7176.7-178.70000112.3D470 T476 D477 Q478D470-S474 WeakPolarHBondContact O-CB 3.48Å; D470-S474 PolarHBondContact O-N 3.18Å; S474-T476 PolarHBondContact O-N 3.31Å; S474-D477 PolarHBondContact O-N 3.41Å; S474-Q478 WeakPolarHBondContact O-CB 3.12Å; S474-Q478 VanDerWaalsContact O-CG 3.3Å; S474-Q478 WeakPolarHBondContact O-CG 3.46Å; S474-Q478 PolarHBondContact O-N 2.81Å; S474-Q478 PolarHBondContact OG-NE2 3.4Å
475F98Very high95.9Very high2 Ų270.3 Ų70.31%0.00933%0.325CS..Hα-helixtrans-58.7-47174.5166.1-99.4000112.1L471 K473 Q478 L479 V524 V552 V557 T560 L565 L568L471-F475 VanDerWaalsContact O-CB 3.29Å; L471-F475 WeakPolarHBondContact O-CB 3.37Å; L471-F475 PolarHBondContact O-N 2.88Å; K473-F475 PolarHBondContact O-N 2.83Å; F475-Q478 PolarHBondContact O-N 3.35Å; F475-L479 HydrophobicContact CE1-CD2 4.11Å; F475-L479 HydrophobicContact CZ-CD2 3.96Å; F475-L479 WeakPolarHBondContact O-CB 3.37Å; F475-L479 PolarHBondContact O-N 3.42Å; F475-V524 HydrophobicContact CE1-CG1 4.25Å; F475-V552 HydrophobicContact CE2-CG1 4.45Å; F475-V552 HydrophobicContact CZ-CG2 4.32Å; F475-V557 HydrophobicContact CB-CG1 3.71Å; F475-V557 HydrophobicContact CD1-CG1 4.32Å; F475-V557 HydrophobicContact CD2-CB 4.33Å; F475-V557 HydrophobicContact CD2-CG1 4.25Å; F475-V557 HydrophobicContact CD2-CG2 4.18Å; F475-V557 HydrophobicContact CE2-CG2 4.28Å; F475-V557 HydrophobicContact CG-CB 4.4Å; F475-V557 HydrophobicContact CG-CG1 3.84Å; F475-V557 HydrophobicContact CG-CG2 4.37Å; F475-T560 HydrophobicContact CB-CG2 4.36Å; F475-T560 HydrophobicContact CD2-CG2 3.75Å; F475-L565 HydrophobicContact CD2-CD2 4.08Å; F475-L565 HydrophobicContact CE2-CD2 3.64Å; F475-L568 HydrophobicContact CE2-CD2 4.42Å; F475-L568 HydrophobicContact CZ-CD2 4.07Å
476T97.4Very high96.1Very high7 Ų760.7 Ų60.74%0.04329%0.285CS..Hα-helixtrans-61.6-48-180-66.70000111.4W456 L472 K473 S474 Q478 L479 R480W456-T476 HydrophobicContact CH2-CG2 3.45Å; W456-T476 VanDerWaalsContact CH2-CG2 3.45Å; W456-T476 HydrophobicContact CZ2-CG2 3.7Å; L472-T476 WeakPolarHBondContact O-CB 3.47Å; L472-T476 PolarHBondContact O-N 2.75Å; L472-T476 PolarHBondContact O-OG1 2.82Å; K473-T476 WeakPolarHBondContact O-CB 3.37Å; K473-T476 PolarHBondContact O-N 2.65Å; K473-T476 VanDerWaalsContact O-N 3.13Å; S474-T476 PolarHBondContact O-N 3.31Å; T476-Q478 VanDerWaalsContact C-N 3.33Å; T476-Q478 PolarHBondContact O-N 3.34Å; T476-L479 PolarHBondContact O-N 3.31Å; T476-R480 HydrophobicContact CG2-CG 4.3Å; T476-R480 WeakPolarHBondContact O-CB 3.5Å; T476-R480 WeakPolarHBondContact O-CG 3.38Å; T476-R480 PolarHBondContact O-N 2.99Å
477D97.4Very high96.2Very high63 Ų6357.1 Ų57.134%0.33727%0.272SS..Hα-helixtrans-63.8-40-178.9-69.7-27.3000111.5K473 S474 R480 K481 Q493K473-D477 PolarHBondContact O-N 3.13Å; S474-D477 PolarHBondContact O-N 3.41Å; D477-R480 PolarHBondContact O-N 2.89Å; D477-R480 IonicContact OD1-NH1 2.89Å; D477-K481 PolarHBondContact O-N 2.88Å; D477-Q493 PolarHBondContact OD1-NE2 3.42Å
478Q97.7Very high96.3Very high69 Ų6957.1 Ų57.132%0.32227%0.272SS..Hα-helixtrans-67.9-40.8174.7-68.6-176.731.500112.7S474 F475 T476 R480 K481 I482 T560 L565S474-Q478 WeakPolarHBondContact O-CB 3.12Å; S474-Q478 VanDerWaalsContact O-CG 3.3Å; S474-Q478 WeakPolarHBondContact O-CG 3.46Å; S474-Q478 PolarHBondContact O-N 2.81Å; S474-Q478 PolarHBondContact OG-NE2 3.4Å; F475-Q478 PolarHBondContact O-N 3.35Å; T476-Q478 VanDerWaalsContact C-N 3.33Å; T476-Q478 PolarHBondContact O-N 3.34Å; Q478-R480 VanDerWaalsContact C-N 3.35Å; Q478-K481 PolarHBondContact O-N 3.29Å; Q478-I482 WeakPolarHBondContact O-CG1 3.4Å; Q478-I482 PolarHBondContact O-N 3.27Å; Q478-T560 VanDerWaalsContact CD-OG1 3.29Å; Q478-T560 PolarHBondContact NE2-OG1 3.42Å; Q478-T560 PolarHBondContact OE1-OG1 3.03Å; Q478-L565 HydrophobicContact CB-CD1 3.69Å
479L98Very high96.4Very high0 Ų052.9 Ų52.90%026%0.262CS..Hα-helixtrans-63-42.7175.9-179.760.8000111.1F475 T476 I482 S483 I490 L565 L568F475-L479 HydrophobicContact CE1-CD2 4.11Å; F475-L479 HydrophobicContact CZ-CD2 3.96Å; F475-L479 WeakPolarHBondContact O-CB 3.37Å; F475-L479 PolarHBondContact O-N 3.42Å; T476-L479 PolarHBondContact O-N 3.31Å; L479-I482 PolarHBondContact O-N 3Å; L479-S483 WeakPolarHBondContact O-CB 3.47Å; L479-S483 PolarHBondContact O-N 2.55Å; L479-S483 PolarHBondContact O-OG 2.69Å; L479-I490 HydrophobicContact CD2-CD1 4.31Å; L479-I490 HydrophobicContact CG-CD1 4.03Å; L479-L565 HydrophobicContact CB-CD2 4.46Å; L479-L565 HydrophobicContact CD1-CD2 4.27Å; L479-L568 HydrophobicContact CD1-CD2 4.1Å; L479-L568 HydrophobicContact CD2-CD2 4.34Å
480R97.9Very high96.5Very high71 Ų7147.4 Ų47.427%0.26824%0.237SC..Hα-helixtrans-60.3-44.1175.1-72175.267.7-142.82.1111.8T476 D477 Q478 S483 K484 I490 G492T476-R480 HydrophobicContact CG2-CG 4.3Å; T476-R480 WeakPolarHBondContact O-CB 3.5Å; T476-R480 WeakPolarHBondContact O-CG 3.38Å; T476-R480 PolarHBondContact O-N 2.99Å; D477-R480 PolarHBondContact O-N 2.89Å; D477-R480 IonicContact OD1-NH1 2.89Å; Q478-R480 VanDerWaalsContact C-N 3.35Å; R480-S483 WeakPolarHBondContact CA-OG 3.26Å; R480-S483 PolarHBondContact O-OG 2.81Å; R480-K484 WeakPolarHBondContact O-CB 3.45Å; R480-K484 PolarHBondContact O-N 3.32Å; R480-I490 HydrophobicContact CG-CB 3.94Å; R480-I490 HydrophobicContact CG-CG2 3.81Å; R480-I490 PolarHBondContact NE-O 3.14Å; R480-G492 WeakPolarHBondContact CD-O 3.45Å; R480-G492 VanDerWaalsContact CZ-O 3.26Å; R480-G492 PolarHBondContact NE-O 3.35Å
481K96.8Very high96.5Very high144 Ų14447.9 Ų47.963%0.62624%0.237SC*.Hα-helixtrans-58.7-54.8174.9-177.9179.2177.9178.10111.8D477 Q478 S483 K484 D485D477-K481 PolarHBondContact O-N 2.88Å; Q478-K481 PolarHBondContact O-N 3.29Å; K481-S483 VanDerWaalsContact C-N 3.34Å; K481-S483 PolarHBondContact O-N 3.06Å; K481-K484 PolarHBondContact O-N 3.34Å; K481-D485 PolarHBondContact O-N 3.3Å
482I96.8Very high96.3Very high31 Ų3148 Ų4816%0.15925%0.247CC..Hα-helixtrans-65-37.6-177.2-64.3-64.4000112Q478 L479 D485 A486 P562 L565Q478-I482 WeakPolarHBondContact O-CG1 3.4Å; Q478-I482 PolarHBondContact O-N 3.27Å; L479-I482 PolarHBondContact O-N 3Å; I482-D485 PolarHBondContact O-N 2.94Å; I482-A486 WeakPolarHBondContact O-CB 3.47Å; I482-A486 PolarHBondContact O-N 3.46Å; I482-P562 HydrophobicContact CD1-CB 4.13Å; I482-L565 HydrophobicContact CB-CB 4.29Å; I482-L565 HydrophobicContact CG1-CB 4.19Å; I482-L565 HydrophobicContact CG1-CD1 4.23Å; I482-L565 HydrophobicContact CG2-CB 4.17Å
483S96.8Very high96.3Very high0 Ų052.3 Ų52.30%027%0.267CS..Hα-helixtrans-66.5-40.4177.466.20000112.1L479 R480 K481 A486 G487 M488 I490L479-S483 WeakPolarHBondContact O-CB 3.47Å; L479-S483 PolarHBondContact O-N 2.55Å; L479-S483 PolarHBondContact O-OG 2.69Å; R480-S483 WeakPolarHBondContact CA-OG 3.26Å; R480-S483 PolarHBondContact O-OG 2.81Å; K481-S483 VanDerWaalsContact C-N 3.34Å; K481-S483 PolarHBondContact O-N 3.06Å; S483-A486 CarbonylContact O-C 3.57Å; S483-A486 PolarHBondContact O-N 2.87Å; S483-G487 PolarHBondContact O-N 3.11Å; S483-G487 VanDerWaalsContact O-N 3.15Å; S483-M488 CarbonylContact C-O 3.58Å; S483-M488 WeakPolarHBondContact CB-O 3.14Å; S483-M488 CarbonylContact O-C 3.55Å; S483-M488 PolarHBondContact O-N 2.88Å; S483-M488 PolarHBondContact OG-O 3.45Å; S483-I490 WeakPolarHBondContact OG-CD1 3.37Å; S483-I490 WeakPolarHBondContact OG-CG1 3.5Å
484K95.8Very high96.3Very high147 Ų14747.2 Ų47.264%0.63925%0.247SC*.Hα-helixtrans-60.7-45.7171.5-174.6-179.3-179.6-1790111.6R480 K481 A486 G487R480-K484 WeakPolarHBondContact O-CB 3.45Å; R480-K484 PolarHBondContact O-N 3.32Å; K481-K484 PolarHBondContact O-N 3.34Å; K484-A486 PolarHBondContact O-N 2.77Å; K484-G487 PolarHBondContact O-N 3.09Å
485D93.9Very high96.3Very high72 Ų7246.9 Ų46.939%0.38525%0.245SC..Hα-helixtrans-60.9-35.8177.3-70.2-25.2000112Q446 K481 I482 G487Q446-D485 WeakPolarHBondContact CG-O 3.41Å; K481-D485 PolarHBondContact O-N 3.3Å; I482-D485 PolarHBondContact O-N 2.94Å; D485-G487 VanDerWaalsContact C-N 3.29Å; D485-G487 PolarHBondContact O-N 2.76Å
486A94.9Very high96.3Very high6 Ų648 Ų485%0.0525%0.25CC..THydrogen-bonded Turntrans-79.6-1.6175.700000114.3M442 Q446 F447 I482 S483 K484M442-A486 HydrophobicContact CE-CB 4.13Å; Q446-A486 CarbonylContact C-O 3.57Å; Q446-A486 WeakPolarHBondContact CA-O 3.34Å; F447-A486 HydrophobicContact CD2-CB 4.31Å; F447-A486 VanDerWaalsContact CD2-O 3.22Å; F447-A486 WeakPolarHBondContact CD2-O 3.28Å; F447-A486 HydrophobicContact CE2-CB 3.83Å; F447-A486 WeakPolarHBondContact CG-O 3.27Å; F447-A486 HydrophobicContact CZ-CB 4.05Å; F447-A486 PolarHBondContact N-O 3.37Å; I482-A486 WeakPolarHBondContact O-CB 3.47Å; I482-A486 PolarHBondContact O-N 3.46Å; S483-A486 CarbonylContact O-C 3.57Å; S483-A486 PolarHBondContact O-N 2.87Å; K484-A486 PolarHBondContact O-N 2.77Å
487G94.8Very high96.3Very high18 Ų1850.4 Ų50.419%0.18627%0.266CS..THydrogen-bonded Turntrans77.918.5-179.700000114.9G450 S483 K484 D485 P489G450-G487 WeakPolarHBondContact CA-O 3.36Å; S483-G487 PolarHBondContact O-N 3.11Å; S483-G487 VanDerWaalsContact O-N 3.15Å; K484-G487 PolarHBondContact O-N 3.09Å; D485-G487 VanDerWaalsContact C-N 3.29Å; D485-G487 PolarHBondContact O-N 2.76Å; G487-P489 VanDerWaalsContact C-CD 3.47Å; G487-P489 WeakPolarHBondContact O-CD 3.28Å
488M96.6Very high96.3Very high0 Ų053.4 Ų53.40%028%0.276CS..  trans-115.971.7171.9-176.7-166.473.200108.7F447 I451 I453 S483 I490 C569 I572 N573F447-M488 HydrophobicContact CD2-CB 3.78Å; F447-M488 HydrophobicContact CE2-CB 3.74Å; F447-M488 HydrophobicContact CE2-SD 4.33Å; I451-M488 CarbonylContact O-C 3.6Å; I451-M488 WeakPolarHBondContact O-CA 3.48Å; I451-M488 WeakPolarHBondContact O-CG 3.44Å; I453-M488 HydrophobicContact CD1-CE 4Å; I453-M488 HydrophobicContact CD1-CG 4.12Å; I453-M488 HydrophobicContact CD1-SD 3.99Å; I453-M488 HydrophobicContact CG1-CG 4.48Å; S483-M488 CarbonylContact C-O 3.58Å; S483-M488 WeakPolarHBondContact CB-O 3.14Å; S483-M488 CarbonylContact O-C 3.55Å; S483-M488 PolarHBondContact O-N 2.88Å; S483-M488 PolarHBondContact OG-O 3.45Å; M488-I490 HydrophobicContact CE-CD1 4.48Å; M488-I490 PolarHBondContact O-N 3.06Å; M488-C569 HydrophobicContact CE-CB 3.88Å; M488-I572 HydrophobicContact CE-CB 4.07Å; M488-I572 HydrophobicContact CE-CG2 3.87Å; M488-I572 HydrophobicContact SD-CB 4.03Å; M488-I572 HydrophobicContact SD-CG2 3.71Å; M488-N573 HydrophobicContact CG-CB 4.44Å; M488-N573 HydrophobicContact SD-CB 3.62Å; M488-N573 PolarHBondContact SD-N 3.23Å
489P96.7Very high96.2Very high45 Ų4553 Ų5329%0.29227%0.272SS..  trans-65124.8-170.726.6-33.8000111.5E452 I453 G487E452-P489 HydrophobicContact CB-CG 4.34Å; E452-P489 HydrophobicContact CG-CG 4.24Å; I453-P489 PolarHBondContact N-O 2.88Å; G487-P489 VanDerWaalsContact C-CD 3.47Å; G487-P489 WeakPolarHBondContact O-CD 3.28Å
490I97.9Very high96.1Very high11 Ų1153.6 Ų53.66%0.05628%0.277CS..BIsolated β-bridgetrans-91107.9167.3-62.3169.6000108.6I453 W456 L479 R480 S483 M488I453-I490 HydrophobicContact CB-CG1 4.08Å; I453-I490 HydrophobicContact CD1-CD1 4.46Å; I453-I490 HydrophobicContact CD1-CG1 3.87Å; I453-I490 HydrophobicContact CG1-CG1 4.41Å; W456-I490 HydrophobicContact CD2-CG2 4.2Å; W456-I490 VanDerWaalsContact CE2-CG2 3.49Å; W456-I490 HydrophobicContact CG-CG2 4.42Å; W456-I490 HydrophobicContact CZ2-CG2 3.83Å; W456-I490 VanDerWaalsContact NE1-CG2 3.29Å; L479-I490 HydrophobicContact CD2-CD1 4.31Å; L479-I490 HydrophobicContact CG-CD1 4.03Å; R480-I490 HydrophobicContact CG-CB 3.94Å; R480-I490 HydrophobicContact CG-CG2 3.81Å; R480-I490 PolarHBondContact NE-O 3.14Å; S483-I490 WeakPolarHBondContact OG-CD1 3.37Å; S483-I490 WeakPolarHBondContact OG-CG1 3.5Å; M488-I490 HydrophobicContact CE-CD1 4.48Å; M488-I490 PolarHBondContact O-N 3.06Å
491Q93.8Very high95.8Very high89 Ų8957.7 Ų57.742%0.41630%0.299SS..  trans-81141.3179.9-65.4-168.7-16.600111.6E452 I453E452-Q491 HydrophobicContact CG-CG 4.48Å; E452-Q491 PolarHBondContact OE1-NE2 3.24Å; I453-Q491 PolarHBondContact O-N 3.12Å
492G91.9Very high95.5Very high41 Ų4152.8 Ų52.842%0.42329%0.289SS..SBendtrans60.9-172.7176.300000115.2R480R480-G492 WeakPolarHBondContact CD-O 3.45Å; R480-G492 VanDerWaalsContact CZ-O 3.26Å; R480-G492 PolarHBondContact NE-O 3.35Å
493Q95.8Very high95.4Very high98 Ų9852.3 Ų52.346%0.45829%0.291SS..SBendtrans-85.3161.2168.6-71.3-62.2-23.300109.5D477 C495D477-Q493 PolarHBondContact OD1-NE2 3.42Å; Q493-C495 PolarHBondContact O-N 2.77Å
494P97.1Very high95.2Very high24 Ų2458 Ų5816%0.15632%0.321CS..  trans-60.8140.9177.526.6-33.9000110.4W456 V458 F496 C497W456-P494 HydrophobicContact CD2-CB 3.96Å; W456-P494 HydrophobicContact CE3-CB 4.02Å; W456-P494 HydrophobicContact CH2-CB 3.91Å; W456-P494 HydrophobicContact CH2-CG 3.99Å; W456-P494 HydrophobicContact CZ2-CB 3.85Å; W456-P494 VanDerWaalsContact CZ2-CD 3.47Å; W456-P494 HydrophobicContact CZ2-CG 4.07Å; W456-P494 HydrophobicContact CZ3-CB 4.01Å; W456-P494 HydrophobicContact CZ3-CG 4.45Å; W456-P494 CarbonylContact O-C 3.52Å; W456-P494 VanDerWaalsContact O-CA 3.23Å; W456-P494 WeakPolarHBondContact O-CA 3.25Å; W456-P494 WeakPolarHBondContact O-CB 3.41Å; V458-P494 HydrophobicContact CG2-CB 4.02Å; V458-P494 HydrophobicContact CG2-CG 4.06Å; P494-F496 PolarHBondContact O-N 2.88Å; P494-C497 HydrophobicContact CG-CB 4.27Å
495C97.2Very high95.3Very high47 Ų4752.5 Ų52.532%0.31830%0.301SS..SBendtrans-68.5-18.9179.166.90000112.5V455 W456 Q493 Y517V455-C495 HydrophobicContact CG1-CB 4.41Å; W456-C495 PolarHBondContact O-N 2.9Å; W456-C495 PolarHBondContact O-SG 2.73Å; Q493-C495 PolarHBondContact O-N 2.77Å; C495-Y517 HydrophobicContact CB-CD1 3.67Å; C495-Y517 HydrophobicContact CB-CE1 3.76Å; C495-Y517 WeakPolarHBondContact O-CE1 3.28Å; C495-Y517 PolarHBondContact O-OH 2.8Å; C495-Y517 WeakPolarHBondContact SG-CD1 3.16Å
496F97.5Very high95.4Very high26 Ų2649.1 Ų49.111%0.11428%0.283CS..EExtended strand (participates in β ladder)trans-146.5133.2176.7178.7-87.2000110A457 V458 P494 K498 M509 L513 Y517A457-F496 CarbonylContact C-O 3.33Å; A457-F496 WeakPolarHBondContact CA-O 3.38Å; A457-F496 HydrophobicContact CB-CB 3.99Å; A457-F496 HydrophobicContact CB-CD1 4.45Å; V458-F496 PolarHBondContact N-O 2.9Å; P494-F496 PolarHBondContact O-N 2.88Å; F496-K498 HydrophobicContact CD1-CB 4.46Å; F496-K498 HydrophobicContact CD1-CG 4.41Å; F496-K498 HydrophobicContact CD2-CG 4.29Å; F496-K498 HydrophobicContact CE1-CB 3.59Å; F496-K498 HydrophobicContact CE1-CG 3.76Å; F496-K498 HydrophobicContact CE2-CB 4.32Å; F496-K498 HydrophobicContact CE2-CG 3.61Å; F496-K498 HydrophobicContact CZ-CB 3.52Å; F496-K498 HydrophobicContact CZ-CG 3.32Å; F496-M509 HydrophobicContact CE1-CE 4.31Å; F496-M509 HydrophobicContact CE1-CG 4.31Å; F496-M509 HydrophobicContact CE1-SD 4.02Å; F496-M509 HydrophobicContact CZ-CE 4.29Å; F496-M509 HydrophobicContact CZ-CG 4.37Å; F496-M509 HydrophobicContact CZ-SD 4.43Å; F496-L513 HydrophobicContact CB-CD2 3.65Å; F496-L513 HydrophobicContact CD1-CD1 4.49Å; F496-L513 HydrophobicContact CD1-CD2 3.68Å; F496-L513 HydrophobicContact CD2-CD2 4Å; F496-L513 HydrophobicContact CE1-CD2 4.23Å; F496-L513 HydrophobicContact CG-CD2 3.52Å; F496-Y517 HydrophobicContact CB-CE2 4.07Å; F496-Y517 HydrophobicContact CD2-CE2 4.23Å
497C96.9Very high95.5Very high57 Ų5750.8 Ų50.839%0.38529%0.29SS..EExtended strand (participates in β ladder)trans-142.7107.1173.6-1710000109.4V458 P494V458-C497 HydrophobicContact CB-CB 4.34Å; V458-C497 WeakPolarHBondContact O-CA 3.32Å; P494-C497 HydrophobicContact CG-CB 4.27Å
498K96.6Very high95.7Very high126 Ų12653.8 Ų53.855%0.54831%0.306SS..EExtended strand (participates in β ladder)trans-141.2155.7-179.1-67.4-67.6-177.7179.10112.9V458 C460 F496V458-K498 PolarHBondContact O-N 2.84Å; C460-K498 PolarHBondContact N-O 2.83Å; F496-K498 HydrophobicContact CD1-CB 4.46Å; F496-K498 HydrophobicContact CD1-CG 4.41Å; F496-K498 HydrophobicContact CD2-CG 4.29Å; F496-K498 HydrophobicContact CE1-CB 3.59Å; F496-K498 HydrophobicContact CE1-CG 3.76Å; F496-K498 HydrophobicContact CE2-CB 4.32Å; F496-K498 HydrophobicContact CE2-CG 3.61Å; F496-K498 HydrophobicContact CZ-CB 3.52Å; F496-K498 HydrophobicContact CZ-CG 3.32Å
499Y96.9Very high95.8Very high60 Ų6055.1 Ų55.124%0.23531%0.313CS..EExtended strand (participates in β ladder)trans-85.3147.9169.6-65.5-87.1000111.3C460 Q464 C467 R468 E469 L472C460-Y499 HydrophobicContact CB-CD1 3.74Å; C460-Y499 HydrophobicContact CB-CE1 3.96Å; C460-Y499 HydrophobicContact CB-CG 4.43Å; C460-Y499 CarbonylContact O-C 3.59Å; C460-Y499 VanDerWaalsContact O-CA 3.24Å; C460-Y499 WeakPolarHBondContact O-CA 3.39Å; Q464-Y499 HydrophobicContact CB-CD1 4.21Å; Q464-Y499 HydrophobicContact CB-CE1 3.96Å; Q464-Y499 HydrophobicContact CB-CE2 4.47Å; Q464-Y499 HydrophobicContact CG-CE1 4.13Å; Q464-Y499 HydrophobicContact CG-CE2 3.96Å; C467-Y499 WeakPolarHBondContact O-CE1 3.09Å; C467-Y499 VanDerWaalsContact O-CZ 3.31Å; C467-Y499 PolarHBondContact O-OH 2.97Å; R468-Y499 VanDerWaalsContact C-OH 3.26Å; E469-Y499 HydrophobicContact CG-CE2 3.89Å; E469-Y499 PolarHBondContact N-OH 3Å; L472-Y499 HydrophobicContact CD1-CE1 4.2Å; L472-Y499 HydrophobicContact CD1-CE2 4.28Å; L472-Y499 WeakPolarHBondContact CD1-OH 3.44Å
500A95.8Very high95.8Very high13 Ų1353 Ų5311%0.10730%0.299CS..  trans-146.4165.5172.800000110.9C460 F461 M509C460-A500 PolarHBondContact O-N 3.45Å; F461-A500 WeakPolarHBondContact CA-O 3.43Å; F461-A500 HydrophobicContact CD1-CB 3.99Å; F461-A500 HydrophobicContact CE1-CB 3.7Å; F461-A500 HydrophobicContact CE2-CB 4.47Å; F461-A500 HydrophobicContact CZ-CB 3.94Å; A500-M509 HydrophobicContact CB-CE 3.58Å
501Q92.1Very high95.8Very high156 Ų15656.8 Ų56.873%0.72932%0.315SS*.  trans-138.4149.9177.5-63.9-171.34.700110.7S505Q501-S505 WeakPolarHBondContact O-CB 3.22Å; Q501-S505 PolarHBondContact O-OG 3.01Å
502G90.7Very high96Very high41 Ų4156.8 Ų56.842%0.42331%0.314SS..SBendtrans73.6163.9179.400000114.1F461 D504 S505F461-G502 WeakPolarHBondContact CE1-O 3.4Å; G502-D504 VanDerWaalsContact C-N 3.34Å; G502-S505 PolarHBondContact O-OG 3.29Å; G502-S505 VanDerWaalsContact O-OG 3.1Å
503A93.3Very high96.3Very high22 Ų2254.8 Ų54.818%0.18229%0.294CS..SBendtrans-72.8-30.9175.900000111.6S505 V506 V533 E536A503-S505 PolarHBondContact O-N 3.33Å; A503-V506 VanDerWaalsContact O-CB 3.31Å; A503-V506 WeakPolarHBondContact O-CB 3.36Å; A503-V506 VanDerWaalsContact O-CG2 3.26Å; A503-V506 WeakPolarHBondContact O-CG2 3.43Å; A503-V506 PolarHBondContact O-N 3.29Å; A503-V506 VanDerWaalsContact O-N 3.08Å; A503-V533 HydrophobicContact CB-CG2 4.46Å; A503-E536 HydrophobicContact CB-CB 4.05Å; A503-E536 HydrophobicContact CB-CG 4.22Å; A503-E536 WeakPolarHBondContact O-CG 3.12Å
504D93.9Very high96.3Very high118 Ų11854.3 Ų54.363%0.63129%0.29SS*.THydrogen-bonded Turntrans-67.4-21-174.2-56.7-46.9000113.9G502 V506 P508G502-D504 VanDerWaalsContact C-N 3.34Å; D504-V506 VanDerWaalsContact C-N 3.34Å; D504-P508 WeakPolarHBondContact O-CD 3.29Å
505S96.3Very high96.3Very high33 Ų3360.8 Ų60.823%0.23132%0.321CS..THydrogen-bonded Turntrans-80.3-12.1176.159.40000114F461 Q501 G502 A503 M509F461-S505 WeakPolarHBondContact CE1-OG 3.24Å; Q501-S505 WeakPolarHBondContact O-CB 3.22Å; Q501-S505 PolarHBondContact O-OG 3.01Å; G502-S505 PolarHBondContact O-OG 3.29Å; G502-S505 VanDerWaalsContact O-OG 3.1Å; A503-S505 PolarHBondContact O-N 3.33Å; S505-M509 WeakPolarHBondContact O-CB 3.22Å; S505-M509 PolarHBondContact O-N 3.2Å
506V97.4Very high96.3Very high0 Ų061.5 Ų61.50%033%0.326CS..Hα-helixtrans-65.1-53-177.9176.20000111.5F461 A503 D504 M509 F510 V533 E536 V537 V540F461-V506 HydrophobicContact CE1-CG2 3.67Å; F461-V506 HydrophobicContact CE2-CG2 4.48Å; F461-V506 HydrophobicContact CZ-CB 4.39Å; F461-V506 HydrophobicContact CZ-CG2 3.55Å; A503-V506 VanDerWaalsContact O-CB 3.31Å; A503-V506 WeakPolarHBondContact O-CB 3.36Å; A503-V506 VanDerWaalsContact O-CG2 3.26Å; A503-V506 WeakPolarHBondContact O-CG2 3.43Å; A503-V506 PolarHBondContact O-N 3.29Å; A503-V506 VanDerWaalsContact O-N 3.08Å; D504-V506 VanDerWaalsContact C-N 3.34Å; V506-M509 PolarHBondContact O-N 3.17Å; V506-F510 HydrophobicContact CG1-CD1 4.46Å; V506-F510 HydrophobicContact CG1-CD2 4.47Å; V506-F510 HydrophobicContact CG1-CE1 4.34Å; V506-F510 HydrophobicContact CG1-CE2 4.31Å; V506-F510 HydrophobicContact CG1-CZ 4.27Å; V506-F510 WeakPolarHBondContact O-CB 3.37Å; V506-F510 WeakPolarHBondContact O-CD1 3.29Å; V506-F510 PolarHBondContact O-N 2.79Å; V506-V533 HydrophobicContact CG2-CG1 3.95Å; V506-E536 HydrophobicContact CB-CG 3.85Å; V506-E536 HydrophobicContact CG1-CG 4.15Å; V506-E536 HydrophobicContact CG2-CB 4.41Å; V506-E536 HydrophobicContact CG2-CG 4.07Å; V506-V537 HydrophobicContact CG1-CB 4.44Å; V506-V537 HydrophobicContact CG1-CG2 3.86Å; V506-V537 HydrophobicContact CG2-CG2 3.94Å; V506-V540 HydrophobicContact CG1-CB 4.08Å; V506-V540 HydrophobicContact CG1-CG1 4.44Å; V506-V540 HydrophobicContact CG1-CG2 4Å
507E97.3Very high96.3Very high42 Ų4263.4 Ų63.420%0.19633%0.333CS..Hα-helixtrans-64.8-48.7-175-176.6176.3149.100112.8M509 F510 K511 R539 V540 L544E507-M509 VanDerWaalsContact C-N 3.34Å; E507-M509 PolarHBondContact O-N 2.95Å; E507-F510 PolarHBondContact O-N 2.97Å; E507-K511 HydrophobicContact CG-CD 4.33Å; E507-K511 WeakPolarHBondContact O-CG 3.22Å; E507-K511 PolarHBondContact O-N 3.24Å; E507-K511 WeakPolarHBondContact OE1-CE 3.39Å; E507-K511 IonicContact OE1-NZ 2.66Å; E507-K511 PolarHBondContact OE1-NZ 2.85Å; E507-R539 IonicContact OE2-CZ 2.57Å; E507-R539 IonicContact OE2-NH2 3.12Å; E507-R539 PolarHBondContact OE2-NH2 3.41Å; E507-V540 HydrophobicContact CB-CG1 4.37Å; E507-V540 HydrophobicContact CB-CG2 3.83Å; E507-V540 HydrophobicContact CG-CG1 4.45Å; E507-V540 HydrophobicContact CG-CG2 4.33Å; E507-L544 VanDerWaalsContact CD-CD2 3.42Å; E507-L544 HydrophobicContact CG-CD2 3.84Å
508P97.9Very high96.2Very high81 Ų8167.2 Ų67.253%0.52636%0.355SS..Hα-helixtrans-59-44176.1-2434.7000112.6D504 F510 K511 H512D504-P508 WeakPolarHBondContact O-CD 3.29Å; P508-F510 PolarHBondContact O-N 2.88Å; P508-K511 PolarHBondContact O-N 2.82Å; P508-H512 WeakPolarHBondContact O-CB 3.43Å; P508-H512 PolarHBondContact O-N 3.46Å
509M98Very high96.1Very high28 Ų2863.8 Ų63.814%0.13836%0.355CS..Hα-helixtrans-63.1-44.2178.9-180178.1-71.500111.7A459 F496 A500 S505 V506 E507 H512 L513A459-M509 HydrophobicContact CB-SD 3.64Å; F496-M509 HydrophobicContact CE1-CE 4.31Å; F496-M509 HydrophobicContact CE1-CG 4.31Å; F496-M509 HydrophobicContact CE1-SD 4.02Å; F496-M509 HydrophobicContact CZ-CE 4.29Å; F496-M509 HydrophobicContact CZ-CG 4.37Å; F496-M509 HydrophobicContact CZ-SD 4.43Å; A500-M509 HydrophobicContact CB-CE 3.58Å; S505-M509 WeakPolarHBondContact O-CB 3.22Å; S505-M509 PolarHBondContact O-N 3.2Å; V506-M509 PolarHBondContact O-N 3.17Å; E507-M509 VanDerWaalsContact C-N 3.34Å; E507-M509 PolarHBondContact O-N 2.95Å; M509-H512 PolarHBondContact O-N 2.98Å; M509-L513 HydrophobicContact CG-CD1 4.12Å; M509-L513 HydrophobicContact CG-CG 4.47Å; M509-L513 WeakPolarHBondContact O-CB 3.48Å; M509-L513 VanDerWaalsContact O-CG 3.32Å; M509-L513 WeakPolarHBondContact O-CG 3.45Å; M509-L513 PolarHBondContact O-N 3.2Å
510F98.3Very high96.1Very high0 Ų062.5 Ų62.50%035%0.352CS..Hα-helixtrans-70.9-36-178.5-78.123.2000112.2V506 E507 P508 L513 K514 I523 V525 V537 V540 L545 M547 T549V506-F510 HydrophobicContact CG1-CD1 4.46Å; V506-F510 HydrophobicContact CG1-CD2 4.47Å; V506-F510 HydrophobicContact CG1-CE1 4.34Å; V506-F510 HydrophobicContact CG1-CE2 4.31Å; V506-F510 HydrophobicContact CG1-CZ 4.27Å; V506-F510 WeakPolarHBondContact O-CB 3.37Å; V506-F510 WeakPolarHBondContact O-CD1 3.29Å; V506-F510 PolarHBondContact O-N 2.79Å; E507-F510 PolarHBondContact O-N 2.97Å; P508-F510 PolarHBondContact O-N 2.88Å; F510-L513 HydrophobicContact CD1-CD1 4.33Å; F510-L513 PolarHBondContact O-N 2.75Å; F510-K514 WeakPolarHBondContact O-CB 3.48Å; F510-K514 PolarHBondContact O-N 3.15Å; F510-I523 HydrophobicContact CD1-CD1 3.88Å; F510-I523 HydrophobicContact CD2-CD1 4.06Å; F510-I523 HydrophobicContact CE1-CD1 3.89Å; F510-I523 HydrophobicContact CE1-CG2 4.06Å; F510-I523 HydrophobicContact CE2-CD1 4.11Å; F510-I523 HydrophobicContact CG-CD1 3.96Å; F510-I523 HydrophobicContact CZ-CD1 4.01Å; F510-I523 HydrophobicContact CZ-CG2 4.23Å; F510-V525 HydrophobicContact CE1-CG2 4.5Å; F510-V525 HydrophobicContact CZ-CG2 4.02Å; F510-V537 HydrophobicContact CE2-CG1 4.32Å; F510-V537 HydrophobicContact CZ-CG1 4.08Å; F510-V537 HydrophobicContact CZ-CG2 4.41Å; F510-V540 HydrophobicContact CB-CG1 3.85Å; F510-V540 HydrophobicContact CD2-CB 4.29Å; F510-V540 HydrophobicContact CD2-CG1 3.64Å; F510-V540 HydrophobicContact CG-CG1 4.06Å; F510-L545 HydrophobicContact CB-CD1 3.54Å; F510-M547 HydrophobicContact CB-SD 4.21Å; F510-T549 HydrophobicContact CE2-CG2 3.55Å; F510-T549 HydrophobicContact CZ-CG2 3.89Å
511K97.9Very high96.2Very high90 Ų9064.6 Ų64.639%0.39136%0.359SS..Hα-helixtrans-59.4-48171.4-76-179-176.7169.70110.9E507 P508 L513 K514 M515 L545E507-K511 HydrophobicContact CG-CD 4.33Å; E507-K511 WeakPolarHBondContact O-CG 3.22Å; E507-K511 PolarHBondContact O-N 3.24Å; E507-K511 WeakPolarHBondContact OE1-CE 3.39Å; E507-K511 IonicContact OE1-NZ 2.66Å; E507-K511 PolarHBondContact OE1-NZ 2.85Å; P508-K511 PolarHBondContact O-N 2.82Å; K511-L513 PolarHBondContact O-N 3.37Å; K511-K514 PolarHBondContact O-N 2.98Å; K511-M515 WeakPolarHBondContact O-CG 3.37Å; K511-M515 PolarHBondContact O-N 3.05Å; K511-L545 HydrophobicContact CG-CD1 3.97Å; K511-L545 HydrophobicContact CG-CD2 4.05Å
512H97.8Very high96.5Very high89 Ų8957.2 Ų57.241%0.41233%0.325SS..Hα-helixtrans-57.4-48.6175.1175.968.8000111.5P508 M509 K514 M515 S516P508-H512 WeakPolarHBondContact O-CB 3.43Å; P508-H512 PolarHBondContact O-N 3.46Å; M509-H512 PolarHBondContact O-N 2.98Å; H512-K514 PolarHBondContact O-N 3.17Å; H512-M515 PolarHBondContact O-N 3.45Å; H512-S516 PolarHBondContact CE1-OG 3.5Å; H512-S516 PolarHBondContact ND1-OG 2.91Å; H512-S516 VanDerWaalsContact O-CB 3.29Å; H512-S516 WeakPolarHBondContact O-CB 3.38Å; H512-S516 PolarHBondContact O-N 2.94Å; H512-S516 PolarHBondContact O-OG 3.44Å
513L97.8Very high96.9Very high0 Ų055.3 Ų55.30%031%0.305CS..Hα-helixtrans-58.4-43.6177.9-75.4173.3000112.9A457 F496 M509 F510 K511 M515 Y517 L520 I523 M547A457-L513 HydrophobicContact CB-CD1 4.26Å; A457-L513 HydrophobicContact CB-CD2 3.94Å; F496-L513 HydrophobicContact CB-CD2 3.65Å; F496-L513 HydrophobicContact CD1-CD1 4.49Å; F496-L513 HydrophobicContact CD1-CD2 3.68Å; F496-L513 HydrophobicContact CD2-CD2 4Å; F496-L513 HydrophobicContact CE1-CD2 4.23Å; F496-L513 HydrophobicContact CG-CD2 3.52Å; M509-L513 HydrophobicContact CG-CD1 4.12Å; M509-L513 HydrophobicContact CG-CG 4.47Å; M509-L513 WeakPolarHBondContact O-CB 3.48Å; M509-L513 VanDerWaalsContact O-CG 3.32Å; M509-L513 WeakPolarHBondContact O-CG 3.45Å; M509-L513 PolarHBondContact O-N 3.2Å; F510-L513 HydrophobicContact CD1-CD1 4.33Å; F510-L513 PolarHBondContact O-N 2.75Å; K511-L513 PolarHBondContact O-N 3.37Å; L513-M515 VanDerWaalsContact C-N 3.34Å; L513-M515 PolarHBondContact O-N 3.41Å; L513-Y517 HydrophobicContact CD2-CD2 3.84Å; L513-Y517 HydrophobicContact CD2-CE2 3.8Å; L513-Y517 PolarHBondContact O-N 3.4Å; L513-L520 HydrophobicContact CB-CD2 3.83Å; L513-I523 HydrophobicContact CD1-CD1 3.69Å; L513-I523 HydrophobicContact CD1-CG1 4.16Å; L513-I523 HydrophobicContact CD1-CG2 4.37Å; L513-M547 HydrophobicContact CB-CE 4.33Å
514K96.6Very high97.2Very high87 Ų8754.3 Ų54.338%0.37830%0.297SS..Hα-helixtrans-65.1-37.3179-170.1170.8-178.8173.90112.3F510 K511 H512 L545 M547 D866F510-K514 WeakPolarHBondContact O-CB 3.48Å; F510-K514 PolarHBondContact O-N 3.15Å; K511-K514 PolarHBondContact O-N 2.98Å; H512-K514 PolarHBondContact O-N 3.17Å; K514-L545 HydrophobicContact CD-CB 4.35Å; K514-L545 PolarHBondContact NZ-O 2.95Å; K514-M547 HydrophobicContact CB-CE 3.89Å; K514-M547 HydrophobicContact CB-SD 3.87Å; K514-M547 HydrophobicContact CD-CG 4.41Å; K514-M547 HydrophobicContact CD-SD 4.32Å; K514-M547 HydrophobicContact CG-SD 4.4Å; K514-D866 IonicContact NZ-OD2 3.48Å
515M96.6Very high97.4Very high160 Ų16048.7 Ų48.779%0.78827%0.267SS*.Hα-helixtrans-81.4-36.2-178.3-67.6177.469.400113.1K511 H512 L513K511-M515 WeakPolarHBondContact O-CG 3.37Å; K511-M515 PolarHBondContact O-N 3.05Å; H512-M515 PolarHBondContact O-N 3.45Å; L513-M515 VanDerWaalsContact C-N 3.34Å; L513-M515 PolarHBondContact O-N 3.41Å
516S97.4Very high97.5Very high62 Ų6247.1 Ų47.143%0.43426%0.256SS..Hα-helixtrans-87.8-24.8-172.5-630000114.3H512H512-S516 PolarHBondContact CE1-OG 3.5Å; H512-S516 PolarHBondContact ND1-OG 2.91Å; H512-S516 VanDerWaalsContact O-CB 3.29Å; H512-S516 WeakPolarHBondContact O-CB 3.38Å; H512-S516 PolarHBondContact O-N 2.94Å; H512-S516 PolarHBondContact O-OG 3.44Å
517Y96.8Very high97.5Very high66 Ų6647.5 Ų47.526%0.25926%0.258SS..SBendtrans-120.692.9-175.4-58.2-85.1000110.8C495 F496 L513 G519 L520C495-Y517 HydrophobicContact CB-CD1 3.67Å; C495-Y517 HydrophobicContact CB-CE1 3.76Å; C495-Y517 WeakPolarHBondContact O-CE1 3.28Å; C495-Y517 PolarHBondContact O-OH 2.8Å; C495-Y517 WeakPolarHBondContact SG-CD1 3.16Å; F496-Y517 HydrophobicContact CB-CE2 4.07Å; F496-Y517 HydrophobicContact CD2-CE2 4.23Å; L513-Y517 HydrophobicContact CD2-CD2 3.84Å; L513-Y517 HydrophobicContact CD2-CE2 3.8Å; L513-Y517 PolarHBondContact O-N 3.4Å; Y517-G519 PolarHBondContact O-N 2.84Å; Y517-L520 WeakPolarHBondContact O-CB 3.46Å; Y517-L520 PolarHBondContact O-N 3.48Å
518V94.6Very high97.4Very high138 Ų13848 Ų4884%0.83626%0.264SS*.THydrogen-bonded Turntrans-59.3132.4175.9-1790000109.8L520V518-L520 VanDerWaalsContact C-N 3.34Å; V518-L520 PolarHBondContact O-N 3.28Å
519G94Very high97.1Very high54 Ų5445.3 Ų45.356%0.55725%0.251SS*.THydrogen-bonded Turntrans75.516.4179.500000114.9Y517 Q521Y517-G519 PolarHBondContact O-N 2.84Å; G519-Q521 WeakPolarHBondContact O-CG 3.35Å; G519-Q521 PolarHBondContact O-N 3.26Å
520L97.8Very high96.6Very high33 Ų3352.2 Ų52.217%0.17328%0.281CS..  trans-55.3118175178.162.1000111.8V455 A457 L513 Y517 V518 I523 M547V455-L520 HydrophobicContact CG1-CB 4.3Å; V455-L520 HydrophobicContact CG1-CD1 4.16Å; A457-L520 HydrophobicContact CB-CD1 4.17Å; L513-L520 HydrophobicContact CB-CD2 3.83Å; Y517-L520 WeakPolarHBondContact O-CB 3.46Å; Y517-L520 PolarHBondContact O-N 3.48Å; V518-L520 VanDerWaalsContact C-N 3.34Å; V518-L520 PolarHBondContact O-N 3.28Å; L520-I523 HydrophobicContact CD2-CD1 4.42Å; L520-I523 HydrophobicContact CD2-CG1 4.16Å; L520-M547 HydrophobicContact CD2-CE 3.44Å; L520-M547 VanDerWaalsContact CD2-CE 3.44Å; L520-M547 HydrophobicContact CG-CE 4.36Å
521Q98.3Very high96.2Very high56 Ų5653.8 Ų53.826%0.26229%0.29SS..  trans-94.1-35.8-175.3-65169.8-84.500112.9E452 V455 G519 A548 L576E452-Q521 PolarHBondContact O-NE2 3.33Å; V455-Q521 WeakPolarHBondContact O-CB 3.2Å; V455-Q521 PolarHBondContact O-N 3.35Å; G519-Q521 WeakPolarHBondContact O-CG 3.35Å; G519-Q521 PolarHBondContact O-N 3.26Å; Q521-A548 WeakPolarHBondContact O-CB 3.17Å; Q521-L576 HydrophobicContact CB-CD2 4.39Å; Q521-L576 WeakPolarHBondContact O-CD2 3.42Å
522L98.6Very high95.8Very high2 Ų253.6 Ų53.61%0.0130%0.298CS..EExtended strand (participates in β ladder)trans-149139-170.4-17969.6000112.6W456 A457 V524 A548 Q550 I572W456-L522 CarbonylContact C-O 3.58Å; W456-L522 VanDerWaalsContact CA-O 3.28Å; W456-L522 WeakPolarHBondContact CA-O 3.24Å; W456-L522 HydrophobicContact CB-CB 4.24Å; A457-L522 PolarHBondContact N-O 3.35Å; L522-V524 HydrophobicContact CD2-CG2 3.85Å; L522-V524 HydrophobicContact CG-CG2 4.25Å; L522-A548 HydrophobicContact CD1-CB 4.44Å; L522-Q550 HydrophobicContact CD1-CB 4.05Å; L522-I572 HydrophobicContact CD2-CD1 4.15Å; L522-I572 HydrophobicContact CD2-CG1 4.21Å; L522-I572 HydrophobicContact CD2-CG2 3.72Å
523I98.8Very high95.7Very high1 Ų149.7 Ų49.71%0.00528%0.281CS..EExtended strand (participates in β ladder)trans-111.6117.6163.4-51.1172.6000109.6A457 A459 F510 L513 L520 V525 M547 A548 T549 Q550A457-I523 WeakPolarHBondContact O-CA 3.29Å; A459-I523 HydrophobicContact CB-CG2 4.24Å; F510-I523 HydrophobicContact CD1-CD1 3.88Å; F510-I523 HydrophobicContact CD2-CD1 4.06Å; F510-I523 HydrophobicContact CE1-CD1 3.89Å; F510-I523 HydrophobicContact CE1-CG2 4.06Å; F510-I523 HydrophobicContact CE2-CD1 4.11Å; F510-I523 HydrophobicContact CG-CD1 3.96Å; F510-I523 HydrophobicContact CZ-CD1 4.01Å; F510-I523 HydrophobicContact CZ-CG2 4.23Å; L513-I523 HydrophobicContact CD1-CD1 3.69Å; L513-I523 HydrophobicContact CD1-CG1 4.16Å; L513-I523 HydrophobicContact CD1-CG2 4.37Å; L520-I523 HydrophobicContact CD2-CD1 4.42Å; L520-I523 HydrophobicContact CD2-CG1 4.16Å; I523-V525 HydrophobicContact CG2-CG2 3.85Å; I523-M547 HydrophobicContact CD1-CE 3.6Å; I523-M547 HydrophobicContact CD1-SD 4.21Å; I523-M547 HydrophobicContact CG1-CE 4.36Å; I523-A548 PolarHBondContact N-O 2.91Å; I523-T549 HydrophobicContact CB-CG2 4.4Å; I523-T549 WeakPolarHBondContact O-CA 3.36Å; I523-Q550 PolarHBondContact O-N 3.49Å
524V98.7Very high95.6Very high1 Ų152.8 Ų52.81%0.00629%0.293CS..EExtended strand (participates in β ladder)trans-86.8120.6169.4-179.70000108.7W456 A457 V458 A459 F475 L522 Q550 V552W456-V524 HydrophobicContact CE3-CG2 4.13Å; W456-V524 HydrophobicContact CZ3-CG2 4.17Å; A457-V524 PolarHBondContact O-N 3.21Å; V458-V524 CarbonylContact C-O 3.52Å; V458-V524 WeakPolarHBondContact CA-O 3.48Å; V458-V524 HydrophobicContact CG2-CB 4.4Å; A459-V524 PolarHBondContact N-O 2.61Å; F475-V524 HydrophobicContact CE1-CG1 4.25Å; L522-V524 HydrophobicContact CD2-CG2 3.85Å; L522-V524 HydrophobicContact CG-CG2 4.25Å; V524-Q550 WeakPolarHBondContact CA-O 3.46Å; V524-V552 HydrophobicContact CG1-CG2 4.26Å
525V98.7Very high95.5Very high0 Ų049.1 Ų49.10%028%0.279CS..EExtended strand (participates in β ladder)trans-113.2120.9-175-173.40000110.6A459 F461 F510 I523 L527 V537 Q550 C551 V552A459-V525 CarbonylContact O-C 3.46Å; A459-V525 WeakPolarHBondContact O-CA 3.43Å; F461-V525 HydrophobicContact CD2-CG1 3.66Å; F461-V525 HydrophobicContact CE2-CG1 3.85Å; F510-V525 HydrophobicContact CE1-CG2 4.5Å; F510-V525 HydrophobicContact CZ-CG2 4.02Å; I523-V525 HydrophobicContact CG2-CG2 3.85Å; V525-L527 HydrophobicContact CG1-CD2 3.88Å; V525-L527 HydrophobicContact CG1-CG 4.42Å; V525-V537 HydrophobicContact CG1-CG2 4.03Å; V525-V537 HydrophobicContact CG2-CG1 4.01Å; V525-Q550 PolarHBondContact N-O 3.43Å; V525-C551 CarbonylContact O-C 3.37Å; V525-C551 WeakPolarHBondContact O-CA 3.34Å; V525-V552 PolarHBondContact O-N 2.97Å
526I98.6Very high95.5Very high0 Ų042.1 Ų42.10%024%0.244CC..EExtended strand (participates in β ladder)trans-98.8127-178.3-58.8168.1000109.4V458 A459 C460 F461 A462 L472 V552 V554 V557V458-I526 HydrophobicContact CG1-CD1 3.99Å; A459-I526 PolarHBondContact O-N 3.34Å; C460-I526 HydrophobicContact CB-CB 4.41Å; F461-I526 WeakPolarHBondContact CA-O 3.41Å; F461-I526 WeakPolarHBondContact CB-O 3.45Å; F461-I526 PolarHBondContact N-O 3.28Å; A462-I526 HydrophobicContact CB-CG2 4.29Å; L472-I526 HydrophobicContact CD2-CD1 3.09Å; I526-V552 WeakPolarHBondContact CA-O 3.37Å; I526-V554 HydrophobicContact CG2-CB 4.27Å; I526-V557 HydrophobicContact CD1-CG1 4.19Å; I526-V557 HydrophobicContact CD1-CG2 4.05Å; I526-V557 HydrophobicContact CG1-CG2 4.01Å; I526-V557 HydrophobicContact CG2-CG2 3.92Å
527L97.5Very high95.6Very high7 Ų739.1 Ų39.14%0.03722%0.224CC..EExtended strand (participates in β ladder)trans-119.1142.6-173.3-59.2178.5000111.9F461 V525 G529 T531 V533 Y534 C551 V552 V554F461-L527 HydrophobicContact CB-CD2 4.21Å; V525-L527 HydrophobicContact CG1-CD2 3.88Å; V525-L527 HydrophobicContact CG1-CG 4.42Å; L527-G529 PolarHBondContact O-N 3.34Å; L527-G529 VanDerWaalsContact O-N 3.16Å; L527-T531 HydrophobicContact CB-CG2 4.2Å; L527-T531 HydrophobicContact CD1-CG2 4.39Å; L527-T531 HydrophobicContact CD2-CG2 4.19Å; L527-V533 HydrophobicContact CD2-CB 4.16Å; L527-V533 HydrophobicContact CD2-CG1 3.68Å; L527-Y534 HydrophobicContact CD1-CD2 3.89Å; L527-Y534 HydrophobicContact CD1-CG 4.41Å; L527-C551 HydrophobicContact CD1-CB 3.95Å; L527-V552 PolarHBondContact N-O 3.04Å; L527-V554 PolarHBondContact O-N 3.49Å
528P94.2Very high95.6Very high52 Ų5236.1 Ų36.134%0.33821%0.212SC..SBendtrans-73.1-4-17829.2-35000114.3A462A462-P528 HydrophobicContact CB-CB 4.36Å
529G91.4Very high95.6Very high25 Ų2532.2 Ų32.226%0.25818%0.182SC..SBendtrans147.5-137.9-175.800000111.3L527L527-G529 PolarHBondContact O-N 3.34Å; L527-G529 VanDerWaalsContact O-N 3.16Å
530K87.6Confident95.8Very high173 Ų17329.7 Ų29.775%0.75216%0.156SC*.SBendtrans-78.7119.4169.5-171.1177.9-174.1175.50108.2D350D350-K530 IonicContact OD1-NZ 3.14Å; D350-K530 IonicContact OD2-NZ 3.38Å; D350-K530 PolarHBondContact OD2-NZ 3.08Å
531T89.9Confident95.8Very high33 Ų3328.1 Ų28.120%0.20215%0.147CC..  trans-152146.7-174.1171.60000110L527 V533 Y534L527-T531 HydrophobicContact CB-CG2 4.2Å; L527-T531 HydrophobicContact CD1-CG2 4.39Å; L527-T531 HydrophobicContact CD2-CG2 4.19Å; T531-V533 HydrophobicContact CG2-CB 3.92Å; T531-V533 HydrophobicContact CG2-CG2 4.47Å; T531-V533 PolarHBondContact O-N 2.81Å; T531-V533 WeakPolarHBondContact OG1-CG2 3.06Å; T531-V533 PolarHBondContact OG1-N 2.81Å; T531-Y534 PolarHBondContact O-N 2.89Å
532P90.4Very high95.7Very high86 Ų8625.6 Ų25.656%0.55814%0.136SC*.THydrogen-bonded Turntrans-59.3-23.2173.425.2-35.5000112.9Y534 A535 E536P532-Y534 PolarHBondContact O-N 2.8Å; P532-Y534 VanDerWaalsContact O-N 3.09Å; P532-A535 PolarHBondContact O-N 2.83Å; P532-E536 PolarHBondContact O-N 3.42Å
533V95Very high95.6Very high7 Ų726.8 Ų26.84%0.04214%0.143CC..Hα-helixtrans-53.6-33.4176.9178.60000112.1F461 A503 V506 L527 T531 A535 E536 V537F461-V533 HydrophobicContact CB-CG1 4.26Å; F461-V533 HydrophobicContact CD1-CG1 3.65Å; F461-V533 HydrophobicContact CD1-CG2 4.27Å; F461-V533 HydrophobicContact CD2-CG1 4.17Å; F461-V533 HydrophobicContact CE1-CG1 3.94Å; F461-V533 HydrophobicContact CE2-CG1 4.44Å; F461-V533 HydrophobicContact CG-CG1 3.77Å; F461-V533 HydrophobicContact CZ-CG1 4.35Å; A503-V533 HydrophobicContact CB-CG2 4.46Å; V506-V533 HydrophobicContact CG2-CG1 3.95Å; L527-V533 HydrophobicContact CD2-CB 4.16Å; L527-V533 HydrophobicContact CD2-CG1 3.68Å; T531-V533 HydrophobicContact CG2-CB 3.92Å; T531-V533 HydrophobicContact CG2-CG2 4.47Å; T531-V533 PolarHBondContact O-N 2.81Å; T531-V533 WeakPolarHBondContact OG1-CG2 3.06Å; T531-V533 PolarHBondContact OG1-N 2.81Å; V533-A535 PolarHBondContact O-N 3.12Å; V533-E536 PolarHBondContact O-N 3.12Å; V533-V537 HydrophobicContact CG1-CG2 3.96Å; V533-V537 WeakPolarHBondContact O-CB 3.47Å; V533-V537 WeakPolarHBondContact O-CG2 3.33Å; V533-V537 PolarHBondContact O-N 3.04Å
534Y96.4Very high95.4Very high65 Ų6529.8 Ų29.826%0.25516%0.159SC..Hα-helixtrans-60.5-45.5177.4178-93.6000112.3L527 T531 P532 E536 V537 K538 C551 Y830L527-Y534 HydrophobicContact CD1-CD2 3.89Å; L527-Y534 HydrophobicContact CD1-CG 4.41Å; T531-Y534 PolarHBondContact O-N 2.89Å; P532-Y534 PolarHBondContact O-N 2.8Å; P532-Y534 VanDerWaalsContact O-N 3.09Å; Y534-E536 VanDerWaalsContact C-N 3.35Å; Y534-V537 PolarHBondContact O-N 2.8Å; Y534-K538 HydrophobicContact CD1-CG 4.5Å; Y534-K538 HydrophobicContact CE1-CG 4.06Å; Y534-K538 HydrophobicContact CE2-CG 4.39Å; Y534-K538 WeakPolarHBondContact O-CG 3.47Å; Y534-K538 PolarHBondContact O-N 2.75Å; Y534-C551 HydrophobicContact CD2-CB 4.15Å; Y534-C551 HydrophobicContact CE2-CB 4.17Å; Y534-Y830 AromaticContact CD1-CD1 3.87Å; Y534-Y830 HydrophobicContact CD1-CD1 3.87Å; Y534-Y830 AromaticContact CD1-CE1 3.73Å; Y534-Y830 HydrophobicContact CD1-CE1 3.73Å; Y534-Y830 HydrophobicContact CD1-CE2 4.48Å; Y534-Y830 HydrophobicContact CD1-CG 4.3Å; Y534-Y830 HydrophobicContact CE1-CD1 4.02Å; Y534-Y830 AromaticContact CE1-CD2 3.93Å; Y534-Y830 HydrophobicContact CE1-CD2 3.93Å; Y534-Y830 AromaticContact CE1-CE1 3.94Å; Y534-Y830 HydrophobicContact CE1-CE1 3.94Å; Y534-Y830 AromaticContact CE1-CE2 3.85Å; Y534-Y830 HydrophobicContact CE1-CE2 3.85Å; Y534-Y830 HydrophobicContact CE1-CG 4Å; Y534-Y830 AromaticContact CE1-CZ 3.85Å
535A95.3Very high95.4Very high11 Ų1130.6 Ų30.69%0.09116%0.163CC..Hα-helixtrans-64.2-44.5-179.700000110.2P532 V533 K538 R539 Y830 V833P532-A535 PolarHBondContact O-N 2.83Å; V533-A535 PolarHBondContact O-N 3.12Å; A535-K538 PolarHBondContact O-N 3.44Å; A535-K538 VanDerWaalsContact O-N 3.16Å; A535-R539 PolarHBondContact O-N 2.99Å; A535-Y830 HydrophobicContact CB-CD1 4.06Å; A535-V833 HydrophobicContact CB-CB 4.21Å; A535-V833 HydrophobicContact CB-CG1 4.42Å
536E96.4Very high95.3Very high12 Ų1231.4 Ų31.46%0.05617%0.172CC..Hα-helixtrans-65.2-41.6179.4-174.366.7173.100112.5A503 V506 P532 V533 Y534 K538 R539 V540 K835A503-E536 HydrophobicContact CB-CB 4.05Å; A503-E536 HydrophobicContact CB-CG 4.22Å; A503-E536 WeakPolarHBondContact O-CG 3.12Å; V506-E536 HydrophobicContact CB-CG 3.85Å; V506-E536 HydrophobicContact CG1-CG 4.15Å; V506-E536 HydrophobicContact CG2-CB 4.41Å; V506-E536 HydrophobicContact CG2-CG 4.07Å; P532-E536 PolarHBondContact O-N 3.42Å; V533-E536 PolarHBondContact O-N 3.12Å; Y534-E536 VanDerWaalsContact C-N 3.35Å; E536-K538 PolarHBondContact O-N 2.97Å; E536-R539 PolarHBondContact O-N 3.23Å; E536-R539 IonicContact OE1-CZ 3.2Å; E536-R539 IonicContact OE1-NE 2.96Å; E536-R539 IonicContact OE1-NH2 3.31Å; E536-R539 PolarHBondContact OE1-NH2 3.27Å; E536-R539 IonicContact OE2-CZ 3.65Å; E536-R539 IonicContact OE2-NE 3.78Å; E536-R539 PolarHBondContact OE2-NE 3.39Å; E536-R539 IonicContact OE2-NH2 3.17Å; E536-V540 HydrophobicContact CG-CG2 4.17Å; E536-V540 WeakPolarHBondContact O-CB 3.36Å; E536-V540 VanDerWaalsContact O-CG2 3.31Å; E536-V540 WeakPolarHBondContact O-CG2 3.23Å; E536-V540 PolarHBondContact O-N 3.12Å; E536-K835 WeakPolarHBondContact OE1-CE 3.33Å; E536-K835 IonicContact OE1-NZ 3.12Å; E536-K835 PolarHBondContact OE1-NZ 2.79Å; E536-K835 WeakPolarHBondContact OE2-CE 3.44Å
537V97.8Very high95.2Very high0 Ų032.3 Ų32.30%018%0.176CC..Hα-helixtrans-57-39.6173.4166.20000111.6V506 F510 V525 V533 Y534 G541 T549V506-V537 HydrophobicContact CG1-CB 4.44Å; V506-V537 HydrophobicContact CG1-CG2 3.86Å; V506-V537 HydrophobicContact CG2-CG2 3.94Å; F510-V537 HydrophobicContact CE2-CG1 4.32Å; F510-V537 HydrophobicContact CZ-CG1 4.08Å; F510-V537 HydrophobicContact CZ-CG2 4.41Å; V525-V537 HydrophobicContact CG1-CG2 4.03Å; V525-V537 HydrophobicContact CG2-CG1 4.01Å; V533-V537 HydrophobicContact CG1-CG2 3.96Å; V533-V537 WeakPolarHBondContact O-CB 3.47Å; V533-V537 WeakPolarHBondContact O-CG2 3.33Å; V533-V537 PolarHBondContact O-N 3.04Å; Y534-V537 PolarHBondContact O-N 2.8Å; V537-G541 PolarHBondContact O-N 3.28Å; V537-T549 HydrophobicContact CG1-CG2 4.17Å
538K97.4Very high95.3Very high3 Ų333.4 Ų33.41%0.01319%0.186CC..Hα-helixtrans-76.4-35.8178.4-64.9-47.2179.8-174.30113.1Y534 A535 E536 D542 T549 H831Y534-K538 HydrophobicContact CD1-CG 4.5Å; Y534-K538 HydrophobicContact CE1-CG 4.06Å; Y534-K538 HydrophobicContact CE2-CG 4.39Å; Y534-K538 WeakPolarHBondContact O-CG 3.47Å; Y534-K538 PolarHBondContact O-N 2.75Å; A535-K538 PolarHBondContact O-N 3.44Å; A535-K538 VanDerWaalsContact O-N 3.16Å; E536-K538 PolarHBondContact O-N 2.97Å; K538-D542 WeakPolarHBondContact O-CA 3.37Å; K538-D542 WeakPolarHBondContact O-CB 3.16Å; K538-D542 PolarHBondContact O-N 3.23Å; K538-T549 PolarHBondContact NZ-O 2.83Å; K538-T549 PolarHBondContact NZ-OG1 3Å; K538-H831 PolarHBondContact O-NE2 2.94Å
539R95.9Very high95.5Very high56 Ų5631 Ų3121%0.21117%0.171CC..Iπ-helixtrans-62.5-56.7172-170.2-166.569.479.1-0.7110E507 A535 E536 G541 T543 L544E507-R539 IonicContact OE2-CZ 2.57Å; E507-R539 IonicContact OE2-NH2 3.12Å; E507-R539 PolarHBondContact OE2-NH2 3.41Å; A535-R539 PolarHBondContact O-N 2.99Å; E536-R539 PolarHBondContact O-N 3.23Å; E536-R539 IonicContact OE1-CZ 3.2Å; E536-R539 IonicContact OE1-NE 2.96Å; E536-R539 IonicContact OE1-NH2 3.31Å; E536-R539 PolarHBondContact OE1-NH2 3.27Å; E536-R539 IonicContact OE2-CZ 3.65Å; E536-R539 IonicContact OE2-NE 3.78Å; E536-R539 PolarHBondContact OE2-NE 3.39Å; E536-R539 IonicContact OE2-NH2 3.17Å; R539-G541 PolarHBondContact O-N 3.38Å; R539-T543 PolarHBondContact O-N 2.99Å; R539-T543 PolarHBondContact O-OG1 3.39Å; R539-L544 PolarHBondContact O-N 3.04Å
540V96.9Very high95.8Very high0 Ų030.3 Ų30.30%016%0.16CC..Iπ-helixtrans-61.5-46.5-178177.30000111.4V506 E507 F510 E536 L544 L545V506-V540 HydrophobicContact CG1-CB 4.08Å; V506-V540 HydrophobicContact CG1-CG1 4.44Å; V506-V540 HydrophobicContact CG1-CG2 4Å; E507-V540 HydrophobicContact CB-CG1 4.37Å; E507-V540 HydrophobicContact CB-CG2 3.83Å; E507-V540 HydrophobicContact CG-CG1 4.45Å; E507-V540 HydrophobicContact CG-CG2 4.33Å; F510-V540 HydrophobicContact CB-CG1 3.85Å; F510-V540 HydrophobicContact CD2-CB 4.29Å; F510-V540 HydrophobicContact CD2-CG1 3.64Å; F510-V540 HydrophobicContact CG-CG1 4.06Å; E536-V540 HydrophobicContact CG-CG2 4.17Å; E536-V540 WeakPolarHBondContact O-CB 3.36Å; E536-V540 VanDerWaalsContact O-CG2 3.31Å; E536-V540 WeakPolarHBondContact O-CG2 3.23Å; E536-V540 PolarHBondContact O-N 3.12Å; V540-L544 HydrophobicContact CG1-CD2 4.49Å; V540-L544 PolarHBondContact O-N 3.3Å; V540-L545 HydrophobicContact CG1-CD1 3.62Å; V540-L545 HydrophobicContact CG1-CG 4.06Å; V540-L545 WeakPolarHBondContact O-CB 3.5Å; V540-L545 PolarHBondContact O-N 3.34Å
541G97.6Very high96.3Very high0 Ų023 Ų230%013%0.131CC..Iπ-helixtrans-68.8-52.7-179.600000113.3V537 R539 G546 M547V537-G541 PolarHBondContact O-N 3.28Å; R539-G541 PolarHBondContact O-N 3.38Å; G541-G546 CarbonylContact O-C 3.54Å; G541-G546 WeakPolarHBondContact O-CA 3.47Å; G541-G546 PolarHBondContact O-N 3.06Å; G541-M547 PolarHBondContact O-N 3.21Å
542D97.7Very high96.7Very high4 Ų422 Ų222%0.02113%0.125CC..Iπ-helixtrans-82.6-36.5-169.3-50.8-25000112.4K538 R827 H831 I863 H864 T867 Y872K538-D542 WeakPolarHBondContact O-CA 3.37Å; K538-D542 WeakPolarHBondContact O-CB 3.16Å; K538-D542 PolarHBondContact O-N 3.23Å; D542-R827 IonicContact OD1-NH1 3.51Å; D542-R827 WeakPolarHBondContact OD2-CD 3.35Å; D542-R827 IonicContact OD2-CZ 2.69Å; D542-R827 IonicContact OD2-NE 3.93Å; D542-R827 IonicContact OD2-NH1 3.48Å; D542-R827 PolarHBondContact OD2-NH1 2.88Å; D542-H831 IonicContact OD2-CE1 3.26Å; D542-H831 IonicContact OD2-NE2 3.15Å; D542-H831 PolarHBondContact OD2-NE2 3.14Å; D542-H831 VanDerWaalsContact OD2-NE2 3.11Å; D542-I863 HydrophobicContact CB-CD1 4.38Å; D542-H864 WeakPolarHBondContact O-CB 3.42Å; D542-H864 PolarHBondContact O-N 2.97Å; D542-T867 HydrophobicContact CB-CG2 4.41Å; D542-T867 PolarHBondContact O-OG1 3.19Å; D542-Y872 HydrophobicContact CB-CD2 3.94Å; D542-Y872 HydrophobicContact CB-CE2 4.42Å
543T95.2Very high97Very high27 Ų2721.7 Ų21.717%0.16612%0.116CC..Iπ-helixtrans-107.1-37-171.278.20000114.1R539 H831 Q862 I863 H864R539-T543 PolarHBondContact O-N 2.99Å; R539-T543 PolarHBondContact O-OG1 3.39Å; T543-H831 HydrophobicContact CG2-CB 4.46Å; T543-Q862 WeakPolarHBondContact CB-O 3.21Å; T543-I863 HydrophobicContact CG2-CD1 4.25Å; T543-H864 WeakPolarHBondContact O-CB 3.3Å
544L95.6Very high97.1Very high64 Ų6421.7 Ų21.734%0.33512%0.116SC..Iπ-helixtrans-91.3-48.7-173.5-174.564.8000113.7E507 R539 V540 H864E507-L544 VanDerWaalsContact CD-CD2 3.42Å; E507-L544 HydrophobicContact CG-CD2 3.84Å; R539-L544 PolarHBondContact O-N 3.04Å; V540-L544 HydrophobicContact CG1-CD2 4.49Å; V540-L544 PolarHBondContact O-N 3.3Å; L544-H864 PolarHBondContact O-CD2 3.47Å; L544-H864 VanDerWaalsContact O-CD2 3.27Å
545L97.1Very high97.1Very high18 Ų1824.9 Ų24.99%0.09413%0.131CC..Iπ-helixtrans-114.2-11.8-169-61.2-179.2000114.4F510 K511 K514 V540 M547F510-L545 HydrophobicContact CB-CD1 3.54Å; K511-L545 HydrophobicContact CG-CD1 3.97Å; K511-L545 HydrophobicContact CG-CD2 4.05Å; K514-L545 HydrophobicContact CD-CB 4.35Å; K514-L545 PolarHBondContact NZ-O 2.95Å; V540-L545 HydrophobicContact CG1-CD1 3.62Å; V540-L545 HydrophobicContact CG1-CG 4.06Å; V540-L545 WeakPolarHBondContact O-CB 3.5Å; V540-L545 PolarHBondContact O-N 3.34Å; L545-M547 HydrophobicContact CB-CG 3.92Å; L545-M547 HydrophobicContact CB-SD 3.95Å; L545-M547 HydrophobicContact CD1-SD 4.09Å
546G97Very high97.2Very high17 Ų1726.8 Ų26.818%0.17514%0.14CC..  trans68.641.6177.500000114.5G541 H864 T867G541-G546 CarbonylContact O-C 3.54Å; G541-G546 WeakPolarHBondContact O-CA 3.47Å; G541-G546 PolarHBondContact O-N 3.06Å; G546-H864 WeakPolarHBondContact CA-ND1 3.47Å; G546-T867 VanDerWaalsContact CA-OG1 3.28Å; G546-T867 WeakPolarHBondContact CA-OG1 3.29Å
547M97.8Very high97.2Very high18 Ų1826.3 Ų26.39%0.08914%0.138CC..  trans-116.3131.9-172.8-58.4179.381.300111.7F510 L513 K514 L520 I523 G541 L545 T549F510-M547 HydrophobicContact CB-SD 4.21Å; L513-M547 HydrophobicContact CB-CE 4.33Å; K514-M547 HydrophobicContact CB-CE 3.89Å; K514-M547 HydrophobicContact CB-SD 3.87Å; K514-M547 HydrophobicContact CD-CG 4.41Å; K514-M547 HydrophobicContact CD-SD 4.32Å; K514-M547 HydrophobicContact CG-SD 4.4Å; L520-M547 HydrophobicContact CD2-CE 3.44Å; L520-M547 VanDerWaalsContact CD2-CE 3.44Å; L520-M547 HydrophobicContact CG-CE 4.36Å; I523-M547 HydrophobicContact CD1-CE 3.6Å; I523-M547 HydrophobicContact CD1-SD 4.21Å; I523-M547 HydrophobicContact CG1-CE 4.36Å; G541-M547 PolarHBondContact O-N 3.21Å; L545-M547 HydrophobicContact CB-CG 3.92Å; L545-M547 HydrophobicContact CB-SD 3.95Å; L545-M547 HydrophobicContact CD1-SD 4.09Å; M547-T549 PolarHBondContact O-N 2.9Å
548A98.2Very high97.1Very high30 Ų3029.7 Ų29.725%0.24816%0.158CC..  trans-69.9123.8177.600000111.2Q521 L522 I523 L576Q521-A548 WeakPolarHBondContact O-CB 3.17Å; L522-A548 HydrophobicContact CD1-CB 4.44Å; I523-A548 PolarHBondContact N-O 2.91Å; A548-L576 HydrophobicContact CB-CD2 3.89Å
549T98.6Very high97Very high3 Ų338 Ų382%0.01819%0.194CC..EExtended strand (participates in β ladder)trans-124.3136.6-179.157.80000112.9F510 I523 V537 K538 M547 K575F510-T549 HydrophobicContact CE2-CG2 3.55Å; F510-T549 HydrophobicContact CZ-CG2 3.89Å; I523-T549 HydrophobicContact CB-CG2 4.4Å; I523-T549 WeakPolarHBondContact O-CA 3.36Å; V537-T549 HydrophobicContact CG1-CG2 4.17Å; K538-T549 PolarHBondContact NZ-O 2.83Å; K538-T549 PolarHBondContact NZ-OG1 3Å; M547-T549 PolarHBondContact O-N 2.9Å; T549-K575 PolarHBondContact O-NZ 3.37Å
550Q98.6Very high96.9Very high9 Ų936.8 Ų36.84%0.04219%0.193CC..EExtended strand (participates in β ladder)trans-123.8106174.2-178.652.256.600111.3L522 I523 V524 V525 L568 I572L522-Q550 HydrophobicContact CD1-CB 4.05Å; I523-Q550 PolarHBondContact O-N 3.49Å; V524-Q550 WeakPolarHBondContact CA-O 3.46Å; V525-Q550 PolarHBondContact N-O 3.43Å; Q550-L568 VanDerWaalsContact CD-CD1 3.49Å; Q550-L568 HydrophobicContact CG-CD1 3.49Å; Q550-L568 VanDerWaalsContact CG-CD1 3.49Å; Q550-L568 HydrophobicContact CG-CG 4.24Å; Q550-I572 HydrophobicContact CB-CG1 4.16Å; Q550-I572 HydrophobicContact CG-CD1 4.22Å; Q550-I572 HydrophobicContact CG-CG1 3.84Å
551C98.4Very high96.9Very high19 Ų1938.9 Ų38.913%0.12821%0.208CC..EExtended strand (participates in β ladder)trans-83141.6178.5-49.60000111.7V525 L527 Y534V525-C551 CarbonylContact O-C 3.37Å; V525-C551 WeakPolarHBondContact O-CA 3.34Å; L527-C551 HydrophobicContact CD1-CB 3.95Å; Y534-C551 HydrophobicContact CD2-CB 4.15Å; Y534-C551 HydrophobicContact CE2-CB 4.17Å
552V98.2Very high96.8Very high12 Ų1243.1 Ų43.17%0.07324%0.235CC..EExtended strand (participates in β ladder)trans-133.9135.5176.6-171.80000108.8F475 V524 V525 I526 L527 N556 V557 L568F475-V552 HydrophobicContact CE2-CG1 4.45Å; F475-V552 HydrophobicContact CZ-CG2 4.32Å; V524-V552 HydrophobicContact CG1-CG2 4.26Å; V525-V552 PolarHBondContact O-N 2.97Å; I526-V552 WeakPolarHBondContact CA-O 3.37Å; L527-V552 PolarHBondContact N-O 3.04Å; V552-N556 HydrophobicContact CG1-CB 4.03Å; V552-V557 HydrophobicContact CB-CG2 4.32Å; V552-V557 HydrophobicContact CG1-CG2 3.81Å; V552-L568 HydrophobicContact CG2-CD1 3.95Å; V552-L568 HydrophobicContact CG2-CD2 3.76Å
553Q96.9Very high96.6Very high81 Ų8148 Ų4838%0.37926%0.258SS..EExtended strand (participates in β ladder)trans-74.1140.5174.2-70.7-173.8-30.400110.3K555 N556 V557Q553-K555 HydrophobicContact CB-CG 4.16Å; Q553-K555 PolarHBondContact O-N 2.88Å; Q553-K555 VanDerWaalsContact O-N 3.13Å; Q553-N556 WeakPolarHBondContact O-CB 3.06Å; Q553-N556 PolarHBondContact O-N 2.88Å; Q553-V557 PolarHBondContact O-N 2.8Å
554V97.1Very high96.6Very high6 Ų649.3 Ų49.34%0.03627%0.266CS..Hα-helixtrans-52.2-38.4-178.365.40000113A462 Q466 C467 I526 L527 N556 V557 V558A462-V554 HydrophobicContact CB-CB 3.95Å; A462-V554 HydrophobicContact CB-CG2 3.8Å; Q466-V554 HydrophobicContact CG-CG2 4.17Å; C467-V554 HydrophobicContact CB-CG2 3.66Å; I526-V554 HydrophobicContact CG2-CB 4.27Å; L527-V554 PolarHBondContact O-N 3.49Å; V554-N556 PolarHBondContact O-N 3.5Å; V554-N556 VanDerWaalsContact O-N 3.14Å; V554-V557 WeakPolarHBondContact O-CA 3.43Å; V554-V557 WeakPolarHBondContact O-CB 3.19Å; V554-V557 PolarHBondContact O-N 3.06Å; V554-V558 HydrophobicContact CG2-CG2 3.98Å; V554-V558 WeakPolarHBondContact O-CG2 3.42Å; V554-V558 PolarHBondContact O-N 3.11Å
555K95.9Very high96.7Very high132 Ų13246.3 Ų46.357%0.57425%0.25SS*.Hα-helixtrans-57.9-30.7176.764.7172.8179.9-174.50113.9Q553 K559Q553-K555 HydrophobicContact CB-CG 4.16Å; Q553-K555 PolarHBondContact O-N 2.88Å; Q553-K555 VanDerWaalsContact O-N 3.13Å; K555-K559 PolarHBondContact O-N 2.93Å
556N96.6Very high96.7Very high51 Ų5146.5 Ų46.527%0.27325%0.253SS..Hα-helixtrans-86.8-11178.8-62-18.9000112.5V552 Q553 V554 T564V552-N556 HydrophobicContact CG1-CB 4.03Å; Q553-N556 WeakPolarHBondContact O-CB 3.06Å; Q553-N556 PolarHBondContact O-N 2.88Å; V554-N556 PolarHBondContact O-N 3.5Å; V554-N556 VanDerWaalsContact O-N 3.14Å; N556-T564 HydrophobicContact CB-CG2 4.33Å
557V96.8Very high96.6Very high3 Ų348.1 Ų48.12%0.01826%0.258CS..Hα-helixtrans-88-46.4170.9178.10000109.3L472 F475 I526 V552 Q553 V554L472-V557 HydrophobicContact CD2-CG1 4.2Å; F475-V557 HydrophobicContact CB-CG1 3.71Å; F475-V557 HydrophobicContact CD1-CG1 4.32Å; F475-V557 HydrophobicContact CD2-CB 4.33Å; F475-V557 HydrophobicContact CD2-CG1 4.25Å; F475-V557 HydrophobicContact CD2-CG2 4.18Å; F475-V557 HydrophobicContact CE2-CG2 4.28Å; F475-V557 HydrophobicContact CG-CB 4.4Å; F475-V557 HydrophobicContact CG-CG1 3.84Å; F475-V557 HydrophobicContact CG-CG2 4.37Å; I526-V557 HydrophobicContact CD1-CG1 4.19Å; I526-V557 HydrophobicContact CD1-CG2 4.05Å; I526-V557 HydrophobicContact CG1-CG2 4.01Å; I526-V557 HydrophobicContact CG2-CG2 3.92Å; V552-V557 HydrophobicContact CB-CG2 4.32Å; V552-V557 HydrophobicContact CG1-CG2 3.81Å; Q553-V557 PolarHBondContact O-N 2.8Å; V554-V557 WeakPolarHBondContact O-CA 3.43Å; V554-V557 WeakPolarHBondContact O-CB 3.19Å; V554-V557 PolarHBondContact O-N 3.06Å
558V95.6Very high96.7Very high70 Ų7048 Ų4842%0.42426%0.258SS..Hα-helixtrans-62.3-45.4176.5176.20000110.9L471 V554L471-V558 HydrophobicContact CD1-CG1 4.43Å; L471-V558 HydrophobicContact CD1-CG2 4.13Å; V554-V558 HydrophobicContact CG2-CG2 3.98Å; V554-V558 WeakPolarHBondContact O-CG2 3.42Å; V554-V558 PolarHBondContact O-N 3.11Å
559K95Very high96.7Very high178 Ų17846.6 Ų46.677%0.77425%0.246SC*.SBendtrans-12291.4177.3-169.2173.3-176.5173.10109.9K555K555-K559 PolarHBondContact O-N 2.93Å
560T94.8Very high96.6Very high30 Ų3046.6 Ų46.618%0.18425%0.245CC..  trans-74.6151.6175.649.60000111.6F475 Q478 L565F475-T560 HydrophobicContact CB-CG2 4.36Å; F475-T560 HydrophobicContact CD2-CG2 3.75Å; Q478-T560 VanDerWaalsContact CD-OG1 3.29Å; Q478-T560 PolarHBondContact NE2-OG1 3.42Å; Q478-T560 PolarHBondContact OE1-OG1 3.03Å; T560-L565 HydrophobicContact CG2-CD1 4.36Å; T560-L565 HydrophobicContact CG2-CD2 4.37Å
561S96.3Very high96.6Very high44 Ų4447.6 Ų47.631%0.30825%0.25SC..  trans-137.7143.5165.2730000109.9Q563 T564 L565S561-Q563 PolarHBondContact O-N 3.38Å; S561-T564 PolarHBondContact O-N 3.37Å; S561-T564 WeakPolarHBondContact OG-CB 3.21Å; S561-T564 PolarHBondContact OG-N 3.35Å; S561-T564 PolarHBondContact OG-OG1 2.97Å; S561-L565 WeakPolarHBondContact O-CG 3.31Å; S561-L565 PolarHBondContact O-N 3.18Å
562P95.3Very high96.6Very high89 Ų8946.7 Ų46.758%0.57824%0.244SC*.Hα-helixtrans-54.3-38.9179.9-28.735.6000113I482 L565 S566I482-P562 HydrophobicContact CD1-CB 4.13Å; P562-L565 PolarHBondContact O-N 3.08Å; P562-S566 VanDerWaalsContact O-CB 3.24Å; P562-S566 WeakPolarHBondContact O-CB 3.32Å; P562-S566 PolarHBondContact O-N 3.27Å
563Q93.3Very high96.6Very high107 Ų10746.1 Ų46.150%0.524%0.24SC..Hα-helixtrans-63.5-42.7176.9-176.361.359.900112.6S561 N567S561-Q563 PolarHBondContact O-N 3.38Å; Q563-N567 PolarHBondContact NE2-ND2 3.36Å; Q563-N567 PolarHBondContact NE2-OD1 3.29Å; Q563-N567 WeakPolarHBondContact O-CB 3.48Å; Q563-N567 VanDerWaalsContact O-CG 3.31Å; Q563-N567 PolarHBondContact O-N 3.39Å; Q563-N567 PolarHBondContact O-ND2 3.11Å
564T95.3Very high96.6Very high54 Ų5442.4 Ų42.433%0.33122%0.223SC..Hα-helixtrans-66.9-42.6177.8-63.30000111N556 S561 N567 L568N556-T564 HydrophobicContact CB-CG2 4.33Å; S561-T564 PolarHBondContact O-N 3.37Å; S561-T564 WeakPolarHBondContact OG-CB 3.21Å; S561-T564 PolarHBondContact OG-N 3.35Å; S561-T564 PolarHBondContact OG-OG1 2.97Å; T564-N567 PolarHBondContact O-N 3.08Å; T564-L568 WeakPolarHBondContact O-CB 3.36Å; T564-L568 PolarHBondContact O-N 3.05Å
565L97.5Very high96.7Very high2 Ų242.7 Ų42.71%0.0122%0.224CC..Hα-helixtrans-68-39.1178.4-64178.5000112.1F475 Q478 L479 I482 T560 S561 P562 L568 C569F475-L565 HydrophobicContact CD2-CD2 4.08Å; F475-L565 HydrophobicContact CE2-CD2 3.64Å; Q478-L565 HydrophobicContact CB-CD1 3.69Å; L479-L565 HydrophobicContact CB-CD2 4.46Å; L479-L565 HydrophobicContact CD1-CD2 4.27Å; I482-L565 HydrophobicContact CB-CB 4.29Å; I482-L565 HydrophobicContact CG1-CB 4.19Å; I482-L565 HydrophobicContact CG1-CD1 4.23Å; I482-L565 HydrophobicContact CG2-CB 4.17Å; T560-L565 HydrophobicContact CG2-CD1 4.36Å; T560-L565 HydrophobicContact CG2-CD2 4.37Å; S561-L565 WeakPolarHBondContact O-CG 3.31Å; S561-L565 PolarHBondContact O-N 3.18Å; P562-L565 PolarHBondContact O-N 3.08Å; L565-L568 VanDerWaalsContact O-CB 3.31Å; L565-L568 WeakPolarHBondContact O-CB 3.49Å; L565-L568 PolarHBondContact O-N 2.85Å; L565-L568 VanDerWaalsContact O-N 3.14Å; L565-C569 PolarHBondContact O-N 3.33Å; L565-C569 PolarHBondContact O-SG 3.07Å
566S97Very high96.7Very high22 Ų2238.2 Ų38.215%0.15421%0.206CC..Hα-helixtrans-62.2-45.2174.1179.50000111P562 L568 C569 L570P562-S566 VanDerWaalsContact O-CB 3.24Å; P562-S566 WeakPolarHBondContact O-CB 3.32Å; P562-S566 PolarHBondContact O-N 3.27Å; S566-L568 PolarHBondContact O-N 3.05Å; S566-C569 WeakPolarHBondContact O-CB 3.39Å; S566-C569 PolarHBondContact O-N 2.95Å; S566-C569 VanDerWaalsContact O-N 3.15Å; S566-L570 PolarHBondContact O-N 3.09Å
567N96.7Very high96.6Very high51 Ų5136.6 Ų36.627%0.27320%0.202SC..Hα-helixtrans-64.5-28.6173.7-73.5-20000113.2Q563 T564Q563-N567 PolarHBondContact NE2-ND2 3.36Å; Q563-N567 PolarHBondContact NE2-OD1 3.29Å; Q563-N567 WeakPolarHBondContact O-CB 3.48Å; Q563-N567 VanDerWaalsContact O-CG 3.31Å; Q563-N567 PolarHBondContact O-N 3.39Å; Q563-N567 PolarHBondContact O-ND2 3.11Å; T564-N567 PolarHBondContact O-N 3.08Å
568L98Very high96.5Very high16 Ų1636.7 Ų36.78%0.08420%0.203CC..Hα-helixtrans-69.2-43.6173.1-169.464.5000110.9F475 L479 Q550 V552 T564 L565 S566 L570 K571 I572F475-L568 HydrophobicContact CE2-CD2 4.42Å; F475-L568 HydrophobicContact CZ-CD2 4.07Å; L479-L568 HydrophobicContact CD1-CD2 4.1Å; L479-L568 HydrophobicContact CD2-CD2 4.34Å; Q550-L568 VanDerWaalsContact CD-CD1 3.49Å; Q550-L568 HydrophobicContact CG-CD1 3.49Å; Q550-L568 VanDerWaalsContact CG-CD1 3.49Å; Q550-L568 HydrophobicContact CG-CG 4.24Å; V552-L568 HydrophobicContact CG2-CD1 3.95Å; V552-L568 HydrophobicContact CG2-CD2 3.76Å; T564-L568 WeakPolarHBondContact O-CB 3.36Å; T564-L568 PolarHBondContact O-N 3.05Å; L565-L568 VanDerWaalsContact O-CB 3.31Å; L565-L568 WeakPolarHBondContact O-CB 3.49Å; L565-L568 PolarHBondContact O-N 2.85Å; L565-L568 VanDerWaalsContact O-N 3.14Å; S566-L568 PolarHBondContact O-N 3.05Å; L568-L570 VanDerWaalsContact C-N 3.33Å; L568-L570 PolarHBondContact O-N 3.23Å; L568-K571 PolarHBondContact O-N 3.03Å; L568-K571 VanDerWaalsContact O-N 3.15Å; L568-I572 HydrophobicContact CG-CD1 4.01Å; L568-I572 WeakPolarHBondContact O-CG1 3.28Å; L568-I572 PolarHBondContact O-N 3.27Å
569C98.3Very high96.6Very high0 Ų034.5 Ų34.50%019%0.189CC..Hα-helixtrans-60.7-39.8176.6-64.70000112.1F447 M488 L565 S566 K571 I572 N573F447-C569 HydrophobicContact CE2-CB 4.34Å; F447-C569 HydrophobicContact CZ-CB 4.15Å; M488-C569 HydrophobicContact CE-CB 3.88Å; L565-C569 PolarHBondContact O-N 3.33Å; L565-C569 PolarHBondContact O-SG 3.07Å; S566-C569 WeakPolarHBondContact O-CB 3.39Å; S566-C569 PolarHBondContact O-N 2.95Å; S566-C569 VanDerWaalsContact O-N 3.15Å; C569-K571 PolarHBondContact O-N 3.29Å; C569-I572 PolarHBondContact O-N 2.66Å; C569-N573 WeakPolarHBondContact O-CB 3.46Å; C569-N573 PolarHBondContact O-N 2.99Å
570L98.1Very high96.6Very high2 Ų226 Ų261%0.0115%0.152CC..Hα-helixtrans-51.3-44.4173.5-75.5174.5000112.5M442 F447 S566 L568 A574 N580 V806 T809M442-L570 HydrophobicContact SD-CD2 3.74Å; M442-L570 HydrophobicContact SD-CG 4.38Å; F447-L570 HydrophobicContact CE1-CD2 3.66Å; F447-L570 HydrophobicContact CE1-CG 4.47Å; F447-L570 HydrophobicContact CZ-CD2 4.29Å; S566-L570 PolarHBondContact O-N 3.09Å; L568-L570 VanDerWaalsContact C-N 3.33Å; L568-L570 PolarHBondContact O-N 3.23Å; L570-A574 PolarHBondContact O-N 3.38Å; L570-N580 HydrophobicContact CD2-CB 4.16Å; L570-N580 WeakPolarHBondContact CD2-ND2 3.41Å; L570-N580 PolarHBondContact O-ND2 3.12Å; L570-V806 WeakPolarHBondContact CB-O 3.24Å; L570-T809 HydrophobicContact CD1-CG2 4.49Å
571K98.3Very high96.7Very high31 Ų3125.1 Ų25.114%0.13515%0.146CC..Hα-helixtrans-74.4-40.1-179.3-64.8166.957710111.9L568 C569 K575 R807 A874L568-K571 PolarHBondContact O-N 3.03Å; L568-K571 VanDerWaalsContact O-N 3.15Å; C569-K571 PolarHBondContact O-N 3.29Å; K571-K575 WeakPolarHBondContact O-CB 3.46Å; K571-K575 VanDerWaalsContact O-CG 3.32Å; K571-K575 WeakPolarHBondContact O-CG 3.2Å; K571-K575 PolarHBondContact O-N 2.9Å; K571-K575 VanDerWaalsContact O-N 3.09Å; K571-R807 HydrophobicContact CG-CG 4.25Å; K571-A874 PolarHBondContact NZ-O 2.77Å; K571-A874 PolarHBondContact NZ-OXT 2.99Å
572I98.6Very high96.6Very high0 Ų023.1 Ų23.10%013%0.132CC..Hα-helixtrans-63.2-50.4179.4-67.6168.1000109.7I453 M488 L522 Q550 L568 C569 A574 K575 L576I453-I572 HydrophobicContact CD1-CG2 3.58Å; M488-I572 HydrophobicContact CE-CB 4.07Å; M488-I572 HydrophobicContact CE-CG2 3.87Å; M488-I572 HydrophobicContact SD-CB 4.03Å; M488-I572 HydrophobicContact SD-CG2 3.71Å; L522-I572 HydrophobicContact CD2-CD1 4.15Å; L522-I572 HydrophobicContact CD2-CG1 4.21Å; L522-I572 HydrophobicContact CD2-CG2 3.72Å; Q550-I572 HydrophobicContact CB-CG1 4.16Å; Q550-I572 HydrophobicContact CG-CD1 4.22Å; Q550-I572 HydrophobicContact CG-CG1 3.84Å; L568-I572 HydrophobicContact CG-CD1 4.01Å; L568-I572 WeakPolarHBondContact O-CG1 3.28Å; L568-I572 PolarHBondContact O-N 3.27Å; C569-I572 PolarHBondContact O-N 2.66Å; I572-A574 VanDerWaalsContact C-N 3.34Å; I572-A574 PolarHBondContact O-N 2.87Å; I572-K575 PolarHBondContact O-N 2.63Å; I572-K575 VanDerWaalsContact O-N 3.15Å; I572-L576 HydrophobicContact CG2-CD1 3.89Å; I572-L576 HydrophobicContact CG2-CG 4.43Å; I572-L576 WeakPolarHBondContact O-CG 3.37Å; I572-L576 PolarHBondContact O-N 2.83Å; I572-L576 VanDerWaalsContact O-N 3.08Å
573N98.3Very high96.6Very high0 Ų019 Ų190%011%0.105CC..Hα-helixtrans-57.3-47.5-178.8-16753.5000111.5F447 A449 G450 I451 M488 C569 K575 L576 G577 G578 N580F447-N573 HydrophobicContact CD2-CB 4.01Å; F447-N573 HydrophobicContact CE2-CB 3.78Å; F447-N573 HydrophobicContact CZ-CB 4.22Å; A449-N573 PolarHBondContact O-ND2 2.95Å; A449-N573 VanDerWaalsContact O-ND2 3.17Å; G450-N573 WeakPolarHBondContact CA-OD1 3.38Å; I451-N573 PolarHBondContact N-OD1 3.01Å; M488-N573 HydrophobicContact CG-CB 4.44Å; M488-N573 HydrophobicContact SD-CB 3.62Å; M488-N573 PolarHBondContact SD-N 3.23Å; C569-N573 WeakPolarHBondContact O-CB 3.46Å; C569-N573 PolarHBondContact O-N 2.99Å; N573-K575 PolarHBondContact O-N 3.4Å; N573-L576 PolarHBondContact O-N 2.92Å; N573-G577 PolarHBondContact O-N 3.5Å; N573-G578 WeakPolarHBondContact O-CA 3.47Å; N573-G578 PolarHBondContact O-N 2.89Å; N573-N580 WeakPolarHBondContact CB-OD1 3.43Å; N573-N580 PolarHBondContact ND2-OD1 3.16Å
574A97.1Very high96.7Very high2 Ų214.2 Ų14.22%0.0178%0.083CC..Hα-helixtrans-61.8-39.9177.900000113.2L570 I572 L576 G577 V806 A874L570-A574 PolarHBondContact O-N 3.38Å; I572-A574 VanDerWaalsContact C-N 3.34Å; I572-A574 PolarHBondContact O-N 2.87Å; A574-L576 VanDerWaalsContact C-N 3.3Å; A574-L576 PolarHBondContact O-N 3.45Å; A574-G577 PolarHBondContact O-N 2.79Å; A574-V806 HydrophobicContact CB-CB 4.21Å; A574-V806 HydrophobicContact CB-CG2 3.87Å; A574-A874 HydrophobicContact CB-CB 4.44Å
575K97.9Very high96.3Very high13 Ų1314 Ų146%0.0578%0.083CC..Hα-helixtrans-65.5-33.8177.6-79.1174.2177.6174.10113.2T549 K571 I572 N573 G577 A874T549-K575 PolarHBondContact O-NZ 3.37Å; K571-K575 WeakPolarHBondContact O-CB 3.46Å; K571-K575 VanDerWaalsContact O-CG 3.32Å; K571-K575 WeakPolarHBondContact O-CG 3.2Å; K571-K575 PolarHBondContact O-N 2.9Å; K571-K575 VanDerWaalsContact O-N 3.09Å; I572-K575 PolarHBondContact O-N 2.63Å; I572-K575 VanDerWaalsContact O-N 3.15Å; N573-K575 PolarHBondContact O-N 3.4Å; K575-G577 PolarHBondContact O-N 3.07Å; K575-A874 WeakPolarHBondContact CE-O 2.88Å; K575-A874 HydrophobicContact CG-CB 4.36Å; K575-A874 PolarHBondContact NZ-O 3.49Å
576L96.8Very high95.8Very high37 Ų3721.1 Ų21.119%0.19412%0.116CC..THydrogen-bonded Turntrans-86.77.6178.8-58.5-179.5000112.7I451 I453 Q521 A548 I572 N573 A574I451-L576 HydrophobicContact CB-CB 4.21Å; I451-L576 HydrophobicContact CG1-CB 3.98Å; I451-L576 HydrophobicContact CG2-CB 3.99Å; I451-L576 HydrophobicContact CG2-CD1 4.21Å; I453-L576 HydrophobicContact CD1-CD1 3.56Å; I453-L576 HydrophobicContact CG1-CD1 3.65Å; Q521-L576 HydrophobicContact CB-CD2 4.39Å; Q521-L576 WeakPolarHBondContact O-CD2 3.42Å; A548-L576 HydrophobicContact CB-CD2 3.89Å; I572-L576 HydrophobicContact CG2-CD1 3.89Å; I572-L576 HydrophobicContact CG2-CG 4.43Å; I572-L576 WeakPolarHBondContact O-CG 3.37Å; I572-L576 PolarHBondContact O-N 2.83Å; I572-L576 VanDerWaalsContact O-N 3.08Å; N573-L576 PolarHBondContact O-N 2.92Å; A574-L576 VanDerWaalsContact C-N 3.3Å; A574-L576 PolarHBondContact O-N 3.45Å
577G93.9Very high95.4Very high18 Ų1823.8 Ų23.819%0.18613%0.125CC..THydrogen-bonded Turntrans89.47.2174.500000115.4N573 A574 K575 R629N573-G577 PolarHBondContact O-N 3.5Å; A574-G577 PolarHBondContact O-N 2.79Å; K575-G577 PolarHBondContact O-N 3.07Å; G577-R629 PolarHBondContact O-NH1 2.91Å
578G95.1Very high95.1Very high5 Ų524.3 Ų24.35%0.05212%0.124CC..  trans-72.8166.9174.100000113.5A449 N573A449-G578 CarbonylContact O-C 3.53Å; A449-G578 VanDerWaalsContact O-CA 3.26Å; A449-G578 WeakPolarHBondContact O-CA 3.33Å; N573-G578 WeakPolarHBondContact O-CA 3.47Å; N573-G578 PolarHBondContact O-N 2.89Å
579I96.4Very high94.8Very high23 Ų2324.4 Ų24.412%0.11813%0.125CC..BIsolated β-bridgetrans-116.7117.2178.2-59.9178.6000108Y448 A449 V582 R629Y448-I579 HydrophobicContact CD1-CB 4.13Å; Y448-I579 HydrophobicContact CD1-CD1 4.42Å; Y448-I579 HydrophobicContact CD1-CG2 3.79Å; Y448-I579 HydrophobicContact CG-CG2 4.21Å; Y448-I579 PolarHBondContact N-O 3.29Å; Y448-I579 VanDerWaalsContact N-O 3.13Å; A449-I579 HydrophobicContact CB-CB 3.92Å; A449-I579 HydrophobicContact CB-CG1 4.27Å; A449-I579 PolarHBondContact N-O 2.82Å; A449-I579 PolarHBondContact O-N 2.92Å; I579-V582 HydrophobicContact CG2-CG1 3.63Å; I579-R629 HydrophobicContact CG1-CG 4.3Å
580N96.3Very high94.5Very high1 Ų127.3 Ų27.31%0.00515%0.146CC..  trans-71.9-51.1-176.1-68.2-7.6000111.6Y414 F447 Y448 L570 N573 V806Y414-N580 WeakPolarHBondContact CD1-O 3.23Å; F447-N580 WeakPolarHBondContact CA-O 3.5Å; F447-N580 HydrophobicContact CD1-CB 3.83Å; F447-N580 HydrophobicContact CE1-CB 4.08Å; Y448-N580 PolarHBondContact N-O 3.47Å; L570-N580 HydrophobicContact CD2-CB 4.16Å; L570-N580 WeakPolarHBondContact CD2-ND2 3.41Å; L570-N580 PolarHBondContact O-ND2 3.12Å; N573-N580 WeakPolarHBondContact CB-OD1 3.43Å; N573-N580 PolarHBondContact ND2-OD1 3.16Å; N580-V806 PolarHBondContact ND2-O 3.29Å
581N95.4Very high94.3Very high11 Ų1127.4 Ų27.46%0.05915%0.146CC..  trans-156.7169.1176.656.758.7000108.9Q413 Y414 S628Q413-N581 WeakPolarHBondContact O-CA 3.45Å; Q413-N581 WeakPolarHBondContact O-CB 3.35Å; Y414-N581 HydrophobicContact CD1-CB 4.11Å; Y414-N581 HydrophobicContact CD2-CB 4.04Å; Y414-N581 HydrophobicContact CE1-CB 3.87Å; Y414-N581 HydrophobicContact CE2-CB 3.77Å; Y414-N581 HydrophobicContact CG-CB 4.21Å; Y414-N581 PolarHBondContact OH-ND2 2.73Å; N581-S628 PolarHBondContact O-OG 3.5Å
582V95.9Very high94.1Very high2 Ų227.1 Ų27.11%0.01215%0.145CC..EExtended strand (participates in β ladder)trans-133.9156.2175.8-570000110.2L412 Q413 Y448 I579 H626L412-V582 CarbonylContact C-O 3.59Å; L412-V582 WeakPolarHBondContact CA-O 3.48Å; Q413-V582 HydrophobicContact CB-CG2 3.9Å; Q413-V582 PolarHBondContact N-O 3.13Å; Q413-V582 PolarHBondContact O-N 2.91Å; Y448-V582 HydrophobicContact CD1-CG1 3.96Å; Y448-V582 HydrophobicContact CD2-CG1 4.24Å; Y448-V582 HydrophobicContact CD2-CG2 3.75Å; Y448-V582 HydrophobicContact CE1-CG1 4.14Å; Y448-V582 HydrophobicContact CE2-CG1 4.43Å; Y448-V582 HydrophobicContact CE2-CG2 3.65Å; Y448-V582 HydrophobicContact CG-CG1 4Å; Y448-V582 HydrophobicContact CG-CG2 4.34Å; I579-V582 HydrophobicContact CG2-CG1 3.63Å; V582-H626 HydrophobicContact CB-CB 3.99Å; V582-H626 HydrophobicContact CG1-CB 3.63Å
583L94.9Very high93.9Very high3 Ų335.1 Ų35.12%0.01618%0.182CC..EExtended strand (participates in β ladder)trans-63.6138.9167.7-63.9169.2000109.3P410 L412 P585 R588 Q800 T804P410-L583 HydrophobicContact CB-CD2 3.72Å; P410-L583 HydrophobicContact CG-CD2 3.74Å; L412-L583 HydrophobicContact CD2-CD2 4.02Å; L583-P585 VanDerWaalsContact O-CD 3.29Å; L583-P585 WeakPolarHBondContact O-CD 3.44Å; L583-P585 VanDerWaalsContact O-N 3.15Å; L583-R588 HydrophobicContact CB-CG 4.12Å; L583-Q800 HydrophobicContact CD1-CB 3.92Å; L583-Q800 HydrophobicContact CD2-CB 4.14Å; L583-T804 HydrophobicContact CD1-CG2 3.87Å; L583-T804 HydrophobicContact CD2-CG2 4.23Å; L583-T804 HydrophobicContact CG-CG2 3.87Å
584V94Very high93.7Very high6 Ų639.5 Ų39.54%0.03620%0.203CC..  trans-57.6118.5176167.90000109.6M411 Q413 V432 H586 Q587M411-V584 HydrophobicContact CB-CB 4.26Å; M411-V584 HydrophobicContact CB-CG2 3.62Å; M411-V584 HydrophobicContact CE-CG1 4.48Å; M411-V584 WeakPolarHBondContact O-CG2 3.3Å; M411-V584 PolarHBondContact O-N 2.95Å; M411-V584 VanDerWaalsContact O-N 3.1Å; Q413-V584 HydrophobicContact CB-CG2 4.07Å; V432-V584 HydrophobicContact CG1-CG2 4.37Å; V584-H586 VanDerWaalsContact C-N 3.32Å; V584-H586 VanDerWaalsContact CG1-CE1 3.48Å; V584-H586 WeakPolarHBondContact CG1-CE1 3.36Å; V584-H586 WeakPolarHBondContact CG1-NE2 3.44Å; V584-H586 PolarHBondContact O-N 3.32Å; V584-H586 VanDerWaalsContact O-N 3.14Å; V584-Q587 HydrophobicContact CG1-CG 4.22Å; V584-Q587 PolarHBondContact O-N 3.05Å; V584-Q587 VanDerWaalsContact O-N 3.08Å
585P88.4Confident93.8Very high49 Ų4941.2 Ų41.232%0.31821%0.214SC..G310 helixtrans-58.2-34.9-164.2-32.437.3000116.5Q413 L583 R588Q413-P585 VanDerWaalsContact OE1-CD 3.31Å; L583-P585 VanDerWaalsContact O-CD 3.29Å; L583-P585 WeakPolarHBondContact O-CD 3.44Å; L583-P585 VanDerWaalsContact O-N 3.15Å; P585-R588 PolarHBondContact O-NE 2.93Å
586H86.8Confident93.8Very high152 Ų15241.1 Ų41.170%0.70421%0.214SC*.G310 helixtrans-83.5-5.6-177.164.573.6000114V584V584-H586 VanDerWaalsContact C-N 3.32Å; V584-H586 VanDerWaalsContact CG1-CE1 3.48Å; V584-H586 WeakPolarHBondContact CG1-CE1 3.36Å; V584-H586 WeakPolarHBondContact CG1-NE2 3.44Å; V584-H586 PolarHBondContact O-N 3.32Å; V584-H586 VanDerWaalsContact O-N 3.14Å
587Q88.8Confident93.9Very high77 Ų7739.3 Ų39.336%0.3621%0.205SC..G310 helixtrans-100.12.9173.7-67.6-168.9-33.300112.7M411 V584 Q800M411-Q587 VanDerWaalsContact CE-NE2 3.32Å; V584-Q587 HydrophobicContact CG1-CG 4.22Å; V584-Q587 PolarHBondContact O-N 3.05Å; V584-Q587 VanDerWaalsContact O-N 3.08Å; Q587-Q800 PolarHBondContact O-NE2 3.49Å
588R89.9Confident94.1Very high63 Ų6338.5 Ų38.524%0.23820%0.196CC..SBendtrans-79.9145.7-178.6-66.4-178.3-59.6171.91.7110.6L583 P585 F592 G625L583-R588 HydrophobicContact CB-CG 4.12Å; P585-R588 PolarHBondContact O-NE 2.93Å; R588-F592 HydrophobicContact CB-CB 4.29Å; R588-F592 HydrophobicContact CB-CD2 3.58Å; R588-F592 HydrophobicContact CB-CE2 4.08Å; R588-F592 HydrophobicContact CB-CG 4.02Å; R588-F592 HydrophobicContact CG-CD2 4.29Å; R588-F592 HydrophobicContact CG-CE2 4.43Å; R588-G625 PolarHBondContact NH1-O 3.45Å
589P90.7Very high94.3Very high18 Ų1838.3 Ų38.312%0.11719%0.194CC..  trans-53.3160.8172-28.934.2000114.4V591 F592 E793 L797P589-V591 HydrophobicContact CB-CG1 4.14Å; P589-V591 PolarHBondContact O-N 3.08Å; P589-V591 VanDerWaalsContact O-N 3.17Å; P589-F592 HydrophobicContact CB-CD2 4.48Å; P589-F592 WeakPolarHBondContact O-CD2 3.45Å; P589-F592 PolarHBondContact O-N 3.14Å; P589-E793 HydrophobicContact CB-CG 3.89Å; P589-L797 HydrophobicContact CG-CB 4.04Å; P589-L797 HydrophobicContact CG-CD1 4.29Å
590S92.3Very high94.4Very high61 Ų6137.2 Ų37.243%0.42719%0.188SC..G310 helixtrans-62.3-26.7-175.678.40000113.2F592 Q593 E793S590-F592 PolarHBondContact O-N 2.99Å; S590-Q593 VanDerWaalsContact O-CB 3.28Å; S590-Q593 WeakPolarHBondContact O-CB 3.4Å; S590-Q593 VanDerWaalsContact O-CG 3.29Å; S590-Q593 WeakPolarHBondContact O-CG 3.33Å; S590-Q593 PolarHBondContact O-N 2.92Å; S590-E793 PolarHBondContact N-OE1 3.1Å; S590-E793 PolarHBondContact OG-OE1 3.48Å
591V94.1Very high94.5Very high3 Ų337.2 Ų37.22%0.01819%0.188CC..G310 helixtrans-48.4-30.1174.476.40000113.8P589 Q593 V596 I680 F789 E793 L797P589-V591 HydrophobicContact CB-CG1 4.14Å; P589-V591 PolarHBondContact O-N 3.08Å; P589-V591 VanDerWaalsContact O-N 3.17Å; V591-Q593 VanDerWaalsContact C-N 3.3Å; V591-Q593 PolarHBondContact O-N 3.22Å; V591-V596 HydrophobicContact CG2-CB 4.42Å; V591-V596 HydrophobicContact CG2-CG2 4.08Å; V591-I680 HydrophobicContact CG2-CD1 4.49Å; V591-F789 HydrophobicContact CB-CE1 4.15Å; V591-F789 HydrophobicContact CB-CZ 4.12Å; V591-F789 HydrophobicContact CG2-CE1 4.28Å; V591-F789 HydrophobicContact CG2-CZ 3.74Å; V591-E793 PolarHBondContact N-OE1 3.17Å; V591-L797 HydrophobicContact CG1-CD1 4.17Å; V591-L797 HydrophobicContact CG1-CD2 4.19Å
592F94.6Very high94.5Very high26 Ų2637.3 Ų37.311%0.11419%0.189CC..G310 helixtrans-77.8-7-179.3-72.4-82.3000114.6R588 P589 S590 Q594 V596 F598 P627 L797R588-F592 HydrophobicContact CB-CB 4.29Å; R588-F592 HydrophobicContact CB-CD2 3.58Å; R588-F592 HydrophobicContact CB-CE2 4.08Å; R588-F592 HydrophobicContact CB-CG 4.02Å; R588-F592 HydrophobicContact CG-CD2 4.29Å; R588-F592 HydrophobicContact CG-CE2 4.43Å; P589-F592 HydrophobicContact CB-CD2 4.48Å; P589-F592 WeakPolarHBondContact O-CD2 3.45Å; P589-F592 PolarHBondContact O-N 3.14Å; S590-F592 PolarHBondContact O-N 2.99Å; F592-Q594 PolarHBondContact O-N 2.82Å; F592-V596 HydrophobicContact CD1-CG1 4.26Å; F592-F598 HydrophobicContact CD1-CE2 4.45Å; F592-F598 AromaticContact CE1-CE2 3.52Å; F592-F598 HydrophobicContact CE1-CE2 3.52Å; F592-F598 AromaticContact CE1-CZ 3.69Å; F592-F598 HydrophobicContact CE1-CZ 3.69Å; F592-F598 HydrophobicContact CE2-CZ 4.22Å; F592-F598 AromaticContact CZ-CE2 3.77Å; F592-F598 HydrophobicContact CZ-CE2 3.77Å; F592-F598 AromaticContact CZ-CZ 3.49Å; F592-F598 HydrophobicContact CZ-CZ 3.49Å; F592-F598 VanDerWaalsContact CZ-CZ 3.49Å; F592-P627 VanDerWaalsContact CE1-CD 3.42Å; F592-P627 HydrophobicContact CE1-CG 3.69Å; F592-P627 HydrophobicContact CZ-CG 4Å; F592-L797 HydrophobicContact CE2-CD1 3.58Å; F592-L797 HydrophobicContact CZ-CD1 3.95Å
593Q93.8Very high94.4Very high167 Ų16737.7 Ų37.778%0.7819%0.191SC*.G310 helixtrans-72-20.4178.2-66.7175.72.800112.6S590 V591S590-Q593 VanDerWaalsContact O-CB 3.28Å; S590-Q593 WeakPolarHBondContact O-CB 3.4Å; S590-Q593 VanDerWaalsContact O-CG 3.29Å; S590-Q593 WeakPolarHBondContact O-CG 3.33Å; S590-Q593 PolarHBondContact O-N 2.92Å; V591-Q593 VanDerWaalsContact C-N 3.3Å; V591-Q593 PolarHBondContact O-N 3.22Å
594Q95.4Very high94.1Very high93 Ų9338.5 Ų38.544%0.43520%0.196SC..SBendtrans-120.7160172.2-58.6176.2-14.500109.8F592 V596 T677 R678F592-Q594 PolarHBondContact O-N 2.82Å; Q594-V596 PolarHBondContact O-N 3.44Å; Q594-T677 HydrophobicContact CB-CG2 4.4Å; Q594-T677 VanDerWaalsContact CB-OG1 3.31Å; Q594-T677 WeakPolarHBondContact CB-OG1 3.47Å; Q594-T677 PolarHBondContact OE1-OG1 3.45Å; Q594-R678 VanDerWaalsContact OE1-CZ 3.26Å
595P97.8Very high93.6Very high38 Ų3841.4 Ų41.425%0.24721%0.209CC..  trans-56.8123.4177-25.135000111.3F674 K675 P676 T677 R678P595-F674 HydrophobicContact CB-CB 3.76Å; P595-F674 HydrophobicContact CB-CG 4.39Å; P595-F674 HydrophobicContact CG-CB 3.66Å; P595-F674 HydrophobicContact CG-CD1 3.74Å; P595-F674 HydrophobicContact CG-CG 3.82Å; P595-K675 WeakPolarHBondContact CB-O 3.43Å; P595-P676 CarbonylContact O-C 3.54Å; P595-T677 PolarHBondContact O-N 3.4Å; P595-T677 PolarHBondContact O-OG1 3.2Å; P595-R678 PolarHBondContact O-N 3.42Å
596V98.4Very high93.3Very high10 Ų1040.1 Ų40.16%0.06120%0.201CC..EExtended strand (participates in β ladder)trans-133.1138.5-179.754.90000109.4V591 F592 Q594 F598 R678 I680V591-V596 HydrophobicContact CG2-CB 4.42Å; V591-V596 HydrophobicContact CG2-CG2 4.08Å; F592-V596 HydrophobicContact CD1-CG1 4.26Å; Q594-V596 PolarHBondContact O-N 3.44Å; V596-F598 HydrophobicContact CG1-CE2 3.77Å; V596-F598 HydrophobicContact CG1-CZ 4Å; V596-F598 HydrophobicContact CG2-CE1 4.4Å; V596-F598 HydrophobicContact CG2-CE2 4.13Å; V596-F598 HydrophobicContact CG2-CZ 4Å; V596-R678 WeakPolarHBondContact CA-O 3.48Å; V596-R678 HydrophobicContact CB-CB 4.26Å; V596-R678 HydrophobicContact CG2-CB 3.98Å; V596-I680 HydrophobicContact CG2-CG1 3.72Å
597I98.8Very high92.6Very high0 Ų035.9 Ų35.90%019%0.187CC..EExtended strand (participates in β ladder)trans-109.8130.5172.3-169.5173.9000110.1L599 L665 F668 P676 R678 I679 I680I597-L599 HydrophobicContact CD1-CD2 3.79Å; I597-L599 HydrophobicContact CG1-CD2 3.92Å; I597-L665 HydrophobicContact CD1-CD2 4.35Å; I597-L665 HydrophobicContact CG2-CD2 4.23Å; I597-F668 HydrophobicContact CB-CD2 4.08Å; I597-F668 HydrophobicContact CB-CE2 4.16Å; I597-F668 HydrophobicContact CD1-CB 3.94Å; I597-F668 HydrophobicContact CD1-CD2 3.96Å; I597-F668 HydrophobicContact CD1-CG 4.15Å; I597-F668 HydrophobicContact CG1-CD2 3.91Å; I597-F668 HydrophobicContact CG1-CE2 4.37Å; I597-P676 HydrophobicContact CB-CB 4.17Å; I597-P676 HydrophobicContact CB-CG 3.93Å; I597-P676 HydrophobicContact CG2-CB 3.8Å; I597-P676 HydrophobicContact CG2-CG 3.83Å; I597-R678 PolarHBondContact N-O 3.27Å; I597-R678 VanDerWaalsContact N-O 3.07Å; I597-I679 HydrophobicContact CG2-CB 4.25Å; I597-I679 HydrophobicContact CG2-CG1 3.8Å; I597-I679 HydrophobicContact CG2-CG2 4.25Å; I597-I680 PolarHBondContact O-N 2.88Å
598F98.8Very high91.5Very high1 Ų134.9 Ų34.90%0.00419%0.191CC..EExtended strand (participates in β ladder)trans-98.2117.1173.9-62.1-84.3000109.4F592 V596 G621 S622 P627 I680 L797 L801F592-F598 HydrophobicContact CD1-CE2 4.45Å; F592-F598 AromaticContact CE1-CE2 3.52Å; F592-F598 HydrophobicContact CE1-CE2 3.52Å; F592-F598 AromaticContact CE1-CZ 3.69Å; F592-F598 HydrophobicContact CE1-CZ 3.69Å; F592-F598 HydrophobicContact CE2-CZ 4.22Å; F592-F598 AromaticContact CZ-CE2 3.77Å; F592-F598 HydrophobicContact CZ-CE2 3.77Å; F592-F598 AromaticContact CZ-CZ 3.49Å; F592-F598 HydrophobicContact CZ-CZ 3.49Å; F592-F598 VanDerWaalsContact CZ-CZ 3.49Å; V596-F598 HydrophobicContact CG1-CE2 3.77Å; V596-F598 HydrophobicContact CG1-CZ 4Å; V596-F598 HydrophobicContact CG2-CE1 4.4Å; V596-F598 HydrophobicContact CG2-CE2 4.13Å; V596-F598 HydrophobicContact CG2-CZ 4Å; F598-G621 CarbonylContact O-C 3.01Å; F598-G621 WeakPolarHBondContact O-CA 3.34Å; F598-S622 PolarHBondContact N-OG 3.39Å; F598-S622 PolarHBondContact O-N 2.67Å; F598-P627 HydrophobicContact CD2-CB 3.63Å; F598-P627 HydrophobicContact CD2-CG 3.76Å; F598-P627 HydrophobicContact CE2-CB 4.07Å; F598-P627 HydrophobicContact CE2-CG 3.67Å; F598-P627 HydrophobicContact CG-CB 4.44Å; F598-I680 HydrophobicContact CD1-CB 3.81Å; F598-I680 HydrophobicContact CD1-CG1 4.15Å; F598-I680 HydrophobicContact CD1-CG2 4.2Å; F598-I680 HydrophobicContact CE1-CB 4.06Å; F598-I680 HydrophobicContact CE1-CG1 3.92Å; F598-I680 HydrophobicContact CE1-CG2 4.38Å; F598-L797 HydrophobicContact CE1-CD1 3.85Å; F598-L797 HydrophobicContact CE1-CD2 4.14Å; F598-L797 HydrophobicContact CE1-CG 4.34Å; F598-L797 HydrophobicContact CZ-CD1 4.02Å; F598-L801 HydrophobicContact CD1-CD1 3.7Å; F598-L801 HydrophobicContact CD1-CD2 4.27Å; F598-L801 HydrophobicContact CE1-CD1 3.94Å; F598-L801 HydrophobicContact CE1-CD2 4.43Å; F598-L801 HydrophobicContact CG-CD1 4.49Å; F598-L801 HydrophobicContact CG-CD2 4.41Å
599L98.9Very high90.1Very high1 Ų135.1 Ų35.11%0.00521%0.214CC..EExtended strand (participates in β ladder)trans-104.3141.1177.6-60.9-174.8000110.4I597 V620 V661 L664 I679 I680 Y681 Y682I597-L599 HydrophobicContact CD1-CD2 3.79Å; I597-L599 HydrophobicContact CG1-CD2 3.92Å; L599-V620 CarbonylContact C-O 3.51Å; L599-V620 VanDerWaalsContact CA-O 3.23Å; L599-V620 WeakPolarHBondContact CA-O 3.44Å; L599-V661 HydrophobicContact CD1-CG1 4.33Å; L599-V661 HydrophobicContact CD1-CG2 4.19Å; L599-L664 HydrophobicContact CD2-CD1 3.96Å; L599-I679 HydrophobicContact CD1-CG2 3.62Å; L599-I679 HydrophobicContact CG-CG2 4.12Å; L599-I680 PolarHBondContact N-O 3.02Å; L599-Y681 HydrophobicContact CB-CD2 3.68Å; L599-Y681 HydrophobicContact CB-CE2 4.46Å; L599-Y681 HydrophobicContact CD1-CD2 4.12Å; L599-Y682 PolarHBondContact O-N 3.46Å
600G98.7Very high88.9Confident0 Ų036.3 Ų36.30%022%0.219CC..EExtended strand (participates in β ladder)trans-125.6135.4170.700000110V619 V620 Y682 A821G600-V619 CarbonylContact O-C 3.48Å; G600-V619 VanDerWaalsContact O-CA 3.26Å; G600-V619 WeakPolarHBondContact O-CA 3.37Å; G600-V620 PolarHBondContact N-O 2.89Å; G600-V620 PolarHBondContact O-N 3.4Å; G600-Y682 WeakPolarHBondContact CA-O 3.44Å; G600-A821 WeakPolarHBondContact O-CB 3.43Å
601A98.3Very high87.5Confident0 Ų034 Ų340%021%0.206CC..EExtended strand (participates in β ladder)trans-135.2143.2-178.900000112.1A618 V619 I654 Y681 Y682 G684A601-A618 VanDerWaalsContact CA-O 3.29Å; A601-A618 WeakPolarHBondContact CA-O 3.44Å; A601-V619 HydrophobicContact CB-CG2 4.01Å; A601-I654 HydrophobicContact CB-CD1 3.79Å; A601-Y681 HydrophobicContact CB-CE2 3.55Å; A601-Y681 WeakPolarHBondContact CB-OH 3.29Å; A601-Y682 PolarHBondContact N-O 3.2Å; A601-G684 PolarHBondContact O-N 3.21Å
602D95.6Very high86.5Confident14 Ų1441.2 Ų41.28%0.07524%0.237CC..EExtended strand (participates in β ladder)trans-150.3144.7177-16966.6000110.6T604 A618 A821 R822D602-T604 PolarHBondContact OD2-OG1 2.61Å; D602-A618 PolarHBondContact N-O 2.76Å; D602-A618 PolarHBondContact O-N 2.92Å; D602-A821 HydrophobicContact CB-CB 4.01Å; D602-R822 HydrophobicContact CB-CB 4.41Å
603V92.6Very high85.8Confident9 Ų944.4 Ų44.46%0.05525%0.25CS..EExtended strand (participates in β ladder)trans-114.9124.6171.4178.10000109.2I616 A617 I654V603-I616 WeakPolarHBondContact CA-O 3.34Å; V603-A617 HydrophobicContact CG2-CB 4.11Å; V603-I654 HydrophobicContact CG2-CD1 4.32Å; V603-I654 HydrophobicContact CG2-CG1 3.69Å
604T88.6Confident85.4Confident20 Ų2037 Ų3712%0.12322%0.217CC..EExtended strand (participates in β ladder)trans-111.2111.1178.1-69.20000111.1D602 I616 F826 R829D602-T604 PolarHBondContact OD2-OG1 2.61Å; T604-I616 PolarHBondContact N-O 3.36Å; T604-I616 PolarHBondContact O-N 2.73Å; T604-I616 VanDerWaalsContact O-N 3.07Å; T604-F826 HydrophobicContact CG2-CD1 4.28Å; T604-F826 HydrophobicContact CG2-CE1 4.01Å; T604-R829 PolarHBondContact O-NH2 2.82Å
605H85.3Confident85Confident68 Ų6832.7 Ų32.732%0.31520%0.197SC..PPolyproline II helixtrans-76.4158.3175.3-56.4-57.5000113.4S615 E652H605-S615 PolarHBondContact ND1-OG 2.84Å; H605-E652 IonicContact CE1-OE2 2.66Å; H605-E652 IonicContact NE2-OE2 3.76Å; H605-E652 PolarHBondContact NE2-OE2 3.32Å; H605-E652 VanDerWaalsContact NE2-OE2 3.08Å
606P80.3Confident84.8Confident21 Ų2130.9 Ų30.914%0.13619%0.185CC..PPolyproline II helixtrans-56.9160.1167.5-22.531.8000113.6D610 K613P606-D610 HydrophobicContact CB-CB 4.1Å; P606-K613 HydrophobicContact CB-CB 3.98Å; P606-K613 HydrophobicContact CG-CB 3.83Å; P606-K613 WeakPolarHBondContact CG-O 3.29Å
607P72.8Confident84.6Confident64 Ų6430.4 Ų30.442%0.41618%0.182SC..PPolyproline II helixtrans-53.4147.1168.6-23.534.4000112.2G609 D610P607-G609 PolarHBondContact O-N 3.46Å; P607-D610 WeakPolarHBondContact O-CB 3.3Å; P607-D610 PolarHBondContact O-N 2.82Å
608A65.6Low84.6Confident55 Ų5530.4 Ų30.446%0.45518%0.182SC..THydrogen-bonded Turntrans-58.8131178.700000111.2
609G61.7Low84.6Confident69 Ų6930.3 Ų30.371%0.71118%0.182SC*.THydrogen-bonded Turntrans93.6-10-176.200000114.7P607P607-G609 PolarHBondContact O-N 3.46Å
610D64.6Low84.6Confident42 Ų4230.3 Ų30.323%0.22518%0.182CC..  trans-90105.7171.9-164.8-27000109.7P606 P607 K612 K613P606-D610 HydrophobicContact CB-CB 4.1Å; P607-D610 WeakPolarHBondContact O-CB 3.3Å; P607-D610 PolarHBondContact O-N 2.82Å; D610-K612 PolarHBondContact OD1-N 3.12Å; D610-K612 VanDerWaalsContact OD1-N 3.09Å; D610-K613 PolarHBondContact OD1-N 3.47Å; D610-K613 WeakPolarHBondContact OD2-CD 3.36Å; D610-K613 WeakPolarHBondContact OD2-CE 3.5Å; D610-K613 VanDerWaalsContact OD2-CG 3.32Å; D610-K613 WeakPolarHBondContact OD2-CG 3.44Å; D610-K613 IonicContact OD2-NZ 3.57Å
611G63.8Low84.5Confident14 Ų1430.3 Ų30.314%0.14418%0.182CC..  trans-92-5.4178.700000114.2S639 Q641G611-S639 VanDerWaalsContact C-OG 3.24Å; G611-S639 PolarHBondContact O-OG 3.16Å; G611-Q641 WeakPolarHBondContact O-CG 3.46Å; G611-Q641 PolarHBondContact O-OE1 2.64Å
612K72.1Confident84.6Confident154 Ų15430.3 Ų30.367%0.6718%0.182SC*.SBendtrans-101.9-31.4-171.9-66.1-170.1175.2-164.90113.4D610D610-K612 PolarHBondContact OD1-N 3.12Å; D610-K612 VanDerWaalsContact OD1-N 3.09Å
613K79.9Confident84.6Confident92 Ų9230.2 Ų30.240%0.418%0.181SC..SBendtrans-75144.9-178-69-175.6-169.5176.10111.7P606 D610 S639P606-K613 HydrophobicContact CB-CB 3.98Å; P606-K613 HydrophobicContact CG-CB 3.83Å; P606-K613 WeakPolarHBondContact CG-O 3.29Å; D610-K613 PolarHBondContact OD1-N 3.47Å; D610-K613 WeakPolarHBondContact OD2-CD 3.36Å; D610-K613 WeakPolarHBondContact OD2-CE 3.5Å; D610-K613 VanDerWaalsContact OD2-CG 3.32Å; D610-K613 WeakPolarHBondContact OD2-CG 3.44Å; D610-K613 IonicContact OD2-NZ 3.57Å; K613-S639 WeakPolarHBondContact O-CB 3.46Å; K613-S639 PolarHBondContact O-OG 2.96Å; K613-S639 VanDerWaalsContact O-OG 3.05Å
614P84.6Confident84.7Confident12 Ų1230.8 Ų30.88%0.07818%0.184CC..PPolyproline II helixtrans-74.8158.9177.432.1-37.3000111.9V636 Q637 R829 L832 L857P614-V636 HydrophobicContact CB-CB 4.19Å; P614-V636 HydrophobicContact CG-CB 4.28Å; P614-V636 HydrophobicContact CG-CG1 4.2Å; P614-Q637 WeakPolarHBondContact CB-O 3.5Å; P614-R829 VanDerWaalsContact O-CZ 3.32Å; P614-R829 PolarHBondContact O-NH1 2.61Å; P614-R829 PolarHBondContact O-NH2 3.46Å; P614-L832 HydrophobicContact CG-CD1 4.04Å; P614-L857 HydrophobicContact CG-CD1 4.15Å
615S88.4Confident84.7Confident2 Ų232.1 Ų32.11%0.01420%0.202CC..EExtended strand (participates in β ladder)trans-75.1152.1160.5-640000109.4H605 Q637H605-S615 PolarHBondContact ND1-OG 2.84Å; S615-Q637 PolarHBondContact N-O 2.92Å; S615-Q637 PolarHBondContact O-N 3.19Å
616I92.5Very high84.8Confident0 Ų031 Ų310%020%0.196CC..EExtended strand (participates in β ladder)trans-121.6121.5-179.5-59.1173.9000108.3V603 T604 V634 R635 A825 A828 R829 L832V603-I616 WeakPolarHBondContact CA-O 3.34Å; T604-I616 PolarHBondContact N-O 3.36Å; T604-I616 PolarHBondContact O-N 2.73Å; T604-I616 VanDerWaalsContact O-N 3.07Å; I616-V634 HydrophobicContact CG2-CG2 3.66Å; I616-R635 WeakPolarHBondContact CA-O 3.29Å; I616-A825 HydrophobicContact CG2-CB 4.15Å; I616-A828 HydrophobicContact CD1-CB 4.15Å; I616-A828 HydrophobicContact CG2-CB 3.86Å; I616-R829 HydrophobicContact CD1-CB 3.86Å; I616-L832 HydrophobicContact CD1-CD1 3.84Å; I616-L832 HydrophobicContact CG1-CD1 4.29Å
617A95.4Very high85.1Confident0 Ų030 Ų300%019%0.19CC..EExtended strand (participates in β ladder)trans-99.7136.8172.500000110V603 V634 R635 I654V603-A617 HydrophobicContact CG2-CB 4.11Å; A617-V634 WeakPolarHBondContact O-CA 3.42Å; A617-V634 WeakPolarHBondContact O-CG2 3.46Å; A617-R635 PolarHBondContact N-O 3.37Å; A617-R635 PolarHBondContact O-N 3.08Å; A617-I654 HydrophobicContact CB-CB 4.43Å; A617-I654 HydrophobicContact CB-CG1 4.04Å; A617-I654 HydrophobicContact CB-CG2 3.88Å
618A97.6Very high86Confident0 Ų027.2 Ų27.20%017%0.172CC..EExtended strand (participates in β ladder)trans-134.4137176.700000110.5A601 D602 T633 V634 A821 V824 A825A601-A618 VanDerWaalsContact CA-O 3.29Å; A601-A618 WeakPolarHBondContact CA-O 3.44Å; D602-A618 PolarHBondContact N-O 2.76Å; D602-A618 PolarHBondContact O-N 2.92Å; A618-T633 WeakPolarHBondContact CA-O 3.42Å; A618-V634 HydrophobicContact CB-CG2 4.41Å; A618-A821 VanDerWaalsContact CB-O 3.27Å; A618-A821 WeakPolarHBondContact CB-O 3.39Å; A618-V824 HydrophobicContact CB-CB 3.84Å; A618-V824 HydrophobicContact CB-CG1 3.63Å; A618-A825 HydrophobicContact CB-CB 3.97Å
619V98.6Very high87.5Confident0 Ų028.9 Ų28.90%017%0.166CC..EExtended strand (participates in β ladder)trans-130.5130.7174.6-173.10000108.8G600 A601 T633 I654 L657 M660 L664G600-V619 CarbonylContact O-C 3.48Å; G600-V619 VanDerWaalsContact O-CA 3.26Å; G600-V619 WeakPolarHBondContact O-CA 3.37Å; A601-V619 HydrophobicContact CB-CG2 4.01Å; V619-T633 PolarHBondContact N-O 2.84Å; V619-T633 PolarHBondContact O-N 3.37Å; V619-T633 PolarHBondContact O-OG1 3.42Å; V619-I654 HydrophobicContact CG2-CD1 4.04Å; V619-L657 HydrophobicContact CG2-CD1 3.69Å; V619-M660 HydrophobicContact CB-CB 4.46Å; V619-M660 HydrophobicContact CB-CE 3.86Å; V619-M660 HydrophobicContact CG2-CB 4.41Å; V619-M660 HydrophobicContact CG2-CE 3.58Å; V619-M660 HydrophobicContact CG2-SD 4.09Å; V619-L664 HydrophobicContact CB-CD1 4.25Å; V619-L664 HydrophobicContact CG1-CD1 3.66Å
620V98.7Very high89.2Confident0 Ų025.7 Ų25.70%013%0.133CC..EExtended strand (participates in β ladder)trans-114.7153.2174.2-60.10000110.3L599 G600 Y630 C631 A632 P817 A821 V824L599-V620 CarbonylContact C-O 3.51Å; L599-V620 VanDerWaalsContact CA-O 3.23Å; L599-V620 WeakPolarHBondContact CA-O 3.44Å; G600-V620 PolarHBondContact N-O 2.89Å; G600-V620 PolarHBondContact O-N 3.4Å; V620-Y630 HydrophobicContact CB-CD1 4.25Å; V620-Y630 HydrophobicContact CG2-CD1 4.01Å; V620-C631 CarbonylContact C-O 3.59Å; V620-C631 WeakPolarHBondContact CA-O 3.15Å; V620-C631 WeakPolarHBondContact CB-O 3.27Å; V620-A632 HydrophobicContact CG1-CB 3.97Å; V620-P817 HydrophobicContact CG2-CB 4.26Å; V620-P817 WeakPolarHBondContact CG2-O 3.5Å; V620-A821 HydrophobicContact CG2-CB 4.37Å; V620-V824 HydrophobicContact CG1-CG2 3.87Å
621G98.6Very high90.8Very high0 Ų024.1 Ų24.10%013%0.125CC..EExtended strand (participates in β ladder)trans-133.9140.9173.600000111.8F598 M623 Y630 C631F598-G621 CarbonylContact O-C 3.01Å; F598-G621 WeakPolarHBondContact O-CA 3.34Å; G621-M623 VanDerWaalsContact C-CE 3.46Å; G621-M623 WeakPolarHBondContact O-CE 3.45Å; G621-Y630 CarbonylContact O-C 3.51Å; G621-Y630 WeakPolarHBondContact O-CA 3.19Å; G621-Y630 WeakPolarHBondContact O-CD1 3.28Å; G621-C631 PolarHBondContact N-O 3.49Å; G621-C631 PolarHBondContact O-N 3.41Å
622S98.4Very high92.4Very high0 Ų024.3 Ų24.30%013%0.125CC..EExtended strand (participates in β ladder)trans-63.5145.117259.20000110.4F598 R629 Y630 F668F598-S622 PolarHBondContact N-OG 3.39Å; F598-S622 PolarHBondContact O-N 2.67Å; S622-R629 CarbonylContact C-O 3.6Å; S622-R629 WeakPolarHBondContact CA-O 3.41Å; S622-Y630 VanDerWaalsContact N-CD1 3.31Å; S622-F668 VanDerWaalsContact O-CD2 3.26Å; S622-F668 WeakPolarHBondContact O-CD2 3.3Å
623M97.5Very high93.6Very high12 Ų1217.3 Ų17.36%0.05910%0.095CC..  trans-121.99.5-172.9-61.6-67.9133.700113.6G621 R629 C631 L664 Q667 S671 T672G621-M623 VanDerWaalsContact C-CE 3.46Å; G621-M623 WeakPolarHBondContact O-CE 3.45Å; M623-R629 HydrophobicContact CB-CB 4.39Å; M623-R629 PolarHBondContact N-O 2.98Å; M623-C631 HydrophobicContact CE-CB 3.87Å; M623-C631 HydrophobicContact CG-CB 3.96Å; M623-C631 HydrophobicContact SD-CB 3.99Å; M623-L664 HydrophobicContact CE-CB 4.41Å; M623-L664 HydrophobicContact CE-CD2 3.87Å; M623-Q667 HydrophobicContact SD-CB 4.02Å; M623-Q667 HydrophobicContact SD-CG 3.65Å; M623-S671 WeakPolarHBondContact O-CB 3.44Å; M623-T672 WeakPolarHBondContact O-CG2 3.2Å
624D93.8Very high94.4Very high22 Ų2213.4 Ų13.412%0.1188%0.079CC..SBendtrans-148.3168.1179.560.254.3000110.9H626 P627 S628 R629D624-H626 PolarHBondContact O-N 3.28Å; D624-H626 VanDerWaalsContact OD1-C 3.3Å; D624-H626 VanDerWaalsContact OD1-CA 3.32Å; D624-H626 WeakPolarHBondContact OD1-CA 3.31Å; D624-H626 WeakPolarHBondContact OD1-CB 3.5Å; D624-H626 PolarHBondContact OD1-N 3.41Å; D624-P627 VanDerWaalsContact OD1-CA 3.23Å; D624-P627 WeakPolarHBondContact OD1-CA 3.27Å; D624-P627 VanDerWaalsContact OD1-N 3.1Å; D624-S628 PolarHBondContact OD1-N 3.41Å; D624-S628 PolarHBondContact OD2-N 3.35Å; D624-R629 VanDerWaalsContact OD2-CB 3.3Å; D624-R629 WeakPolarHBondContact OD2-CB 3.33Å; D624-R629 PolarHBondContact OD2-N 2.99Å
625G89.1Confident94.9Very high48 Ų4815.9 Ų15.950%0.4959%0.087SC..SBendtrans-76.8-3.1176.300000114.7R588 P627R588-G625 PolarHBondContact NH1-O 3.45Å; G625-P627 WeakPolarHBondContact O-CD 3.4Å
626H87.5Confident95.1Very high44 Ų4417.2 Ų17.220%0.20410%0.095CC..SBendtrans-969.3177.4-67.6-59.7000113.5Y448 V582 D624 S628Y448-H626 PolarHBondContact OH-NE2 3.5Å; V582-H626 HydrophobicContact CB-CB 3.99Å; V582-H626 HydrophobicContact CG1-CB 3.63Å; D624-H626 PolarHBondContact O-N 3.28Å; D624-H626 VanDerWaalsContact OD1-C 3.3Å; D624-H626 VanDerWaalsContact OD1-CA 3.32Å; D624-H626 WeakPolarHBondContact OD1-CA 3.31Å; D624-H626 WeakPolarHBondContact OD1-CB 3.5Å; D624-H626 PolarHBondContact OD1-N 3.41Å; H626-S628 PolarHBondContact O-N 3.22Å
627P86.8Confident94.7Very high1 Ų117.6 Ų17.61%0.00610%0.097CC..SBendtrans2.366.5-139.422.3-40.4000116.5F592 F598 D624 G625 Y630 L801F592-P627 VanDerWaalsContact CE1-CD 3.42Å; F592-P627 HydrophobicContact CE1-CG 3.69Å; F592-P627 HydrophobicContact CZ-CG 4Å; F598-P627 HydrophobicContact CD2-CB 3.63Å; F598-P627 HydrophobicContact CD2-CG 3.76Å; F598-P627 HydrophobicContact CE2-CB 4.07Å; F598-P627 HydrophobicContact CE2-CG 3.67Å; F598-P627 HydrophobicContact CG-CB 4.44Å; D624-P627 VanDerWaalsContact OD1-CA 3.23Å; D624-P627 WeakPolarHBondContact OD1-CA 3.27Å; D624-P627 VanDerWaalsContact OD1-N 3.1Å; G625-P627 WeakPolarHBondContact O-CD 3.4Å; P627-Y630 WeakPolarHBondContact O-CE2 3.21Å; P627-L801 HydrophobicContact CG-CD2 4.08Å
628S91.6Very high93.5Very high4 Ų420.7 Ų20.73%0.02812%0.115CC..  trans-98.4-48.9177.8-162.70000112.5N581 D624 H626 Y630N581-S628 PolarHBondContact O-OG 3.5Å; D624-S628 PolarHBondContact OD1-N 3.41Å; D624-S628 PolarHBondContact OD2-N 3.35Å; H626-S628 PolarHBondContact O-N 3.22Å; S628-Y630 WeakPolarHBondContact O-CD2 3.42Å
629R95.8Very high91.7Very high91 Ų9121.2 Ų21.234%0.34312%0.119SC..  trans-85.5141.9177.8-65.7-175.658.8164.1-7.5111.5G577 I579 S622 M623 D624G577-R629 PolarHBondContact O-NH1 2.91Å; I579-R629 HydrophobicContact CG1-CG 4.3Å; S622-R629 CarbonylContact C-O 3.6Å; S622-R629 WeakPolarHBondContact CA-O 3.41Å; M623-R629 HydrophobicContact CB-CB 4.39Å; M623-R629 PolarHBondContact N-O 2.98Å; D624-R629 VanDerWaalsContact OD2-CB 3.3Å; D624-R629 WeakPolarHBondContact OD2-CB 3.33Å; D624-R629 PolarHBondContact OD2-N 2.99Å
630Y98.2Very high89.5Confident2 Ų227.6 Ų27.61%0.00814%0.143CC..EExtended strand (participates in β ladder)trans-131.9141.2176.4-73.1-103.4000111.5V620 G621 S622 P627 S628 P817 Y820 M871V620-Y630 HydrophobicContact CB-CD1 4.25Å; V620-Y630 HydrophobicContact CG2-CD1 4.01Å; G621-Y630 CarbonylContact O-C 3.51Å; G621-Y630 WeakPolarHBondContact O-CA 3.19Å; G621-Y630 WeakPolarHBondContact O-CD1 3.28Å; S622-Y630 VanDerWaalsContact N-CD1 3.31Å; P627-Y630 WeakPolarHBondContact O-CE2 3.21Å; S628-Y630 WeakPolarHBondContact O-CD2 3.42Å; Y630-P817 HydrophobicContact CE1-CB 3.77Å; Y630-P817 HydrophobicContact CE1-CG 4.43Å; Y630-Y820 HydrophobicContact CD1-CD2 4.16Å; Y630-Y820 AromaticContact CD2-CD2 3.67Å; Y630-Y820 HydrophobicContact CD2-CD2 3.67Å; Y630-Y820 AromaticContact CD2-CE2 3.4Å; Y630-Y820 HydrophobicContact CD2-CE2 3.4Å; Y630-Y820 HydrophobicContact CE2-CD2 4.09Å; Y630-Y820 AromaticContact CE2-CE2 3.67Å; Y630-Y820 HydrophobicContact CE2-CE2 3.67Å; Y630-Y820 AromaticContact CG-CD2 3.72Å; Y630-Y820 HydrophobicContact CG-CD2 3.72Å; Y630-Y820 AromaticContact CG-CE2 3.96Å; Y630-Y820 HydrophobicContact CG-CE2 3.96Å; Y630-M871 HydrophobicContact CD2-CE 4.44Å; Y630-M871 WeakPolarHBondContact O-CG 3.2Å
631C97.6Very high86.9Confident8 Ų833.8 Ų33.85%0.05417%0.172CC..EExtended strand (participates in β ladder)trans-101.6160.6164-72.70000110.1V620 G621 M623 L664 Q667V620-C631 CarbonylContact C-O 3.59Å; V620-C631 WeakPolarHBondContact CA-O 3.15Å; V620-C631 WeakPolarHBondContact CB-O 3.27Å; G621-C631 PolarHBondContact N-O 3.49Å; G621-C631 PolarHBondContact O-N 3.41Å; M623-C631 HydrophobicContact CE-CB 3.87Å; M623-C631 HydrophobicContact CG-CB 3.96Å; M623-C631 HydrophobicContact SD-CB 3.99Å; C631-L664 HydrophobicContact CB-CD2 4.14Å; C631-Q667 HydrophobicContact CB-CG 4.42Å
632A97.9Very high84.3Confident18 Ų1839.7 Ų39.715%0.14920%0.204CC..EExtended strand (participates in β ladder)trans-129.4143.6-173.900000112.1V620 V824 Y872 F873V620-A632 HydrophobicContact CG1-CB 3.97Å; A632-V824 HydrophobicContact CB-CB 4.46Å; A632-V824 HydrophobicContact CB-CG1 4.08Å; A632-V824 HydrophobicContact CB-CG2 3.51Å; A632-Y872 HydrophobicContact CB-CE1 4.26Å; A632-F873 HydrophobicContact CB-CD1 3.94Å; A632-F873 HydrophobicContact CB-CE1 3.67Å
633T97.9Very high81.8Confident8 Ų841.6 Ų41.65%0.04921%0.213CC..EExtended strand (participates in β ladder)trans-123.7145.3167.158.90000108.1A618 V619 M660 E663 L664A618-T633 WeakPolarHBondContact CA-O 3.42Å; V619-T633 PolarHBondContact N-O 2.84Å; V619-T633 PolarHBondContact O-N 3.37Å; V619-T633 PolarHBondContact O-OG1 3.42Å; T633-M660 WeakPolarHBondContact O-CE 3.46Å; T633-M660 WeakPolarHBondContact OG1-CB 3.2Å; T633-M660 VanDerWaalsContact OG1-CE 3.27Å; T633-M660 WeakPolarHBondContact OG1-CE 3.43Å; T633-E663 HydrophobicContact CG2-CB 4.04Å; T633-E663 WeakPolarHBondContact CG2-OE2 3.46Å; T633-L664 HydrophobicContact CG2-CD2 4.13Å; T633-L664 HydrophobicContact CG2-CG 3.99Å
634V97Very high79.5Confident9 Ų943.9 Ų43.96%0.05523%0.231CC..EExtended strand (participates in β ladder)trans-145.7142.9-176.766.50000110.7I616 A617 A618 V824 A828 V861I616-V634 HydrophobicContact CG2-CG2 3.66Å; A617-V634 WeakPolarHBondContact O-CA 3.42Å; A617-V634 WeakPolarHBondContact O-CG2 3.46Å; A618-V634 HydrophobicContact CB-CG2 4.41Å; V634-V824 HydrophobicContact CB-CG1 3.85Å; V634-V824 HydrophobicContact CG2-CG1 4.13Å; V634-A828 HydrophobicContact CG2-CB 3.61Å; V634-V861 HydrophobicContact CG1-CB 4.31Å; V634-V861 WeakPolarHBondContact CG1-O 3.39Å
635R94.3Very high77.2Confident65 Ų6551.2 Ų51.225%0.24526%0.264CS..EExtended strand (participates in β ladder)trans-141.3148.2-179.1-62.1-65.4-173.7-90.2-2.7111I616 A617 D656 M660 E663I616-R635 WeakPolarHBondContact CA-O 3.29Å; A617-R635 PolarHBondContact N-O 3.37Å; A617-R635 PolarHBondContact O-N 3.08Å; R635-D656 WeakPolarHBondContact CD-OD2 3.31Å; R635-D656 HydrophobicContact CG-CB 4.09Å; R635-D656 IonicContact CZ-OD2 3.43Å; R635-D656 IonicContact NE-OD2 3.87Å; R635-D656 PolarHBondContact NE-OD2 2.9Å; R635-D656 IonicContact NH2-OD2 2.73Å; R635-D656 PolarHBondContact NH2-OD2 3.46Å; R635-M660 HydrophobicContact CB-SD 4.35Å; R635-M660 HydrophobicContact CG-CE 4.22Å; R635-M660 HydrophobicContact CG-CG 4.05Å; R635-M660 HydrophobicContact CG-SD 3.67Å; R635-E663 IonicContact CZ-OE1 3.07Å; R635-E663 IonicContact NH2-OE1 3.29Å; R635-E663 PolarHBondContact NH2-OE1 2.89Å; R635-E663 IonicContact NH2-OE2 2.83Å
636V91.8Very high75Confident30 Ų3056.9 Ų56.918%0.18228%0.278CS..EExtended strand (participates in β ladder)trans-91.6140.3165.3-660000108.6P614 L832 L857 A858 V861P614-V636 HydrophobicContact CB-CB 4.19Å; P614-V636 HydrophobicContact CG-CB 4.28Å; P614-V636 HydrophobicContact CG-CG1 4.2Å; V636-L832 HydrophobicContact CG1-CD1 4.07Å; V636-L857 HydrophobicContact CG2-CB 4.03Å; V636-A858 HydrophobicContact CG2-CB 4.09Å; V636-V861 HydrophobicContact CG1-CG1 3.89Å; V636-V861 HydrophobicContact CG1-CG2 3.97Å
637Q85.5Confident73.1Confident8 Ų859.1 Ų59.14%0.03729%0.288CS..EExtended strand (participates in β ladder)trans-136.2155174.462.4-17258.800111.2P614 S615 Q651 V653 Q655P614-Q637 WeakPolarHBondContact CB-O 3.5Å; S615-Q637 PolarHBondContact N-O 2.92Å; S615-Q637 PolarHBondContact O-N 3.19Å; Q637-Q651 PolarHBondContact NE2-O 3.16Å; Q637-V653 PolarHBondContact NE2-O 2.77Å; Q637-Q655 HydrophobicContact CB-CG 4.44Å
638T69.6Low71.4Confident64 Ų6462.6 Ų62.639%0.39331%0.306SS..  trans-55.6150.5-160.6-40.90000115.1D642T638-D642 HydrophobicContact CG2-CB 4.27Å
639S58.8Low69.5Low11 Ų1167.4 Ų67.48%0.07733%0.327CS..  trans-84.2166.7-176.4-172.20000113.9G611 K613 Q641 Q651G611-S639 VanDerWaalsContact C-OG 3.24Å; G611-S639 PolarHBondContact O-OG 3.16Å; K613-S639 WeakPolarHBondContact O-CB 3.46Å; K613-S639 PolarHBondContact O-OG 2.96Å; K613-S639 VanDerWaalsContact O-OG 3.05Å; S639-Q641 PolarHBondContact O-N 3.36Å; S639-Q641 VanDerWaalsContact O-N 3.14Å; S639-Q651 VanDerWaalsContact C-NE2 3.33Å; S639-Q651 PolarHBondContact O-NE2 2.91Å
640R53.4Low67.6Low135 Ų13565.2 Ų65.251%0.50933%0.325SS..THydrogen-bonded Turntrans-57.3-15.5-179.8-85.9-178173.5171.4-1.7117.1Q651R640-Q651 VanDerWaalsContact CA-NE2 3.34Å
641Q44.3Very low66.3Low129 Ų12965.5 Ų65.560%0.60333%0.327SS*.THydrogen-bonded Turntrans-92-22.3-170.9-77.4-176.5-29.200114.5G611 S639G611-Q641 WeakPolarHBondContact O-CG 3.46Å; G611-Q641 PolarHBondContact O-OE1 2.64Å; S639-Q641 PolarHBondContact O-N 3.36Å; S639-Q641 VanDerWaalsContact O-N 3.14Å
642D43.7Very low65.7Low124 Ų12465.5 Ų65.566%0.66333%0.326SS*.SBendtrans-97.416.3-171.5-57.7-40.4000113.7T638T638-D642 HydrophobicContact CG2-CB 4.27Å
643M46.6Very low65.3Low40 Ų4065.8 Ų65.820%0.19733%0.326CS..SBendtrans-133134.6-164.3-64.6-88.3-81.300111.4Q647 S650 Q651M643-Q647 HydrophobicContact CB-CB 3.83Å; M643-Q647 HydrophobicContact CE-CB 3.5Å; M643-Q647 HydrophobicContact CE-CG 4.23Å; M643-Q647 WeakPolarHBondContact CE-O 3.28Å; M643-Q647 HydrophobicContact CG-CB 4.41Å; M643-Q647 HydrophobicContact SD-CB 3.83Å; M643-Q647 HydrophobicContact SD-CG 4.3Å; M643-S650 WeakPolarHBondContact CE-OG 3.41Å; M643-Q651 HydrophobicContact CE-CG 4.38Å
644S48.7Very low65.1Low61 Ų6165.6 Ų65.643%0.42733%0.325SS..  trans-64.6167.1172.769.90000111.5E646 Q647 L648S644-E646 PolarHBondContact O-N 3.24Å; S644-Q647 WeakPolarHBondContact O-CB 3.16Å; S644-Q647 PolarHBondContact O-N 3.19Å; S644-L648 PolarHBondContact O-N 3.47Å
645Q44.9Very low64.9Low175 Ų17570.1 Ų70.182%0.81835%0.345SS*.THydrogen-bonded Turntrans-62-27.2-176.4-141.1169.818.700113.3Q647Q645-Q647 VanDerWaalsContact C-N 3.33Å
646E43.8Very low64.9Low168 Ų16869.2 Ų69.279%0.78535%0.345SS*.THydrogen-bonded Turntrans-76.2-16.8172.9-75.2179.1150.900113.6S644 F649S644-E646 PolarHBondContact O-N 3.24Å; E646-F649 WeakPolarHBondContact O-CD2 3.49Å
647Q47.7Very low65.2Low91 Ų9167.8 Ų67.843%0.42534%0.336SS..THydrogen-bonded Turntrans-97.6-11.3-175.8-86.2-178.9-17.500113.4M643 S644 Q645 F649 S650M643-Q647 HydrophobicContact CB-CB 3.83Å; M643-Q647 HydrophobicContact CE-CB 3.5Å; M643-Q647 HydrophobicContact CE-CG 4.23Å; M643-Q647 WeakPolarHBondContact CE-O 3.28Å; M643-Q647 HydrophobicContact CG-CB 4.41Å; M643-Q647 HydrophobicContact SD-CB 3.83Å; M643-Q647 HydrophobicContact SD-CG 4.3Å; S644-Q647 WeakPolarHBondContact O-CB 3.16Å; S644-Q647 PolarHBondContact O-N 3.19Å; Q645-Q647 VanDerWaalsContact C-N 3.33Å; Q647-F649 PolarHBondContact O-N 2.83Å; Q647-S650 PolarHBondContact O-N 3.47Å; Q647-S650 VanDerWaalsContact O-N 3.11Å; Q647-S650 PolarHBondContact O-OG 2.87Å
648L50.7Low65.8Low74 Ų7469.1 Ų69.139%0.38735%0.346SS..G310 helixtrans-56.5-24.6174.3-92120.1000113.7S644S644-L648 PolarHBondContact O-N 3.47Å
649F50.8Low67.2Low104 Ų10469.8 Ų69.846%0.45635%0.346SS..G310 helixtrans-72.6-30.3179.4-55.7-75.5000113.3E646 Q647 Q651E646-F649 WeakPolarHBondContact O-CD2 3.49Å; Q647-F649 PolarHBondContact O-N 2.83Å; F649-Q651 PolarHBondContact O-N 2.84Å
650S57.5Low69Low45 Ų4569.2 Ų69.232%0.31534%0.343SS..G310 helixtrans-77.80.1-178.368.60000114.1M643 Q647M643-S650 WeakPolarHBondContact CE-OG 3.41Å; Q647-S650 PolarHBondContact O-N 3.47Å; Q647-S650 VanDerWaalsContact O-N 3.11Å; Q647-S650 PolarHBondContact O-OG 2.87Å
651Q69.5Low71.2Confident9 Ų962.8 Ų62.84%0.04232%0.319CS..G310 helixtrans-79.4-25.6176.1-64.1-166.2-12.300113.8Q637 S639 R640 M643 F649Q637-Q651 PolarHBondContact NE2-O 3.16Å; S639-Q651 VanDerWaalsContact C-NE2 3.33Å; S639-Q651 PolarHBondContact O-NE2 2.91Å; R640-Q651 VanDerWaalsContact CA-NE2 3.34Å; M643-Q651 HydrophobicContact CE-CG 4.38Å; F649-Q651 PolarHBondContact O-N 2.84Å
652E84.8Confident73.8Confident7 Ų760.7 Ų60.73%0.03331%0.305CS..THydrogen-bonded Turntrans-79.8-32.2175.2-170.760.3-137.800110H605 I654 R683 V686 V694H605-E652 IonicContact CE1-OE2 2.66Å; H605-E652 IonicContact NE2-OE2 3.76Å; H605-E652 PolarHBondContact NE2-OE2 3.32Å; H605-E652 VanDerWaalsContact NE2-OE2 3.08Å; E652-I654 PolarHBondContact O-N 3.06Å; E652-R683 PolarHBondContact O-NH2 2.86Å; E652-R683 IonicContact OE1-CZ 3.96Å; E652-R683 IonicContact OE1-NH1 3.02Å; E652-R683 PolarHBondContact OE1-NH1 3.43Å; E652-R683 IonicContact OE1-NH2 3.47Å; E652-R683 PolarHBondContact OE1-NH2 3.23Å; E652-V686 HydrophobicContact CG-CG1 4.49Å; E652-V686 HydrophobicContact CG-CG2 4.06Å; E652-V694 HydrophobicContact CB-CG2 3.91Å; E652-V694 HydrophobicContact CG-CG2 3.8Å
653V90.7Very high76.4Confident25 Ų2559 Ų5915%0.15229%0.293CS..SBendtrans-62.2130.2176.3-175.50000110.3Q637 Q655 V694 P697 E698Q637-V653 PolarHBondContact NE2-O 2.77Å; V653-Q655 PolarHBondContact O-N 3.46Å; V653-Q655 VanDerWaalsContact O-N 3.14Å; V653-V694 HydrophobicContact CG2-CG2 4.17Å; V653-P697 HydrophobicContact CG1-CB 4.07Å; V653-P697 HydrophobicContact CG1-CG 3.86Å; V653-P697 HydrophobicContact CG2-CG 4Å; V653-E698 HydrophobicContact CG1-CG 4.23Å
654I94.1Very high78.9Confident4 Ų457.2 Ų57.22%0.02128%0.284CS..  trans-73.8105.1173.5-60.7174.8000109A601 V603 A617 V619 E652 D656 L657 M660 E698A601-I654 HydrophobicContact CB-CD1 3.79Å; V603-I654 HydrophobicContact CG2-CD1 4.32Å; V603-I654 HydrophobicContact CG2-CG1 3.69Å; A617-I654 HydrophobicContact CB-CB 4.43Å; A617-I654 HydrophobicContact CB-CG1 4.04Å; A617-I654 HydrophobicContact CB-CG2 3.88Å; V619-I654 HydrophobicContact CG2-CD1 4.04Å; E652-I654 PolarHBondContact O-N 3.06Å; I654-D656 PolarHBondContact O-N 3.38Å; I654-L657 HydrophobicContact CB-CB 4.05Å; I654-L657 HydrophobicContact CB-CD1 4.49Å; I654-L657 HydrophobicContact CD1-CD1 4.42Å; I654-L657 HydrophobicContact CG2-CB 3.78Å; I654-L657 HydrophobicContact CG2-CD1 4.15Å; I654-L657 WeakPolarHBondContact O-CB 3.36Å; I654-L657 PolarHBondContact O-N 2.67Å; I654-M660 HydrophobicContact CG2-SD 3.79Å; I654-E698 PolarHBondContact N-OE1 3.26Å; I654-E698 VanDerWaalsContact N-OE1 3.14Å
655Q91.8Very high81.2Confident103 Ų10354.7 Ų54.748%0.48127%0.266SS..THydrogen-bonded Turntrans-64.6-39.4-170.3-65.7-179.8-900113.1Q637 V653Q637-Q655 HydrophobicContact CB-CG 4.44Å; V653-Q655 PolarHBondContact O-N 3.46Å; V653-Q655 VanDerWaalsContact O-N 3.14Å
656D94.8Very high83.8Confident46 Ų4649.3 Ų49.325%0.24624%0.242CC..THydrogen-bonded Turntrans-101.926.3-176.6-16637.4000112.9R635 I654 T658 N659 M660R635-D656 WeakPolarHBondContact CD-OD2 3.31Å; R635-D656 HydrophobicContact CG-CB 4.09Å; R635-D656 IonicContact CZ-OD2 3.43Å; R635-D656 IonicContact NE-OD2 3.87Å; R635-D656 PolarHBondContact NE-OD2 2.9Å; R635-D656 IonicContact NH2-OD2 2.73Å; R635-D656 PolarHBondContact NH2-OD2 3.46Å; I654-D656 PolarHBondContact O-N 3.38Å; D656-T658 VanDerWaalsContact C-N 3.26Å; D656-T658 PolarHBondContact O-N 3.01Å; D656-N659 PolarHBondContact O-N 3.45Å; D656-N659 WeakPolarHBondContact OD1-CB 3.43Å; D656-N659 PolarHBondContact OD1-ND2 3.34Å; D656-M660 VanDerWaalsContact O-CG 3.3Å; D656-M660 WeakPolarHBondContact O-CG 3.18Å; D656-M660 PolarHBondContact O-N 3.06Å; D656-M660 VanDerWaalsContact O-N 3.14Å
657L97.8Very high86.3Confident0 Ų042.6 Ų42.60%021%0.211CC..Hα-helixtrans-59.4-36.2-173.5-175.360.7000112.6V619 I654 N659 M660 V661 Y681 E698 A701 I702V619-L657 HydrophobicContact CG2-CD1 3.69Å; I654-L657 HydrophobicContact CB-CB 4.05Å; I654-L657 HydrophobicContact CB-CD1 4.49Å; I654-L657 HydrophobicContact CD1-CD1 4.42Å; I654-L657 HydrophobicContact CG2-CB 3.78Å; I654-L657 HydrophobicContact CG2-CD1 4.15Å; I654-L657 WeakPolarHBondContact O-CB 3.36Å; I654-L657 PolarHBondContact O-N 2.67Å; L657-N659 PolarHBondContact O-N 2.94Å; L657-M660 PolarHBondContact O-N 3.37Å; L657-V661 HydrophobicContact CD1-CG2 3.69Å; L657-V661 HydrophobicContact CG-CG2 4Å; L657-V661 WeakPolarHBondContact O-CB 3.24Å; L657-V661 VanDerWaalsContact O-CG2 3.29Å; L657-V661 WeakPolarHBondContact O-CG2 3.34Å; L657-V661 PolarHBondContact O-N 3.49Å; L657-Y681 HydrophobicContact CD1-CE2 4.45Å; L657-E698 HydrophobicContact CD2-CB 3.51Å; L657-E698 HydrophobicContact CD2-CG 3.69Å; L657-E698 WeakPolarHBondContact CD2-O 3.46Å; L657-A701 HydrophobicContact CB-CB 3.88Å; L657-A701 HydrophobicContact CD2-CB 4.18Å; L657-A701 HydrophobicContact CG-CB 4.19Å; L657-I702 HydrophobicContact CD2-CD1 4.43Å; L657-I702 HydrophobicContact CD2-CG1 4.05Å; L657-I702 HydrophobicContact CG-CG1 4.46Å
658T98.3Very high88.7Confident37 Ų3738.5 Ų38.523%0.22719%0.191CC..Hα-helixtrans-54.5-50.9178.4-54.10000111.4D656 R662 A701 K704 A705D656-T658 VanDerWaalsContact C-N 3.26Å; D656-T658 PolarHBondContact O-N 3.01Å; T658-R662 VanDerWaalsContact O-CB 3.3Å; T658-R662 WeakPolarHBondContact O-CB 3.35Å; T658-R662 PolarHBondContact O-N 3.16Å; T658-A701 WeakPolarHBondContact OG1-CA 3.11Å; T658-A701 WeakPolarHBondContact OG1-CB 3.36Å; T658-K704 HydrophobicContact CG2-CB 3.9Å; T658-A705 HydrophobicContact CG2-CB 4.24Å; T658-A705 VanDerWaalsContact O-CB 3.23Å; T658-A705 WeakPolarHBondContact O-CB 3.48Å
659N98Very high91Very high77 Ų7740 Ų4041%0.41219%0.193SC..Hα-helixtrans-72.5-40.3-178-68.6-43000111.5D656 L657 V661 R662 E663D656-N659 PolarHBondContact O-N 3.45Å; D656-N659 WeakPolarHBondContact OD1-CB 3.43Å; D656-N659 PolarHBondContact OD1-ND2 3.34Å; L657-N659 PolarHBondContact O-N 2.94Å; N659-V661 VanDerWaalsContact C-N 3.34Å; N659-V661 PolarHBondContact O-N 2.79Å; N659-R662 WeakPolarHBondContact O-CB 3.37Å; N659-R662 PolarHBondContact O-N 2.84Å; N659-E663 WeakPolarHBondContact O-CG 3.32Å; N659-E663 PolarHBondContact O-N 3.39Å
660M98.4Very high93.2Very high0 Ų040.8 Ų40.80%020%0.196CC..Hα-helixtrans-57.9-45.3176.3-6817683.500111.9V619 T633 R635 I654 D656 L657 L664V619-M660 HydrophobicContact CB-CB 4.46Å; V619-M660 HydrophobicContact CB-CE 3.86Å; V619-M660 HydrophobicContact CG2-CB 4.41Å; V619-M660 HydrophobicContact CG2-CE 3.58Å; V619-M660 HydrophobicContact CG2-SD 4.09Å; T633-M660 WeakPolarHBondContact O-CE 3.46Å; T633-M660 WeakPolarHBondContact OG1-CB 3.2Å; T633-M660 VanDerWaalsContact OG1-CE 3.27Å; T633-M660 WeakPolarHBondContact OG1-CE 3.43Å; R635-M660 HydrophobicContact CB-SD 4.35Å; R635-M660 HydrophobicContact CG-CE 4.22Å; R635-M660 HydrophobicContact CG-CG 4.05Å; R635-M660 HydrophobicContact CG-SD 3.67Å; I654-M660 HydrophobicContact CG2-SD 3.79Å; D656-M660 VanDerWaalsContact O-CG 3.3Å; D656-M660 WeakPolarHBondContact O-CG 3.18Å; D656-M660 PolarHBondContact O-N 3.06Å; D656-M660 VanDerWaalsContact O-N 3.14Å; L657-M660 PolarHBondContact O-N 3.37Å; M660-L664 WeakPolarHBondContact O-CG 3.42Å; M660-L664 PolarHBondContact O-N 3.44Å
661V98.8Very high95Very high0 Ų041.5 Ų41.50%020%0.201CC..Hα-helixtrans-69.5-41.6177.2173.40000111L599 L657 N659 E663 L664 L665 I702 A705L599-V661 HydrophobicContact CD1-CG1 4.33Å; L599-V661 HydrophobicContact CD1-CG2 4.19Å; L657-V661 HydrophobicContact CD1-CG2 3.69Å; L657-V661 HydrophobicContact CG-CG2 4Å; L657-V661 WeakPolarHBondContact O-CB 3.24Å; L657-V661 VanDerWaalsContact O-CG2 3.29Å; L657-V661 WeakPolarHBondContact O-CG2 3.34Å; L657-V661 PolarHBondContact O-N 3.49Å; N659-V661 VanDerWaalsContact C-N 3.34Å; N659-V661 PolarHBondContact O-N 2.79Å; V661-E663 VanDerWaalsContact C-N 3.34Å; V661-E663 PolarHBondContact O-N 3.04Å; V661-L664 PolarHBondContact O-N 3.48Å; V661-L665 HydrophobicContact CG1-CD1 3.83Å; V661-L665 HydrophobicContact CG1-CG 4.14Å; V661-L665 WeakPolarHBondContact O-CG 3.29Å; V661-L665 PolarHBondContact O-N 3.08Å; V661-I702 HydrophobicContact CG1-CG2 4.43Å; V661-I702 HydrophobicContact CG2-CG1 4.18Å; V661-A705 HydrophobicContact CB-CB 3.87Å; V661-A705 HydrophobicContact CG1-CB 3.77Å
662R98.6Very high96.3Very high85 Ų8542.4 Ų42.432%0.32121%0.207SC..Hα-helixtrans-55.7-47.9175.8-177-172172.3100.51111.6T658 N659 L664 L665 I666 A705 S708 L709T658-R662 VanDerWaalsContact O-CB 3.3Å; T658-R662 WeakPolarHBondContact O-CB 3.35Å; T658-R662 PolarHBondContact O-N 3.16Å; N659-R662 WeakPolarHBondContact O-CB 3.37Å; N659-R662 PolarHBondContact O-N 2.84Å; R662-L664 VanDerWaalsContact C-N 3.34Å; R662-L664 PolarHBondContact O-N 3.35Å; R662-L665 PolarHBondContact O-N 3.09Å; R662-I666 HydrophobicContact CG-CD1 4.09Å; R662-I666 WeakPolarHBondContact O-CG1 3.48Å; R662-I666 PolarHBondContact O-N 2.74Å; R662-A705 HydrophobicContact CB-CB 4.31Å; R662-S708 PolarHBondContact NH1-O 3.02Å; R662-S708 PolarHBondContact NH1-OG 2.84Å; R662-L709 HydrophobicContact CG-CD1 4.39Å; R662-L709 HydrophobicContact CG-CD2 3.74Å; R662-L709 HydrophobicContact CG-CG 4.04Å
663E97.9Very high96.9Very high89 Ų8950.5 Ų50.542%0.41624%0.237SC..Hα-helixtrans-57.7-45.2176.5-75.1174.7-146.700111.8T633 R635 N659 V661 I666 Q667T633-E663 HydrophobicContact CG2-CB 4.04Å; T633-E663 WeakPolarHBondContact CG2-OE2 3.46Å; R635-E663 IonicContact CZ-OE1 3.07Å; R635-E663 IonicContact NH2-OE1 3.29Å; R635-E663 PolarHBondContact NH2-OE1 2.89Å; R635-E663 IonicContact NH2-OE2 2.83Å; N659-E663 WeakPolarHBondContact O-CG 3.32Å; N659-E663 PolarHBondContact O-N 3.39Å; V661-E663 VanDerWaalsContact C-N 3.34Å; V661-E663 PolarHBondContact O-N 3.04Å; E663-I666 PolarHBondContact O-N 2.79Å; E663-Q667 WeakPolarHBondContact O-CB 3.46Å; E663-Q667 PolarHBondContact O-N 2.75Å
664L98.6Very high97.3Very high2 Ų255.3 Ų55.31%0.0126%0.257CS..Hα-helixtrans-67.7-38.4179.9-68171.3000112.7L599 V619 M623 C631 T633 M660 V661 R662 Q667 F668L599-L664 HydrophobicContact CD2-CD1 3.96Å; V619-L664 HydrophobicContact CB-CD1 4.25Å; V619-L664 HydrophobicContact CG1-CD1 3.66Å; M623-L664 HydrophobicContact CE-CB 4.41Å; M623-L664 HydrophobicContact CE-CD2 3.87Å; C631-L664 HydrophobicContact CB-CD2 4.14Å; T633-L664 HydrophobicContact CG2-CD2 4.13Å; T633-L664 HydrophobicContact CG2-CG 3.99Å; M660-L664 WeakPolarHBondContact O-CG 3.42Å; M660-L664 PolarHBondContact O-N 3.44Å; V661-L664 PolarHBondContact O-N 3.48Å; R662-L664 VanDerWaalsContact C-N 3.34Å; R662-L664 PolarHBondContact O-N 3.35Å; L664-Q667 PolarHBondContact O-N 2.83Å; L664-F668 WeakPolarHBondContact O-CB 3.08Å; L664-F668 PolarHBondContact O-N 3.45Å
665L98.7Very high97.5Very high7 Ų759.8 Ų59.84%0.03728%0.276CS..Hα-helixtrans-65.5-43.6175.8-71.8172.6000111.7I597 V661 R662 Q667 F668 Y669 P676 I679 L709 Y713I597-L665 HydrophobicContact CD1-CD2 4.35Å; I597-L665 HydrophobicContact CG2-CD2 4.23Å; V661-L665 HydrophobicContact CG1-CD1 3.83Å; V661-L665 HydrophobicContact CG1-CG 4.14Å; V661-L665 WeakPolarHBondContact O-CG 3.29Å; V661-L665 PolarHBondContact O-N 3.08Å; R662-L665 PolarHBondContact O-N 3.09Å; L665-Q667 VanDerWaalsContact C-N 3.31Å; L665-Q667 PolarHBondContact O-N 3.13Å; L665-F668 PolarHBondContact O-N 2.88Å; L665-Y669 PolarHBondContact O-N 2.86Å; L665-P676 HydrophobicContact CD2-CG 3.9Å; L665-I679 HydrophobicContact CD2-CD1 4.33Å; L665-L709 HydrophobicContact CB-CD1 3.66Å; L665-L709 HydrophobicContact CD1-CD1 3.74Å; L665-L709 HydrophobicContact CG-CD1 4.37Å; L665-Y713 HydrophobicContact CD1-CE1 4.27Å
666I98.3Very high97.8Very high62 Ų6255 Ų5532%0.31825%0.254SS..Hα-helixtrans-59.6-45.6173.6-68.7167.3000109.9R662 E663 Y669 K670 L709R662-I666 HydrophobicContact CG-CD1 4.09Å; R662-I666 WeakPolarHBondContact O-CG1 3.48Å; R662-I666 PolarHBondContact O-N 2.74Å; E663-I666 PolarHBondContact O-N 2.79Å; I666-Y669 PolarHBondContact O-N 3.07Å; I666-K670 HydrophobicContact CG2-CD 4.19Å; I666-K670 WeakPolarHBondContact O-CG 3.38Å; I666-K670 PolarHBondContact O-N 3.14Å; I666-L709 HydrophobicContact CD1-CD2 3.8Å; I666-L709 HydrophobicContact CG1-CD2 3.61Å
667Q97.7Very high97.9Very high27 Ų2755.4 Ų55.413%0.12626%0.258CS..Hα-helixtrans-68.2-36.1-178.9-171.256.627.600112.7M623 C631 E663 L664 L665 K670 S671 H869M623-Q667 HydrophobicContact SD-CB 4.02Å; M623-Q667 HydrophobicContact SD-CG 3.65Å; C631-Q667 HydrophobicContact CB-CG 4.42Å; E663-Q667 WeakPolarHBondContact O-CB 3.46Å; E663-Q667 PolarHBondContact O-N 2.75Å; L664-Q667 PolarHBondContact O-N 2.83Å; L665-Q667 VanDerWaalsContact C-N 3.31Å; L665-Q667 PolarHBondContact O-N 3.13Å; Q667-K670 PolarHBondContact O-N 3.3Å; Q667-S671 PolarHBondContact NE2-OG 2.89Å; Q667-S671 WeakPolarHBondContact O-CB 3.46Å; Q667-S671 PolarHBondContact O-N 3.28Å; Q667-S671 PolarHBondContact O-OG 2.97Å; Q667-H869 VanDerWaalsContact CD-CE1 3.48Å; Q667-H869 PolarHBondContact NE2-ND1 3Å; Q667-H869 PolarHBondContact OE1-CE1 3.31Å; Q667-H869 PolarHBondContact OE1-ND1 3.36Å
668F98.2Very high98Very high5 Ų558 Ų582%0.02227%0.268CS..Hα-helixtrans-60-48.1172.6-178.2-85.2000110.9I597 S622 L664 L665 K670 S671 T672 F674 P676I597-F668 HydrophobicContact CB-CD2 4.08Å; I597-F668 HydrophobicContact CB-CE2 4.16Å; I597-F668 HydrophobicContact CD1-CB 3.94Å; I597-F668 HydrophobicContact CD1-CD2 3.96Å; I597-F668 HydrophobicContact CD1-CG 4.15Å; I597-F668 HydrophobicContact CG1-CD2 3.91Å; I597-F668 HydrophobicContact CG1-CE2 4.37Å; S622-F668 VanDerWaalsContact O-CD2 3.26Å; S622-F668 WeakPolarHBondContact O-CD2 3.3Å; L664-F668 WeakPolarHBondContact O-CB 3.08Å; L664-F668 PolarHBondContact O-N 3.45Å; L665-F668 PolarHBondContact O-N 2.88Å; F668-K670 PolarHBondContact O-N 3.11Å; F668-S671 PolarHBondContact O-N 3.09Å; F668-T672 HydrophobicContact CD1-CG2 4.41Å; F668-T672 WeakPolarHBondContact CD1-OG1 3.31Å; F668-T672 HydrophobicContact CD2-CG2 4.3Å; F668-T672 HydrophobicContact CE1-CG2 4.15Å; F668-T672 VanDerWaalsContact CE1-OG1 3.23Å; F668-T672 WeakPolarHBondContact CE1-OG1 3.47Å; F668-T672 HydrophobicContact CE2-CG2 4.04Å; F668-T672 HydrophobicContact CG-CG2 4.49Å; F668-T672 HydrophobicContact CZ-CG2 3.97Å; F668-T672 WeakPolarHBondContact O-CB 3.38Å; F668-T672 PolarHBondContact O-N 3.33Å; F668-T672 PolarHBondContact O-OG1 3.25Å; F668-F674 VanDerWaalsContact CD1-O 3.26Å; F668-F674 WeakPolarHBondContact CD1-O 3.49Å; F668-F674 HydrophobicContact CE1-CB 4.34Å; F668-F674 WeakPolarHBondContact CE1-O 3.24Å; F668-P676 HydrophobicContact CD1-CG 3.49Å; F668-P676 VanDerWaalsContact CD1-CG 3.49Å; F668-P676 HydrophobicContact CE1-CG 3.61Å; F668-P676 HydrophobicContact CG-CG 4.03Å; F668-P676 HydrophobicContact CZ-CG 4.23Å
669Y98.1Very high98Very high107 Ų10756.3 Ų56.342%0.4226%0.257SS..Hα-helixtrans-62.6-41.7177.6-178-103.6000111.9L665 I666 S671 R673 K675L665-Y669 PolarHBondContact O-N 2.86Å; I666-Y669 PolarHBondContact O-N 3.07Å; Y669-S671 VanDerWaalsContact C-N 3.28Å; Y669-S671 PolarHBondContact O-N 3.18Å; Y669-R673 WeakPolarHBondContact O-CA 3.33Å; Y669-R673 PolarHBondContact O-N 3.43Å; Y669-K675 HydrophobicContact CD2-CG 4Å; Y669-K675 HydrophobicContact CE2-CG 4.18Å
670K96.9Very high98Very high120 Ų12052.6 Ų52.652%0.52224%0.238SC..Hα-helixtrans-60.1-38.5174.4-74.4176.6178.6-179.70112.5I666 Q667 F668I666-K670 HydrophobicContact CG2-CD 4.19Å; I666-K670 WeakPolarHBondContact O-CG 3.38Å; I666-K670 PolarHBondContact O-N 3.14Å; Q667-K670 PolarHBondContact O-N 3.3Å; F668-K670 PolarHBondContact O-N 3.11Å
671S95.8Very high98.1Very high60 Ų6052.6 Ų52.642%0.4224%0.238SC..Hα-helixtrans-81.6-33.7-175.1-53.20000113.1M623 Q667 F668 Y669M623-S671 WeakPolarHBondContact O-CB 3.44Å; Q667-S671 PolarHBondContact NE2-OG 2.89Å; Q667-S671 WeakPolarHBondContact O-CB 3.46Å; Q667-S671 PolarHBondContact O-N 3.28Å; Q667-S671 PolarHBondContact O-OG 2.97Å; F668-S671 PolarHBondContact O-N 3.09Å; Y669-S671 VanDerWaalsContact C-N 3.28Å; Y669-S671 PolarHBondContact O-N 3.18Å
672T96.7Very high98.1Very high28 Ų2852.6 Ų52.617%0.17224%0.238CC..Hα-helixtrans-114-19.9-171.167.10000114.2M623 F668 F674M623-T672 WeakPolarHBondContact O-CG2 3.2Å; F668-T672 HydrophobicContact CD1-CG2 4.41Å; F668-T672 WeakPolarHBondContact CD1-OG1 3.31Å; F668-T672 HydrophobicContact CD2-CG2 4.3Å; F668-T672 HydrophobicContact CE1-CG2 4.15Å; F668-T672 VanDerWaalsContact CE1-OG1 3.23Å; F668-T672 WeakPolarHBondContact CE1-OG1 3.47Å; F668-T672 HydrophobicContact CE2-CG2 4.04Å; F668-T672 HydrophobicContact CG-CG2 4.49Å; F668-T672 HydrophobicContact CZ-CG2 3.97Å; F668-T672 WeakPolarHBondContact O-CB 3.38Å; F668-T672 PolarHBondContact O-N 3.33Å; F668-T672 PolarHBondContact O-OG1 3.25Å; T672-F674 WeakPolarHBondContact O-CD2 3.27Å; T672-F674 PolarHBondContact O-N 2.74Å; T672-F674 PolarHBondContact OG1-N 3.43Å; T672-F674 VanDerWaalsContact OG1-N 3.14Å; T672-F674 PolarHBondContact OG1-O 2.91Å
673R97.9Very high98Very high176 Ų17648.6 Ų48.666%0.66422%0.222SC*.SBendtrans6115.5-167.4-54.1-59.3-177.5171.70.8114.9Y669Y669-R673 WeakPolarHBondContact O-CA 3.33Å; Y669-R673 PolarHBondContact O-N 3.43Å
674F97.9Very high97.8Very high127 Ų12744.7 Ų44.756%0.55721%0.206SC*.  trans-113.3144.4174.4-68.9-76.4000111.4P595 F668 T672P595-F674 HydrophobicContact CB-CB 3.76Å; P595-F674 HydrophobicContact CB-CG 4.39Å; P595-F674 HydrophobicContact CG-CB 3.66Å; P595-F674 HydrophobicContact CG-CD1 3.74Å; P595-F674 HydrophobicContact CG-CG 3.82Å; F668-F674 VanDerWaalsContact CD1-O 3.26Å; F668-F674 WeakPolarHBondContact CD1-O 3.49Å; F668-F674 HydrophobicContact CE1-CB 4.34Å; F668-F674 WeakPolarHBondContact CE1-O 3.24Å; T672-F674 WeakPolarHBondContact O-CD2 3.27Å; T672-F674 PolarHBondContact O-N 2.74Å; T672-F674 PolarHBondContact OG1-N 3.43Å; T672-F674 VanDerWaalsContact OG1-N 3.14Å; T672-F674 PolarHBondContact OG1-O 2.91Å
675K97.9Very high96.7Very high97 Ų9746.7 Ų46.742%0.42223%0.228SC..  trans-86.7127.4165.8-62.2-179.2-174.3174.90108.1P595 Y669 T677 E710 Y713P595-K675 WeakPolarHBondContact CB-O 3.43Å; Y669-K675 HydrophobicContact CD2-CG 4Å; Y669-K675 HydrophobicContact CE2-CG 4.18Å; K675-T677 PolarHBondContact O-N 2.94Å; K675-E710 VanDerWaalsContact NZ-CD 3.32Å; K675-E710 IonicContact NZ-OE1 3.06Å; K675-E710 PolarHBondContact NZ-OE1 2.85Å; K675-E710 IonicContact NZ-OE2 2.85Å; K675-E710 PolarHBondContact NZ-OE2 3.47Å; K675-Y713 HydrophobicContact CB-CE2 4.33Å
676P98.1Very high96.2Very high3 Ų346.6 Ų46.62%0.01923%0.227CC..  trans-58128.4175.9-23.732.5000111.4P595 I597 L665 F668 Y713 P715P595-P676 CarbonylContact O-C 3.54Å; I597-P676 HydrophobicContact CB-CB 4.17Å; I597-P676 HydrophobicContact CB-CG 3.93Å; I597-P676 HydrophobicContact CG2-CB 3.8Å; I597-P676 HydrophobicContact CG2-CG 3.83Å; L665-P676 HydrophobicContact CD2-CG 3.9Å; F668-P676 HydrophobicContact CD1-CG 3.49Å; F668-P676 VanDerWaalsContact CD1-CG 3.49Å; F668-P676 HydrophobicContact CE1-CG 3.61Å; F668-P676 HydrophobicContact CG-CG 4.03Å; F668-P676 HydrophobicContact CZ-CG 4.23Å; P676-Y713 WeakPolarHBondContact CD-OH 3.31Å; P676-Y713 VanDerWaalsContact O-CE2 3.23Å; P676-Y713 WeakPolarHBondContact O-CE2 3.06Å; P676-Y713 PolarHBondContact O-OH 3.32Å; P676-P715 WeakPolarHBondContact O-CB 3.44Å
677T98.3Very high95.4Very high55 Ų5546.2 Ų46.234%0.33723%0.23SC..SBendtrans-83-21.516957.90000111.5Q594 P595 K675 P715 G716Q594-T677 HydrophobicContact CB-CG2 4.4Å; Q594-T677 VanDerWaalsContact CB-OG1 3.31Å; Q594-T677 WeakPolarHBondContact CB-OG1 3.47Å; Q594-T677 PolarHBondContact OE1-OG1 3.45Å; P595-T677 PolarHBondContact O-N 3.4Å; P595-T677 PolarHBondContact O-OG1 3.2Å; K675-T677 PolarHBondContact O-N 2.94Å; T677-P715 VanDerWaalsContact O-CA 3.32Å; T677-P715 WeakPolarHBondContact O-CA 3.45Å; T677-P715 WeakPolarHBondContact O-CB 3.36Å; T677-G716 PolarHBondContact O-N 3.5Å
678R98.5Very high94.5Very high55 Ų5548.4 Ų48.421%0.20824%0.24CC..EExtended strand (participates in β ladder)trans-135.6141.6-178.3-55.3-172176.7878.5111.6Q594 P595 V596 I597 G716 N787Q594-R678 VanDerWaalsContact OE1-CZ 3.26Å; P595-R678 PolarHBondContact O-N 3.42Å; V596-R678 WeakPolarHBondContact CA-O 3.48Å; V596-R678 HydrophobicContact CB-CB 4.26Å; V596-R678 HydrophobicContact CG2-CB 3.98Å; I597-R678 PolarHBondContact N-O 3.27Å; I597-R678 VanDerWaalsContact N-O 3.07Å; R678-G716 CarbonylContact C-O 3.53Å; R678-G716 WeakPolarHBondContact CA-O 3.39Å; R678-N787 VanDerWaalsContact CD-OD1 3.27Å; R678-N787 WeakPolarHBondContact CD-OD1 3.48Å; R678-N787 VanDerWaalsContact CG-OD1 3.22Å; R678-N787 WeakPolarHBondContact CG-OD1 3.13Å
679I98.8Very high93.5Very high0 Ų051.3 Ų51.30%027%0.271CS..EExtended strand (participates in β ladder)trans-119.4115.2173.8-58.3179.9000108.5I597 L599 L665 I702 P715 G716 I717 T718I597-I679 HydrophobicContact CG2-CB 4.25Å; I597-I679 HydrophobicContact CG2-CG1 3.8Å; I597-I679 HydrophobicContact CG2-CG2 4.25Å; L599-I679 HydrophobicContact CD1-CG2 3.62Å; L599-I679 HydrophobicContact CG-CG2 4.12Å; L665-I679 HydrophobicContact CD2-CD1 4.33Å; I679-I702 HydrophobicContact CD1-CG2 3.96Å; I679-I702 HydrophobicContact CG2-CG2 4.4Å; I679-P715 HydrophobicContact CD1-CB 4.44Å; I679-P715 HydrophobicContact CD1-CG 3.65Å; I679-P715 HydrophobicContact CG1-CB 4.26Å; I679-P715 HydrophobicContact CG1-CG 4Å; I679-G716 PolarHBondContact N-O 2.96Å; I679-I717 HydrophobicContact CB-CG1 4.37Å; I679-I717 WeakPolarHBondContact O-CA 3.22Å; I679-T718 PolarHBondContact O-N 3.25Å
680I98.8Very high92.7Very high0 Ų048.2 Ų48.20%026%0.261CS..EExtended strand (participates in β ladder)trans-104.6108.9176.4-47.4-56.8000108.6V591 V596 I597 F598 L599 Y682 I720 F789V591-I680 HydrophobicContact CG2-CD1 4.49Å; V596-I680 HydrophobicContact CG2-CG1 3.72Å; I597-I680 PolarHBondContact O-N 2.88Å; F598-I680 HydrophobicContact CD1-CB 3.81Å; F598-I680 HydrophobicContact CD1-CG1 4.15Å; F598-I680 HydrophobicContact CD1-CG2 4.2Å; F598-I680 HydrophobicContact CE1-CB 4.06Å; F598-I680 HydrophobicContact CE1-CG1 3.92Å; F598-I680 HydrophobicContact CE1-CG2 4.38Å; L599-I680 PolarHBondContact N-O 3.02Å; I680-Y682 HydrophobicContact CG2-CD2 4.26Å; I680-Y682 HydrophobicContact CG2-CE2 3.65Å; I680-I720 HydrophobicContact CG2-CD1 3.98Å; I680-F789 HydrophobicContact CD1-CE2 3.6Å; I680-F789 HydrophobicContact CD1-CZ 3.76Å
681Y98.8Very high92.2Very high0 Ų043.1 Ų43.10%024%0.239CC..EExtended strand (participates in β ladder)trans-107.6109.2-171.2-177.2-109000111.7L599 A601 L657 R683 E698 I702 T718 Y719 I720L599-Y681 HydrophobicContact CB-CD2 3.68Å; L599-Y681 HydrophobicContact CB-CE2 4.46Å; L599-Y681 HydrophobicContact CD1-CD2 4.12Å; A601-Y681 HydrophobicContact CB-CE2 3.55Å; A601-Y681 WeakPolarHBondContact CB-OH 3.29Å; L657-Y681 HydrophobicContact CD1-CE2 4.45Å; Y681-R683 HydrophobicContact CD1-CB 4.16Å; Y681-R683 HydrophobicContact CE1-CB 3.68Å; Y681-R683 HydrophobicContact CE1-CG 4.18Å; Y681-E698 WeakPolarHBondContact CE1-OE2 3.13Å; Y681-E698 PolarHBondContact OH-OE2 2.71Å; Y681-I702 HydrophobicContact CD1-CD1 4.1Å; Y681-I702 HydrophobicContact CD2-CD1 4.12Å; Y681-I702 HydrophobicContact CE1-CD1 4.35Å; Y681-I702 HydrophobicContact CE2-CD1 4.42Å; Y681-I702 HydrophobicContact CG-CD1 3.95Å; Y681-T718 PolarHBondContact N-O 3.48Å; Y681-Y719 HydrophobicContact CD1-CD1 4.44Å; Y681-Y719 AromaticContact CD1-CD2 3.46Å; Y681-Y719 HydrophobicContact CD1-CD2 3.46Å; Y681-Y719 VanDerWaalsContact CD1-CD2 3.46Å; Y681-Y719 HydrophobicContact CD1-CE1 4.4Å; Y681-Y719 AromaticContact CD1-CE2 3.42Å; Y681-Y719 HydrophobicContact CD1-CE2 3.42Å; Y681-Y719 VanDerWaalsContact CD1-CE2 3.42Å; Y681-Y719 AromaticContact CD1-CG 3.99Å; Y681-Y719 HydrophobicContact CD1-CG 3.99Å; Y681-Y719 AromaticContact CD1-CZ 3.92Å; Y681-Y719 AromaticContact CE1-CD2 3.88Å; Y681-Y719 HydrophobicContact CE1-CD2 3.88Å; Y681-Y719 HydrophobicContact CE1-CE1 4.42Å; Y681-Y719 AromaticContact CE1-CE2 3.3Å; Y681-Y719 HydrophobicContact CE1-CE2 3.3Å; Y681-Y719 AromaticContact CE1-CZ 3.62Å; Y681-I720 PolarHBondContact O-N 3.44Å
682Y98.8Very high91.7Very high0 Ų043.4 Ų43.40%023%0.233CC..EExtended strand (participates in β ladder)trans-95.6107.7173.6-71.3-85.7000111L599 G600 A601 I680 I720 V722 Y780 T798 L801 P815 P817L599-Y682 PolarHBondContact O-N 3.46Å; G600-Y682 WeakPolarHBondContact CA-O 3.44Å; A601-Y682 PolarHBondContact N-O 3.2Å; I680-Y682 HydrophobicContact CG2-CD2 4.26Å; I680-Y682 HydrophobicContact CG2-CE2 3.65Å; Y682-I720 CarbonylContact C-O 3.55Å; Y682-I720 WeakPolarHBondContact CA-O 3.43Å; Y682-I720 HydrophobicContact CD1-CB 4.08Å; Y682-I720 HydrophobicContact CD1-CD1 4.09Å; Y682-I720 HydrophobicContact CD1-CG2 4.11Å; Y682-I720 HydrophobicContact CE1-CB 4.29Å; Y682-I720 HydrophobicContact CE1-CD1 3.6Å; Y682-I720 HydrophobicContact CE1-CG2 4.14Å; Y682-I720 HydrophobicContact CE2-CD1 4.26Å; Y682-V722 HydrophobicContact CD1-CG2 3.62Å; Y682-V722 HydrophobicContact CG-CG2 4.36Å; Y682-Y780 HydrophobicContact CE1-CD1 4.35Å; Y682-Y780 HydrophobicContact CE1-CE1 4.38Å; Y682-T798 HydrophobicContact CE1-CG2 4.19Å; Y682-T798 PolarHBondContact OH-OG1 2.8Å; Y682-T798 VanDerWaalsContact OH-OG1 3.11Å; Y682-L801 HydrophobicContact CD2-CD1 4.46Å; Y682-L801 HydrophobicContact CE2-CD1 3.5Å; Y682-P815 HydrophobicContact CD1-CG 3.92Å; Y682-P815 HydrophobicContact CE1-CG 3.79Å; Y682-P815 HydrophobicContact CG-CG 4.42Å; Y682-P817 HydrophobicContact CD2-CG 4.15Å
683R97.8Very high91.1Very high0 Ų046.9 Ų46.90%025%0.247CC..EExtended strand (participates in β ladder)trans-99.3105.4-180-176.458.4168.682.77.8111.6E652 Y681 V686 E698 Y719 I720 V721 V722E652-R683 PolarHBondContact O-NH2 2.86Å; E652-R683 IonicContact OE1-CZ 3.96Å; E652-R683 IonicContact OE1-NH1 3.02Å; E652-R683 PolarHBondContact OE1-NH1 3.43Å; E652-R683 IonicContact OE1-NH2 3.47Å; E652-R683 PolarHBondContact OE1-NH2 3.23Å; Y681-R683 HydrophobicContact CD1-CB 4.16Å; Y681-R683 HydrophobicContact CE1-CB 3.68Å; Y681-R683 HydrophobicContact CE1-CG 4.18Å; R683-V686 HydrophobicContact CG-CG2 3.69Å; R683-V686 VanDerWaalsContact CZ-CG2 3.46Å; R683-E698 WeakPolarHBondContact CD-OE2 3.3Å; R683-E698 IonicContact CZ-OE1 2.69Å; R683-E698 IonicContact NE-OE1 3.59Å; R683-E698 PolarHBondContact NE-OE1 3.24Å; R683-E698 VanDerWaalsContact NE-OE1 3.12Å; R683-E698 IonicContact NE-OE2 3.55Å; R683-E698 PolarHBondContact NE-OE2 3.47Å; R683-E698 IonicContact NH2-OE1 2.99Å; R683-E698 PolarHBondContact NH2-OE1 3.5Å; R683-Y719 HydrophobicContact CB-CE1 4.08Å; R683-I720 PolarHBondContact N-O 3.08Å; R683-V721 CarbonylContact O-C 3.55Å; R683-V721 WeakPolarHBondContact O-CA 3.44Å; R683-V722 PolarHBondContact O-N 2.83Å
684G93Very high90.7Very high8 Ų838.6 Ų38.68%0.08222%0.216CC..EExtended strand (participates in β ladder)trans-92150.2172.700000111.9A601A601-G684 PolarHBondContact O-N 3.21Å
685G76.6Confident90.4Very high44 Ų4432.6 Ų32.645%0.45419%0.189SC..SBendtrans106.3-15.1171.300000116
686V87.4Confident90.1Very high5 Ų532.3 Ų32.33%0.0319%0.186CC..  trans-80.7132.5-177.3-173.20000111.7E652 R683 Q690 M691 V694 V721 Q723E652-V686 HydrophobicContact CG-CG1 4.49Å; E652-V686 HydrophobicContact CG-CG2 4.06Å; R683-V686 HydrophobicContact CG-CG2 3.69Å; R683-V686 VanDerWaalsContact CZ-CG2 3.46Å; V686-Q690 HydrophobicContact CG1-CB 4.12Å; V686-M691 HydrophobicContact CG1-CG 4.29Å; V686-V694 HydrophobicContact CG1-CB 4.18Å; V686-V694 HydrophobicContact CG1-CG2 4.1Å; V686-V694 HydrophobicContact CG2-CB 4.48Å; V686-V694 HydrophobicContact CG2-CG1 3.96Å; V686-V721 HydrophobicContact CB-CG1 4.15Å; V686-Q723 PolarHBondContact O-NE2 3.15Å
687S81.6Confident89.8Confident54 Ų5434.4 Ų34.438%0.37820%0.199SC..  trans-79.3153.517278.90000111.4G689 Q690 M691S687-G689 PolarHBondContact O-N 2.92Å; S687-Q690 PolarHBondContact O-N 3.48Å; S687-Q690 VanDerWaalsContact OG-CD 3.27Å; S687-Q690 WeakPolarHBondContact OG-CG 3.37Å; S687-Q690 PolarHBondContact OG-OE1 2.97Å; S687-M691 PolarHBondContact O-N 3.2Å
688E78.2Confident89.7Confident73 Ų7331.8 Ų31.834%0.34118%0.183SC..G310 helixtrans-54.5-47.6-177.3-179.6-177.7-158.200113.1R171 R199 Q690 M691R171-E688 IonicContact NH1-OE2 3.66Å; R199-E688 IonicContact CZ-OE1 3.01Å; R199-E688 IonicContact CZ-OE2 2.77Å; R199-E688 VanDerWaalsContact NH1-CD 3.3Å; R199-E688 IonicContact NH1-OE1 2.55Å; R199-E688 PolarHBondContact NH1-OE1 2.8Å; R199-E688 VanDerWaalsContact NH1-OE1 3.15Å; R199-E688 IonicContact NH1-OE2 3.33Å; R199-E688 PolarHBondContact NH1-OE2 3.07Å; R199-E688 VanDerWaalsContact NH2-CD 3.29Å; R199-E688 IonicContact NH2-OE1 3.05Å; R199-E688 PolarHBondContact NH2-OE1 3.2Å; R199-E688 IonicContact NH2-OE2 3.59Å; R199-E688 PolarHBondContact NH2-OE2 3.39Å; E688-Q690 PolarHBondContact O-N 3.47Å; E688-M691 HydrophobicContact CG-SD 4.47Å; E688-M691 WeakPolarHBondContact O-CB 3.23Å; E688-M691 WeakPolarHBondContact O-CG 3.26Å; E688-M691 PolarHBondContact O-N 3.35Å; E688-M691 VanDerWaalsContact O-N 3.14Å
689G76.8Confident89.6Confident65 Ų6529.2 Ų29.267%0.6717%0.174SC*.G310 helixtrans-68.80.8178.600000114.9S687S687-G689 PolarHBondContact O-N 2.92Å
690Q82.2Confident89.5Confident42 Ų4231.5 Ų31.520%0.19619%0.186CC..G310 helixtrans-118.3-3.3177.6-66172.8-5100112.4V686 S687 E688 K692 Q693 V694V686-Q690 HydrophobicContact CG1-CB 4.12Å; S687-Q690 PolarHBondContact O-N 3.48Å; S687-Q690 VanDerWaalsContact OG-CD 3.27Å; S687-Q690 WeakPolarHBondContact OG-CG 3.37Å; S687-Q690 PolarHBondContact OG-OE1 2.97Å; E688-Q690 PolarHBondContact O-N 3.47Å; Q690-K692 PolarHBondContact O-N 2.79Å; Q690-Q693 PolarHBondContact O-N 2.87Å; Q690-V694 HydrophobicContact CB-CG2 4.26Å; Q690-V694 WeakPolarHBondContact O-CB 3.5Å; Q690-V694 VanDerWaalsContact O-CG2 3.3Å; Q690-V694 WeakPolarHBondContact O-CG2 3.42Å; Q690-V694 PolarHBondContact O-N 2.93Å
691M87.4Confident89.4Confident13 Ų1332 Ų326%0.06419%0.19CC..Hα-helixtrans-54.9-57.2-173-79.2175170.300112.6V686 S687 E688 Q693 V694 A695 V721 Q723 H781 L783V686-M691 HydrophobicContact CG1-CG 4.29Å; S687-M691 PolarHBondContact O-N 3.2Å; E688-M691 HydrophobicContact CG-SD 4.47Å; E688-M691 WeakPolarHBondContact O-CB 3.23Å; E688-M691 WeakPolarHBondContact O-CG 3.26Å; E688-M691 PolarHBondContact O-N 3.35Å; E688-M691 VanDerWaalsContact O-N 3.14Å; M691-Q693 VanDerWaalsContact C-N 3.35Å; M691-Q693 PolarHBondContact O-N 3.23Å; M691-V694 PolarHBondContact O-N 2.84Å; M691-A695 VanDerWaalsContact O-CB 3.24Å; M691-A695 WeakPolarHBondContact O-CB 3.28Å; M691-A695 PolarHBondContact O-N 2.73Å; M691-V721 HydrophobicContact CE-CB 4.23Å; M691-V721 HydrophobicContact CE-CG1 3.77Å; M691-V721 HydrophobicContact CG-CG1 4.49Å; M691-V721 HydrophobicContact CG-CG2 4.48Å; M691-Q723 HydrophobicContact CE-CG 4.07Å; M691-Q723 VanDerWaalsContact CE-NE2 3.33Å; M691-H781 HydrophobicContact CE-CB 4.14Å; M691-H781 HydrophobicContact SD-CB 4.48Å; M691-L783 HydrophobicContact CB-CD1 3.9Å; M691-L783 HydrophobicContact CB-CD2 4.43Å; M691-L783 HydrophobicContact CG-CD1 4.37Å
692K83.9Confident89.4Confident67 Ų6732 Ų3229%0.29119%0.19SC..Hα-helixtrans-61.1-43.2-179.1-64.8-179.6-179.4174.80111.8E148 Q690 V694 A695 W696E148-K692 IonicContact OE1-NZ 3.47Å; Q690-K692 PolarHBondContact O-N 2.79Å; K692-V694 VanDerWaalsContact C-N 3.31Å; K692-V694 PolarHBondContact O-N 3.19Å; K692-A695 PolarHBondContact O-N 2.83Å; K692-W696 PolarHBondContact O-N 3.37Å
693Q84.1Confident89.4Confident101 Ų10136 Ų3647%0.47221%0.205SC..Hα-helixtrans-64.6-33-179.8-66.2179.6-9.900113.2Q690 M691 P697Q690-Q693 PolarHBondContact O-N 2.87Å; M691-Q693 VanDerWaalsContact C-N 3.35Å; M691-Q693 PolarHBondContact O-N 3.23Å; Q693-P697 WeakPolarHBondContact O-CD 3.1Å; Q693-P697 VanDerWaalsContact O-CG 3.27Å; Q693-P697 WeakPolarHBondContact O-CG 3.48Å
694V90.2Very high89.4Confident2 Ų241.8 Ų41.81%0.01223%0.23CC..Hα-helixtrans-85.2-40178.7174.10000111.7E652 V653 V686 Q690 M691 K692 W696 P697 E698E652-V694 HydrophobicContact CB-CG2 3.91Å; E652-V694 HydrophobicContact CG-CG2 3.8Å; V653-V694 HydrophobicContact CG2-CG2 4.17Å; V686-V694 HydrophobicContact CG1-CB 4.18Å; V686-V694 HydrophobicContact CG1-CG2 4.1Å; V686-V694 HydrophobicContact CG2-CB 4.48Å; V686-V694 HydrophobicContact CG2-CG1 3.96Å; Q690-V694 HydrophobicContact CB-CG2 4.26Å; Q690-V694 WeakPolarHBondContact O-CB 3.5Å; Q690-V694 VanDerWaalsContact O-CG2 3.3Å; Q690-V694 WeakPolarHBondContact O-CG2 3.42Å; Q690-V694 PolarHBondContact O-N 2.93Å; M691-V694 PolarHBondContact O-N 2.84Å; K692-V694 VanDerWaalsContact C-N 3.31Å; K692-V694 PolarHBondContact O-N 3.19Å; V694-W696 PolarHBondContact O-N 3.48Å; V694-P697 WeakPolarHBondContact O-CD 3.48Å; V694-P697 WeakPolarHBondContact O-CG 3.34Å; V694-E698 HydrophobicContact CG1-CG 4.22Å; V694-E698 VanDerWaalsContact CG1-OE1 3.3Å; V694-E698 WeakPolarHBondContact CG1-OE1 3.49Å; V694-E698 WeakPolarHBondContact O-CB 3.43Å; V694-E698 WeakPolarHBondContact O-CG 3.49Å; V694-E698 PolarHBondContact O-N 2.85Å
695A92Very high89.7Confident0 Ų041.4 Ų41.40%023%0.226CC..Hα-helixtrans-66-42.2-172.400000113.1F15 M691 K692 E698 L699 Y719 L783F15-A695 HydrophobicContact CE1-CB 3.78Å; F15-A695 HydrophobicContact CE2-CB 4.42Å; F15-A695 HydrophobicContact CZ-CB 3.49Å; F15-A695 VanDerWaalsContact CZ-CB 3.49Å; M691-A695 VanDerWaalsContact O-CB 3.24Å; M691-A695 WeakPolarHBondContact O-CB 3.28Å; M691-A695 PolarHBondContact O-N 2.73Å; K692-A695 PolarHBondContact O-N 2.83Å; A695-E698 PolarHBondContact O-N 3.42Å; A695-L699 WeakPolarHBondContact O-CB 3.39Å; A695-L699 PolarHBondContact O-N 3.5Å; A695-Y719 HydrophobicContact CB-CD1 4.45Å; A695-Y719 HydrophobicContact CB-CE1 4Å; A695-L783 HydrophobicContact CB-CB 4.19Å; A695-L783 HydrophobicContact CB-CD1 3.58Å
696W90.8Very high90.7Very high91 Ų9139.5 Ų39.535%0.34521%0.205SC..Hα-helixtrans-59.4-56.3-179.2179.7-117.4000114.1F15 K692 V694 E698 L699 I700F15-W696 HydrophobicContact CB-CB 4.48Å; F15-W696 HydrophobicContact CB-CD2 4.15Å; F15-W696 HydrophobicContact CB-CE3 3.69Å; F15-W696 HydrophobicContact CB-CZ3 4.17Å; F15-W696 HydrophobicContact CD2-CD2 4.46Å; F15-W696 AromaticContact CD2-CE3 3.48Å; F15-W696 HydrophobicContact CD2-CE3 3.48Å; F15-W696 VanDerWaalsContact CD2-CE3 3.48Å; F15-W696 HydrophobicContact CD2-CZ3 4.05Å; F15-W696 HydrophobicContact CE2-CE3 4.4Å; F15-W696 HydrophobicContact CG-CB 4.25Å; F15-W696 HydrophobicContact CG-CD2 4.49Å; F15-W696 AromaticContact CG-CE3 3.86Å; F15-W696 HydrophobicContact CG-CE3 3.86Å; K692-W696 PolarHBondContact O-N 3.37Å; V694-W696 PolarHBondContact O-N 3.48Å; W696-E698 VanDerWaalsContact C-N 3.32Å; W696-E698 PolarHBondContact O-N 3.15Å; W696-L699 PolarHBondContact O-N 3.5Å; W696-I700 HydrophobicContact CD2-CD1 3.9Å; W696-I700 HydrophobicContact CD2-CG1 4.42Å; W696-I700 VanDerWaalsContact CE2-CD1 3.42Å; W696-I700 HydrophobicContact CG-CD1 4.31Å; W696-I700 HydrophobicContact CH2-CD1 4.41Å; W696-I700 HydrophobicContact CZ2-CD1 3.72Å; W696-I700 HydrophobicContact CZ2-CG1 4.44Å; W696-I700 WeakPolarHBondContact O-CG1 3.46Å; W696-I700 PolarHBondContact O-N 3.29Å; W696-I700 VanDerWaalsContact O-N 3.1Å
697P92.8Very high91.2Very high47 Ų4743 Ų4331%0.30522%0.223SC..Hα-helixtrans-64-35.8178.924.4-33.8000112.7V653 Q693 V694 A701V653-P697 HydrophobicContact CG1-CB 4.07Å; V653-P697 HydrophobicContact CG1-CG 3.86Å; V653-P697 HydrophobicContact CG2-CG 4Å; Q693-P697 WeakPolarHBondContact O-CD 3.1Å; Q693-P697 VanDerWaalsContact O-CG 3.27Å; Q693-P697 WeakPolarHBondContact O-CG 3.48Å; V694-P697 WeakPolarHBondContact O-CD 3.48Å; V694-P697 WeakPolarHBondContact O-CG 3.34Å; P697-A701 WeakPolarHBondContact O-CB 3.46Å; P697-A701 PolarHBondContact O-N 3.38Å
698E96Very high92Very high1 Ų143 Ų431%0.00522%0.223CC..Hα-helixtrans-69-40.9177.7-72.7-167.2-16700112.2V653 I654 L657 Y681 R683 V694 A695 W696 I700 A701 I702 Y719V653-E698 HydrophobicContact CG1-CG 4.23Å; I654-E698 PolarHBondContact N-OE1 3.26Å; I654-E698 VanDerWaalsContact N-OE1 3.14Å; L657-E698 HydrophobicContact CD2-CB 3.51Å; L657-E698 HydrophobicContact CD2-CG 3.69Å; L657-E698 WeakPolarHBondContact CD2-O 3.46Å; Y681-E698 WeakPolarHBondContact CE1-OE2 3.13Å; Y681-E698 PolarHBondContact OH-OE2 2.71Å; R683-E698 WeakPolarHBondContact CD-OE2 3.3Å; R683-E698 IonicContact CZ-OE1 2.69Å; R683-E698 IonicContact NE-OE1 3.59Å; R683-E698 PolarHBondContact NE-OE1 3.24Å; R683-E698 VanDerWaalsContact NE-OE1 3.12Å; R683-E698 IonicContact NE-OE2 3.55Å; R683-E698 PolarHBondContact NE-OE2 3.47Å; R683-E698 IonicContact NH2-OE1 2.99Å; R683-E698 PolarHBondContact NH2-OE1 3.5Å; V694-E698 HydrophobicContact CG1-CG 4.22Å; V694-E698 VanDerWaalsContact CG1-OE1 3.3Å; V694-E698 WeakPolarHBondContact CG1-OE1 3.49Å; V694-E698 WeakPolarHBondContact O-CB 3.43Å; V694-E698 WeakPolarHBondContact O-CG 3.49Å; V694-E698 PolarHBondContact O-N 2.85Å; A695-E698 PolarHBondContact O-N 3.42Å; W696-E698 VanDerWaalsContact C-N 3.32Å; W696-E698 PolarHBondContact O-N 3.15Å; E698-I700 PolarHBondContact O-N 3.47Å; E698-A701 WeakPolarHBondContact O-CB 3.25Å; E698-A701 PolarHBondContact O-N 2.86Å; E698-A701 VanDerWaalsContact O-N 3.16Å; E698-I702 WeakPolarHBondContact O-CG1 3.47Å; E698-I702 PolarHBondContact O-N 2.79Å; E698-Y719 HydrophobicContact CB-CE2 3.93Å; E698-Y719 PolarHBondContact OE2-OH 3.22Å; E698-Y719 VanDerWaalsContact OE2-OH 3.1Å
699L96.5Very high92.9Very high1 Ų142.5 Ų42.51%0.00522%0.223CC..Hα-helixtrans-60.7-45175.2178.764.7000111.3F15 A695 W696 A701 I702 R703 I717 W784F15-L699 HydrophobicContact CD2-CD2 4.41Å; F15-L699 HydrophobicContact CE2-CD2 3.99Å; A695-L699 WeakPolarHBondContact O-CB 3.39Å; A695-L699 PolarHBondContact O-N 3.5Å; W696-L699 PolarHBondContact O-N 3.5Å; L699-A701 VanDerWaalsContact C-N 3.29Å; L699-A701 PolarHBondContact O-N 3.1Å; L699-I702 PolarHBondContact O-N 2.91Å; L699-R703 PolarHBondContact O-N 2.9Å; L699-I717 HydrophobicContact CD1-CB 4.21Å; L699-I717 HydrophobicContact CD1-CD1 3.92Å; L699-I717 HydrophobicContact CD1-CG2 3.8Å; L699-W784 HydrophobicContact CD1-CB 4.46Å; L699-W784 HydrophobicContact CD1-CG 4.05Å; L699-W784 HydrophobicContact CD2-CB 4.2Å; L699-W784 HydrophobicContact CD2-CD2 3.51Å; L699-W784 HydrophobicContact CD2-CE3 3.81Å; L699-W784 HydrophobicContact CD2-CG 3.66Å; L699-W784 HydrophobicContact CD2-CZ3 4.48Å
700I96.1Very high93.9Very high48 Ų4843.8 Ų43.825%0.24621%0.211CC..Hα-helixtrans-59.9-42.2174.6-69.9170.5000110.6W696 E698 I702 R703 K704W696-I700 HydrophobicContact CD2-CD1 3.9Å; W696-I700 HydrophobicContact CD2-CG1 4.42Å; W696-I700 VanDerWaalsContact CE2-CD1 3.42Å; W696-I700 HydrophobicContact CG-CD1 4.31Å; W696-I700 HydrophobicContact CH2-CD1 4.41Å; W696-I700 HydrophobicContact CZ2-CD1 3.72Å; W696-I700 HydrophobicContact CZ2-CG1 4.44Å; W696-I700 WeakPolarHBondContact O-CG1 3.46Å; W696-I700 PolarHBondContact O-N 3.29Å; W696-I700 VanDerWaalsContact O-N 3.1Å; E698-I700 PolarHBondContact O-N 3.47Å; I700-I702 PolarHBondContact O-N 3.42Å; I700-R703 PolarHBondContact O-N 2.88Å; I700-K704 HydrophobicContact CG2-CD 3.9Å; I700-K704 HydrophobicContact CG2-CG 4.19Å; I700-K704 WeakPolarHBondContact O-CB 3.38Å; I700-K704 WeakPolarHBondContact O-CG 3.41Å; I700-K704 PolarHBondContact O-N 2.56Å
701A97.7Very high94.5Very high10 Ų1049.3 Ų49.38%0.08324%0.237CC..Hα-helixtrans-63.2-40.417900000112.5L657 T658 P697 E698 L699 K704 A705L657-A701 HydrophobicContact CB-CB 3.88Å; L657-A701 HydrophobicContact CD2-CB 4.18Å; L657-A701 HydrophobicContact CG-CB 4.19Å; T658-A701 WeakPolarHBondContact OG1-CA 3.11Å; T658-A701 WeakPolarHBondContact OG1-CB 3.36Å; P697-A701 WeakPolarHBondContact O-CB 3.46Å; P697-A701 PolarHBondContact O-N 3.38Å; E698-A701 WeakPolarHBondContact O-CB 3.25Å; E698-A701 PolarHBondContact O-N 2.86Å; E698-A701 VanDerWaalsContact O-N 3.16Å; L699-A701 VanDerWaalsContact C-N 3.29Å; L699-A701 PolarHBondContact O-N 3.1Å; A701-K704 PolarHBondContact O-N 2.82Å; A701-A705 PolarHBondContact O-N 3.31Å
702I98.6Very high94.9Very high0 Ų054.8 Ų54.80%027%0.266CS..Hα-helixtrans-62.4-45.3174.3-63.5164.7000110.5L657 V661 I679 Y681 E698 L699 I700 A705 C706 I717L657-I702 HydrophobicContact CD2-CD1 4.43Å; L657-I702 HydrophobicContact CD2-CG1 4.05Å; L657-I702 HydrophobicContact CG-CG1 4.46Å; V661-I702 HydrophobicContact CG1-CG2 4.43Å; V661-I702 HydrophobicContact CG2-CG1 4.18Å; I679-I702 HydrophobicContact CD1-CG2 3.96Å; I679-I702 HydrophobicContact CG2-CG2 4.4Å; Y681-I702 HydrophobicContact CD1-CD1 4.1Å; Y681-I702 HydrophobicContact CD2-CD1 4.12Å; Y681-I702 HydrophobicContact CE1-CD1 4.35Å; Y681-I702 HydrophobicContact CE2-CD1 4.42Å; Y681-I702 HydrophobicContact CG-CD1 3.95Å; E698-I702 WeakPolarHBondContact O-CG1 3.47Å; E698-I702 PolarHBondContact O-N 2.79Å; L699-I702 PolarHBondContact O-N 2.91Å; I700-I702 PolarHBondContact O-N 3.42Å; I702-A705 WeakPolarHBondContact O-CB 3.43Å; I702-A705 PolarHBondContact O-N 3.48Å; I702-C706 PolarHBondContact O-N 3.44Å; I702-C706 PolarHBondContact O-SG 3.04Å; I702-I717 HydrophobicContact CB-CD1 4.2Å; I702-I717 HydrophobicContact CG2-CD1 3.6Å; I702-I717 HydrophobicContact CG2-CG1 4.14Å
703R98.2Very high95.5Very high84 Ų8452.9 Ų52.932%0.31726%0.258SS..Hα-helixtrans-62.2-44.7176.5-72.1-179.9172.9166.1-0112.1L699 I700 A705 C706 I707 I717 D786L699-R703 PolarHBondContact O-N 2.9Å; I700-R703 PolarHBondContact O-N 2.88Å; R703-A705 VanDerWaalsContact C-N 3.28Å; R703-A705 PolarHBondContact O-N 3.11Å; R703-C706 WeakPolarHBondContact O-CB 3.43Å; R703-C706 PolarHBondContact O-N 3.48Å; R703-C706 VanDerWaalsContact O-N 3.16Å; R703-I707 WeakPolarHBondContact O-CG1 3.33Å; R703-I707 PolarHBondContact O-N 3.34Å; R703-I717 HydrophobicContact CG-CD1 3.62Å; R703-D786 IonicContact NH2-OD1 2.75Å; R703-D786 IonicContact NH2-OD2 3.96Å
704K98.1Very high96.2Very high122 Ų12257.3 Ų57.353%0.5327%0.27SS..Hα-helixtrans-58.7-39.5174.9-76.7178177.2178.70111.8T658 I700 A701 C706 S708T658-K704 HydrophobicContact CG2-CB 3.9Å; I700-K704 HydrophobicContact CG2-CD 3.9Å; I700-K704 HydrophobicContact CG2-CG 4.19Å; I700-K704 WeakPolarHBondContact O-CB 3.38Å; I700-K704 WeakPolarHBondContact O-CG 3.41Å; I700-K704 PolarHBondContact O-N 2.56Å; A701-K704 PolarHBondContact O-N 2.82Å; K704-C706 VanDerWaalsContact C-N 3.32Å; K704-C706 PolarHBondContact O-N 3.02Å; K704-S708 WeakPolarHBondContact O-CB 3.48Å; K704-S708 PolarHBondContact O-N 3.09Å; K704-S708 PolarHBondContact O-OG 2.83Å
705A98.5Very high96.6Very high0 Ų057.8 Ų57.80%027%0.273CS..Hα-helixtrans-60.7-43.8176.700000111.4T658 V661 R662 A701 I702 R703 S708 L709T658-A705 HydrophobicContact CG2-CB 4.24Å; T658-A705 VanDerWaalsContact O-CB 3.23Å; T658-A705 WeakPolarHBondContact O-CB 3.48Å; V661-A705 HydrophobicContact CB-CB 3.87Å; V661-A705 HydrophobicContact CG1-CB 3.77Å; R662-A705 HydrophobicContact CB-CB 4.31Å; A701-A705 PolarHBondContact O-N 3.31Å; I702-A705 WeakPolarHBondContact O-CB 3.43Å; I702-A705 PolarHBondContact O-N 3.48Å; R703-A705 VanDerWaalsContact C-N 3.28Å; R703-A705 PolarHBondContact O-N 3.11Å; A705-S708 PolarHBondContact O-OG 3.14Å; A705-L709 WeakPolarHBondContact O-CG 3.35Å; A705-L709 PolarHBondContact O-N 2.86Å
706C98.5Very high96.9Very high3 Ų358.5 Ų58.52%0.0228%0.281CS..Hα-helixtrans-64.3-53.3178.2-57.50000111.7I702 R703 K704 S708 L709 E710 Y713 P715I702-C706 PolarHBondContact O-N 3.44Å; I702-C706 PolarHBondContact O-SG 3.04Å; R703-C706 WeakPolarHBondContact O-CB 3.43Å; R703-C706 PolarHBondContact O-N 3.48Å; R703-C706 VanDerWaalsContact O-N 3.16Å; K704-C706 VanDerWaalsContact C-N 3.32Å; K704-C706 PolarHBondContact O-N 3.02Å; C706-S708 PolarHBondContact O-N 2.61Å; C706-L709 WeakPolarHBondContact O-CB 3.4Å; C706-L709 PolarHBondContact O-N 3.49Å; C706-E710 PolarHBondContact O-N 2.99Å; C706-Y713 HydrophobicContact CB-CD1 3.58Å; C706-Y713 HydrophobicContact CB-CE1 3.81Å; C706-Y713 HydrophobicContact CB-CG 4.46Å; C706-Y713 VanDerWaalsContact CB-O 3.27Å; C706-Y713 WeakPolarHBondContact CB-O 3.49Å; C706-P715 HydrophobicContact CB-CG 4.4Å
707I98Very high97.2Very high80 Ų8054.3 Ų54.341%0.4127%0.265SS..Hα-helixtrans-60.4-35.7179.9-63.9166.3000111.5R703 L709 E710R703-I707 WeakPolarHBondContact O-CG1 3.33Å; R703-I707 PolarHBondContact O-N 3.34Å; I707-L709 PolarHBondContact O-N 3.5Å; I707-E710 WeakPolarHBondContact CA-O 3.11Å; I707-E710 CarbonylContact O-C 3.5Å; I707-E710 PolarHBondContact O-N 3.19Å
708S98.1Very high97.5Very high54 Ų5452 Ų5238%0.37825%0.25SS..Hα-helixtrans-67.5-19.9178.576.80000113.8R662 K704 A705 C706R662-S708 PolarHBondContact NH1-O 3.02Å; R662-S708 PolarHBondContact NH1-OG 2.84Å; K704-S708 WeakPolarHBondContact O-CB 3.48Å; K704-S708 PolarHBondContact O-N 3.09Å; K704-S708 PolarHBondContact O-OG 2.83Å; A705-S708 PolarHBondContact O-OG 3.14Å; C706-S708 PolarHBondContact O-N 2.61Å
709L97.5Very high97.6Very high62 Ų6252 Ų5233%0.32525%0.25SS..Hα-helixtrans-86.9-38.5176.6-70.9168.7000111.4R662 L665 I666 A705 C706 I707R662-L709 HydrophobicContact CG-CD1 4.39Å; R662-L709 HydrophobicContact CG-CD2 3.74Å; R662-L709 HydrophobicContact CG-CG 4.04Å; L665-L709 HydrophobicContact CB-CD1 3.66Å; L665-L709 HydrophobicContact CD1-CD1 3.74Å; L665-L709 HydrophobicContact CG-CD1 4.37Å; I666-L709 HydrophobicContact CD1-CD2 3.8Å; I666-L709 HydrophobicContact CG1-CD2 3.61Å; A705-L709 WeakPolarHBondContact O-CG 3.35Å; A705-L709 PolarHBondContact O-N 2.86Å; C706-L709 WeakPolarHBondContact O-CB 3.4Å; C706-L709 PolarHBondContact O-N 3.49Å; I707-L709 PolarHBondContact O-N 3.5Å
710E97.4Very high97.7Very high91 Ų9152 Ų5243%0.42525%0.25SC..  trans-160.1131.7179.6176.2172.1121.400108.7K675 C706 I707 D712 Y713K675-E710 VanDerWaalsContact NZ-CD 3.32Å; K675-E710 IonicContact NZ-OE1 3.06Å; K675-E710 PolarHBondContact NZ-OE1 2.85Å; K675-E710 IonicContact NZ-OE2 2.85Å; K675-E710 PolarHBondContact NZ-OE2 3.47Å; C706-E710 PolarHBondContact O-N 2.99Å; I707-E710 WeakPolarHBondContact CA-O 3.11Å; I707-E710 CarbonylContact O-C 3.5Å; I707-E710 PolarHBondContact O-N 3.19Å; E710-D712 VanDerWaalsContact C-N 3.3Å; E710-D712 PolarHBondContact O-N 2.87Å; E710-Y713 WeakPolarHBondContact O-CB 3.38Å; E710-Y713 PolarHBondContact O-N 3.02Å
711E93.6Very high97.8Very high158 Ų15849.8 Ų49.874%0.73824%0.238SC*.THydrogen-bonded Turntrans-56.7-40.3-167.5-170.7171.2-177.600113.4
712D95.8Very high97.8Very high128 Ų12849.6 Ų49.668%0.68424%0.236SC*.THydrogen-bonded Turntrans-96.33.4-178.7-67.7-42.4000114.3E710 R714E710-D712 VanDerWaalsContact C-N 3.3Å; E710-D712 PolarHBondContact O-N 2.87Å; D712-R714 PolarHBondContact O-N 2.9Å
713Y98.1Very high97.6Very high28 Ų2850.7 Ų50.711%0.1124%0.241CC..  trans-75.899.1-177.9176.9-124.1000111.5L665 K675 P676 C706 E710 P715L665-Y713 HydrophobicContact CD1-CE1 4.27Å; K675-Y713 HydrophobicContact CB-CE2 4.33Å; P676-Y713 WeakPolarHBondContact CD-OH 3.31Å; P676-Y713 VanDerWaalsContact O-CE2 3.23Å; P676-Y713 WeakPolarHBondContact O-CE2 3.06Å; P676-Y713 PolarHBondContact O-OH 3.32Å; C706-Y713 HydrophobicContact CB-CD1 3.58Å; C706-Y713 HydrophobicContact CB-CE1 3.81Å; C706-Y713 HydrophobicContact CB-CG 4.46Å; C706-Y713 VanDerWaalsContact CB-O 3.27Å; C706-Y713 WeakPolarHBondContact CB-O 3.49Å; E710-Y713 WeakPolarHBondContact O-CB 3.38Å; E710-Y713 PolarHBondContact O-N 3.02Å; Y713-P715 HydrophobicContact CE1-CG 4.06Å; Y713-P715 HydrophobicContact CE2-CB 4.12Å; Y713-P715 HydrophobicContact CE2-CG 3.99Å; Y713-P715 WeakPolarHBondContact O-CD 3.5Å
714R97.6Very high97.3Very high194 Ų19449.8 Ų49.873%0.73224%0.24SC*.  trans-12569.6-175.2-60.8178.2-172.4-134.82111.6D712D712-R714 PolarHBondContact O-N 2.9Å
715P98.1Very high96.8Very high12 Ų1253.6 Ų53.68%0.07825%0.251CS..PPolyproline II helixtrans-66.6150.3177.331.2-36.5000111.2P676 T677 I679 C706 Y713 I717P676-P715 WeakPolarHBondContact O-CB 3.44Å; T677-P715 VanDerWaalsContact O-CA 3.32Å; T677-P715 WeakPolarHBondContact O-CA 3.45Å; T677-P715 WeakPolarHBondContact O-CB 3.36Å; I679-P715 HydrophobicContact CD1-CB 4.44Å; I679-P715 HydrophobicContact CD1-CG 3.65Å; I679-P715 HydrophobicContact CG1-CB 4.26Å; I679-P715 HydrophobicContact CG1-CG 4Å; C706-P715 HydrophobicContact CB-CG 4.4Å; Y713-P715 HydrophobicContact CE1-CG 4.06Å; Y713-P715 HydrophobicContact CE2-CB 4.12Å; Y713-P715 HydrophobicContact CE2-CG 3.99Å; Y713-P715 WeakPolarHBondContact O-CD 3.5Å; P715-I717 PolarHBondContact O-N 3.47Å
716G98.3Very high96.5Very high15 Ų1554.5 Ų54.516%0.15526%0.255CS..EExtended strand (participates in β ladder)trans-68.7127.2176.400000111.7T677 R678 I679 N787T677-G716 PolarHBondContact O-N 3.5Å; R678-G716 CarbonylContact C-O 3.53Å; R678-G716 WeakPolarHBondContact CA-O 3.39Å; I679-G716 PolarHBondContact N-O 2.96Å; G716-N787 PolarHBondContact O-ND2 2.92Å
717I98.7Very high96.3Very high2 Ų256.7 Ų56.71%0.0127%0.265CS..EExtended strand (participates in β ladder)trans-103.9132.1-178.4-57.8167.4000110.1I679 L699 I702 R703 P715 D786I679-I717 HydrophobicContact CB-CG1 4.37Å; I679-I717 WeakPolarHBondContact O-CA 3.22Å; L699-I717 HydrophobicContact CD1-CB 4.21Å; L699-I717 HydrophobicContact CD1-CD1 3.92Å; L699-I717 HydrophobicContact CD1-CG2 3.8Å; I702-I717 HydrophobicContact CB-CD1 4.2Å; I702-I717 HydrophobicContact CG2-CD1 3.6Å; I702-I717 HydrophobicContact CG2-CG1 4.14Å; R703-I717 HydrophobicContact CG-CD1 3.62Å; P715-I717 PolarHBondContact O-N 3.47Å; I717-D786 PolarHBondContact N-OD2 3.38Å; I717-D786 PolarHBondContact O-N 3.18Å
718T98.8Very high96.3Very high0 Ų053 Ų530%025%0.246CC..EExtended strand (participates in β ladder)trans-116.2116.8165.7-51.50000109I679 Y681 I720 V782 W784 D785 N787 F789I679-T718 PolarHBondContact O-N 3.25Å; Y681-T718 PolarHBondContact N-O 3.48Å; T718-I720 HydrophobicContact CG2-CD1 4.11Å; T718-I720 HydrophobicContact CG2-CG1 3.97Å; T718-V782 HydrophobicContact CG2-CG1 4.29Å; T718-W784 CarbonylContact C-O 3.54Å; T718-W784 WeakPolarHBondContact CA-O 3.42Å; T718-D785 WeakPolarHBondContact CB-OD1 3.4Å; T718-D785 HydrophobicContact CG2-CB 4.19Å; T718-D785 WeakPolarHBondContact CG2-OD1 3.47Å; T718-D785 PolarHBondContact OG1-OD1 3.42Å; T718-N787 PolarHBondContact OG1-ND2 3.05Å; T718-F789 HydrophobicContact CG2-CD2 3.97Å; T718-F789 HydrophobicContact CG2-CE2 4.16Å; T718-F789 VanDerWaalsContact OG1-CE2 3.3Å; T718-F789 WeakPolarHBondContact OG1-CE2 3.38Å
719Y98.6Very high96.3Very high1 Ų150.4 Ų50.40%0.00423%0.228CC..EExtended strand (participates in β ladder)trans-105116.8-176.3-168.4-67.2000110.3Y681 R683 A695 E698 V721 V782 L783 W784Y681-Y719 HydrophobicContact CD1-CD1 4.44Å; Y681-Y719 AromaticContact CD1-CD2 3.46Å; Y681-Y719 HydrophobicContact CD1-CD2 3.46Å; Y681-Y719 VanDerWaalsContact CD1-CD2 3.46Å; Y681-Y719 HydrophobicContact CD1-CE1 4.4Å; Y681-Y719 AromaticContact CD1-CE2 3.42Å; Y681-Y719 HydrophobicContact CD1-CE2 3.42Å; Y681-Y719 VanDerWaalsContact CD1-CE2 3.42Å; Y681-Y719 AromaticContact CD1-CG 3.99Å; Y681-Y719 HydrophobicContact CD1-CG 3.99Å; Y681-Y719 AromaticContact CD1-CZ 3.92Å; Y681-Y719 AromaticContact CE1-CD2 3.88Å; Y681-Y719 HydrophobicContact CE1-CD2 3.88Å; Y681-Y719 HydrophobicContact CE1-CE1 4.42Å; Y681-Y719 AromaticContact CE1-CE2 3.3Å; Y681-Y719 HydrophobicContact CE1-CE2 3.3Å; Y681-Y719 AromaticContact CE1-CZ 3.62Å; R683-Y719 HydrophobicContact CB-CE1 4.08Å; A695-Y719 HydrophobicContact CB-CD1 4.45Å; A695-Y719 HydrophobicContact CB-CE1 4Å; E698-Y719 HydrophobicContact CB-CE2 3.93Å; E698-Y719 PolarHBondContact OE2-OH 3.22Å; E698-Y719 VanDerWaalsContact OE2-OH 3.1Å; Y719-V721 HydrophobicContact CD1-CG2 4.36Å; Y719-V721 HydrophobicContact CE1-CG2 3.74Å; Y719-V782 WeakPolarHBondContact O-CA 3.44Å; Y719-L783 HydrophobicContact CD1-CB 4.01Å; Y719-L783 HydrophobicContact CD1-CD1 4.24Å; Y719-L783 HydrophobicContact CD1-CG 4.46Å; Y719-L783 HydrophobicContact CE1-CD1 4.06Å; Y719-L783 PolarHBondContact O-N 3.33Å; Y719-W784 PolarHBondContact N-O 2.89Å
720I98.6Very high96.3Very high0 Ų047.7 Ų47.70%021%0.214CC..EExtended strand (participates in β ladder)trans-126.2117.4-173-50.2159.1000109.2I680 Y681 Y682 R683 T718 Y780 H781 L794I680-I720 HydrophobicContact CG2-CD1 3.98Å; Y681-I720 PolarHBondContact O-N 3.44Å; Y682-I720 CarbonylContact C-O 3.55Å; Y682-I720 WeakPolarHBondContact CA-O 3.43Å; Y682-I720 HydrophobicContact CD1-CB 4.08Å; Y682-I720 HydrophobicContact CD1-CD1 4.09Å; Y682-I720 HydrophobicContact CD1-CG2 4.11Å; Y682-I720 HydrophobicContact CE1-CB 4.29Å; Y682-I720 HydrophobicContact CE1-CD1 3.6Å; Y682-I720 HydrophobicContact CE1-CG2 4.14Å; Y682-I720 HydrophobicContact CE2-CD1 4.26Å; R683-I720 PolarHBondContact N-O 3.08Å; T718-I720 HydrophobicContact CG2-CD1 4.11Å; T718-I720 HydrophobicContact CG2-CG1 3.97Å; I720-Y780 HydrophobicContact CG2-CD1 4.12Å; I720-H781 WeakPolarHBondContact CA-O 3.26Å; I720-L794 HydrophobicContact CD1-CD1 3.79Å
721V98.1Very high96.4Very high1 Ų143.5 Ų43.51%0.00619%0.194CC..EExtended strand (participates in β ladder)trans-82131.2170.3176.90000109.7R683 V686 M691 Y719 Q723 Y780 H781 L783R683-V721 CarbonylContact O-C 3.55Å; R683-V721 WeakPolarHBondContact O-CA 3.44Å; V686-V721 HydrophobicContact CB-CG1 4.15Å; M691-V721 HydrophobicContact CE-CB 4.23Å; M691-V721 HydrophobicContact CE-CG1 3.77Å; M691-V721 HydrophobicContact CG-CG1 4.49Å; M691-V721 HydrophobicContact CG-CG2 4.48Å; Y719-V721 HydrophobicContact CD1-CG2 4.36Å; Y719-V721 HydrophobicContact CE1-CG2 3.74Å; V721-Q723 HydrophobicContact CG1-CG 3.91Å; V721-Y780 WeakPolarHBondContact O-CA 3.14Å; V721-H781 PolarHBondContact N-O 2.9Å; V721-H781 PolarHBondContact O-N 3.04Å; V721-L783 HydrophobicContact CB-CD1 4.49Å; V721-L783 HydrophobicContact CG2-CD1 3.41Å; V721-L783 VanDerWaalsContact CG2-CD1 3.41Å; V721-L783 HydrophobicContact CG2-CG 4.15Å
722V97.6Very high96.6Very high6 Ų636 Ų364%0.03616%0.159CC..EExtended strand (participates in β ladder)trans-111.4114.1177.7-171.70000110.2Y682 R683 Y780 I814Y682-V722 HydrophobicContact CD1-CG2 3.62Å; Y682-V722 HydrophobicContact CG-CG2 4.36Å; R683-V722 PolarHBondContact O-N 2.83Å; V722-Y780 HydrophobicContact CB-CD1 4.45Å; V722-Y780 HydrophobicContact CB-CE1 4.32Å; V722-Y780 HydrophobicContact CG1-CD1 4.21Å; V722-Y780 HydrophobicContact CG1-CE1 3.7Å; V722-Y780 HydrophobicContact CG2-CD1 3.81Å; V722-Y780 HydrophobicContact CG2-CE1 3.77Å; V722-I814 HydrophobicContact CG1-CB 4.24Å; V722-I814 HydrophobicContact CG1-CG2 3.68Å
723Q94.4Very high96.7Very high24 Ų2431.7 Ų31.711%0.11214%0.139CC..EExtended strand (participates in β ladder)trans-113.8111.8177.9-56.1-179.3-56.400110.8V686 M691 V721 H726 H779V686-Q723 PolarHBondContact O-NE2 3.15Å; M691-Q723 HydrophobicContact CE-CG 4.07Å; M691-Q723 VanDerWaalsContact CE-NE2 3.33Å; V721-Q723 HydrophobicContact CG1-CG 3.91Å; Q723-H726 PolarHBondContact O-CD2 2.83Å; Q723-H726 PolarHBondContact O-NE2 2.57Å; Q723-H779 HydrophobicContact CB-CB 4.24Å; Q723-H779 PolarHBondContact N-O 3.15Å; Q723-H779 PolarHBondContact O-N 2.9Å; Q723-H779 PolarHBondContact OE1-ND1 3.06Å; Q723-H779 VanDerWaalsContact OE1-ND1 3.14Å
724K90.7Very high96.5Very high65 Ų6534.4 Ų34.428%0.28316%0.155SC..  trans-92.1-20.3170.1-174.5174.2178178.10112.9S813 I814K724-S813 WeakPolarHBondContact CE-OG 3.48Å; K724-S813 PolarHBondContact NZ-OG 2.9Å; K724-I814 HydrophobicContact CB-CG2 4.29Å; K724-I814 HydrophobicContact CD-CG2 4.37Å
725R88.4Confident96.4Very high201 Ų20132.7 Ų32.776%0.75815%0.153SC*.SBendtrans-103.278.7-174.9-66.2-175.9-176.6-179.85110.4
726H92.1Very high96.2Very high20 Ų2036.2 Ų36.29%0.09318%0.183CC..SBendtrans-138.1179.8172.958.685.1000109.9Q723 T728 R729 Y764 P777Q723-H726 PolarHBondContact O-CD2 2.83Å; Q723-H726 PolarHBondContact O-NE2 2.57Å; H726-T728 PolarHBondContact CE1-O 3.15Å; H726-T728 WeakPolarHBondContact ND1-CB 3.42Å; H726-T728 PolarHBondContact ND1-N 2.97Å; H726-R729 PolarHBondContact O-NH1 3.09Å; H726-R729 PolarHBondContact O-NH2 3.43Å; H726-Y764 AromaticContact CE1-CE1 3.86Å; H726-Y764 AromaticContact ND1-CE1 3.97Å; H726-P777 PolarHBondContact CE1-O 3.26Å; H726-P777 PolarHBondContact NE2-O 3.43Å
727H94.6Very high96.1Very high49 Ų4937.7 Ų37.723%0.22719%0.186CC..SBendtrans-106.9-3.6-173.1-69.3-85.7000114.3N35 H195 N208 D210 R729N35-H727 PolarHBondContact ND2-O 3.46Å; H195-H727 HydrophobicContact CB-CB 4.37Å; H195-H727 VanDerWaalsContact CB-ND1 3.31Å; H195-H727 WeakPolarHBondContact CB-ND1 3.4Å; H195-H727 WeakPolarHBondContact CD2-CB 3.19Å; H195-H727 AromaticContact CD2-CD2 3.68Å; H195-H727 AromaticContact CD2-CG 3.27Å; H195-H727 AromaticContact CD2-ND1 3.81Å; H195-H727 AromaticContact CE1-CD2 3.36Å; H195-H727 PolarHBondContact CE1-CD2 3.49Å; H195-H727 AromaticContact CE1-CG 3.8Å; H195-H727 AromaticContact CE1-NE2 3.92Å; H195-H727 AromaticContact CG-CD2 3.43Å; H195-H727 VanDerWaalsContact CG-CD2 3.43Å; H195-H727 AromaticContact CG-CE1 3.59Å; H195-H727 AromaticContact CG-CG 3.2Å; H195-H727 AromaticContact CG-ND1 3.34Å; H195-H727 VanDerWaalsContact CG-ND1 3.34Å; H195-H727 AromaticContact CG-NE2 3.71Å; H195-H727 AromaticContact ND1-CD2 3.24Å; H195-H727 PolarHBondContact ND1-CD2 3.16Å; H195-H727 AromaticContact ND1-CE1 3.69Å; H195-H727 AromaticContact ND1-CG 3.58Å; H195-H727 AromaticContact ND1-ND1 3.86Å; H195-H727 AromaticContact ND1-NE2 3.38Å; H195-H727 PolarHBondContact ND1-NE2 3.02Å; H195-H727 AromaticContact NE2-CD2 3.62Å; H195-H727 AromaticContact NE2-CG 3.65Å; N208-H727 WeakPolarHBondContact OD1-CB 3.34Å; D210-H727 HydrophobicContact CB-CB 4.04Å; D210-H727 IonicContact OD2-ND1 3.69Å; H727-R729 PolarHBondContact O-N 3.16Å
728T97.1Very high96Very high2 Ų241.1 Ų41.11%0.01220%0.199CC..  trans-60128.7166-44.50000112.1N35 H36 H726 I755 Y764N35-T728 WeakPolarHBondContact OD1-CA 3.39Å; H36-T728 PolarHBondContact CE1-OG1 3.4Å; H726-T728 PolarHBondContact CE1-O 3.15Å; H726-T728 WeakPolarHBondContact ND1-CB 3.42Å; H726-T728 PolarHBondContact ND1-N 2.97Å; T728-I755 HydrophobicContact CG2-CD1 4.09Å; T728-Y764 HydrophobicContact CG2-CD1 4.23Å; T728-Y764 HydrophobicContact CG2-CE1 3.79Å; T728-Y764 HydrophobicContact CG2-CE2 4.22Å; T728-Y764 PolarHBondContact OG1-OH 3.13Å; T728-Y764 VanDerWaalsContact OG1-OH 3.13Å
729R98.2Very high95.9Very high0 Ų042.3 Ų42.30%021%0.207CC..  trans-128.1144.3172.1-59.7-62.9173.5-95.3-13.6108.5A34 N35 D210 H726 H727 F731A34-R729 WeakPolarHBondContact CA-O 3.4Å; N35-R729 PolarHBondContact N-O 3.19Å; N35-R729 PolarHBondContact OD1-N 3.42Å; N35-R729 PolarHBondContact OD1-O 2.93Å; D210-R729 IonicContact OD2-CZ 3.92Å; D210-R729 IonicContact OD2-NE 3.94Å; D210-R729 PolarHBondContact OD2-NE 2.89Å; D210-R729 IonicContact OD2-NH2 3.59Å; D210-R729 PolarHBondContact OD2-NH2 3.48Å; H726-R729 PolarHBondContact O-NH1 3.09Å; H726-R729 PolarHBondContact O-NH2 3.43Å; H727-R729 PolarHBondContact O-N 3.16Å; R729-F731 HydrophobicContact CB-CE1 4.35Å; R729-F731 HydrophobicContact CB-CE2 3.74Å; R729-F731 HydrophobicContact CB-CZ 3.58Å; R729-F731 HydrophobicContact CG-CZ 4.32Å
730L98.6Very high95.6Very high4 Ų445.2 Ų45.22%0.02124%0.236CC..EExtended strand (participates in β ladder)trans-120.9134.7177-62.3172.9000108.1L32 L33 A34 V745 V751 I755 P777L32-L730 HydrophobicContact CD1-CD1 4.39Å; L33-L730 WeakPolarHBondContact O-CA 3.14Å; A34-L730 HydrophobicContact CB-CD2 4.08Å; L730-V745 HydrophobicContact CB-CG1 4.22Å; L730-V751 HydrophobicContact CD1-CG2 3.83Å; L730-V751 HydrophobicContact CD2-CG2 4.27Å; L730-I755 HydrophobicContact CD2-CD1 3.95Å; L730-P777 HydrophobicContact CD1-CB 3.97Å; L730-P777 HydrophobicContact CD1-CG 3.92Å; L730-P777 HydrophobicContact CG-CG 4.04Å
731F98.6Very high95.2Very high3 Ų355.6 Ų55.61%0.01328%0.281CS..EExtended strand (participates in β ladder)trans-126.6147.2-179.8-50.9-80.1000109.2L32 L33 N35 A364 R367 Q368 I371 M399 R729 S733 T774L32-F731 CarbonylContact C-O 3.2Å; L32-F731 WeakPolarHBondContact CA-O 3.16Å; L33-F731 HydrophobicContact CB-CB 4.41Å; L33-F731 PolarHBondContact N-O 2.7Å; L33-F731 WeakPolarHBondContact O-CD2 3.26Å; L33-F731 PolarHBondContact O-N 2.84Å; N35-F731 HydrophobicContact CB-CE2 4.29Å; A364-F731 HydrophobicContact CB-CD1 4.12Å; A364-F731 HydrophobicContact CB-CE1 4.4Å; A364-F731 WeakPolarHBondContact O-CD1 2.88Å; A364-F731 WeakPolarHBondContact O-CE1 3.47Å; R367-F731 HydrophobicContact CB-CE1 4.48Å; Q368-F731 HydrophobicContact CB-CD1 3.7Å; Q368-F731 HydrophobicContact CB-CD2 4.16Å; Q368-F731 HydrophobicContact CB-CE1 3.8Å; Q368-F731 HydrophobicContact CB-CE2 4.26Å; Q368-F731 HydrophobicContact CB-CG 3.88Å; Q368-F731 HydrophobicContact CB-CZ 4.08Å; Q368-F731 HydrophobicContact CG-CB 4.28Å; Q368-F731 HydrophobicContact CG-CD1 4.27Å; Q368-F731 HydrophobicContact CG-CD2 3.97Å; Q368-F731 HydrophobicContact CG-CE2 4.35Å; Q368-F731 HydrophobicContact CG-CG 3.92Å; I371-F731 HydrophobicContact CD1-CE2 4.46Å; I371-F731 HydrophobicContact CD1-CZ 4.08Å; M399-F731 HydrophobicContact CE-CD2 4.42Å; M399-F731 HydrophobicContact CE-CE2 3.95Å; M399-F731 HydrophobicContact SD-CD2 3.87Å; M399-F731 HydrophobicContact SD-CE2 3.96Å; R729-F731 HydrophobicContact CB-CE1 4.35Å; R729-F731 HydrophobicContact CB-CE2 3.74Å; R729-F731 HydrophobicContact CB-CZ 3.58Å; R729-F731 HydrophobicContact CG-CZ 4.32Å; F731-S733 PolarHBondContact O-N 3Å; F731-T774 HydrophobicContact CD1-CG2 4.42Å; F731-T774 HydrophobicContact CE1-CG2 3.68Å; F731-T774 HydrophobicContact CZ-CG2 4.37Å
732C98.4Very high95Very high1 Ų155.9 Ų55.91%0.00728%0.284CS..EExtended strand (participates in β ladder)trans-71.1127.5173.1-52.30000109.5D734 E737 R738C732-D734 VanDerWaalsContact C-N 3.35Å; C732-D734 WeakPolarHBondContact CB-O 3.34Å; C732-E737 HydrophobicContact CB-CB 4.17Å; C732-E737 PolarHBondContact SG-O 2.86Å; C732-E737 VanDerWaalsContact SG-O 3.42Å; C732-R738 HydrophobicContact CB-CG 3.94Å
733S96.8Very high95Very high38 Ų3856 Ų5627%0.26629%0.286SS..SBendtrans-65.5-43.2172-54.40000110.3R31 L32 F731R31-S733 VanDerWaalsContact C-OG 3.3Å; R31-S733 PolarHBondContact O-N 3.07Å; R31-S733 PolarHBondContact O-OG 3.48Å; L32-S733 WeakPolarHBondContact CA-OG 3.22Å; L32-S733 PolarHBondContact N-OG 2.78Å; L32-S733 PolarHBondContact O-OG 2.98Å; F731-S733 PolarHBondContact O-N 3Å
734D95.3Very high95.2Very high84 Ų8455 Ų5545%0.44928%0.281SS..SBendtrans-84.6136.3173.4-168.6-11000111.2C732 A736 E737C732-D734 VanDerWaalsContact C-N 3.35Å; C732-D734 WeakPolarHBondContact CB-O 3.34Å; D734-A736 VanDerWaalsContact C-N 3.29Å; D734-A736 PolarHBondContact O-N 2.74Å; D734-A736 PolarHBondContact OD1-N 2.74Å; D734-E737 HydrophobicContact CB-CG 4.36Å
735K93.9Very high95.6Very high158 Ų15852 Ų5269%0.68727%0.269SS*.SBendtrans-65.9-31.3173.9-64.4-177.2-178.4174.50112E737 R738K735-E737 VanDerWaalsContact C-N 3.27Å; K735-E737 PolarHBondContact O-N 3.18Å; K735-R738 WeakPolarHBondContact O-CB 3.44Å; K735-R738 WeakPolarHBondContact O-CG 3.5Å; K735-R738 PolarHBondContact O-N 2.94Å
736A95.5Very high96Very high86 Ų8643.3 Ų43.371%0.71124%0.239SC*.THydrogen-bonded Turntrans-67.8-25.5-178.600000113.3D734 R738D734-A736 VanDerWaalsContact C-N 3.29Å; D734-A736 PolarHBondContact O-N 2.74Å; D734-A736 PolarHBondContact OD1-N 2.74Å; A736-R738 VanDerWaalsContact C-N 3.31Å
737E95.9Very high96.3Very high46 Ų4642.8 Ų42.822%0.21524%0.237CC..THydrogen-bonded Turntrans-85.4-1.3179.1-63.9-150.4-123.600113.7I30 C732 D734 K735 V739I30-E737 HydrophobicContact CD1-CB 4.24Å; I30-E737 WeakPolarHBondContact CD1-OE2 3.16Å; I30-E737 VanDerWaalsContact CG1-OE2 3.28Å; I30-E737 WeakPolarHBondContact CG1-OE2 3.1Å; C732-E737 HydrophobicContact CB-CB 4.17Å; C732-E737 PolarHBondContact SG-O 2.86Å; C732-E737 VanDerWaalsContact SG-O 3.42Å; D734-E737 HydrophobicContact CB-CG 4.36Å; K735-E737 VanDerWaalsContact C-N 3.27Å; K735-E737 PolarHBondContact O-N 3.18Å; E737-V739 PolarHBondContact O-N 3.04Å
738R96.4Very high96.5Very high74 Ų7440.4 Ų40.428%0.27923%0.226SC..  trans-73.5125.8-179.9-65.4176.7-177.7-175.4-3.7110.4C732 K735 A736C732-R738 HydrophobicContact CB-CG 3.94Å; K735-R738 WeakPolarHBondContact O-CB 3.44Å; K735-R738 WeakPolarHBondContact O-CG 3.5Å; K735-R738 PolarHBondContact O-N 2.94Å; A736-R738 VanDerWaalsContact C-N 3.31Å
739V95.5Very high96.6Very high26 Ų2640.3 Ų40.316%0.15823%0.226CC..BIsolated β-bridgetrans-100.2125-176.1-178.20000111.9Q437 E737 G743 N744 P746Q437-V739 HydrophobicContact CB-CG1 4.49Å; Q437-V739 HydrophobicContact CG-CG1 4.4Å; E737-V739 PolarHBondContact O-N 3.04Å; V739-G743 PolarHBondContact O-N 3.17Å; V739-N744 PolarHBondContact N-O 3.45Å; V739-N744 PolarHBondContact O-N 3.5Å; V739-P746 HydrophobicContact CG2-CB 3.95Å
740G92.5Very high96.6Very high61 Ų6140.4 Ų40.463%0.62923%0.226SC*.THydrogen-bonded Turntrans69.6-177.4172.900000114.6S742 G743G740-S742 PolarHBondContact O-N 3.29Å; G740-G743 PolarHBondContact O-N 3.16Å
741K91.6Very high96.6Very high218 Ų21840.2 Ų40.295%0.94823%0.225SC*.THydrogen-bonded Turntrans-59.8-28.8-178.3-177.6175.1179176.10113.5G743K741-G743 VanDerWaalsContact C-N 3.31Å
742S93.9Very high96.6Very high8 Ų840.3 Ų40.36%0.05623%0.226CC..THydrogen-bonded Turntrans-79.8-13.5179.764.80000113.1A364 P365 G740 N744 G770A364-S742 PolarHBondContact N-O 3.31Å; P365-S742 WeakPolarHBondContact CD-O 3.32Å; G740-S742 PolarHBondContact O-N 3.29Å; S742-N744 WeakPolarHBondContact CB-ND2 3.39Å; S742-N744 PolarHBondContact O-N 3.01Å; S742-N744 PolarHBondContact OG-ND2 2.72Å; S742-G770 PolarHBondContact OG-O 3.25Å
743G97.2Very high96.4Very high9 Ų941.4 Ų41.49%0.09323%0.234CC..THydrogen-bonded Turntrans64.833.717600000115.1A364 V739 G740 K741A364-G743 WeakPolarHBondContact CB-O 3.47Å; V739-G743 PolarHBondContact O-N 3.17Å; G740-G743 PolarHBondContact O-N 3.16Å; K741-G743 VanDerWaalsContact C-N 3.31Å
744N98.3Very high96.3Very high1 Ų141.7 Ų41.71%0.00523%0.234CC..BIsolated β-bridgetrans-83.1167.1-175.6-82.1-84.4000113.5V739 S742 G773 S775V739-N744 PolarHBondContact N-O 3.45Å; V739-N744 PolarHBondContact O-N 3.5Å; S742-N744 WeakPolarHBondContact CB-ND2 3.39Å; S742-N744 PolarHBondContact O-N 3.01Å; S742-N744 PolarHBondContact OG-ND2 2.72Å; N744-G773 PolarHBondContact ND2-O 2.83Å; N744-S775 VanDerWaalsContact OD1-CB 3.31Å; N744-S775 WeakPolarHBondContact OD1-CB 3.48Å; N744-S775 PolarHBondContact OD1-N 2.88Å; N744-S775 PolarHBondContact OD1-OG 3.36Å
745V98.2Very high96.4Very high3 Ų338 Ų382%0.01821%0.214CC..PPolyproline II helixtrans-59.7147.9165.3-59.10000111.4L32 L730 T749 C766L32-V745 HydrophobicContact CD2-CG1 3.68Å; L730-V745 HydrophobicContact CB-CG1 4.22Å; V745-T749 HydrophobicContact CB-CG2 4.23Å; V745-T749 HydrophobicContact CG2-CG2 4.36Å; V745-C766 HydrophobicContact CG2-CB 3.96Å
746P98.1Very high96.4Very high19 Ų1930.5 Ų30.512%0.12318%0.181CC..PPolyproline II helixtrans-65152.5178.125.1-32.6000112.3I30 V406 V739 G748 T749I30-P746 HydrophobicContact CD1-CG 3.84Å; V406-P746 HydrophobicContact CG1-CB 4.41Å; V406-P746 HydrophobicContact CG1-CG 4.27Å; V406-P746 HydrophobicContact CG2-CG 3.7Å; V739-P746 HydrophobicContact CG2-CB 3.95Å; P746-G748 PolarHBondContact O-N 3.31Å; P746-T749 WeakPolarHBondContact CD-OG1 3.49Å; P746-T749 WeakPolarHBondContact CG-OG1 3.39Å; P746-T749 WeakPolarHBondContact O-CB 3.4Å; P746-T749 PolarHBondContact O-N 3.28Å; P746-T749 PolarHBondContact O-OG1 3.4Å
747A98.3Very high96.3Very high8 Ų827.8 Ų27.87%0.06615%0.154CC..THydrogen-bonded Turntrans-61.2135172.100000110C766 Y799A747-C766 CarbonylContact C-O 3.56Å; A747-C766 WeakPolarHBondContact CA-O 3.27Å; A747-Y799 PolarHBondContact O-OH 3.38Å
748G98.3Very high96.2Very high0 Ų026.5 Ų26.50%015%0.15CC..THydrogen-bonded Turntrans96.1-5.6-174.800000114L407 P746 T750 C766 Y799L407-G748 PolarHBondContact N-O 3.2Å; P746-G748 PolarHBondContact O-N 3.31Å; G748-T750 PolarHBondContact O-N 2.95Å; G748-T750 PolarHBondContact O-OG1 2.93Å; G748-C766 PolarHBondContact N-O 3.09Å; G748-Y799 VanDerWaalsContact CA-CZ 3.43Å; G748-Y799 PolarHBondContact N-OH 3.27Å
749T98.8Very high95.8Very high0 Ų024 Ų240%014%0.143CC..EExtended strand (participates in β ladder)trans-58.1120.7174-59.30000110.4I30 L32 R405 V745 P746 C766I30-T749 HydrophobicContact CG2-CG2 4.27Å; L32-T749 HydrophobicContact CD1-CG2 3.56Å; L32-T749 HydrophobicContact CD2-CG2 4.23Å; R405-T749 CarbonylContact O-C 3.43Å; R405-T749 WeakPolarHBondContact O-CA 3.32Å; V745-T749 HydrophobicContact CB-CG2 4.23Å; V745-T749 HydrophobicContact CG2-CG2 4.36Å; P746-T749 WeakPolarHBondContact CD-OG1 3.49Å; P746-T749 WeakPolarHBondContact CG-OG1 3.39Å; P746-T749 WeakPolarHBondContact O-CB 3.4Å; P746-T749 PolarHBondContact O-N 3.28Å; P746-T749 PolarHBondContact O-OG1 3.4Å; T749-C766 PolarHBondContact O-N 3.48Å
750T98.9Very high95.7Very high1 Ų124.2 Ų24.21%0.00614%0.143CC..EExtended strand (participates in β ladder)trans-127137.4-173.4-55.70000109.8G404 R405 L407 G748 F763 Y764 L765 Q795G404-T750 CarbonylContact C-O 3.56Å; G404-T750 VanDerWaalsContact CA-O 3.22Å; G404-T750 WeakPolarHBondContact CA-O 3.28Å; R405-T750 PolarHBondContact N-O 2.8Å; R405-T750 PolarHBondContact O-N 2.78Å; L407-T750 VanDerWaalsContact CD1-OG1 3.29Å; L407-T750 WeakPolarHBondContact CD1-OG1 3.26Å; L407-T750 WeakPolarHBondContact CG-OG1 3.32Å; G748-T750 PolarHBondContact O-N 2.95Å; G748-T750 PolarHBondContact O-OG1 2.93Å; T750-F763 HydrophobicContact CG2-CD2 4.47Å; T750-Y764 CarbonylContact C-O 3.6Å; T750-Y764 VanDerWaalsContact CA-O 3.22Å; T750-Y764 WeakPolarHBondContact CA-O 3.31Å; T750-L765 VanDerWaalsContact OG1-CD1 3.29Å; T750-L765 WeakPolarHBondContact OG1-CD1 3.42Å; T750-Q795 HydrophobicContact CG2-CG 4.18Å
751V98.7Very high95.9Very high0 Ų021.4 Ų21.40%011%0.113CC..EExtended strand (participates in β ladder)trans-135.7119.1178.9173.90000108.7L32 V402 L730 I755 F763 Y764L32-V751 HydrophobicContact CD1-CG2 3.62Å; V402-V751 HydrophobicContact CG1-CG1 3.59Å; V402-V751 HydrophobicContact CG1-CG2 4.33Å; L730-V751 HydrophobicContact CD1-CG2 3.83Å; L730-V751 HydrophobicContact CD2-CG2 4.27Å; V751-I755 HydrophobicContact CG1-CD1 4.01Å; V751-I755 HydrophobicContact CG1-CG1 3.81Å; V751-F763 WeakPolarHBondContact O-CA 3.17Å; V751-Y764 PolarHBondContact N-O 3.38Å; V751-Y764 PolarHBondContact O-N 2.69Å
752D97.9Very high96.2Very high6 Ų611.2 Ų11.23%0.0327%0.069CC..  trans-12913.8179.458.7-24.4000113.4R20 L23 G24 R405 T756 F763 Q795R20-D752 PolarHBondContact NH1-O 2.87Å; L23-D752 VanDerWaalsContact CD2-O 3.29Å; L23-D752 WeakPolarHBondContact CD2-O 3.33Å; G24-D752 PolarHBondContact N-OD2 2.76Å; R405-D752 IonicContact CZ-OD1 3.95Å; R405-D752 IonicContact NE-OD1 2.86Å; R405-D752 IonicContact NH2-OD1 3.95Å; R405-D752 PolarHBondContact NH2-OD1 3.19Å; R405-D752 IonicContact NH2-OD2 3.97Å; R405-D752 PolarHBondContact NH2-OD2 3.05Å; D752-T756 PolarHBondContact O-OG1 3.08Å; D752-F763 HydrophobicContact CB-CB 3.79Å; D752-Q795 PolarHBondContact OD2-NE2 3.22Å
753S95.1Very high96.4Very high24 Ų2410.9 Ų10.917%0.1687%0.067CC..SBendtrans-131.7168.5177.8710000112.3I755 T756S753-I755 PolarHBondContact O-N 3.07Å; S753-T756 WeakPolarHBondContact CA-OG1 3.44Å; S753-T756 PolarHBondContact N-OG1 3.32Å
754T94.4Very high96.5Very high44 Ų4410.6 Ų10.627%0.276%0.063SC..SBendtrans67-56.4169.7-46.90000115.3A201 T400 V402A201-T754 VanDerWaalsContact CB-O 3.28Å; A201-T754 WeakPolarHBondContact CB-O 3.43Å; T400-T754 HydrophobicContact CG2-CG2 3.68Å; V402-T754 HydrophobicContact CG2-CG2 4.07Å
755I96.2Very high96.5Very high5 Ų510.5 Ų10.53%0.0266%0.062CC..SBendtrans-106.31.1-177.362166.5000113.1A34 H36 T400 V402 T728 L730 V751 S753 Y764A34-I755 HydrophobicContact CB-CD1 3.85Å; A34-I755 HydrophobicContact CB-CG2 4.05Å; H36-I755 HydrophobicContact CB-CG2 3.98Å; T400-I755 HydrophobicContact CG2-CG2 4.26Å; V402-I755 HydrophobicContact CG2-CG1 4.43Å; V402-I755 HydrophobicContact CG2-CG2 3.8Å; T728-I755 HydrophobicContact CG2-CD1 4.09Å; L730-I755 HydrophobicContact CD2-CD1 3.95Å; V751-I755 HydrophobicContact CG1-CD1 4.01Å; V751-I755 HydrophobicContact CG1-CG1 3.81Å; S753-I755 PolarHBondContact O-N 3.07Å; I755-Y764 HydrophobicContact CD1-CD2 4.3Å; I755-Y764 HydrophobicContact CD1-CE2 4.34Å
756T95.7Very high96.5Very high1 Ų110.4 Ų10.41%0.0066%0.062CC..SBendtrans-89.7167.7176.1490000111.5R20 A201 M202 D752 S753 D762 Y764R20-T756 PolarHBondContact NH2-OG1 2.73Å; A201-T756 CarbonylContact C-O 3.6Å; A201-T756 VanDerWaalsContact CA-O 3.24Å; A201-T756 WeakPolarHBondContact CA-O 3.21Å; M202-T756 PolarHBondContact N-O 2.91Å; M202-T756 VanDerWaalsContact N-O 3.12Å; D752-T756 PolarHBondContact O-OG1 3.08Å; S753-T756 WeakPolarHBondContact CA-OG1 3.44Å; S753-T756 PolarHBondContact N-OG1 3.32Å; T756-D762 WeakPolarHBondContact CB-OD1 3.44Å; T756-Y764 HydrophobicContact CG2-CD2 4.13Å; T756-Y764 HydrophobicContact CG2-CE2 4.31Å
757H93.7Very high96.6Very high29 Ų299.5 Ų9.513%0.1346%0.056CC..  trans-55.9139.9-178.1-168.9-80.9000111.6R20 S759 E760 D762R20-H757 PolarHBondContact NH2-O 2.71Å; H757-S759 PolarHBondContact CE1-OG 2.8Å; H757-S759 PolarHBondContact ND1-N 2.86Å; H757-S759 VanDerWaalsContact ND1-N 3.19Å; H757-S759 PolarHBondContact O-N 3.38Å; H757-E760 HydrophobicContact CB-CB 4.28Å; H757-E760 IonicContact CD2-OE2 2.89Å; H757-E760 VanDerWaalsContact CE1-CG 3.43Å; H757-E760 WeakPolarHBondContact CE1-CG 3.5Å; H757-E760 IonicContact CE1-OE2 3.5Å; H757-E760 IonicContact CG-OE2 2.74Å; H757-E760 WeakPolarHBondContact ND1-CB 3.44Å; H757-E760 PolarHBondContact ND1-N 3.07Å; H757-E760 IonicContact ND1-OE2 3.86Å; H757-E760 IonicContact NE2-OE2 3.5Å; H757-D762 VanDerWaalsContact CB-OD1 3.29Å; H757-D762 WeakPolarHBondContact CB-OD1 3.31Å; H757-D762 VanDerWaalsContact N-CG 3.33Å; H757-D762 PolarHBondContact N-OD1 2.86Å; H757-D762 PolarHBondContact N-OD2 2.99Å
758P91.8Very high96.6Very high19 Ų1910.5 Ų10.512%0.1236%0.059CC..SBendtrans-59.7-39.6-175.121-34.4000114.2L139 V146 P200L139-P758 HydrophobicContact CD2-CG 4.42Å; V146-P758 HydrophobicContact CG2-CG 3.74Å; P200-P758 HydrophobicContact CB-CG 4.44Å
759S89.9Confident96.5Very high21 Ų2111.6 Ų11.615%0.1477%0.068CC..SBendtrans-121.3-47.8-175.158.40000115R20 H757R20-S759 PolarHBondContact N-O 2.79Å; H757-S759 PolarHBondContact CE1-OG 2.8Å; H757-S759 PolarHBondContact ND1-N 2.86Å; H757-S759 VanDerWaalsContact ND1-N 3.19Å; H757-S759 PolarHBondContact O-N 3.38Å
760E93.1Very high96.2Very high31 Ų3112.3 Ų12.315%0.1458%0.075CC..BIsolated β-bridgetrans-59.9159.1178.4-58175.3163.600113.9P17 R20 H757 D762 H781P17-E760 HydrophobicContact CB-CG 4.12Å; R20-E760 PolarHBondContact NH2-O 2.96Å; R20-E760 VanDerWaalsContact NH2-O 3.09Å; H757-E760 HydrophobicContact CB-CB 4.28Å; H757-E760 IonicContact CD2-OE2 2.89Å; H757-E760 VanDerWaalsContact CE1-CG 3.43Å; H757-E760 WeakPolarHBondContact CE1-CG 3.5Å; H757-E760 IonicContact CE1-OE2 3.5Å; H757-E760 IonicContact CG-OE2 2.74Å; H757-E760 WeakPolarHBondContact ND1-CB 3.44Å; H757-E760 PolarHBondContact ND1-N 3.07Å; H757-E760 IonicContact ND1-OE2 3.86Å; H757-E760 IonicContact NE2-OE2 3.5Å; E760-D762 PolarHBondContact O-N 3.18Å; E760-H781 IonicContact OE2-CE1 3.79Å; E760-H781 PolarHBondContact OE2-CE1 2.84Å; E760-H781 IonicContact OE2-NE2 3.87Å; E760-H781 PolarHBondContact OE2-NE2 3.02Å
761F96.5Very high95.8Very high2 Ų218.3 Ų18.31%0.00911%0.106CC..  trans-89.592.4-176.9-173.213.4000112.5P18 R20 P21 F763 V782 A791 L794P18-F761 PolarHBondContact O-N 3.14Å; R20-F761 HydrophobicContact CG-CD1 4.31Å; P21-F761 HydrophobicContact CG-CD2 4.06Å; P21-F761 HydrophobicContact CG-CE1 4.37Å; P21-F761 HydrophobicContact CG-CE2 3.76Å; P21-F761 HydrophobicContact CG-CZ 3.94Å; F761-F763 HydrophobicContact CE1-CD1 4.28Å; F761-V782 HydrophobicContact CB-CB 4.08Å; F761-V782 HydrophobicContact CB-CG2 4.38Å; F761-V782 HydrophobicContact CD1-CG2 4.41Å; F761-V782 HydrophobicContact CD2-CB 3.8Å; F761-V782 HydrophobicContact CD2-CG1 4.12Å; F761-V782 HydrophobicContact CD2-CG2 3.61Å; F761-V782 HydrophobicContact CE2-CG2 3.92Å; F761-V782 HydrophobicContact CG-CB 4.06Å; F761-V782 HydrophobicContact CG-CG2 3.87Å; F761-V782 HydrophobicContact CZ-CG2 4.43Å; F761-V782 WeakPolarHBondContact O-CB 3.42Å; F761-V782 PolarHBondContact O-N 2.94Å; F761-A791 HydrophobicContact CE1-CB 4.25Å; F761-A791 HydrophobicContact CZ-CB 4.43Å; F761-L794 HydrophobicContact CE2-CD2 3.77Å; F761-L794 HydrophobicContact CZ-CB 4.31Å; F761-L794 HydrophobicContact CZ-CD2 3.79Å
762D97.3Very high95.4Very high5 Ų524.7 Ų24.73%0.02714%0.136CC..EExtended strand (participates in β ladder)trans-131.4155.117672.3-36.8000113.7R20 T756 H757 E760 H779 Y780 H781R20-D762 IonicContact CZ-OD1 3.28Å; R20-D762 PolarHBondContact NH1-O 2.74Å; R20-D762 IonicContact NH1-OD1 3.96Å; R20-D762 IonicContact NH2-OD1 3.21Å; R20-D762 PolarHBondContact NH2-OD1 3.27Å; T756-D762 WeakPolarHBondContact CB-OD1 3.44Å; H757-D762 VanDerWaalsContact CB-OD1 3.29Å; H757-D762 WeakPolarHBondContact CB-OD1 3.31Å; H757-D762 VanDerWaalsContact N-CG 3.33Å; H757-D762 PolarHBondContact N-OD1 2.86Å; H757-D762 PolarHBondContact N-OD2 2.99Å; E760-D762 PolarHBondContact O-N 3.18Å; D762-H779 IonicContact OD2-CE1 2.89Å; D762-H779 IonicContact OD2-NE2 2.93Å; D762-H779 PolarHBondContact OD2-NE2 3.43Å; D762-H779 VanDerWaalsContact OD2-NE2 3.12Å; D762-Y780 CarbonylContact C-O 3.32Å; D762-Y780 WeakPolarHBondContact CA-O 3.34Å; D762-Y780 WeakPolarHBondContact CB-O 3.49Å; D762-H781 HydrophobicContact CB-CB 4.27Å
763F98.6Very high95.2Very high0 Ų025.1 Ų25.10%014%0.142CC..EExtended strand (participates in β ladder)trans-155.3154.1175.260.7-87.6000112.3T750 V751 D752 F761 L765 Y780 L794 Q795 T798T750-F763 HydrophobicContact CG2-CD2 4.47Å; V751-F763 WeakPolarHBondContact O-CA 3.17Å; D752-F763 HydrophobicContact CB-CB 3.79Å; F761-F763 HydrophobicContact CE1-CD1 4.28Å; F763-L765 HydrophobicContact CD2-CB 4.27Å; F763-L765 HydrophobicContact CE2-CB 4.27Å; F763-Y780 AromaticContact CD2-CD2 3.93Å; F763-Y780 HydrophobicContact CD2-CD2 3.93Å; F763-Y780 HydrophobicContact CD2-CG 4.34Å; F763-Y780 AromaticContact CE2-CD2 3.52Å; F763-Y780 HydrophobicContact CE2-CD2 3.52Å; F763-Y780 HydrophobicContact CE2-CE2 4.32Å; F763-Y780 AromaticContact CE2-CG 3.7Å; F763-Y780 HydrophobicContact CE2-CG 3.7Å; F763-Y780 HydrophobicContact CZ-CD2 4.14Å; F763-Y780 AromaticContact CZ-CG 3.82Å; F763-Y780 HydrophobicContact CZ-CG 3.82Å; F763-Y780 PolarHBondContact N-O 3.19Å; F763-Y780 PolarHBondContact O-N 2.85Å; F763-L794 HydrophobicContact CE1-CD2 4.18Å; F763-L794 HydrophobicContact CE1-CG 4.32Å; F763-L794 HydrophobicContact CZ-CG 4.46Å; F763-Q795 HydrophobicContact CD1-CG 4.1Å; F763-Q795 HydrophobicContact CD2-CG 3.81Å; F763-Q795 HydrophobicContact CE1-CG 4.13Å; F763-Q795 HydrophobicContact CE2-CB 4.48Å; F763-Q795 HydrophobicContact CE2-CG 3.85Å; F763-Q795 HydrophobicContact CG-CG 3.94Å; F763-Q795 HydrophobicContact CZ-CG 4.01Å; F763-T798 HydrophobicContact CE2-CG2 4.48Å
764Y98.8Very high95.2Very high3 Ų324.8 Ų24.81%0.01214%0.139CC..EExtended strand (participates in β ladder)trans-97.3135.5168.7-68.2-83.7000110.1H726 T728 T750 V751 I755 T756 P777 S778 H779H726-Y764 AromaticContact CE1-CE1 3.86Å; H726-Y764 AromaticContact ND1-CE1 3.97Å; T728-Y764 HydrophobicContact CG2-CD1 4.23Å; T728-Y764 HydrophobicContact CG2-CE1 3.79Å; T728-Y764 HydrophobicContact CG2-CE2 4.22Å; T728-Y764 PolarHBondContact OG1-OH 3.13Å; T728-Y764 VanDerWaalsContact OG1-OH 3.13Å; T750-Y764 CarbonylContact C-O 3.6Å; T750-Y764 VanDerWaalsContact CA-O 3.22Å; T750-Y764 WeakPolarHBondContact CA-O 3.31Å; V751-Y764 PolarHBondContact N-O 3.38Å; V751-Y764 PolarHBondContact O-N 2.69Å; I755-Y764 HydrophobicContact CD1-CD2 4.3Å; I755-Y764 HydrophobicContact CD1-CE2 4.34Å; T756-Y764 HydrophobicContact CG2-CD2 4.13Å; T756-Y764 HydrophobicContact CG2-CE2 4.31Å; Y764-P777 HydrophobicContact CD1-CG 4.36Å; Y764-S778 CarbonylContact C-O 3.57Å; Y764-S778 WeakPolarHBondContact CA-O 3.33Å; Y764-H779 HydrophobicContact CD1-CB 3.82Å; Y764-H779 AromaticContact CD1-CD2 3.9Å; Y764-H779 HydrophobicContact CE1-CB 3.55Å; Y764-H779 AromaticContact CE1-CD2 3.54Å; Y764-H779 AromaticContact CE1-CG 3.69Å; Y764-H779 AromaticContact CE2-CD2 3.73Å; Y764-H779 AromaticContact CZ-CD2 3.38Å; Y764-H779 AromaticContact CZ-CG 3.87Å; Y764-H779 AromaticContact CZ-NE2 3.92Å
765L98.8Very high95.3Very high0 Ų023 Ų230%013%0.128CC..EExtended strand (participates in β ladder)trans-133.7113.7171.7163.867.3000110.1L407 T750 F763 S767 S778 Y780 T798 Y799L407-L765 HydrophobicContact CD1-CD1 4.22Å; T750-L765 VanDerWaalsContact OG1-CD1 3.29Å; T750-L765 WeakPolarHBondContact OG1-CD1 3.42Å; F763-L765 HydrophobicContact CD2-CB 4.27Å; F763-L765 HydrophobicContact CE2-CB 4.27Å; L765-S767 VanDerWaalsContact C-N 3.34Å; L765-S767 PolarHBondContact O-N 3.02Å; L765-S778 PolarHBondContact N-O 3.49Å; L765-S778 PolarHBondContact O-N 3.41Å; L765-Y780 HydrophobicContact CB-CD2 4.21Å; L765-Y780 HydrophobicContact CB-CE2 3.77Å; L765-Y780 HydrophobicContact CD2-CE2 4.31Å; L765-Y780 HydrophobicContact CG-CE2 4.42Å; L765-T798 HydrophobicContact CD2-CG2 3.88Å; L765-Y799 HydrophobicContact CD1-CD2 4.03Å; L765-Y799 HydrophobicContact CD1-CG 4.32Å; L765-Y799 HydrophobicContact CD2-CD2 4.26Å; L765-Y799 HydrophobicContact CD2-CG 4.44Å
766C98.7Very high95.4Very high0 Ų027.3 Ų27.30%014%0.144CC..EExtended strand (participates in β ladder)trans-8476.9168.6-163.60000110.1V745 A747 G748 T749 H768 P777V745-C766 HydrophobicContact CG2-CB 3.96Å; A747-C766 CarbonylContact C-O 3.56Å; A747-C766 WeakPolarHBondContact CA-O 3.27Å; G748-C766 PolarHBondContact N-O 3.09Å; T749-C766 PolarHBondContact O-N 3.48Å; C766-H768 PolarHBondContact O-N 2.92Å; C766-P777 HydrophobicContact CB-CB 3.91Å
767S98.5Very high95.5Very high0 Ų027.4 Ų27.40%015%0.145CC..  trans-70.9-9.6-174.357.50000115.3L765 Y799 S811 V812 S813L765-S767 VanDerWaalsContact C-N 3.34Å; L765-S767 PolarHBondContact O-N 3.02Å; S767-Y799 WeakPolarHBondContact O-CE2 3.41Å; S767-S811 WeakPolarHBondContact O-CB 3.42Å; S767-S811 PolarHBondContact O-OG 2.94Å; S767-V812 WeakPolarHBondContact CB-O 3.46Å; S767-V812 PolarHBondContact OG-O 3.46Å; S767-S813 VanDerWaalsContact OG-CA 3.29Å; S767-S813 WeakPolarHBondContact OG-CA 3.44Å; S767-S813 PolarHBondContact OG-O 2.89Å
768H98.2Very high95.7Very high30 Ų3026 Ų2614%0.13914%0.138CC..SBendtrans-122.7155-167.862.4-67.2000112.2C766 R776 S811 S813C766-H768 PolarHBondContact O-N 2.92Å; H768-R776 PolarHBondContact CE1-O 3.39Å; H768-S811 WeakPolarHBondContact CB-O 3.4Å; H768-S813 WeakPolarHBondContact ND1-CA 3.31Å; H768-S813 WeakPolarHBondContact ND1-CB 3.44Å
769A96.3Very high96Very high22 Ų2225.2 Ų25.218%0.18213%0.133CC..  trans-74127.8171.300000111.3Q437 I771Q437-A769 WeakPolarHBondContact O-CB 3.26Å; A769-I771 PolarHBondContact O-N 2.9Å; A769-I771 VanDerWaalsContact O-N 3.09Å
770G93.4Very high96.4Very high15 Ų1524.2 Ų24.216%0.15513%0.126CC..  trans-74.191.9175.500000112.4S742 S775S742-G770 PolarHBondContact OG-O 3.25Å; G770-S775 WeakPolarHBondContact CA-OG 3.48Å
771I90.8Very high96.6Very high128 Ų12823.1 Ų23.166%0.65612%0.121SC*.  trans-72.4-41.4-178.3-55.5174.8000111.6A769A769-I771 PolarHBondContact O-N 2.9Å; A769-I771 VanDerWaalsContact O-N 3.09Å
772Q89.2Confident96.7Very high133 Ų13323 Ų2362%0.62112%0.12SC*.SBendtrans-143.7144.2-175.8-178.4-178.9-1100109.4
773G93.6Very high96.7Very high15 Ų1522.9 Ų22.916%0.15512%0.12CC..SBendtrans71.6-161.7178.400000112.6R362 N744R362-G773 CarbonylContact O-C 3.43Å; R362-G773 WeakPolarHBondContact O-CA 3.44Å; N744-G773 PolarHBondContact ND2-O 2.83Å
774T96.6Very high96.6Very high17 Ų1725.5 Ų25.510%0.10413%0.129CC..  trans-92.5131.4168.7-380000110.6R362 S363 A364 R367 F731R362-T774 PolarHBondContact O-N 3.17Å; R362-T774 PolarHBondContact O-OG1 2.86Å; S363-T774 PolarHBondContact O-OG1 2.97Å; A364-T774 HydrophobicContact CB-CG2 3.91Å; R367-T774 WeakPolarHBondContact CB-OG1 3.46Å; R367-T774 WeakPolarHBondContact CD-OG1 3.42Å; F731-T774 HydrophobicContact CD1-CG2 4.42Å; F731-T774 HydrophobicContact CE1-CG2 3.68Å; F731-T774 HydrophobicContact CZ-CG2 4.37Å
775S96.6Very high96.6Very high8 Ų826.5 Ų26.56%0.05614%0.135CC..  trans-65.6151.3178.7-56.80000111N744 G770N744-S775 VanDerWaalsContact OD1-CB 3.31Å; N744-S775 WeakPolarHBondContact OD1-CB 3.48Å; N744-S775 PolarHBondContact OD1-N 2.88Å; N744-S775 PolarHBondContact OD1-OG 3.36Å; G770-S775 WeakPolarHBondContact CA-OG 3.48Å
776R96.9Very high96.5Very high95 Ų9529.7 Ų29.736%0.35815%0.152SC..  trans-108.9103.5173.7-63.7-171.4-179.6-145.2-0.6108.4H768 S778H768-R776 PolarHBondContact CE1-O 3.39Å; R776-S778 PolarHBondContact O-N 3.3Å
777P98.1Very high96.5Very high2 Ų231.3 Ų31.31%0.01316%0.161CC..PPolyproline II helixtrans-68.4117.7178.728.6-33000108.6H726 L730 Y764 C766 H779H726-P777 PolarHBondContact CE1-O 3.26Å; H726-P777 PolarHBondContact NE2-O 3.43Å; L730-P777 HydrophobicContact CD1-CB 3.97Å; L730-P777 HydrophobicContact CD1-CG 3.92Å; L730-P777 HydrophobicContact CG-CG 4.04Å; Y764-P777 HydrophobicContact CD1-CG 4.36Å; C766-P777 HydrophobicContact CB-CB 3.91Å; P777-H779 PolarHBondContact O-N 3.25Å
778S98.3Very high96.4Very high0 Ų036.4 Ų36.40%020%0.195CC..EExtended strand (participates in β ladder)trans-64.8137.9-176.9-67.30000110.3Y764 L765 R776 Y780 S813 I814Y764-S778 CarbonylContact C-O 3.57Å; Y764-S778 WeakPolarHBondContact CA-O 3.33Å; L765-S778 PolarHBondContact N-O 3.49Å; L765-S778 PolarHBondContact O-N 3.41Å; R776-S778 PolarHBondContact O-N 3.3Å; S778-Y780 WeakPolarHBondContact O-CD2 3.37Å; S778-Y780 VanDerWaalsContact O-CE2 3.3Å; S778-Y780 WeakPolarHBondContact O-CE2 3.45Å; S778-S813 WeakPolarHBondContact CB-O 3.47Å; S778-S813 PolarHBondContact OG-O 3.13Å; S778-I814 WeakPolarHBondContact OG-CG2 3.38Å
779H98.3Very high96.4Very high2 Ų235.2 Ų35.21%0.00919%0.19CC..EExtended strand (participates in β ladder)trans-96.7129.7178.2-175.9-130.3000109.9Q723 D762 Y764 P777Q723-H779 HydrophobicContact CB-CB 4.24Å; Q723-H779 PolarHBondContact N-O 3.15Å; Q723-H779 PolarHBondContact O-N 2.9Å; Q723-H779 PolarHBondContact OE1-ND1 3.06Å; Q723-H779 VanDerWaalsContact OE1-ND1 3.14Å; D762-H779 IonicContact OD2-CE1 2.89Å; D762-H779 IonicContact OD2-NE2 2.93Å; D762-H779 PolarHBondContact OD2-NE2 3.43Å; D762-H779 VanDerWaalsContact OD2-NE2 3.12Å; Y764-H779 HydrophobicContact CD1-CB 3.82Å; Y764-H779 AromaticContact CD1-CD2 3.9Å; Y764-H779 HydrophobicContact CE1-CB 3.55Å; Y764-H779 AromaticContact CE1-CD2 3.54Å; Y764-H779 AromaticContact CE1-CG 3.69Å; Y764-H779 AromaticContact CE2-CD2 3.73Å; Y764-H779 AromaticContact CZ-CD2 3.38Å; Y764-H779 AromaticContact CZ-CG 3.87Å; Y764-H779 AromaticContact CZ-NE2 3.92Å; P777-H779 PolarHBondContact O-N 3.25Å
780Y98.5Very high96.5Very high0 Ų037.8 Ų37.80%020%0.203CC..EExtended strand (participates in β ladder)trans-117.5125-179.8-60.5-93.4000107.9Y682 I720 V721 V722 D762 F763 L765 S778 T798 P815Y682-Y780 HydrophobicContact CE1-CD1 4.35Å; Y682-Y780 HydrophobicContact CE1-CE1 4.38Å; I720-Y780 HydrophobicContact CG2-CD1 4.12Å; V721-Y780 WeakPolarHBondContact O-CA 3.14Å; V722-Y780 HydrophobicContact CB-CD1 4.45Å; V722-Y780 HydrophobicContact CB-CE1 4.32Å; V722-Y780 HydrophobicContact CG1-CD1 4.21Å; V722-Y780 HydrophobicContact CG1-CE1 3.7Å; V722-Y780 HydrophobicContact CG2-CD1 3.81Å; V722-Y780 HydrophobicContact CG2-CE1 3.77Å; D762-Y780 CarbonylContact C-O 3.32Å; D762-Y780 WeakPolarHBondContact CA-O 3.34Å; D762-Y780 WeakPolarHBondContact CB-O 3.49Å; F763-Y780 AromaticContact CD2-CD2 3.93Å; F763-Y780 HydrophobicContact CD2-CD2 3.93Å; F763-Y780 HydrophobicContact CD2-CG 4.34Å; F763-Y780 AromaticContact CE2-CD2 3.52Å; F763-Y780 HydrophobicContact CE2-CD2 3.52Å; F763-Y780 HydrophobicContact CE2-CE2 4.32Å; F763-Y780 AromaticContact CE2-CG 3.7Å; F763-Y780 HydrophobicContact CE2-CG 3.7Å; F763-Y780 HydrophobicContact CZ-CD2 4.14Å; F763-Y780 AromaticContact CZ-CG 3.82Å; F763-Y780 HydrophobicContact CZ-CG 3.82Å; F763-Y780 PolarHBondContact N-O 3.19Å; F763-Y780 PolarHBondContact O-N 2.85Å; L765-Y780 HydrophobicContact CB-CD2 4.21Å; L765-Y780 HydrophobicContact CB-CE2 3.77Å; L765-Y780 HydrophobicContact CD2-CE2 4.31Å; L765-Y780 HydrophobicContact CG-CE2 4.42Å; S778-Y780 WeakPolarHBondContact O-CD2 3.37Å; S778-Y780 VanDerWaalsContact O-CE2 3.3Å; S778-Y780 WeakPolarHBondContact O-CE2 3.45Å; Y780-T798 HydrophobicContact CD1-CG2 3.71Å; Y780-T798 HydrophobicContact CD2-CG2 4.41Å; Y780-T798 HydrophobicContact CE1-CG2 3.25Å; Y780-T798 HydrophobicContact CE2-CG2 4.04Å; Y780-T798 HydrophobicContact CG-CG2 4.27Å; Y780-T798 VanDerWaalsContact CZ-CG2 3.42Å; Y780-P815 HydrophobicContact CE1-CG 3.98Å; Y780-P815 WeakPolarHBondContact OH-CD 2.88Å
781H97.6Very high96.7Very high9 Ų937.3 Ų37.34%0.04220%0.197CC..EExtended strand (participates in β ladder)trans-125.2119.1178.4-160.4126.7000108.6M691 I720 V721 E760 D762 L783M691-H781 HydrophobicContact CE-CB 4.14Å; M691-H781 HydrophobicContact SD-CB 4.48Å; I720-H781 WeakPolarHBondContact CA-O 3.26Å; V721-H781 PolarHBondContact N-O 2.9Å; V721-H781 PolarHBondContact O-N 3.04Å; E760-H781 IonicContact OE2-CE1 3.79Å; E760-H781 PolarHBondContact OE2-CE1 2.84Å; E760-H781 IonicContact OE2-NE2 3.87Å; E760-H781 PolarHBondContact OE2-NE2 3.02Å; D762-H781 HydrophobicContact CB-CB 4.27Å; H781-L783 VanDerWaalsContact CD2-CD2 3.47Å; H781-L783 WeakPolarHBondContact CD2-CD2 3.44Å
782V97.9Very high97.1Very high0 Ų032.4 Ų32.40%017%0.173CC..EExtended strand (participates in β ladder)trans-85.9114.2180-171.50000108.5P18 T718 Y719 F761 D785 L794P18-V782 WeakPolarHBondContact CD-O 3.11Å; P18-V782 HydrophobicContact CG-CB 4.32Å; P18-V782 HydrophobicContact CG-CG1 3.85Å; T718-V782 HydrophobicContact CG2-CG1 4.29Å; Y719-V782 WeakPolarHBondContact O-CA 3.44Å; F761-V782 HydrophobicContact CB-CB 4.08Å; F761-V782 HydrophobicContact CB-CG2 4.38Å; F761-V782 HydrophobicContact CD1-CG2 4.41Å; F761-V782 HydrophobicContact CD2-CB 3.8Å; F761-V782 HydrophobicContact CD2-CG1 4.12Å; F761-V782 HydrophobicContact CD2-CG2 3.61Å; F761-V782 HydrophobicContact CE2-CG2 3.92Å; F761-V782 HydrophobicContact CG-CB 4.06Å; F761-V782 HydrophobicContact CG-CG2 3.87Å; F761-V782 HydrophobicContact CZ-CG2 4.43Å; F761-V782 WeakPolarHBondContact O-CB 3.42Å; F761-V782 PolarHBondContact O-N 2.94Å; V782-D785 HydrophobicContact CG1-CB 3.99Å; V782-L794 HydrophobicContact CG2-CD2 3.44Å; V782-L794 VanDerWaalsContact CG2-CD2 3.44Å
783L96.4Very high97.5Very high2 Ų228 Ų281%0.0115%0.152CC..EExtended strand (participates in β ladder)trans-101.3-13.6-177.3-59.9-179.3000113F15 P17 P18 M691 A695 Y719 V721 H781F15-L783 HydrophobicContact CZ-CB 4.03Å; F15-L783 VanDerWaalsContact CZ-O 3.27Å; F15-L783 WeakPolarHBondContact CZ-O 3.41Å; P17-L783 HydrophobicContact CB-CD2 4.28Å; P17-L783 HydrophobicContact CG-CD2 3.99Å; P18-L783 VanDerWaalsContact CD-C 3.46Å; M691-L783 HydrophobicContact CB-CD1 3.9Å; M691-L783 HydrophobicContact CB-CD2 4.43Å; M691-L783 HydrophobicContact CG-CD1 4.37Å; A695-L783 HydrophobicContact CB-CB 4.19Å; A695-L783 HydrophobicContact CB-CD1 3.58Å; Y719-L783 HydrophobicContact CD1-CB 4.01Å; Y719-L783 HydrophobicContact CD1-CD1 4.24Å; Y719-L783 HydrophobicContact CD1-CG 4.46Å; Y719-L783 HydrophobicContact CE1-CD1 4.06Å; Y719-L783 PolarHBondContact O-N 3.33Å; V721-L783 HydrophobicContact CB-CD1 4.49Å; V721-L783 HydrophobicContact CG2-CD1 3.41Å; V721-L783 VanDerWaalsContact CG2-CD1 3.41Å; V721-L783 HydrophobicContact CG2-CG 4.15Å; H781-L783 VanDerWaalsContact CD2-CD2 3.47Å; H781-L783 WeakPolarHBondContact CD2-CD2 3.44Å
784W97.7Very high97.7Very high54 Ų5427.2 Ų27.221%0.20515%0.145CC..EExtended strand (participates in β ladder)trans-158141.3174.4-167.3-94.6000109.4F15 L699 T718 Y719 D786F15-W784 HydrophobicContact CD2-CE3 4.05Å; F15-W784 HydrophobicContact CD2-CZ3 4.3Å; F15-W784 AromaticContact CE2-CE3 3.79Å; F15-W784 HydrophobicContact CE2-CE3 3.79Å; F15-W784 HydrophobicContact CE2-CZ3 4.49Å; L699-W784 HydrophobicContact CD1-CB 4.46Å; L699-W784 HydrophobicContact CD1-CG 4.05Å; L699-W784 HydrophobicContact CD2-CB 4.2Å; L699-W784 HydrophobicContact CD2-CD2 3.51Å; L699-W784 HydrophobicContact CD2-CE3 3.81Å; L699-W784 HydrophobicContact CD2-CG 3.66Å; L699-W784 HydrophobicContact CD2-CZ3 4.48Å; T718-W784 CarbonylContact C-O 3.54Å; T718-W784 WeakPolarHBondContact CA-O 3.42Å; Y719-W784 PolarHBondContact N-O 2.89Å; W784-D786 PolarHBondContact NE1-OD1 2.99Å; W784-D786 PolarHBondContact NE1-OD2 3.29Å; W784-D786 VanDerWaalsContact NE1-OD2 3.12Å
785D97.8Very high97.8Very high25 Ų2526.4 Ų26.413%0.13414%0.14CC..EExtended strand (participates in β ladder)trans-153.193.5176.6-170.122000113.4P18 T718 V782 N787 C788 F789P18-D785 HydrophobicContact CG-CB 4.29Å; T718-D785 WeakPolarHBondContact CB-OD1 3.4Å; T718-D785 HydrophobicContact CG2-CB 4.19Å; T718-D785 WeakPolarHBondContact CG2-OD1 3.47Å; T718-D785 PolarHBondContact OG1-OD1 3.42Å; V782-D785 HydrophobicContact CG1-CB 3.99Å; D785-N787 PolarHBondContact O-N 2.91Å; D785-N787 PolarHBondContact OD1-N 3.33Å; D785-N787 VanDerWaalsContact OD1-N 3.07Å; D785-C788 PolarHBondContact OD1-N 3.23Å; D785-C788 PolarHBondContact OD2-N 3.46Å; D785-F789 WeakPolarHBondContact OD1-CD2 3.48Å; D785-F789 PolarHBondContact OD2-N 3.37Å
786D98Very high97.9Very high66 Ų6627.7 Ų27.735%0.35315%0.146SC..THydrogen-bonded Turntrans-74.1-15.2171.3-58.9-47000112.3R703 I717 W784R703-D786 IonicContact NH2-OD1 2.75Å; R703-D786 IonicContact NH2-OD2 3.96Å; I717-D786 PolarHBondContact N-OD2 3.38Å; I717-D786 PolarHBondContact O-N 3.18Å; W784-D786 PolarHBondContact NE1-OD1 2.99Å; W784-D786 PolarHBondContact NE1-OD2 3.29Å; W784-D786 VanDerWaalsContact NE1-OD2 3.12Å
787N97.5Very high97.9Very high34 Ų3423.2 Ų23.218%0.18213%0.129CC..THydrogen-bonded Turntrans-92.7-2.3-173.2-64.3-59.9000113.3R678 G716 T718 D785 F789R678-N787 VanDerWaalsContact CD-OD1 3.27Å; R678-N787 WeakPolarHBondContact CD-OD1 3.48Å; R678-N787 VanDerWaalsContact CG-OD1 3.22Å; R678-N787 WeakPolarHBondContact CG-OD1 3.13Å; G716-N787 PolarHBondContact O-ND2 2.92Å; T718-N787 PolarHBondContact OG1-ND2 3.05Å; D785-N787 PolarHBondContact O-N 2.91Å; D785-N787 PolarHBondContact OD1-N 3.33Å; D785-N787 VanDerWaalsContact OD1-N 3.07Å; N787-F789 VanDerWaalsContact C-N 3.35Å; N787-F789 HydrophobicContact CB-CD2 3.88Å; N787-F789 HydrophobicContact CB-CE2 3.64Å; N787-F789 PolarHBondContact O-N 3.01Å
788C96.7Very high98Very high107 Ų10723.1 Ų23.172%0.72313%0.128SC*.  trans5148.4176.2-55.30000113.4D785D785-C788 PolarHBondContact OD1-N 3.23Å; D785-C788 PolarHBondContact OD2-N 3.46Å
789F98.2Very high98Very high6 Ų623.3 Ų23.33%0.02613%0.129CC..  trans-61.5140.1178.5-82-81.6000111.6P21 V591 I680 T718 D785 N787 E793 L794 L797P21-F789 WeakPolarHBondContact CG-O 3.12Å; V591-F789 HydrophobicContact CB-CE1 4.15Å; V591-F789 HydrophobicContact CB-CZ 4.12Å; V591-F789 HydrophobicContact CG2-CE1 4.28Å; V591-F789 HydrophobicContact CG2-CZ 3.74Å; I680-F789 HydrophobicContact CD1-CE2 3.6Å; I680-F789 HydrophobicContact CD1-CZ 3.76Å; T718-F789 HydrophobicContact CG2-CD2 3.97Å; T718-F789 HydrophobicContact CG2-CE2 4.16Å; T718-F789 VanDerWaalsContact OG1-CE2 3.3Å; T718-F789 WeakPolarHBondContact OG1-CE2 3.38Å; D785-F789 WeakPolarHBondContact OD1-CD2 3.48Å; D785-F789 PolarHBondContact OD2-N 3.37Å; N787-F789 VanDerWaalsContact C-N 3.35Å; N787-F789 HydrophobicContact CB-CD2 3.88Å; N787-F789 HydrophobicContact CB-CE2 3.64Å; N787-F789 PolarHBondContact O-N 3.01Å; F789-E793 HydrophobicContact CD1-CB 4.12Å; F789-E793 HydrophobicContact CD1-CG 3.84Å; F789-E793 HydrophobicContact CE1-CG 4.05Å; F789-L794 HydrophobicContact CB-CB 4Å; F789-L794 HydrophobicContact CD1-CB 4.26Å; F789-L794 HydrophobicContact CD1-CD1 4.41Å; F789-L794 HydrophobicContact CD2-CD1 4.42Å; F789-L794 HydrophobicContact CG-CB 4.23Å; F789-L794 HydrophobicContact CG-CD1 4.27Å; F789-L797 HydrophobicContact CE1-CD2 3.96Å; F789-L797 HydrophobicContact CZ-CD2 4.02Å
790T98.3Very high98Very high76 Ų7623.9 Ų23.947%0.46613%0.131SC..  trans-74.7160.1161.866.50000110.6D792 E793 L794T790-D792 VanDerWaalsContact C-N 3.34Å; T790-D792 PolarHBondContact O-N 3.46Å; T790-E793 PolarHBondContact O-N 2.98Å; T790-E793 VanDerWaalsContact OG1-CB 3.27Å; T790-E793 WeakPolarHBondContact OG1-CB 3.17Å; T790-E793 PolarHBondContact OG1-N 3.33Å; T790-L794 PolarHBondContact O-N 3.5Å; T790-L794 VanDerWaalsContact O-N 3.11Å
791A98.2Very high98Very high4 Ų423.9 Ų23.93%0.03313%0.131CC..Hα-helixtrans-56.3-47.7174.500000112G22 F761 Q795G22-A791 WeakPolarHBondContact O-CB 3.43Å; F761-A791 HydrophobicContact CE1-CB 4.25Å; F761-A791 HydrophobicContact CZ-CB 4.43Å; A791-Q795 WeakPolarHBondContact O-CB 3.39Å; A791-Q795 WeakPolarHBondContact O-CG 3.34Å; A791-Q795 PolarHBondContact O-N 3.23Å
792D98.2Very high98Very high26 Ų2623.4 Ų23.414%0.13913%0.129CC..Hα-helixtrans-62.7-46179.5-79.4-46000112.5G24 T25 V26 R405 T790 L794 Q795 L796G24-D792 VanDerWaalsContact CA-OD1 3.23Å; G24-D792 WeakPolarHBondContact CA-OD1 3.48Å; T25-D792 PolarHBondContact N-OD1 3.42Å; T25-D792 PolarHBondContact N-OD2 3.24Å; T25-D792 PolarHBondContact OG1-OD2 3.25Å; V26-D792 WeakPolarHBondContact CB-OD1 3.43Å; V26-D792 HydrophobicContact CG2-CB 4.12Å; V26-D792 PolarHBondContact N-OD1 3.46Å; R405-D792 IonicContact NH1-OD1 3.73Å; T790-D792 VanDerWaalsContact C-N 3.34Å; T790-D792 PolarHBondContact O-N 3.46Å; D792-L794 PolarHBondContact O-N 2.81Å; D792-Q795 PolarHBondContact O-N 2.96Å; D792-L796 VanDerWaalsContact O-CB 3.28Å; D792-L796 WeakPolarHBondContact O-CB 3.39Å; D792-L796 VanDerWaalsContact O-CG 3.26Å; D792-L796 WeakPolarHBondContact O-CG 3.47Å; D792-L796 PolarHBondContact O-N 2.9Å
793E97.7Very high98.1Very high39 Ų3923.5 Ų23.518%0.18213%0.13CC..Hα-helixtrans-62.2-46.1-177.9-169.5174.7-166.700111.5P589 S590 V591 F789 T790 L797P589-E793 HydrophobicContact CB-CG 3.89Å; S590-E793 PolarHBondContact N-OE1 3.1Å; S590-E793 PolarHBondContact OG-OE1 3.48Å; V591-E793 PolarHBondContact N-OE1 3.17Å; F789-E793 HydrophobicContact CD1-CB 4.12Å; F789-E793 HydrophobicContact CD1-CG 3.84Å; F789-E793 HydrophobicContact CE1-CG 4.05Å; T790-E793 PolarHBondContact O-N 2.98Å; T790-E793 VanDerWaalsContact OG1-CB 3.27Å; T790-E793 WeakPolarHBondContact OG1-CB 3.17Å; T790-E793 PolarHBondContact OG1-N 3.33Å; E793-L797 WeakPolarHBondContact O-CB 3.26Å; E793-L797 PolarHBondContact O-N 2.68Å
794L98.6Very high98.1Very high0 Ų023.7 Ų23.70%013%0.131CC..Hα-helixtrans-70.4-40.3-179-172.358.6000112.5I720 F761 F763 V782 F789 T790 D792 L797 T798I720-L794 HydrophobicContact CD1-CD1 3.79Å; F761-L794 HydrophobicContact CE2-CD2 3.77Å; F761-L794 HydrophobicContact CZ-CB 4.31Å; F761-L794 HydrophobicContact CZ-CD2 3.79Å; F763-L794 HydrophobicContact CE1-CD2 4.18Å; F763-L794 HydrophobicContact CE1-CG 4.32Å; F763-L794 HydrophobicContact CZ-CG 4.46Å; V782-L794 HydrophobicContact CG2-CD2 3.44Å; V782-L794 VanDerWaalsContact CG2-CD2 3.44Å; F789-L794 HydrophobicContact CB-CB 4Å; F789-L794 HydrophobicContact CD1-CB 4.26Å; F789-L794 HydrophobicContact CD1-CD1 4.41Å; F789-L794 HydrophobicContact CD2-CD1 4.42Å; F789-L794 HydrophobicContact CG-CB 4.23Å; F789-L794 HydrophobicContact CG-CD1 4.27Å; T790-L794 PolarHBondContact O-N 3.5Å; T790-L794 VanDerWaalsContact O-N 3.11Å; D792-L794 PolarHBondContact O-N 2.81Å; L794-L797 HydrophobicContact CD1-CD2 4.37Å; L794-L797 PolarHBondContact O-N 3.04Å; L794-T798 VanDerWaalsContact O-CB 3.29Å; L794-T798 WeakPolarHBondContact O-CB 3.33Å; L794-T798 PolarHBondContact O-N 2.76Å; L794-T798 PolarHBondContact O-OG1 3.24Å
795Q98.7Very high98.2Very high0 Ų021.9 Ų21.90%012%0.124CC..Hα-helixtrans-64.2-45.3177.9-72.2165.113.600111.2L407 T750 D752 F763 A791 D792 T798 Y799L407-Q795 HydrophobicContact CD1-CB 4.11Å; T750-Q795 HydrophobicContact CG2-CG 4.18Å; D752-Q795 PolarHBondContact OD2-NE2 3.22Å; F763-Q795 HydrophobicContact CD1-CG 4.1Å; F763-Q795 HydrophobicContact CD2-CG 3.81Å; F763-Q795 HydrophobicContact CE1-CG 4.13Å; F763-Q795 HydrophobicContact CE2-CB 4.48Å; F763-Q795 HydrophobicContact CE2-CG 3.85Å; F763-Q795 HydrophobicContact CG-CG 3.94Å; F763-Q795 HydrophobicContact CZ-CG 4.01Å; A791-Q795 WeakPolarHBondContact O-CB 3.39Å; A791-Q795 WeakPolarHBondContact O-CG 3.34Å; A791-Q795 PolarHBondContact O-N 3.23Å; D792-Q795 PolarHBondContact O-N 2.96Å; Q795-T798 PolarHBondContact O-N 2.87Å; Q795-Y799 WeakPolarHBondContact O-CB 3.21Å; Q795-Y799 PolarHBondContact O-N 2.88Å
796L98Very high98.1Very high35 Ų3521.1 Ų21.118%0.18312%0.12CC..Hα-helixtrans-63.1-48.6174.9-73.8169.3000111.2V26 L407 P408 D792 T798 Y799 Q800V26-L796 HydrophobicContact CB-CD1 4.49Å; V26-L796 HydrophobicContact CG1-CD1 4.23Å; V26-L796 HydrophobicContact CG1-CD2 4.24Å; V26-L796 HydrophobicContact CG2-CD1 4.44Å; L407-L796 HydrophobicContact CB-CD2 4.43Å; L407-L796 HydrophobicContact CD2-CD2 4.23Å; P408-L796 HydrophobicContact CG-CD2 4.09Å; D792-L796 VanDerWaalsContact O-CB 3.28Å; D792-L796 WeakPolarHBondContact O-CB 3.39Å; D792-L796 VanDerWaalsContact O-CG 3.26Å; D792-L796 WeakPolarHBondContact O-CG 3.47Å; D792-L796 PolarHBondContact O-N 2.9Å; L796-T798 VanDerWaalsContact C-N 3.31Å; L796-T798 PolarHBondContact O-N 3.38Å; L796-Y799 PolarHBondContact O-N 3.45Å; L796-Y799 VanDerWaalsContact O-N 3.15Å; L796-Q800 VanDerWaalsContact O-CG 3.28Å; L796-Q800 WeakPolarHBondContact O-CG 3.35Å; L796-Q800 PolarHBondContact O-N 3Å
797L98.4Very high98.1Very high0 Ų021.9 Ų21.90%012%0.118CC..Hα-helixtrans-54.1-49.2176.5176.861.4000111.5P589 V591 F592 F598 F789 E793 L794 Y799 Q800 L801P589-L797 HydrophobicContact CG-CB 4.04Å; P589-L797 HydrophobicContact CG-CD1 4.29Å; V591-L797 HydrophobicContact CG1-CD1 4.17Å; V591-L797 HydrophobicContact CG1-CD2 4.19Å; F592-L797 HydrophobicContact CE2-CD1 3.58Å; F592-L797 HydrophobicContact CZ-CD1 3.95Å; F598-L797 HydrophobicContact CE1-CD1 3.85Å; F598-L797 HydrophobicContact CE1-CD2 4.14Å; F598-L797 HydrophobicContact CE1-CG 4.34Å; F598-L797 HydrophobicContact CZ-CD1 4.02Å; F789-L797 HydrophobicContact CE1-CD2 3.96Å; F789-L797 HydrophobicContact CZ-CD2 4.02Å; E793-L797 WeakPolarHBondContact O-CB 3.26Å; E793-L797 PolarHBondContact O-N 2.68Å; L794-L797 HydrophobicContact CD1-CD2 4.37Å; L794-L797 PolarHBondContact O-N 3.04Å; L797-Y799 VanDerWaalsContact C-N 3.32Å; L797-Y799 PolarHBondContact O-N 2.83Å; L797-Q800 PolarHBondContact O-N 2.82Å; L797-L801 HydrophobicContact CD1-CD1 4.35Å; L797-L801 HydrophobicContact CD1-CG 4.4Å; L797-L801 HydrophobicContact CG-CD1 4.33Å; L797-L801 WeakPolarHBondContact O-CG 3.48Å; L797-L801 PolarHBondContact O-N 2.98Å
798T98.8Very high98Very high0 Ų021.5 Ų21.50%012%0.118CC..Hα-helixtrans-58.6-44.8178.5-590000111.2Y682 F763 L765 Y780 L794 Q795 L796 L801 C802 P815Y682-T798 HydrophobicContact CE1-CG2 4.19Å; Y682-T798 PolarHBondContact OH-OG1 2.8Å; Y682-T798 VanDerWaalsContact OH-OG1 3.11Å; F763-T798 HydrophobicContact CE2-CG2 4.48Å; L765-T798 HydrophobicContact CD2-CG2 3.88Å; Y780-T798 HydrophobicContact CD1-CG2 3.71Å; Y780-T798 HydrophobicContact CD2-CG2 4.41Å; Y780-T798 HydrophobicContact CE1-CG2 3.25Å; Y780-T798 HydrophobicContact CE2-CG2 4.04Å; Y780-T798 HydrophobicContact CG-CG2 4.27Å; Y780-T798 VanDerWaalsContact CZ-CG2 3.42Å; L794-T798 VanDerWaalsContact O-CB 3.29Å; L794-T798 WeakPolarHBondContact O-CB 3.33Å; L794-T798 PolarHBondContact O-N 2.76Å; L794-T798 PolarHBondContact O-OG1 3.24Å; Q795-T798 PolarHBondContact O-N 2.87Å; L796-T798 VanDerWaalsContact C-N 3.31Å; L796-T798 PolarHBondContact O-N 3.38Å; T798-L801 PolarHBondContact O-N 2.87Å; T798-C802 PolarHBondContact O-N 2.66Å; T798-C802 PolarHBondContact O-SG 2.92Å; T798-P815 HydrophobicContact CG2-CG 3.91Å
799Y98.6Very high98Very high4 Ų416.9 Ų16.92%0.0169%0.086CC..Hα-helixtrans-67.1-39.9178.1-170.8-140.1000112.4L407 A409 A747 G748 L765 S767 Q795 L796 L797 L801 C802 H803L407-Y799 HydrophobicContact CB-CD1 3.72Å; L407-Y799 HydrophobicContact CB-CE1 4.05Å; L407-Y799 HydrophobicContact CD1-CD1 4.34Å; L407-Y799 HydrophobicContact CD1-CG 4.42Å; A409-Y799 HydrophobicContact CB-CE1 4.25Å; A747-Y799 PolarHBondContact O-OH 3.38Å; G748-Y799 VanDerWaalsContact CA-CZ 3.43Å; G748-Y799 PolarHBondContact N-OH 3.27Å; L765-Y799 HydrophobicContact CD1-CD2 4.03Å; L765-Y799 HydrophobicContact CD1-CG 4.32Å; L765-Y799 HydrophobicContact CD2-CD2 4.26Å; L765-Y799 HydrophobicContact CD2-CG 4.44Å; S767-Y799 WeakPolarHBondContact O-CE2 3.41Å; Q795-Y799 WeakPolarHBondContact O-CB 3.21Å; Q795-Y799 PolarHBondContact O-N 2.88Å; L796-Y799 PolarHBondContact O-N 3.45Å; L796-Y799 VanDerWaalsContact O-N 3.15Å; L797-Y799 VanDerWaalsContact C-N 3.32Å; L797-Y799 PolarHBondContact O-N 2.83Å; Y799-L801 PolarHBondContact O-N 3.17Å; Y799-C802 VanDerWaalsContact O-CB 3.28Å; Y799-C802 WeakPolarHBondContact O-CB 3.43Å; Y799-C802 PolarHBondContact O-N 3.22Å; Y799-C802 VanDerWaalsContact O-N 3.12Å; Y799-H803 AromaticContact CD2-CE1 3.83Å; Y799-H803 AromaticContact CE1-CE1 3.97Å; Y799-H803 AromaticContact CE2-CE1 3.46Å; Y799-H803 VanDerWaalsContact CE2-CE1 3.46Å; Y799-H803 WeakPolarHBondContact CE2-CE1 3.49Å; Y799-H803 AromaticContact CZ-CE1 3.54Å; Y799-H803 PolarHBondContact O-CE1 2.92Å; Y799-H803 PolarHBondContact O-ND1 3.14Å
800Q98.3Very high98Very high14 Ų1420.3 Ų20.37%0.06510%0.099CC..Hα-helixtrans-62.7-42.8176.3-69.5-171.8-0.300112P410 L583 Q587 L796 L797 C802 H803P410-Q800 HydrophobicContact CB-CG 3.94Å; P410-Q800 HydrophobicContact CG-CB 4.37Å; P410-Q800 HydrophobicContact CG-CG 4.04Å; L583-Q800 HydrophobicContact CD1-CB 3.92Å; L583-Q800 HydrophobicContact CD2-CB 4.14Å; Q587-Q800 PolarHBondContact O-NE2 3.49Å; L796-Q800 VanDerWaalsContact O-CG 3.28Å; L796-Q800 WeakPolarHBondContact O-CG 3.35Å; L796-Q800 PolarHBondContact O-N 3Å; L797-Q800 PolarHBondContact O-N 2.82Å; Q800-C802 PolarHBondContact O-N 3.34Å; Q800-C802 VanDerWaalsContact O-N 3.16Å; Q800-H803 WeakPolarHBondContact O-CB 3.35Å; Q800-H803 PolarHBondContact O-N 3.38Å
801L98.6Very high98Very high0 Ų016.9 Ų16.90%08%0.078CC..Hα-helixtrans-63.1-21.6176-68.3173.7000113.1F598 P627 Y682 L797 T798 Y799 H803 T804 P815 A816F598-L801 HydrophobicContact CD1-CD1 3.7Å; F598-L801 HydrophobicContact CD1-CD2 4.27Å; F598-L801 HydrophobicContact CE1-CD1 3.94Å; F598-L801 HydrophobicContact CE1-CD2 4.43Å; F598-L801 HydrophobicContact CG-CD1 4.49Å; F598-L801 HydrophobicContact CG-CD2 4.41Å; P627-L801 HydrophobicContact CG-CD2 4.08Å; Y682-L801 HydrophobicContact CD2-CD1 4.46Å; Y682-L801 HydrophobicContact CE2-CD1 3.5Å; L797-L801 HydrophobicContact CD1-CD1 4.35Å; L797-L801 HydrophobicContact CD1-CG 4.4Å; L797-L801 HydrophobicContact CG-CD1 4.33Å; L797-L801 WeakPolarHBondContact O-CG 3.48Å; L797-L801 PolarHBondContact O-N 2.98Å; T798-L801 PolarHBondContact O-N 2.87Å; Y799-L801 PolarHBondContact O-N 3.17Å; L801-H803 PolarHBondContact O-N 3.21Å; L801-T804 PolarHBondContact O-N 3.41Å; L801-T804 PolarHBondContact O-OG1 2.83Å; L801-P815 HydrophobicContact CB-CB 3.89Å; L801-A816 WeakPolarHBondContact O-CB 3.08Å; L801-A816 PolarHBondContact O-N 3.15Å; L801-A816 VanDerWaalsContact O-N 3.08Å
802C98.6Very high97.9Very high0 Ų017.3 Ų17.30%08%0.081CC..THydrogen-bonded Turntrans-71.5-13.5172.2-65.20000113.5T798 Y799 Q800 S811 V812T798-C802 PolarHBondContact O-N 2.66Å; T798-C802 PolarHBondContact O-SG 2.92Å; Y799-C802 VanDerWaalsContact O-CB 3.28Å; Y799-C802 WeakPolarHBondContact O-CB 3.43Å; Y799-C802 PolarHBondContact O-N 3.22Å; Y799-C802 VanDerWaalsContact O-N 3.12Å; Q800-C802 PolarHBondContact O-N 3.34Å; Q800-C802 VanDerWaalsContact O-N 3.16Å; C802-S811 WeakPolarHBondContact O-CA 3.32Å; C802-V812 WeakPolarHBondContact CB-O 2.89Å; C802-V812 VanDerWaalsContact O-CG2 3.24Å; C802-V812 WeakPolarHBondContact O-CG2 3.43Å; C802-V812 PolarHBondContact O-N 2.81Å
803H98.4Very high97.9Very high1 Ų116.4 Ų16.41%0.0058%0.076CC..THydrogen-bonded Turntrans-97.8-7.8177.6-62.475.5000113.2P410 L412 W440 Y799 Q800 L801 Y805 S811P410-H803 VanDerWaalsContact CD-CE1 3.5Å; P410-H803 WeakPolarHBondContact CD-CE1 3.42Å; P410-H803 HydrophobicContact CG-CB 3.96Å; L412-H803 HydrophobicContact CD2-CB 4.17Å; W440-H803 HydrophobicContact CH2-CB 4.28Å; W440-H803 AromaticContact CZ3-CD2 3.73Å; Y799-H803 AromaticContact CD2-CE1 3.83Å; Y799-H803 AromaticContact CE1-CE1 3.97Å; Y799-H803 AromaticContact CE2-CE1 3.46Å; Y799-H803 VanDerWaalsContact CE2-CE1 3.46Å; Y799-H803 WeakPolarHBondContact CE2-CE1 3.49Å; Y799-H803 AromaticContact CZ-CE1 3.54Å; Y799-H803 PolarHBondContact O-CE1 2.92Å; Y799-H803 PolarHBondContact O-ND1 3.14Å; Q800-H803 WeakPolarHBondContact O-CB 3.35Å; Q800-H803 PolarHBondContact O-N 3.38Å; L801-H803 PolarHBondContact O-N 3.21Å; H803-Y805 VanDerWaalsContact C-N 3.31Å; H803-Y805 PolarHBondContact O-N 3.32Å; H803-S811 PolarHBondContact CE1-OG 2.85Å; H803-S811 WeakPolarHBondContact NE2-CB 3.05Å
804T97.8Very high98Very high6 Ų615.1 Ų15.14%0.0377%0.071CC..  trans-896.2-178.564.70000113.6L583 L801 V806 A816 Y820L583-T804 HydrophobicContact CD1-CG2 3.87Å; L583-T804 HydrophobicContact CD2-CG2 4.23Å; L583-T804 HydrophobicContact CG-CG2 3.87Å; L801-T804 PolarHBondContact O-N 3.41Å; L801-T804 PolarHBondContact O-OG1 2.83Å; T804-V806 PolarHBondContact O-N 3.03Å; T804-A816 WeakPolarHBondContact OG1-CB 3.33Å; T804-Y820 PolarHBondContact O-OH 2.89Å
805Y98.2Very high98Very high16 Ų1615.1 Ų15.16%0.0637%0.071CC..  trans-76.8113.8-178.4-178.1-110.6000111.9H803 R807 V812 Y819 Y820 L823H803-Y805 VanDerWaalsContact C-N 3.31Å; H803-Y805 PolarHBondContact O-N 3.32Å; Y805-R807 VanDerWaalsContact C-N 3.29Å; Y805-R807 HydrophobicContact CD1-CB 4.18Å; Y805-R807 HydrophobicContact CE1-CB 3.6Å; Y805-R807 HydrophobicContact CE1-CG 4.2Å; Y805-R807 HydrophobicContact CE2-CG 4.46Å; Y805-R807 PolarHBondContact O-N 2.88Å; Y805-R807 VanDerWaalsContact O-N 3.14Å; Y805-R807 WeakPolarHBondContact OH-CD 3.22Å; Y805-V812 HydrophobicContact CD1-CG1 3.44Å; Y805-V812 VanDerWaalsContact CD1-CG1 3.44Å; Y805-V812 HydrophobicContact CD1-CG2 4.43Å; Y805-V812 HydrophobicContact CE1-CG1 3.95Å; Y805-V812 HydrophobicContact CG-CG1 3.96Å; Y805-V812 HydrophobicContact CG-CG2 4.09Å; Y805-Y819 HydrophobicContact CD2-CG 4.3Å; Y805-Y819 AromaticContact CE2-CD1 3.8Å; Y805-Y819 HydrophobicContact CE2-CD1 3.8Å; Y805-Y819 HydrophobicContact CE2-CE1 4.49Å; Y805-Y819 AromaticContact CE2-CG 3.85Å; Y805-Y819 HydrophobicContact CE2-CG 3.85Å; Y805-Y819 AromaticContact CZ-CD1 3.88Å; Y805-Y819 WeakPolarHBondContact OH-CE1 3.42Å; Y805-Y820 WeakPolarHBondContact CA-OH 3.35Å; Y805-Y820 AromaticContact CD2-CD1 3.98Å; Y805-Y820 HydrophobicContact CD2-CD1 3.98Å; Y805-Y820 AromaticContact CD2-CE1 3.33Å; Y805-Y820 HydrophobicContact CD2-CE1 3.33Å; Y805-Y820 AromaticContact CD2-CZ 3.86Å; Y805-Y820 AromaticContact CE2-CD1 3.86Å; Y805-Y820 HydrophobicContact CE2-CD1 3.86Å; Y805-Y820 AromaticContact CE2-CE1 3.53Å; Y805-Y820 HydrophobicContact CE2-CE1 3.53Å; Y805-Y820 HydrophobicContact CG-CE1 4.45Å; Y805-L823 HydrophobicContact CE2-CD1 4.19Å
806V97Very high97.9Very high9 Ų915.1 Ų15.16%0.0557%0.071CC..THydrogen-bonded Turntrans-70.8-15-164.9-64.20000115.3L570 A574 N580 T804 Y820 M871 A874L570-V806 WeakPolarHBondContact CB-O 3.24Å; A574-V806 HydrophobicContact CB-CB 4.21Å; A574-V806 HydrophobicContact CB-CG2 3.87Å; N580-V806 PolarHBondContact ND2-O 3.29Å; T804-V806 PolarHBondContact O-N 3.03Å; V806-Y820 WeakPolarHBondContact CG1-OH 3.32Å; V806-Y820 HydrophobicContact CG2-CE1 4.15Å; V806-Y820 WeakPolarHBondContact CG2-OH 3.47Å; V806-Y820 PolarHBondContact N-OH 3.13Å; V806-M871 HydrophobicContact CG1-CE 4.49Å; V806-M871 HydrophobicContact CG2-CE 4Å; V806-A874 HydrophobicContact CG2-CB 4.48Å
807R96.8Very high98Very high82 Ų8213.5 Ų13.531%0.3096%0.062SC..THydrogen-bonded Turntrans-86.2-8.2-170.6-62-179.457.2171.9-0.3114.9K571 Y805 A874K571-R807 HydrophobicContact CG-CG 4.25Å; Y805-R807 VanDerWaalsContact C-N 3.29Å; Y805-R807 HydrophobicContact CD1-CB 4.18Å; Y805-R807 HydrophobicContact CE1-CB 3.6Å; Y805-R807 HydrophobicContact CE1-CG 4.2Å; Y805-R807 HydrophobicContact CE2-CG 4.46Å; Y805-R807 PolarHBondContact O-N 2.88Å; Y805-R807 VanDerWaalsContact O-N 3.14Å; Y805-R807 WeakPolarHBondContact OH-CD 3.22Å; R807-A874 WeakPolarHBondContact CD-OXT 3.41Å; R807-A874 VanDerWaalsContact CG-OXT 3.26Å; R807-A874 WeakPolarHBondContact CG-OXT 3.35Å; R807-A874 PolarHBondContact NE-OXT 3.03Å
808C96.1Very high97.9Very high26 Ų2613.6 Ų13.618%0.1766%0.063CC..SBendtrans-155.4158.7177.556.20000111.5R810C808-R810 HydrophobicContact CB-CG 4.4Å; C808-R810 PolarHBondContact O-N 2.92Å
809T96.6Very high97.9Very high10 Ų1016.5 Ų16.56%0.0618%0.075CC..SBendtrans-89.255.8171.1540000111.5W440 M442 L570W440-T809 VanDerWaalsContact CE2-CA 3.41Å; W440-T809 VanDerWaalsContact CZ2-CA 3.47Å; W440-T809 PolarHBondContact N-O 3.14Å; W440-T809 VanDerWaalsContact N-O 3.07Å; W440-T809 WeakPolarHBondContact O-CB 3.39Å; W440-T809 PolarHBondContact O-OG1 3.19Å; M442-T809 HydrophobicContact CG-CG2 3.72Å; M442-T809 HydrophobicContact SD-CG2 4.5Å; L570-T809 HydrophobicContact CD1-CG2 4.49Å
810R97.4Very high97.9Very high78 Ų7816.3 Ų16.329%0.2947%0.074SC..BIsolated β-bridgetrans-143.4147.9-177.9-55.2179.870.488.52.2110G438 V439 W440 C808 V812G438-R810 WeakPolarHBondContact O-CA 3.43Å; V439-R810 HydrophobicContact CG1-CG 4.38Å; V439-R810 HydrophobicContact CG2-CG 4.47Å; V439-R810 VanDerWaalsContact CG2-CZ 3.41Å; V439-R810 VanDerWaalsContact CG2-NH1 3.34Å; W440-R810 VanDerWaalsContact CH2-C 3.43Å; W440-R810 VanDerWaalsContact CH2-N 3.3Å; W440-R810 VanDerWaalsContact CZ3-CA 3.44Å; C808-R810 HydrophobicContact CB-CG 4.4Å; C808-R810 PolarHBondContact O-N 2.92Å; R810-V812 PolarHBondContact O-N 2.83Å
811S98.3Very high97.8Very high4 Ų415.7 Ų15.73%0.0287%0.071CC..  trans-69.3122.9164.6-174.70000109.1G438 S767 H768 C802 H803G438-S811 PolarHBondContact O-N 2.75Å; S767-S811 WeakPolarHBondContact O-CB 3.42Å; S767-S811 PolarHBondContact O-OG 2.94Å; H768-S811 WeakPolarHBondContact CB-O 3.4Å; C802-S811 WeakPolarHBondContact O-CA 3.32Å; H803-S811 PolarHBondContact CE1-OG 2.85Å; H803-S811 WeakPolarHBondContact NE2-CB 3.05Å
812V98.1Very high97.7Very high14 Ų1418.7 Ų18.79%0.0858%0.082CC..  trans-89.7162179.3-710000111.5S767 C802 Y805 R810 I814 Y819S767-V812 WeakPolarHBondContact CB-O 3.46Å; S767-V812 PolarHBondContact OG-O 3.46Å; C802-V812 WeakPolarHBondContact CB-O 2.89Å; C802-V812 VanDerWaalsContact O-CG2 3.24Å; C802-V812 WeakPolarHBondContact O-CG2 3.43Å; C802-V812 PolarHBondContact O-N 2.81Å; Y805-V812 HydrophobicContact CD1-CG1 3.44Å; Y805-V812 VanDerWaalsContact CD1-CG1 3.44Å; Y805-V812 HydrophobicContact CD1-CG2 4.43Å; Y805-V812 HydrophobicContact CE1-CG1 3.95Å; Y805-V812 HydrophobicContact CG-CG1 3.96Å; Y805-V812 HydrophobicContact CG-CG2 4.09Å; R810-V812 PolarHBondContact O-N 2.83Å; V812-I814 WeakPolarHBondContact CG2-O 3.34Å; V812-I814 PolarHBondContact O-N 3.5Å; V812-Y819 HydrophobicContact CB-CD2 4.1Å; V812-Y819 HydrophobicContact CB-CE2 4.14Å; V812-Y819 HydrophobicContact CG1-CE2 4.39Å; V812-Y819 HydrophobicContact CG2-CD2 4.15Å
813S97.8Very high97.6Very high6 Ų619.8 Ų19.84%0.0429%0.088CC..SBendtrans-69.8-14-171.9600000115.9K724 S767 H768 S778K724-S813 WeakPolarHBondContact CE-OG 3.48Å; K724-S813 PolarHBondContact NZ-OG 2.9Å; S767-S813 VanDerWaalsContact OG-CA 3.29Å; S767-S813 WeakPolarHBondContact OG-CA 3.44Å; S767-S813 PolarHBondContact OG-O 2.89Å; H768-S813 WeakPolarHBondContact ND1-CA 3.31Å; H768-S813 WeakPolarHBondContact ND1-CB 3.44Å; S778-S813 WeakPolarHBondContact CB-O 3.47Å; S778-S813 PolarHBondContact OG-O 3.13Å
814I98.3Very high97.6Very high13 Ų1319.8 Ų19.87%0.0679%0.088CC..SBendtrans-144.5156.6-179.355.7176.2000107.8V722 K724 S778 V812 A818 Y819V722-I814 HydrophobicContact CG1-CB 4.24Å; V722-I814 HydrophobicContact CG1-CG2 3.68Å; K724-I814 HydrophobicContact CB-CG2 4.29Å; K724-I814 HydrophobicContact CD-CG2 4.37Å; S778-I814 WeakPolarHBondContact OG-CG2 3.38Å; V812-I814 WeakPolarHBondContact CG2-O 3.34Å; V812-I814 PolarHBondContact O-N 3.5Å; I814-A818 HydrophobicContact CD1-CB 4.25Å; I814-Y819 HydrophobicContact CD1-CD2 3.92Å; I814-Y819 HydrophobicContact CD1-CG 4.17Å; I814-Y819 HydrophobicContact CG1-CD2 3.47Å; I814-Y819 VanDerWaalsContact CG1-CD2 3.47Å; I814-Y819 HydrophobicContact CG1-CE2 4.17Å; I814-Y819 HydrophobicContact CG1-CG 4.11Å
815P98.6Very high97.5Very high0 Ų019.5 Ų19.50%09%0.086CC..  trans-54.3143.7179.8-28.838.4000111.8Y682 Y780 T798 L801 P817 A818 Y819Y682-P815 HydrophobicContact CD1-CG 3.92Å; Y682-P815 HydrophobicContact CE1-CG 3.79Å; Y682-P815 HydrophobicContact CG-CG 4.42Å; Y780-P815 HydrophobicContact CE1-CG 3.98Å; Y780-P815 WeakPolarHBondContact OH-CD 2.88Å; T798-P815 HydrophobicContact CG2-CG 3.91Å; L801-P815 HydrophobicContact CB-CB 3.89Å; P815-P817 VanDerWaalsContact C-CD 3.44Å; P815-P817 VanDerWaalsContact C-N 3.33Å; P815-P817 HydrophobicContact CB-CG 4.03Å; P815-A818 PolarHBondContact O-N 3.21Å; P815-A818 VanDerWaalsContact O-N 3.12Å; P815-Y819 PolarHBondContact O-N 3.24Å
816A98.4Very high97.2Very high0 Ų022.8 Ų22.80%010%0.101CC..Hα-helixtrans-47-45.6176.900000114.3L801 T804 A818 Y819 Y820L801-A816 WeakPolarHBondContact O-CB 3.08Å; L801-A816 PolarHBondContact O-N 3.15Å; L801-A816 VanDerWaalsContact O-N 3.08Å; T804-A816 WeakPolarHBondContact OG1-CB 3.33Å; A816-A818 PolarHBondContact O-N 2.9Å; A816-Y819 WeakPolarHBondContact O-CB 3.45Å; A816-Y819 PolarHBondContact O-N 2.89Å; A816-Y819 VanDerWaalsContact O-N 3.12Å; A816-Y820 HydrophobicContact CB-CD2 4.31Å; A816-Y820 HydrophobicContact CB-CE2 3.71Å; A816-Y820 WeakPolarHBondContact O-CB 3.37Å; A816-Y820 WeakPolarHBondContact O-CD2 3.36Å; A816-Y820 PolarHBondContact O-N 2.83Å
817P98.3Very high97.2Very high0 Ų023 Ų230%010%0.101CC..Hα-helixtrans-55.9-48.7176.915.7-29.4000113.3V620 Y630 Y682 P815 Y819 Y820 A821V620-P817 HydrophobicContact CG2-CB 4.26Å; V620-P817 WeakPolarHBondContact CG2-O 3.5Å; Y630-P817 HydrophobicContact CE1-CB 3.77Å; Y630-P817 HydrophobicContact CE1-CG 4.43Å; Y682-P817 HydrophobicContact CD2-CG 4.15Å; P815-P817 VanDerWaalsContact C-CD 3.44Å; P815-P817 VanDerWaalsContact C-N 3.33Å; P815-P817 HydrophobicContact CB-CG 4.03Å; P817-Y819 VanDerWaalsContact C-N 3.29Å; P817-Y819 PolarHBondContact O-N 2.88Å; P817-Y820 PolarHBondContact O-N 3.16Å; P817-A821 PolarHBondContact O-N 2.83Å
818A97.6Very high97.1Very high3 Ų319.1 Ų19.13%0.0259%0.086CC..Hα-helixtrans-63.5-36.3177.700000111.9I814 P815 A816 R822I814-A818 HydrophobicContact CD1-CB 4.25Å; P815-A818 PolarHBondContact O-N 3.21Å; P815-A818 VanDerWaalsContact O-N 3.12Å; A816-A818 PolarHBondContact O-N 2.9Å; A818-R822 PolarHBondContact O-N 3.16Å
819Y97.6Very high96.8Very high61 Ų6120 Ų2024%0.2399%0.086CC..Hα-helixtrans-66.6-42.5175.4-139.9-57.2000111.7Y805 V812 I814 P815 A816 P817 R822 L823Y805-Y819 HydrophobicContact CD2-CG 4.3Å; Y805-Y819 AromaticContact CE2-CD1 3.8Å; Y805-Y819 HydrophobicContact CE2-CD1 3.8Å; Y805-Y819 HydrophobicContact CE2-CE1 4.49Å; Y805-Y819 AromaticContact CE2-CG 3.85Å; Y805-Y819 HydrophobicContact CE2-CG 3.85Å; Y805-Y819 AromaticContact CZ-CD1 3.88Å; Y805-Y819 WeakPolarHBondContact OH-CE1 3.42Å; V812-Y819 HydrophobicContact CB-CD2 4.1Å; V812-Y819 HydrophobicContact CB-CE2 4.14Å; V812-Y819 HydrophobicContact CG1-CE2 4.39Å; V812-Y819 HydrophobicContact CG2-CD2 4.15Å; I814-Y819 HydrophobicContact CD1-CD2 3.92Å; I814-Y819 HydrophobicContact CD1-CG 4.17Å; I814-Y819 HydrophobicContact CG1-CD2 3.47Å; I814-Y819 VanDerWaalsContact CG1-CD2 3.47Å; I814-Y819 HydrophobicContact CG1-CE2 4.17Å; I814-Y819 HydrophobicContact CG1-CG 4.11Å; P815-Y819 PolarHBondContact O-N 3.24Å; A816-Y819 WeakPolarHBondContact O-CB 3.45Å; A816-Y819 PolarHBondContact O-N 2.89Å; A816-Y819 VanDerWaalsContact O-N 3.12Å; P817-Y819 VanDerWaalsContact C-N 3.29Å; P817-Y819 PolarHBondContact O-N 2.88Å; Y819-R822 PolarHBondContact O-N 3.31Å; Y819-L823 HydrophobicContact CD1-CG 4.43Å; Y819-L823 WeakPolarHBondContact O-CG 3.28Å; Y819-L823 PolarHBondContact O-N 3.5Å; Y819-L823 VanDerWaalsContact O-N 3.12Å
820Y98.5Very high96.6Very high0 Ų024.6 Ų24.60%010%0.103CC..Hα-helixtrans-66.6-43.3179.7-65.1-34.9000112.3Y630 T804 Y805 V806 A816 P817 R822 L823 V824 M871 F873Y630-Y820 HydrophobicContact CD1-CD2 4.16Å; Y630-Y820 AromaticContact CD2-CD2 3.67Å; Y630-Y820 HydrophobicContact CD2-CD2 3.67Å; Y630-Y820 AromaticContact CD2-CE2 3.4Å; Y630-Y820 HydrophobicContact CD2-CE2 3.4Å; Y630-Y820 HydrophobicContact CE2-CD2 4.09Å; Y630-Y820 AromaticContact CE2-CE2 3.67Å; Y630-Y820 HydrophobicContact CE2-CE2 3.67Å; Y630-Y820 AromaticContact CG-CD2 3.72Å; Y630-Y820 HydrophobicContact CG-CD2 3.72Å; Y630-Y820 AromaticContact CG-CE2 3.96Å; Y630-Y820 HydrophobicContact CG-CE2 3.96Å; T804-Y820 PolarHBondContact O-OH 2.89Å; Y805-Y820 WeakPolarHBondContact CA-OH 3.35Å; Y805-Y820 AromaticContact CD2-CD1 3.98Å; Y805-Y820 HydrophobicContact CD2-CD1 3.98Å; Y805-Y820 AromaticContact CD2-CE1 3.33Å; Y805-Y820 HydrophobicContact CD2-CE1 3.33Å; Y805-Y820 AromaticContact CD2-CZ 3.86Å; Y805-Y820 AromaticContact CE2-CD1 3.86Å; Y805-Y820 HydrophobicContact CE2-CD1 3.86Å; Y805-Y820 AromaticContact CE2-CE1 3.53Å; Y805-Y820 HydrophobicContact CE2-CE1 3.53Å; Y805-Y820 HydrophobicContact CG-CE1 4.45Å; V806-Y820 WeakPolarHBondContact CG1-OH 3.32Å; V806-Y820 HydrophobicContact CG2-CE1 4.15Å; V806-Y820 WeakPolarHBondContact CG2-OH 3.47Å; V806-Y820 PolarHBondContact N-OH 3.13Å; A816-Y820 HydrophobicContact CB-CD2 4.31Å; A816-Y820 HydrophobicContact CB-CE2 3.71Å; A816-Y820 WeakPolarHBondContact O-CB 3.37Å; A816-Y820 WeakPolarHBondContact O-CD2 3.36Å; A816-Y820 PolarHBondContact O-N 2.83Å; P817-Y820 PolarHBondContact O-N 3.16Å; Y820-R822 PolarHBondContact O-N 2.86Å; Y820-L823 HydrophobicContact CD1-CD1 4.31Å; Y820-L823 WeakPolarHBondContact O-CA 3.49Å; Y820-L823 WeakPolarHBondContact O-CB 3.41Å; Y820-L823 PolarHBondContact O-N 3.18Å; Y820-V824 WeakPolarHBondContact O-CG2 3.15Å; Y820-V824 PolarHBondContact O-N 3.33Å; Y820-M871 HydrophobicContact CD2-CE 4.38Å; Y820-M871 HydrophobicContact CE1-CE 4.07Å; Y820-M871 HydrophobicContact CE2-CE 3.89Å; Y820-F873 HydrophobicContact CD1-CD2 4.24Å; Y820-F873 AromaticContact CD1-CE2 3.75Å; Y820-F873 HydrophobicContact CD1-CE2 3.75Å; Y820-F873 HydrophobicContact CD2-CE2 4.42Å; Y820-F873 HydrophobicContact CG-CD2 4.47Å; Y820-F873 AromaticContact CG-CE2 3.71Å; Y820-F873 HydrophobicContact CG-CE2 3.71Å
821A97.9Very high96.3Very high0 Ų021.2 Ų21.20%09%0.09CC..Hα-helixtrans-53-44.5174.300000111.6G600 D602 A618 V620 P817 L823 V824 A825G600-A821 WeakPolarHBondContact O-CB 3.43Å; D602-A821 HydrophobicContact CB-CB 4.01Å; A618-A821 VanDerWaalsContact CB-O 3.27Å; A618-A821 WeakPolarHBondContact CB-O 3.39Å; V620-A821 HydrophobicContact CG2-CB 4.37Å; P817-A821 PolarHBondContact O-N 2.83Å; A821-L823 PolarHBondContact O-N 3.45Å; A821-V824 WeakPolarHBondContact O-CB 3.29Å; A821-V824 PolarHBondContact O-N 3.25Å; A821-A825 PolarHBondContact O-N 3.01Å
822R95.4Very high95.9Very high63 Ų6321.9 Ų21.924%0.2389%0.093CC..Hα-helixtrans-64.4-37.1175.6-170.9170.6-177.3-159.5-4.9113.4D602 A818 Y819 Y820 F826D602-R822 HydrophobicContact CB-CB 4.41Å; A818-R822 PolarHBondContact O-N 3.16Å; Y819-R822 PolarHBondContact O-N 3.31Å; Y820-R822 PolarHBondContact O-N 2.86Å; R822-F826 HydrophobicContact CG-CD2 3.98Å; R822-F826 HydrophobicContact CG-CE2 3.56Å; R822-F826 HydrophobicContact CG-CZ 4.1Å; R822-F826 WeakPolarHBondContact O-CD2 3.32Å; R822-F826 WeakPolarHBondContact O-CG 3.47Å; R822-F826 PolarHBondContact O-N 3.39Å
823L97.1Very high95.1Very high24 Ų2423.7 Ų23.713%0.12610%0.104CC..Hα-helixtrans-65.9-38.6174.2-68.2-178.9000112Y805 Y819 Y820 A821 F826 R827 F873Y805-L823 HydrophobicContact CE2-CD1 4.19Å; Y819-L823 HydrophobicContact CD1-CG 4.43Å; Y819-L823 WeakPolarHBondContact O-CG 3.28Å; Y819-L823 PolarHBondContact O-N 3.5Å; Y819-L823 VanDerWaalsContact O-N 3.12Å; Y820-L823 HydrophobicContact CD1-CD1 4.31Å; Y820-L823 WeakPolarHBondContact O-CA 3.49Å; Y820-L823 WeakPolarHBondContact O-CB 3.41Å; Y820-L823 PolarHBondContact O-N 3.18Å; A821-L823 PolarHBondContact O-N 3.45Å; L823-F826 PolarHBondContact O-N 3.01Å; L823-R827 WeakPolarHBondContact O-CB 3.35Å; L823-R827 PolarHBondContact O-N 3.15Å; L823-F873 HydrophobicContact CB-CB 4.28Å; L823-F873 HydrophobicContact CB-CD2 4.42Å
824V98.1Very high93.5Very high0 Ų026.4 Ų26.40%012%0.118CC..Hα-helixtrans-63.9-48.8175.9172.60000110.4A618 V620 A632 V634 Y820 A821 F826 R827 A828 F873A618-V824 HydrophobicContact CB-CB 3.84Å; A618-V824 HydrophobicContact CB-CG1 3.63Å; V620-V824 HydrophobicContact CG1-CG2 3.87Å; A632-V824 HydrophobicContact CB-CB 4.46Å; A632-V824 HydrophobicContact CB-CG1 4.08Å; A632-V824 HydrophobicContact CB-CG2 3.51Å; V634-V824 HydrophobicContact CB-CG1 3.85Å; V634-V824 HydrophobicContact CG2-CG1 4.13Å; Y820-V824 WeakPolarHBondContact O-CG2 3.15Å; Y820-V824 PolarHBondContact O-N 3.33Å; A821-V824 WeakPolarHBondContact O-CB 3.29Å; A821-V824 PolarHBondContact O-N 3.25Å; V824-F826 VanDerWaalsContact C-N 3.33Å; V824-F826 PolarHBondContact O-N 2.99Å; V824-R827 WeakPolarHBondContact O-CB 3.4Å; V824-R827 PolarHBondContact O-N 3.26Å; V824-A828 PolarHBondContact O-N 2.85Å; V824-F873 HydrophobicContact CG2-CB 3.79Å; V824-F873 HydrophobicContact CG2-CD1 3.44Å; V824-F873 VanDerWaalsContact CG2-CD1 3.44Å; V824-F873 HydrophobicContact CG2-CD2 4.14Å; V824-F873 HydrophobicContact CG2-CE1 4.02Å; V824-F873 HydrophobicContact CG2-CG 3.51Å
825A94.8Very high91.2Very high0 Ų030.8 Ų30.80%014%0.137CC..Hα-helixtrans-60.1-41.8177.300000112.1I616 A618 A821 R827 A828 R829I616-A825 HydrophobicContact CG2-CB 4.15Å; A618-A825 HydrophobicContact CB-CB 3.97Å; A821-A825 PolarHBondContact O-N 3.01Å; A825-R827 VanDerWaalsContact C-N 3.34Å; A825-R827 PolarHBondContact O-N 3.29Å; A825-A828 PolarHBondContact O-N 3Å; A825-R829 PolarHBondContact O-N 3.36Å; A825-R829 VanDerWaalsContact O-N 3.11Å
826F93.3Very high88.3Confident86 Ų8637.4 Ų37.438%0.37717%0.172SC..Hα-helixtrans-65.8-35.1173.5-72.8-36.9000113.2T604 R822 L823 V824 R829 Y830T604-F826 HydrophobicContact CG2-CD1 4.28Å; T604-F826 HydrophobicContact CG2-CE1 4.01Å; R822-F826 HydrophobicContact CG-CD2 3.98Å; R822-F826 HydrophobicContact CG-CE2 3.56Å; R822-F826 HydrophobicContact CG-CZ 4.1Å; R822-F826 WeakPolarHBondContact O-CD2 3.32Å; R822-F826 WeakPolarHBondContact O-CG 3.47Å; R822-F826 PolarHBondContact O-N 3.39Å; L823-F826 PolarHBondContact O-N 3.01Å; V824-F826 VanDerWaalsContact C-N 3.33Å; V824-F826 PolarHBondContact O-N 2.99Å; F826-R829 WeakPolarHBondContact O-CB 3.36Å; F826-R829 PolarHBondContact O-N 3.19Å; F826-Y830 WeakPolarHBondContact O-CD2 3.46Å; F826-Y830 PolarHBondContact O-N 3.38Å
827R95.4Very high85.6Confident13 Ų1344.2 Ų44.25%0.04920%0.204CC..Hα-helixtrans-66.6-45.8176.5-177.360.764.271.316.1111.4D542 L823 V824 A825 R829 Y830 H831 Y872 F873D542-R827 IonicContact OD1-NH1 3.51Å; D542-R827 WeakPolarHBondContact OD2-CD 3.35Å; D542-R827 IonicContact OD2-CZ 2.69Å; D542-R827 IonicContact OD2-NE 3.93Å; D542-R827 IonicContact OD2-NH1 3.48Å; D542-R827 PolarHBondContact OD2-NH1 2.88Å; L823-R827 WeakPolarHBondContact O-CB 3.35Å; L823-R827 PolarHBondContact O-N 3.15Å; V824-R827 WeakPolarHBondContact O-CB 3.4Å; V824-R827 PolarHBondContact O-N 3.26Å; A825-R827 VanDerWaalsContact C-N 3.34Å; A825-R827 PolarHBondContact O-N 3.29Å; R827-R829 PolarHBondContact O-N 2.99Å; R827-Y830 WeakPolarHBondContact O-CA 3.46Å; R827-Y830 WeakPolarHBondContact O-CB 3.17Å; R827-Y830 PolarHBondContact O-N 3.02Å; R827-H831 PolarHBondContact O-N 3.04Å; R827-H831 VanDerWaalsContact O-N 3.11Å; R827-Y872 HydrophobicContact CB-CE2 4.41Å; R827-Y872 HydrophobicContact CG-CD2 4.12Å; R827-Y872 HydrophobicContact CG-CE2 3.66Å; R827-Y872 PolarHBondContact NH1-O 2.93Å; R827-Y872 PolarHBondContact NH2-O 3.41Å; R827-F873 PolarHBondContact NH2-O 3.24Å
828A94.8Very high82.6Confident0 Ų050.5 Ų50.50%024%0.237CC..Hα-helixtrans-59.4-34.4174.600000112.3I616 V634 V824 A825 Y830 H831 L832 V861I616-A828 HydrophobicContact CD1-CB 4.15Å; I616-A828 HydrophobicContact CG2-CB 3.86Å; V634-A828 HydrophobicContact CG2-CB 3.61Å; V824-A828 PolarHBondContact O-N 2.85Å; A825-A828 PolarHBondContact O-N 3Å; A828-Y830 VanDerWaalsContact C-N 3.26Å; A828-Y830 PolarHBondContact O-N 3.42Å; A828-H831 WeakPolarHBondContact O-CB 3.33Å; A828-H831 PolarHBondContact O-N 2.87Å; A828-H831 VanDerWaalsContact O-N 3.08Å; A828-L832 WeakPolarHBondContact O-CG 3.47Å; A828-L832 PolarHBondContact O-N 3.41Å; A828-V861 HydrophobicContact CB-CB 4.17Å; A828-V861 HydrophobicContact CB-CG1 3.79Å
829R90.9Very high79.3Confident44 Ų4454.2 Ų54.217%0.16626%0.263CS..Hα-helixtrans-60.8-35172.6-170.564.969.2-170.43112.7T604 P614 I616 A825 F826 R827T604-R829 PolarHBondContact O-NH2 2.82Å; P614-R829 VanDerWaalsContact O-CZ 3.32Å; P614-R829 PolarHBondContact O-NH1 2.61Å; P614-R829 PolarHBondContact O-NH2 3.46Å; I616-R829 HydrophobicContact CD1-CB 3.86Å; A825-R829 PolarHBondContact O-N 3.36Å; A825-R829 VanDerWaalsContact O-N 3.11Å; F826-R829 WeakPolarHBondContact O-CB 3.36Å; F826-R829 PolarHBondContact O-N 3.19Å; R827-R829 PolarHBondContact O-N 2.99Å
830Y91.4Very high76.1Confident108 Ų10855.9 Ų55.942%0.42429%0.29SS..Hα-helixtrans-71-34173-81.3-73.4000112.6Y534 A535 F826 R827 A828 L832 V833Y534-Y830 AromaticContact CD1-CD1 3.87Å; Y534-Y830 HydrophobicContact CD1-CD1 3.87Å; Y534-Y830 AromaticContact CD1-CE1 3.73Å; Y534-Y830 HydrophobicContact CD1-CE1 3.73Å; Y534-Y830 HydrophobicContact CD1-CE2 4.48Å; Y534-Y830 HydrophobicContact CD1-CG 4.3Å; Y534-Y830 HydrophobicContact CE1-CD1 4.02Å; Y534-Y830 AromaticContact CE1-CD2 3.93Å; Y534-Y830 HydrophobicContact CE1-CD2 3.93Å; Y534-Y830 AromaticContact CE1-CE1 3.94Å; Y534-Y830 HydrophobicContact CE1-CE1 3.94Å; Y534-Y830 AromaticContact CE1-CE2 3.85Å; Y534-Y830 HydrophobicContact CE1-CE2 3.85Å; Y534-Y830 HydrophobicContact CE1-CG 4Å; Y534-Y830 AromaticContact CE1-CZ 3.85Å; A535-Y830 HydrophobicContact CB-CD1 4.06Å; F826-Y830 WeakPolarHBondContact O-CD2 3.46Å; F826-Y830 PolarHBondContact O-N 3.38Å; R827-Y830 WeakPolarHBondContact O-CA 3.46Å; R827-Y830 WeakPolarHBondContact O-CB 3.17Å; R827-Y830 PolarHBondContact O-N 3.02Å; A828-Y830 VanDerWaalsContact C-N 3.26Å; A828-Y830 PolarHBondContact O-N 3.42Å; Y830-L832 PolarHBondContact O-N 3.47Å; Y830-V833 WeakPolarHBondContact O-CB 3.48Å; Y830-V833 PolarHBondContact O-N 2.86Å
831H92.8Very high72.9Confident7 Ų764.3 Ų64.33%0.03233%0.329CS..Hα-helixtrans-67.2-26.6175.1-57.1154.4000112.9K538 D542 T543 R827 A828 V833 A860K538-H831 PolarHBondContact O-NE2 2.94Å; D542-H831 IonicContact OD2-CE1 3.26Å; D542-H831 IonicContact OD2-NE2 3.15Å; D542-H831 PolarHBondContact OD2-NE2 3.14Å; D542-H831 VanDerWaalsContact OD2-NE2 3.11Å; T543-H831 HydrophobicContact CG2-CB 4.46Å; R827-H831 PolarHBondContact O-N 3.04Å; R827-H831 VanDerWaalsContact O-N 3.11Å; A828-H831 WeakPolarHBondContact O-CB 3.33Å; A828-H831 PolarHBondContact O-N 2.87Å; A828-H831 VanDerWaalsContact O-N 3.08Å; H831-V833 VanDerWaalsContact C-N 3.33Å; H831-A860 WeakPolarHBondContact CB-O 3.4Å
832L88.3Confident69.5Low18 Ų1868.3 Ų68.39%0.09437%0.37CS..THydrogen-bonded Turntrans-83.40.1175.1-67.6178.6000114.5P614 I616 V636 A828 Y830 D834 L857 A860 V861P614-L832 HydrophobicContact CG-CD1 4.04Å; I616-L832 HydrophobicContact CD1-CD1 3.84Å; I616-L832 HydrophobicContact CG1-CD1 4.29Å; V636-L832 HydrophobicContact CG1-CD1 4.07Å; A828-L832 WeakPolarHBondContact O-CG 3.47Å; A828-L832 PolarHBondContact O-N 3.41Å; Y830-L832 PolarHBondContact O-N 3.47Å; L832-D834 PolarHBondContact O-N 3.28Å; L832-L857 HydrophobicContact CD2-CD2 3.81Å; L832-A860 HydrophobicContact CD2-CB 3.81Å; L832-V861 HydrophobicContact CD1-CG1 4.13Å; L832-V861 HydrophobicContact CD2-CG1 3.78Å; L832-V861 HydrophobicContact CG-CG1 3.73Å
833V81.2Confident66.6Low52 Ų5270.1 Ų70.132%0.31539%0.393SS..  trans-74114.8176.2178.10000108.1A535 Y830 H831A535-V833 HydrophobicContact CB-CB 4.21Å; A535-V833 HydrophobicContact CB-CG1 4.42Å; Y830-V833 WeakPolarHBondContact O-CB 3.48Å; Y830-V833 PolarHBondContact O-N 2.86Å; H831-V833 VanDerWaalsContact C-N 3.33Å
834D64.3Low63.1Low62 Ų6278.5 Ų78.533%0.33243%0.431SS..  trans-68.5149.7173.1-78.719.9000110.8L832 D836 R852L832-D834 PolarHBondContact O-N 3.28Å; D834-D836 PolarHBondContact O-N 2.85Å; D834-R852 IonicContact OD1-CZ 2.94Å; D834-R852 IonicContact OD1-NH1 3.94Å; D834-R852 PolarHBondContact OD1-NH1 2.86Å; D834-R852 IonicContact OD1-NH2 3.54Å; D834-R852 PolarHBondContact OD1-NH2 3.14Å; D834-R852 IonicContact OD2-CZ 3.01Å; D834-R852 IonicContact OD2-NE 3.53Å; D834-R852 IonicContact OD2-NH1 3.74Å; D834-R852 IonicContact OD2-NH2 3.82Å; D834-R852 PolarHBondContact OD2-NH2 2.8Å
835K51Low60Low105 Ų10585.1 Ų85.146%0.45747%0.471SS..THydrogen-bonded Turntrans-59-24.1170.6-66.1-168.1174.5-161.70112.6E536E536-K835 WeakPolarHBondContact OE1-CE 3.33Å; E536-K835 IonicContact OE1-NZ 3.12Å; E536-K835 PolarHBondContact OE1-NZ 2.79Å; E536-K835 WeakPolarHBondContact OE2-CE 3.44Å
836D37.5Very low56.7Low140 Ų14090.8 Ų90.875%0.74951%0.511SS*.THydrogen-bonded Turntrans-106.14.1-166.7-61.8-36.7000116.6D834D834-D836 PolarHBondContact O-N 2.85Å
837H40.9Very low53.4Low143 Ų14390 Ų9066%0.66253%0.527SS*.SBendtrans-126.2-0.9-169.4-104.5-46.8000119.8
838D35.7Very low50.4Low131 Ų13197.9 Ų97.970%0.70156%0.564SS**SBendtrans-122.25.1174.1-87.9-24.7000114.5A840D838-A840 PolarHBondContact O-N 3.49Å
839S28.3Very low47.5Very low81 Ų81101.9 Ų101.957%0.56659%0.592SS**  trans-75.3106.8164.3-58.10000108.1E841S839-E841 PolarHBondContact O-N 3.4Å
840A30.2Very low44.8Very low96 Ų96106.1 Ų106.179%0.79362%0.618SS**SBendtrans-67.967.5159.200000108.6D838D838-A840 PolarHBondContact O-N 3.49Å
841E30.8Very low42.5Very low178 Ų178104.6 Ų104.683%0.83264%0.635SS**SBendtrans178.7124.2170.8-104.5156.6-150.400108.5S839S839-E841 PolarHBondContact O-N 3.4Å
842G27.1Very low40.9Very low84 Ų84109.5 Ų109.587%0.86665%0.653SS**  trans97.899.5170.200000115.5
843S34.7Very low40.1Very low101 Ų101112.9 Ų112.971%0.70667%0.672SS**  trans-88.4134.4167.452.50000111.2
844H24.8Very low39.8Very low199 Ų199115 Ų11592%0.92169%0.687SS**  trans-132.3132.1141.3-82-72.8000109.6
845V31.7Very low40.6Very low139 Ų139119.1 Ų119.184%0.84270%0.704SS**  trans-90119.6173.7176.50000107.6
846S25.6Very low42.2Very low120 Ų120116.7 Ų116.784%0.83970%0.703SS**  174.4141.7129.546.60000110.6
847G24.3Very low44.5Very low69 Ų69111.1 Ų111.171%0.71167%0.673SS**  trans118.4101.2177.800000111.9S849G847-S849 PolarHBondContact O-N 3.26Å
848Q32.2Very low46.7Very low179 Ų179106.5 Ų106.584%0.83666%0.66SS**  trans-47.5103.8166.7-68.4164.7-2100110.1N850Q848-N850 PolarHBondContact O-N 2.89Å
849S33.3Very low49.1Very low84 Ų84107.7 Ų107.759%0.58766%0.659SS**  trans-79.672.4160.750.90000108.5G847G847-S849 PolarHBondContact O-N 3.26Å
850N34.1Very low52Low132 Ų132105.4 Ų105.471%0.70664%0.644SS**  trans-50.4144.3147.7-80.9-15.1000107.5Q848 R852Q848-N850 PolarHBondContact O-N 2.89Å; N850-R852 PolarHBondContact O-N 3.42Å
851G45.1Very low55Low77 Ų77101 Ų10179%0.79461%0.607SS**SBendtrans-37.9128.7-169.200000113.1D853G851-D853 PolarHBondContact O-N 3.43Å
852R57.4Low57.9Low109 Ų10998.4 Ų98.441%0.41160%0.596SS.*  trans-52.1135.6177.2-68.2-174.1-162.7163.39.6109.1D834 N850 P854 L857D834-R852 IonicContact OD1-CZ 2.94Å; D834-R852 IonicContact OD1-NH1 3.94Å; D834-R852 PolarHBondContact OD1-NH1 2.86Å; D834-R852 IonicContact OD1-NH2 3.54Å; D834-R852 PolarHBondContact OD1-NH2 3.14Å; D834-R852 IonicContact OD2-CZ 3.01Å; D834-R852 IonicContact OD2-NE 3.53Å; D834-R852 IonicContact OD2-NH1 3.74Å; D834-R852 IonicContact OD2-NH2 3.82Å; D834-R852 PolarHBondContact OD2-NH2 2.8Å; N850-R852 PolarHBondContact O-N 3.42Å; R852-P854 WeakPolarHBondContact O-CD 3.23Å; R852-P854 VanDerWaalsContact O-N 3.16Å; R852-L857 HydrophobicContact CB-CD1 4.25Å; R852-L857 HydrophobicContact CB-CD2 4.49Å; R852-L857 HydrophobicContact CB-CG 4.17Å
853D71.3Confident61.1Low90 Ų9095.3 Ų95.348%0.48156%0.559SS.*  trans-45.9120.2170.6177.14.7000109.7G851 Q855 A856 L857G851-D853 PolarHBondContact O-N 3.43Å; D853-Q855 PolarHBondContact O-N 2.99Å; D853-Q855 WeakPolarHBondContact OD1-CB 3.45Å; D853-Q855 PolarHBondContact OD1-N 3.35Å; D853-A856 HydrophobicContact CB-CB 4.32Å; D853-A856 WeakPolarHBondContact O-CB 3.46Å; D853-A856 PolarHBondContact O-N 3.24Å; D853-L857 PolarHBondContact O-N 2.88Å
854P75.1Confident64Low97 Ų9792.8 Ų92.863%0.6354%0.536SS*.Hα-helixtrans-48.7-31.9175.2-29.235.8000113.2R852 L857 A858R852-P854 WeakPolarHBondContact O-CD 3.23Å; R852-P854 VanDerWaalsContact O-N 3.16Å; P854-L857 PolarHBondContact O-N 3.45Å; P854-A858 WeakPolarHBondContact O-CB 3.24Å; P854-A858 PolarHBondContact O-N 3.42Å
855Q81.7Confident67.3Low148 Ų14890.9 Ų90.969%0.69252%0.522SS*.Hα-helixtrans-67.9-37.9178.6-163.8171.810.400112.4D853 A858 K859D853-Q855 PolarHBondContact O-N 2.99Å; D853-Q855 WeakPolarHBondContact OD1-CB 3.45Å; D853-Q855 PolarHBondContact OD1-N 3.35Å; Q855-A858 PolarHBondContact O-N 3.44Å; Q855-K859 WeakPolarHBondContact O-CB 3.37Å; Q855-K859 PolarHBondContact O-N 2.93Å
856A84.5Confident70.2Confident53 Ų5388.2 Ų88.244%0.43850%0.503SS..Hα-helixtrans-66.4-40.6175.500000111.7D853 K859 A860D853-A856 HydrophobicContact CB-CB 4.32Å; D853-A856 WeakPolarHBondContact O-CB 3.46Å; D853-A856 PolarHBondContact O-N 3.24Å; A856-K859 PolarHBondContact O-N 3.06Å; A856-A860 WeakPolarHBondContact O-CB 3.35Å; A856-A860 PolarHBondContact O-N 2.89Å
857L85.3Confident73.5Confident24 Ų2482.8 Ų82.813%0.12647%0.465CS..Hα-helixtrans-64.4-40.3175-69.8171.6000111.8P614 V636 L832 R852 D853 P854 A860P614-L857 HydrophobicContact CG-CD1 4.15Å; V636-L857 HydrophobicContact CG2-CB 4.03Å; L832-L857 HydrophobicContact CD2-CD2 3.81Å; R852-L857 HydrophobicContact CB-CD1 4.25Å; R852-L857 HydrophobicContact CB-CD2 4.49Å; R852-L857 HydrophobicContact CB-CG 4.17Å; D853-L857 PolarHBondContact O-N 2.88Å; P854-L857 PolarHBondContact O-N 3.45Å; L857-A860 PolarHBondContact O-N 3.47Å
858A86.9Confident76.7Confident45 Ų4583 Ų8337%0.37245%0.447SS..Hα-helixtrans-64.3-44.3175.900000111.8V636 P854 Q855 A860 V861 Q862V636-A858 HydrophobicContact CG2-CB 4.09Å; P854-A858 WeakPolarHBondContact O-CB 3.24Å; P854-A858 PolarHBondContact O-N 3.42Å; Q855-A858 PolarHBondContact O-N 3.44Å; A858-A860 VanDerWaalsContact C-N 3.31Å; A858-A860 PolarHBondContact O-N 2.55Å; A858-V861 VanDerWaalsContact O-CG2 3.24Å; A858-V861 WeakPolarHBondContact O-CG2 3.39Å; A858-V861 PolarHBondContact O-N 3.43Å; A858-Q862 PolarHBondContact O-N 3.47Å
859K87.7Confident79.4Confident157 Ų15777.6 Ų77.668%0.68342%0.422SS*.Hα-helixtrans-62.4-37.3176.6-171.3175.6-177.7177.40112.4Q855 A856 V861 Q862Q855-K859 WeakPolarHBondContact O-CB 3.37Å; Q855-K859 PolarHBondContact O-N 2.93Å; A856-K859 PolarHBondContact O-N 3.06Å; K859-V861 VanDerWaalsContact C-N 3.28Å; K859-V861 PolarHBondContact O-N 3.37Å; K859-Q862 WeakPolarHBondContact O-CB 3.47Å; K859-Q862 PolarHBondContact O-N 2.88Å
860A88.8Confident82.3Confident32 Ų3275.4 Ų75.426%0.26441%0.405SS..Hα-helixtrans-65.2-29.1-178.900000113.7H831 L832 A856 L857 A858H831-A860 WeakPolarHBondContact CB-O 3.4Å; L832-A860 HydrophobicContact CD2-CB 3.81Å; A856-A860 WeakPolarHBondContact O-CB 3.35Å; A856-A860 PolarHBondContact O-N 2.89Å; L857-A860 PolarHBondContact O-N 3.47Å; A858-A860 VanDerWaalsContact C-N 3.31Å; A858-A860 PolarHBondContact O-N 2.55Å
861V92.2Very high85.3Confident3 Ų369.4 Ų69.42%0.01837%0.373CS..Hα-helixtrans-93.8-4.9176.6-60.10000113.3V634 V636 A828 L832 A858 K859 I863V634-V861 HydrophobicContact CG1-CB 4.31Å; V634-V861 WeakPolarHBondContact CG1-O 3.39Å; V636-V861 HydrophobicContact CG1-CG1 3.89Å; V636-V861 HydrophobicContact CG1-CG2 3.97Å; A828-V861 HydrophobicContact CB-CB 4.17Å; A828-V861 HydrophobicContact CB-CG1 3.79Å; L832-V861 HydrophobicContact CD1-CG1 4.13Å; L832-V861 HydrophobicContact CD2-CG1 3.78Å; L832-V861 HydrophobicContact CG-CG1 3.73Å; A858-V861 VanDerWaalsContact O-CG2 3.24Å; A858-V861 WeakPolarHBondContact O-CG2 3.39Å; A858-V861 PolarHBondContact O-N 3.43Å; K859-V861 VanDerWaalsContact C-N 3.28Å; K859-V861 PolarHBondContact O-N 3.37Å; V861-I863 PolarHBondContact O-N 3.13Å
862Q92.6Very high87.8Confident125 Ų12566.3 Ų66.358%0.58434%0.337SS*.PPolyproline II helixtrans-70.3125178.6-169.4172.89.400110.1T543 A858 K859T543-Q862 WeakPolarHBondContact CB-O 3.21Å; A858-Q862 PolarHBondContact O-N 3.47Å; K859-Q862 WeakPolarHBondContact O-CB 3.47Å; K859-Q862 PolarHBondContact O-N 2.88Å
863I94Very high89.7Confident19 Ų1961.2 Ų61.210%0.09732%0.318CS..PPolyproline II helixtrans-83.8141.9-177.1-59.9-58.5000109.9D542 T543 V861 T867 Q868 Y872D542-I863 HydrophobicContact CB-CD1 4.38Å; T543-I863 HydrophobicContact CG2-CD1 4.25Å; V861-I863 PolarHBondContact O-N 3.13Å; I863-T867 HydrophobicContact CG2-CG2 3.35Å; I863-Q868 HydrophobicContact CG2-CG 4.41Å; I863-Y872 HydrophobicContact CD1-CD2 4.38Å; I863-Y872 HydrophobicContact CD1-CE1 4.26Å; I863-Y872 HydrophobicContact CD1-CE2 3.55Å; I863-Y872 VanDerWaalsContact CD1-CZ 3.5Å; I863-Y872 WeakPolarHBondContact CD1-OH 3.47Å; I863-Y872 HydrophobicContact CG1-CE1 4.16Å; I863-Y872 HydrophobicContact CG1-CE2 4.33Å; I863-Y872 HydrophobicContact CG2-CE1 4.43Å
864H96.6Very high90.7Very high48 Ų4857 Ų5722%0.22230%0.295CS..PPolyproline II helixtrans-58.1146.2176.5-173-86.3000110.6D542 T543 L544 G546 D866 T867 Q868D542-H864 WeakPolarHBondContact O-CB 3.42Å; D542-H864 PolarHBondContact O-N 2.97Å; T543-H864 WeakPolarHBondContact O-CB 3.3Å; L544-H864 PolarHBondContact O-CD2 3.47Å; L544-H864 VanDerWaalsContact O-CD2 3.27Å; G546-H864 WeakPolarHBondContact CA-ND1 3.47Å; H864-D866 IonicContact CE1-OD2 2.69Å; H864-D866 PolarHBondContact CE1-OD2 3.18Å; H864-D866 PolarHBondContact ND1-N 3.26Å; H864-D866 VanDerWaalsContact ND1-N 3.14Å; H864-D866 IonicContact ND1-OD2 3.68Å; H864-D866 PolarHBondContact O-N 3.39Å; H864-T867 WeakPolarHBondContact O-CA 3.35Å; H864-T867 WeakPolarHBondContact O-CB 3.49Å; H864-T867 PolarHBondContact O-N 2.91Å; H864-Q868 WeakPolarHBondContact O-CG 3.37Å; H864-Q868 PolarHBondContact O-N 3.26Å; H864-Q868 VanDerWaalsContact O-N 3.13Å
865Y93.4Very high91.4Very high158 Ų15855 Ų5562%0.6228%0.278SS*.Hα-helixtrans-47.6-53.4-179178.5-102.1000112.9T867 Q868Y865-T867 PolarHBondContact O-N 2.94Å; Y865-T867 VanDerWaalsContact O-N 3.08Å; Y865-Q868 WeakPolarHBondContact O-CB 3.45Å; Y865-Q868 PolarHBondContact O-N 3.18Å; Y865-Q868 VanDerWaalsContact O-N 3.09Å
866D93.1Very high92Very high84 Ų8450.1 Ų50.145%0.44926%0.257SS..Hα-helixtrans-60.1-21.5177.8-57-23.2000114.5K514 H864 T870K514-D866 IonicContact NZ-OD2 3.48Å; H864-D866 IonicContact CE1-OD2 2.69Å; H864-D866 PolarHBondContact CE1-OD2 3.18Å; H864-D866 PolarHBondContact ND1-N 3.26Å; H864-D866 VanDerWaalsContact ND1-N 3.14Å; H864-D866 IonicContact ND1-OD2 3.68Å; H864-D866 PolarHBondContact O-N 3.39Å; D866-T870 WeakPolarHBondContact O-CG2 3.44Å
867T94.5Very high92.4Very high6 Ų649.9 Ų49.94%0.03725%0.247CC..Hα-helixtrans-91.8-21.7180-55.70000112.3D542 G546 I863 H864 Y865 H869 T870 Y872D542-T867 HydrophobicContact CB-CG2 4.41Å; D542-T867 PolarHBondContact O-OG1 3.19Å; G546-T867 VanDerWaalsContact CA-OG1 3.28Å; G546-T867 WeakPolarHBondContact CA-OG1 3.29Å; I863-T867 HydrophobicContact CG2-CG2 3.35Å; H864-T867 WeakPolarHBondContact O-CA 3.35Å; H864-T867 WeakPolarHBondContact O-CB 3.49Å; H864-T867 PolarHBondContact O-N 2.91Å; Y865-T867 PolarHBondContact O-N 2.94Å; Y865-T867 VanDerWaalsContact O-N 3.08Å; T867-H869 PolarHBondContact O-N 3.42Å; T867-H869 VanDerWaalsContact O-N 3.08Å; T867-T870 WeakPolarHBondContact O-CB 3.47Å; T867-T870 PolarHBondContact O-N 3.19Å; T867-T870 PolarHBondContact O-OG1 2.61Å; T867-Y872 HydrophobicContact CG2-CD1 3.78Å; T867-Y872 HydrophobicContact CG2-CD2 4.33Å; T867-Y872 HydrophobicContact CG2-CG 3.63Å
868Q90.1Very high92.8Very high74 Ų7451.4 Ų51.435%0.34625%0.254SS..Hα-helixtrans-56.1-31.5-174.1-71.8178.8-6.500113.3I863 H864 Y865I863-Q868 HydrophobicContact CG2-CG 4.41Å; H864-Q868 WeakPolarHBondContact O-CG 3.37Å; H864-Q868 PolarHBondContact O-N 3.26Å; H864-Q868 VanDerWaalsContact O-N 3.13Å; Y865-Q868 WeakPolarHBondContact O-CB 3.45Å; Y865-Q868 PolarHBondContact O-N 3.18Å; Y865-Q868 VanDerWaalsContact O-N 3.09Å
869H90.1Very high93.2Very high65 Ų6551.8 Ų51.830%0.30125%0.246SC..THydrogen-bonded Turntrans-99.815.2-176.7-52.5-45.3000113.8Q667 T867Q667-H869 VanDerWaalsContact CD-CE1 3.48Å; Q667-H869 PolarHBondContact NE2-ND1 3Å; Q667-H869 PolarHBondContact OE1-CE1 3.31Å; Q667-H869 PolarHBondContact OE1-ND1 3.36Å; T867-H869 PolarHBondContact O-N 3.42Å; T867-H869 VanDerWaalsContact O-N 3.08Å
870T94.4Very high93.5Very high38 Ų3844.8 Ų44.823%0.23322%0.217CC..SBendtrans-114.6158.7-175.774.30000112.2D866 T867 Y872D866-T870 WeakPolarHBondContact O-CG2 3.44Å; T867-T870 WeakPolarHBondContact O-CB 3.47Å; T867-T870 PolarHBondContact O-N 3.19Å; T867-T870 PolarHBondContact O-OG1 2.61Å; T870-Y872 PolarHBondContact O-N 3.36Å; T870-Y872 VanDerWaalsContact O-N 3.16Å; T870-Y872 PolarHBondContact OG1-N 2.97Å
871M97.3Very high93.9Very high6 Ų645.7 Ų45.73%0.0321%0.214CC..  trans-86.550169.8-65.4-177.775.700111.5Y630 V806 Y820 F873 A874Y630-M871 HydrophobicContact CD2-CE 4.44Å; Y630-M871 WeakPolarHBondContact O-CG 3.2Å; V806-M871 HydrophobicContact CG1-CE 4.49Å; V806-M871 HydrophobicContact CG2-CE 4Å; Y820-M871 HydrophobicContact CD2-CE 4.38Å; Y820-M871 HydrophobicContact CE1-CE 4.07Å; Y820-M871 HydrophobicContact CE2-CE 3.89Å; M871-F873 HydrophobicContact CB-CE1 4.39Å; M871-F873 HydrophobicContact CB-CE2 4.4Å; M871-F873 HydrophobicContact CB-CZ 4.09Å; M871-F873 HydrophobicContact CE-CE2 3.99Å; M871-F873 HydrophobicContact CE-CZ 4.16Å; M871-F873 HydrophobicContact CG-CZ 3.98Å; M871-F873 PolarHBondContact O-N 3.35Å; M871-A874 HydrophobicContact CB-CB 4.28Å; M871-A874 WeakPolarHBondContact O-CB 3.36Å; M871-A874 PolarHBondContact O-N 2.93Å
872Y97.6Very high94Very high12 Ų1249 Ų495%0.04723%0.229CC..THydrogen-bonded Turntrans-55.2-28.2-177.972.3-80.4000113.6D542 A632 R827 I863 T867 T870 A874D542-Y872 HydrophobicContact CB-CD2 3.94Å; D542-Y872 HydrophobicContact CB-CE2 4.42Å; A632-Y872 HydrophobicContact CB-CE1 4.26Å; R827-Y872 HydrophobicContact CB-CE2 4.41Å; R827-Y872 HydrophobicContact CG-CD2 4.12Å; R827-Y872 HydrophobicContact CG-CE2 3.66Å; R827-Y872 PolarHBondContact NH1-O 2.93Å; R827-Y872 PolarHBondContact NH2-O 3.41Å; I863-Y872 HydrophobicContact CD1-CD2 4.38Å; I863-Y872 HydrophobicContact CD1-CE1 4.26Å; I863-Y872 HydrophobicContact CD1-CE2 3.55Å; I863-Y872 VanDerWaalsContact CD1-CZ 3.5Å; I863-Y872 WeakPolarHBondContact CD1-OH 3.47Å; I863-Y872 HydrophobicContact CG1-CE1 4.16Å; I863-Y872 HydrophobicContact CG1-CE2 4.33Å; I863-Y872 HydrophobicContact CG2-CE1 4.43Å; T867-Y872 HydrophobicContact CG2-CD1 3.78Å; T867-Y872 HydrophobicContact CG2-CD2 4.33Å; T867-Y872 HydrophobicContact CG2-CG 3.63Å; T870-Y872 PolarHBondContact O-N 3.36Å; T870-Y872 VanDerWaalsContact O-N 3.16Å; T870-Y872 PolarHBondContact OG1-N 2.97Å; Y872-A874 PolarHBondContact O-N 3.39Å
873F96.8Very high94.1Very high2 Ų242.7 Ų42.71%0.00920%0.199CC..THydrogen-bonded Turntrans-70.3-12.7177.552.4-94.1000114.1A632 Y820 L823 V824 R827 M871A632-F873 HydrophobicContact CB-CD1 3.94Å; A632-F873 HydrophobicContact CB-CE1 3.67Å; Y820-F873 HydrophobicContact CD1-CD2 4.24Å; Y820-F873 AromaticContact CD1-CE2 3.75Å; Y820-F873 HydrophobicContact CD1-CE2 3.75Å; Y820-F873 HydrophobicContact CD2-CE2 4.42Å; Y820-F873 HydrophobicContact CG-CD2 4.47Å; Y820-F873 AromaticContact CG-CE2 3.71Å; Y820-F873 HydrophobicContact CG-CE2 3.71Å; L823-F873 HydrophobicContact CB-CB 4.28Å; L823-F873 HydrophobicContact CB-CD2 4.42Å; V824-F873 HydrophobicContact CG2-CB 3.79Å; V824-F873 HydrophobicContact CG2-CD1 3.44Å; V824-F873 VanDerWaalsContact CG2-CD1 3.44Å; V824-F873 HydrophobicContact CG2-CD2 4.14Å; V824-F873 HydrophobicContact CG2-CE1 4.02Å; V824-F873 HydrophobicContact CG2-CG 3.51Å; R827-F873 PolarHBondContact NH2-O 3.24Å; M871-F873 HydrophobicContact CB-CE1 4.39Å; M871-F873 HydrophobicContact CB-CE2 4.4Å; M871-F873 HydrophobicContact CB-CZ 4.09Å; M871-F873 HydrophobicContact CE-CE2 3.99Å; M871-F873 HydrophobicContact CE-CZ 4.16Å; M871-F873 HydrophobicContact CG-CZ 3.98Å; M871-F873 PolarHBondContact O-N 3.35Å
874A91.6Very high94.1Very high0 Ų044.8 Ų44.80%021%0.208CC..  trans-660-175.700000115.9K571 A574 K575 V806 R807 M871 Y872K571-A874 PolarHBondContact NZ-O 2.77Å; K571-A874 PolarHBondContact NZ-OXT 2.99Å; A574-A874 HydrophobicContact CB-CB 4.44Å; K575-A874 WeakPolarHBondContact CE-O 2.88Å; K575-A874 HydrophobicContact CG-CB 4.36Å; K575-A874 PolarHBondContact NZ-O 3.49Å; V806-A874 HydrophobicContact CG2-CB 4.48Å; R807-A874 WeakPolarHBondContact CD-OXT 3.41Å; R807-A874 VanDerWaalsContact CG-OXT 3.26Å; R807-A874 WeakPolarHBondContact CG-OXT 3.35Å; R807-A874 PolarHBondContact NE-OXT 3.03Å; M871-A874 HydrophobicContact CB-CB 4.28Å; M871-A874 WeakPolarHBondContact O-CB 3.36Å; M871-A874 PolarHBondContact O-N 2.93Å; Y872-A874 PolarHBondContact O-N 3.39Å

Retrieved 874 of 874 residues in 450.2 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).