UBQL4_MOUSE Loading...

Ubiquilin-4

Regulator of protein degradation that mediates the proteasomal targeting of misfolded, mislocalized or accumulated proteins (By similarity). Acts by binding polyubiquitin chains of target proteins via its UBA domain and by interacting with subunits of the proteasome via its ubiquitin-like domain (By similarity). Key regulator of DNA repair that represses homologous recombination repair: in response to DNA damage, recruited to sites of DNA damage following phosphorylation by ATM and acts by binding and removing ubiquitinated MRE11 from damaged chromatin, leading to MRE11 degradation by the proteasome (By similarity). MRE11 degradation prevents homologous recombination repair, redirecting double-strand break repair toward non-homologous end joining (NHEJ) (By similarity). Specifically recognizes and binds mislocalized transmembrane-containing proteins and targets them to proteasomal degradation (By similarity). Collaborates with DESI1/POST in the export of ubiquitinated proteins from the nucleus to the cytoplasm (By similarity). Plays a role in the regulation of the proteasomal degradation of non-ubiquitinated GJA11,2. Acts as an adapter protein that recruits UBQLN1 to the autophagy machinery (By similarity). Mediates the association of UBQLN1 with autophagosomes and the autophagy-related protein LC3 (MAP1LC3A/B/C) and may assist in the maturation of autophagosomes to autolysosomes by mediating autophagosome-lysosome fusion (By similarity).

AlphaFold DB , UniProt , Accession Q99NB8, Species MOUSE (Mus musculus, Mouse), Gene Ubqln4, Length 596 aa.

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

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
1M62Low52.5Low245 Ų245134.8 Ų134.8100%1.20780%0.798SS**  01450-84.450.6-178.700107.9
2A42Very low55.4Low101 Ų101133.8 Ų133.884%0.83578%0.78SS**  trans-90.1175.5174.500000110.9
3E48.5Very low58Low161 Ų161124.8 Ų124.875%0.75273%0.726SS**  trans-70.6179.9-179.8-50.2-168.7123.100113.3
4P50.4Low60.4Low132 Ų132124.6 Ų124.686%0.85771%0.707SS**  -125.6138.986.836.7-31.4000115.1
5S42.4Very low62.5Low98 Ų98116.3 Ų116.369%0.68566%0.66SS**  trans-71.3164.2173.4-172.70000113.2
6G40Very low64.4Low72 Ų72109.9 Ų109.974%0.74262%0.624SS**  trans7877.4153.600000118.1
7A44.9Very low66Low97 Ų97103.4 Ų103.480%0.80259%0.587SS**  trans-110.879.9165.800000111.2T9A7-T9 PolarHBondContact O-N 2.97Å
8E47.3Very low67.4Low173 Ų173102.7 Ų102.781%0.80858%0.576SS**  trans-68.1110.2171-72-17692.400110.6R10E8-R10 VanDerWaalsContact C-N 3.3Å; E8-R10 PolarHBondContact O-N 3.19Å
9T55.8Low68.6Low146 Ų14698.4 Ų98.490%0.89655%0.553SS**  trans-69.785172.415.50000110.6A7A7-T9 PolarHBondContact O-N 2.97Å
10R66.6Low69.4Low176 Ų17699.7 Ų99.766%0.66457%0.566SS**  trans-56.1132.6173.5-64.3-178.6-179.2-177.5-0.3109.8E8 Q12E8-R10 VanDerWaalsContact C-N 3.3Å; E8-R10 PolarHBondContact O-N 3.19Å; R10-Q12 PolarHBondContact O-N 3.47Å
11P77.7Confident70Confident82 Ų82104 Ų10453%0.53258%0.578SS.*  trans-63124.9-178.924.6-33000110.3C29 D30P11-C29 WeakPolarHBondContact O-CA 3.45Å; P11-D30 HydrophobicContact CG-CB 4.35Å; P11-D30 PolarHBondContact O-N 3.09Å
12Q86.7Confident71.2Confident123 Ų12397.3 Ų97.358%0.57555%0.547SS*.EExtended strand (participates in β ladder)trans-105.2133.7-178.6-144.4-179-8.100109.8R10 V27 I28R10-Q12 PolarHBondContact O-N 3.47Å; Q12-V27 HydrophobicContact CG-CG1 3.91Å; Q12-V27 PolarHBondContact NE2-O 3.29Å; Q12-I28 CarbonylContact C-O 3.57Å; Q12-I28 WeakPolarHBondContact CA-O 3.45Å; Q12-I28 VanDerWaalsContact CG-O 3.28Å; Q12-I28 WeakPolarHBondContact CG-O 3.21Å
13I90.1Very high73.5Confident16 Ų1698.3 Ų98.38%0.08253%0.533CS..EExtended strand (participates in β ladder)trans-115.2141.7-179.557.3169.2000110.4V15 V27 I28 D30 L67 I72 D74I13-V15 HydrophobicContact CD1-CG2 3.85Å; I13-V15 HydrophobicContact CG1-CG2 4.07Å; I13-V27 WeakPolarHBondContact O-CA 3.25Å; I13-I28 HydrophobicContact CG1-CG2 4.22Å; I13-I28 WeakPolarHBondContact CG1-O 3.46Å; I13-I28 PolarHBondContact N-O 3.11Å; I13-I28 PolarHBondContact O-N 2.92Å; I13-D30 HydrophobicContact CD1-CB 4.44Å; I13-D30 HydrophobicContact CG1-CB 4.47Å; I13-D30 HydrophobicContact CG2-CB 4.04Å; I13-L67 HydrophobicContact CD1-CD1 4.39Å; I13-I72 HydrophobicContact CD1-CG2 4.34Å; I13-D74 HydrophobicContact CB-CB 4.2Å; I13-D74 HydrophobicContact CG2-CB 4.11Å
14R91.5Very high75.5Confident123 Ų12393.5 Ų93.546%0.46451%0.51SS..EExtended strand (participates in β ladder)trans-90.3118.2170.1-65.1160.8-70.8-165.32.6108.9E25 I26 V27 D74 G75R14-E25 HydrophobicContact CB-CG 4.25Å; R14-E25 WeakPolarHBondContact CB-OE1 3.39Å; R14-E25 WeakPolarHBondContact CD-OE1 3.44Å; R14-I26 WeakPolarHBondContact CA-O 3.4Å; R14-V27 HydrophobicContact CG-CG1 3.92Å; R14-V27 HydrophobicContact CG-CG2 4.14Å; R14-D74 VanDerWaalsContact CB-OD1 3.29Å; R14-D74 WeakPolarHBondContact CB-OD1 3.44Å; R14-D74 IonicContact CZ-OD1 2.7Å; R14-D74 IonicContact CZ-OD2 3.82Å; R14-D74 PolarHBondContact N-OD1 2.75Å; R14-D74 IonicContact NE-OD1 3.55Å; R14-D74 PolarHBondContact NE-OD1 3.2Å; R14-D74 IonicContact NE-OD2 3.63Å; R14-D74 IonicContact NH2-OD1 3.83Å; R14-D74 IonicContact NH2-OD2 2.81Å; R14-D74 PolarHBondContact NH2-OD2 3.43Å; R14-G75 PolarHBondContact O-N 3.29Å
15V90.9Very high77.4Confident0 Ų091.7 Ų91.70%049%0.49CS..EExtended strand (participates in β ladder)trans-113.3122.5176.8-172.40000108.1I13 I26 I28 F37 I72 V78I13-V15 HydrophobicContact CD1-CG2 3.85Å; I13-V15 HydrophobicContact CG1-CG2 4.07Å; V15-I26 PolarHBondContact N-O 3.2Å; V15-I26 PolarHBondContact O-N 2.93Å; V15-I28 HydrophobicContact CG2-CG2 4.41Å; V15-F37 HydrophobicContact CB-CE2 4.01Å; V15-F37 HydrophobicContact CB-CZ 3.72Å; V15-F37 HydrophobicContact CG1-CE1 4.19Å; V15-F37 HydrophobicContact CG1-CE2 4.34Å; V15-F37 HydrophobicContact CG1-CZ 3.54Å; V15-F37 HydrophobicContact CG2-CE2 4.45Å; V15-F37 HydrophobicContact CG2-CZ 4.36Å; V15-I72 HydrophobicContact CG1-CG2 3.97Å; V15-I72 HydrophobicContact CG2-CG2 3.71Å; V15-V78 HydrophobicContact CG1-CB 4.33Å; V15-V78 HydrophobicContact CG1-CG2 3.59Å
16T92.7Very high79.7Confident13 Ų1387 Ų878%0.0846%0.458CS..EExtended strand (participates in β ladder)trans-76.5128.4171.7-82.40000108.9K18 K23 E24 L76 T77 V78T16-K18 HydrophobicContact CG2-CG 4.1Å; T16-K23 HydrophobicContact CG2-CD 4.2Å; T16-K23 VanDerWaalsContact CG2-CE 3.44Å; T16-K23 HydrophobicContact CG2-CG 3.83Å; T16-K23 PolarHBondContact OG1-NZ 3.2Å; T16-E24 WeakPolarHBondContact CA-O 3.47Å; T16-L76 PolarHBondContact N-O 2.87Å; T16-T77 HydrophobicContact CG2-CG2 3.94Å; T16-T77 WeakPolarHBondContact CG2-OG1 3.43Å; T16-T77 CarbonylContact O-C 3.38Å; T16-T77 WeakPolarHBondContact O-CA 3.4Å; T16-V78 PolarHBondContact O-N 3.46Å
17V92.7Very high82.1Confident0 Ų087 Ų870%044%0.443CS..EExtended strand (participates in β ladder)trans-111.3115.3175.6-179.50000109.1K23 E24 I26 F37 I41 F45 V78 L80V17-K23 WeakPolarHBondContact O-CA 3.32Å; V17-E24 PolarHBondContact N-O 3.18Å; V17-E24 PolarHBondContact O-N 3.27Å; V17-I26 HydrophobicContact CG2-CD1 4.07Å; V17-F37 HydrophobicContact CG2-CE1 4.26Å; V17-F37 HydrophobicContact CG2-CE2 4.24Å; V17-F37 HydrophobicContact CG2-CZ 3.53Å; V17-I41 HydrophobicContact CG2-CD1 4.17Å; V17-I41 HydrophobicContact CG2-CG1 4.19Å; V17-F45 HydrophobicContact CB-CE2 4.15Å; V17-F45 HydrophobicContact CB-CZ 4.4Å; V17-F45 HydrophobicContact CG1-CE2 3.8Å; V17-F45 HydrophobicContact CG1-CZ 4.05Å; V17-V78 WeakPolarHBondContact CA-O 3.2Å; V17-L80 HydrophobicContact CG1-CB 3.64Å; V17-L80 HydrophobicContact CG1-CD2 3.9Å; V17-L80 HydrophobicContact CG1-CG 4.42Å
18K91.7Very high84.2Confident90 Ų9083.2 Ų83.239%0.39141%0.409SS..EExtended strand (participates in β ladder)trans-104.7119.1177.6-74.5-178.271.6-166.80111.2T16 K23 T77 V78 H79 L80T16-K18 HydrophobicContact CG2-CG 4.1Å; K18-K23 HydrophobicContact CG-CB 4.36Å; K18-K23 HydrophobicContact CG-CG 4.07Å; K18-T77 HydrophobicContact CB-CG2 4.43Å; K18-T77 HydrophobicContact CD-CG2 3.62Å; K18-T77 HydrophobicContact CG-CG2 3.89Å; K18-V78 PolarHBondContact N-O 3.41Å; K18-H79 CarbonylContact O-C 3.41Å; K18-H79 WeakPolarHBondContact O-CA 3.26Å; K18-L80 PolarHBondContact O-N 3.5Å
19T89Confident86.2Confident21 Ų2176.9 Ų76.913%0.12938%0.384CS..  trans-91.4170.116063.50000109.8K21 D22 F45 L80T19-K21 PolarHBondContact O-N 3.44Å; T19-K21 VanDerWaalsContact O-N 3.08Å; T19-K21 PolarHBondContact OG1-N 3.02Å; T19-D22 PolarHBondContact N-O 3.42Å; T19-D22 PolarHBondContact OG1-N 2.99Å; T19-D22 PolarHBondContact OG1-O 3.05Å; T19-F45 HydrophobicContact CG2-CD1 3.7Å; T19-F45 HydrophobicContact CG2-CE1 3.37Å; T19-F45 HydrophobicContact CG2-CZ 4.01Å; T19-L80 HydrophobicContact CG2-CB 3.9Å; T19-L80 HydrophobicContact CG2-CD2 3.66Å; T19-L80 HydrophobicContact CG2-CG 3.86Å
20P85Confident87.5Confident125 Ų12571.5 Ų71.581%0.81235%0.349SS*.SBendtrans-66.75.9169.226.6-37000115.3
21K82.4Confident88.2Confident191 Ų19169 Ų6983%0.8335%0.345SS*.SBendtrans-128.6-46.3178.6-64.8-174.1178-176.90112.7T19T19-K21 PolarHBondContact O-N 3.44Å; T19-K21 VanDerWaalsContact O-N 3.08Å; T19-K21 PolarHBondContact OG1-N 3.02Å
22D87.4Confident88.6Confident104 Ų10465.3 Ų65.356%0.55632%0.322SS*.  trans-130.5149.4-169.8-61.6-88000112.2T19 F45T19-D22 PolarHBondContact N-O 3.42Å; T19-D22 PolarHBondContact OG1-N 2.99Å; T19-D22 PolarHBondContact OG1-O 3.05Å; D22-F45 HydrophobicContact CB-CE1 4.14Å
23K90Very high88.7Confident121 Ų12160.8 Ų60.853%0.52630%0.304SS..EExtended strand (participates in β ladder)trans-118.3119.3173.9178.3-158.9-177.9-610109T16 V17 K18T16-K23 HydrophobicContact CG2-CD 4.2Å; T16-K23 VanDerWaalsContact CG2-CE 3.44Å; T16-K23 HydrophobicContact CG2-CG 3.83Å; T16-K23 PolarHBondContact OG1-NZ 3.2Å; V17-K23 WeakPolarHBondContact O-CA 3.32Å; K18-K23 HydrophobicContact CG-CB 4.36Å; K18-K23 HydrophobicContact CG-CG 4.07Å
24E90Very high88.6Confident60 Ų6060 Ų6028%0.2830%0.3SS..EExtended strand (participates in β ladder)trans-112.3167.5167.6-80.4-145.6-147.900111.8T16 V17 R44 F45T16-E24 WeakPolarHBondContact CA-O 3.47Å; V17-E24 PolarHBondContact N-O 3.18Å; V17-E24 PolarHBondContact O-N 3.27Å; E24-R44 VanDerWaalsContact OE2-CD 3.27Å; E24-R44 WeakPolarHBondContact OE2-CD 3.47Å; E24-R44 WeakPolarHBondContact OE2-CG 3.34Å; E24-R44 IonicContact OE2-CZ 2.85Å; E24-R44 IonicContact OE2-NE 3.62Å; E24-R44 IonicContact OE2-NH1 2.76Å; E24-R44 PolarHBondContact OE2-NH1 3.19Å; E24-F45 HydrophobicContact CB-CE2 3.97Å; E24-F45 HydrophobicContact CB-CZ 3.87Å; E24-F45 HydrophobicContact CG-CE2 4.39Å; E24-F45 HydrophobicContact CG-CZ 4.15Å
25E91.4Very high88.5Confident95 Ų9560 Ų6044%0.44430%0.303SS..EExtended strand (participates in β ladder)trans-125.7125.2173.6-171.4174.5151.300108.6R14R14-E25 HydrophobicContact CB-CG 4.25Å; R14-E25 WeakPolarHBondContact CB-OE1 3.39Å; R14-E25 WeakPolarHBondContact CD-OE1 3.44Å
26I89.8Confident88.4Confident0 Ų064.8 Ų64.80%033%0.325CS..EExtended strand (participates in β ladder)trans-122.7131.8-170.5-67.4177.4000108.8R14 V15 V17 F37 E40 I41 R44R14-I26 WeakPolarHBondContact CA-O 3.4Å; V15-I26 PolarHBondContact N-O 3.2Å; V15-I26 PolarHBondContact O-N 2.93Å; V17-I26 HydrophobicContact CG2-CD1 4.07Å; I26-F37 HydrophobicContact CB-CE2 4.08Å; I26-F37 HydrophobicContact CG2-CD2 4.16Å; I26-F37 HydrophobicContact CG2-CE2 3.79Å; I26-E40 HydrophobicContact CG2-CB 4.08Å; I26-E40 HydrophobicContact CG2-CG 3.51Å; I26-I41 HydrophobicContact CD1-CB 4.23Å; I26-I41 HydrophobicContact CD1-CG1 3.42Å; I26-I41 VanDerWaalsContact CD1-CG1 3.42Å; I26-R44 HydrophobicContact CD1-CG 4.08Å; I26-R44 HydrophobicContact CG1-CG 4.26Å
27V91.2Very high88.3Confident71 Ų7164.2 Ų64.243%0.4332%0.321SS..EExtended strand (participates in β ladder)trans-108.2107.7-173.3-155.60000108.6Q12 I13 R14Q12-V27 HydrophobicContact CG-CG1 3.91Å; Q12-V27 PolarHBondContact NE2-O 3.29Å; I13-V27 WeakPolarHBondContact O-CA 3.25Å; R14-V27 HydrophobicContact CG-CG1 3.92Å; R14-V27 HydrophobicContact CG-CG2 4.14Å
28I89.2Confident88.1Confident17 Ų1765 Ų659%0.08733%0.325CS..EExtended strand (participates in β ladder)trans-134.6155.5-171.1-169.8163.4000111.5Q12 I13 V15 D30 A32 E36 F37 L67Q12-I28 CarbonylContact C-O 3.57Å; Q12-I28 WeakPolarHBondContact CA-O 3.45Å; Q12-I28 VanDerWaalsContact CG-O 3.28Å; Q12-I28 WeakPolarHBondContact CG-O 3.21Å; I13-I28 HydrophobicContact CG1-CG2 4.22Å; I13-I28 WeakPolarHBondContact CG1-O 3.46Å; I13-I28 PolarHBondContact N-O 3.11Å; I13-I28 PolarHBondContact O-N 2.92Å; V15-I28 HydrophobicContact CG2-CG2 4.41Å; I28-D30 PolarHBondContact O-N 3.31Å; I28-A32 HydrophobicContact CD1-CB 3.75Å; I28-A32 HydrophobicContact CG1-CB 3.7Å; I28-E36 HydrophobicContact CD1-CB 4.33Å; I28-F37 HydrophobicContact CB-CD2 4.45Å; I28-F37 VanDerWaalsContact CD1-CA 3.45Å; I28-F37 HydrophobicContact CD1-CB 3.76Å; I28-F37 HydrophobicContact CD1-CD2 3.86Å; I28-F37 HydrophobicContact CD1-CG 4.27Å; I28-F37 HydrophobicContact CG2-CD2 3.9Å; I28-F37 HydrophobicContact CG2-CE2 4.18Å; I28-L67 HydrophobicContact CD1-CD1 4.43Å; I28-L67 HydrophobicContact CG2-CD1 3.56Å
29C87.5Confident88Confident41 Ų4164.2 Ų64.228%0.27732%0.323SS..EExtended strand (participates in β ladder)trans-60.1136.8173.5-67.30000110.7P11 Q31 A32P11-C29 WeakPolarHBondContact O-CA 3.45Å; C29-Q31 VanDerWaalsContact C-N 3.28Å; C29-Q31 PolarHBondContact O-N 3.05Å; C29-A32 HydrophobicContact CB-CB 4.32Å; C29-A32 WeakPolarHBondContact O-CB 3.32Å; C29-A32 PolarHBondContact O-N 3.38Å
30D83.6Confident88Confident33 Ų3366.2 Ų66.218%0.17633%0.33CS..THydrogen-bonded Turntrans-54.1-45.7176.1163.254.1000111.9P11 I13 I28 A32 S68P11-D30 HydrophobicContact CG-CB 4.35Å; P11-D30 PolarHBondContact O-N 3.09Å; I13-D30 HydrophobicContact CD1-CB 4.44Å; I13-D30 HydrophobicContact CG1-CB 4.47Å; I13-D30 HydrophobicContact CG2-CB 4.04Å; I28-D30 PolarHBondContact O-N 3.31Å; D30-A32 PolarHBondContact O-N 3.15Å; D30-A32 VanDerWaalsContact O-N 3.16Å; D30-S68 VanDerWaalsContact CG-OG 3.24Å; D30-S68 PolarHBondContact O-OG 2.8Å; D30-S68 WeakPolarHBondContact OD1-CB 3.43Å; D30-S68 PolarHBondContact OD1-OG 3.34Å; D30-S68 PolarHBondContact OD2-OG 3.43Å
31Q81.7Confident88.3Confident124 Ų12460.2 Ų60.258%0.57929%0.292SS*.THydrogen-bonded Turntrans-77.39.1179.8-60.5-61-57.600114.3C29 S68C29-Q31 VanDerWaalsContact C-N 3.28Å; C29-Q31 PolarHBondContact O-N 3.05Å; Q31-S68 PolarHBondContact NE2-OG 3.23Å
32A85.4Confident88.5Confident4 Ų452.1 Ų52.13%0.03326%0.259CS..  trans-70.4150.9177.700000112.3I28 C29 D30 E36 T66 L67I28-A32 HydrophobicContact CD1-CB 3.75Å; I28-A32 HydrophobicContact CG1-CB 3.7Å; C29-A32 HydrophobicContact CB-CB 4.32Å; C29-A32 WeakPolarHBondContact O-CB 3.32Å; C29-A32 PolarHBondContact O-N 3.38Å; D30-A32 PolarHBondContact O-N 3.15Å; D30-A32 VanDerWaalsContact O-N 3.16Å; A32-E36 HydrophobicContact CB-CB 4.3Å; A32-T66 WeakPolarHBondContact O-CA 3.22Å; A32-L67 HydrophobicContact CB-CD1 4.47Å; A32-L67 PolarHBondContact O-N 3.01Å; A32-L67 VanDerWaalsContact O-N 3.14Å
33S88.9Confident88.6Confident28 Ų2854.8 Ų54.820%0.19626%0.261CS..BIsolated β-bridgetrans-70.3154.5168.964.60000111.7K35 E36 F37 D65S33-K35 PolarHBondContact O-N 3.25Å; S33-E36 VanDerWaalsContact CB-OE2 3.3Å; S33-E36 WeakPolarHBondContact CB-OE2 3.33Å; S33-E36 PolarHBondContact N-OE2 3.37Å; S33-E36 PolarHBondContact O-N 3.37Å; S33-E36 WeakPolarHBondContact OG-CG 3.34Å; S33-E36 PolarHBondContact OG-N 3.25Å; S33-E36 VanDerWaalsContact OG-N 3.15Å; S33-E36 PolarHBondContact OG-OE2 2.9Å; S33-F37 PolarHBondContact O-N 2.9Å; S33-F37 VanDerWaalsContact O-N 3.11Å; S33-D65 WeakPolarHBondContact CA-O 3.48Å
34V89.3Confident88.4Confident0 Ų053.8 Ų53.80%025%0.254CS..Hα-helixtrans-57.3-31.1169.5170.50000111.2F37 K38 L54 L61 K62 D65 L67V34-F37 PolarHBondContact O-N 3.49Å; V34-K38 WeakPolarHBondContact O-CG 3.23Å; V34-K38 PolarHBondContact O-N 2.87Å; V34-L54 HydrophobicContact CG1-CD1 4.3Å; V34-L61 HydrophobicContact CG1-CB 3.81Å; V34-L61 HydrophobicContact CG1-CD2 4.37Å; V34-L61 HydrophobicContact CG2-CB 3.93Å; V34-L61 HydrophobicContact CG2-CD2 3.89Å; V34-L61 HydrophobicContact CG2-CG 4.29Å; V34-K62 VanDerWaalsContact CB-O 3.26Å; V34-K62 WeakPolarHBondContact CB-O 3.32Å; V34-K62 WeakPolarHBondContact CG2-O 3.4Å; V34-D65 HydrophobicContact CG2-CB 4.21Å; V34-D65 WeakPolarHBondContact CG2-O 3.31Å; V34-D65 PolarHBondContact N-O 2.88Å; V34-L67 HydrophobicContact CG2-CD2 4.37Å
35K88.1Confident88.1Confident121 Ų12152.5 Ų52.553%0.52625%0.248SC..Hα-helixtrans-63-47.7174.7-172.3-176.8175.9-174.40112.7S33 F37 K38 E39 D63S33-K35 PolarHBondContact O-N 3.25Å; K35-F37 VanDerWaalsContact C-N 3.29Å; K35-F37 PolarHBondContact O-N 3.5Å; K35-K38 PolarHBondContact O-N 3.2Å; K35-E39 PolarHBondContact O-N 3.45Å; K35-D63 HydrophobicContact CB-CB 4.24Å
36E89.4Confident87.8Confident102 Ų10257.2 Ų57.248%0.47727%0.267SS..Hα-helixtrans-62-39.2175-72.6158.1102.700111.1I28 A32 S33 E39 E40I28-E36 HydrophobicContact CD1-CB 4.33Å; A32-E36 HydrophobicContact CB-CB 4.3Å; S33-E36 VanDerWaalsContact CB-OE2 3.3Å; S33-E36 WeakPolarHBondContact CB-OE2 3.33Å; S33-E36 PolarHBondContact N-OE2 3.37Å; S33-E36 PolarHBondContact O-N 3.37Å; S33-E36 WeakPolarHBondContact OG-CG 3.34Å; S33-E36 PolarHBondContact OG-N 3.25Å; S33-E36 VanDerWaalsContact OG-N 3.15Å; S33-E36 PolarHBondContact OG-OE2 2.9Å; E36-E39 WeakPolarHBondContact O-CB 3.27Å; E36-E39 PolarHBondContact O-N 2.78Å; E36-E39 VanDerWaalsContact O-N 3.16Å; E36-E40 PolarHBondContact O-N 3.41Å; E36-E40 VanDerWaalsContact O-N 3.15Å
37F90.3Very high87.5Confident0 Ų058 Ų580%027%0.273CS..Hα-helixtrans-64.1-43.8175.4-169.3-135.3000112.2V15 V17 I26 I28 S33 V34 K35 E39 E40 I41 L54 L67 V78V15-F37 HydrophobicContact CB-CE2 4.01Å; V15-F37 HydrophobicContact CB-CZ 3.72Å; V15-F37 HydrophobicContact CG1-CE1 4.19Å; V15-F37 HydrophobicContact CG1-CE2 4.34Å; V15-F37 HydrophobicContact CG1-CZ 3.54Å; V15-F37 HydrophobicContact CG2-CE2 4.45Å; V15-F37 HydrophobicContact CG2-CZ 4.36Å; V17-F37 HydrophobicContact CG2-CE1 4.26Å; V17-F37 HydrophobicContact CG2-CE2 4.24Å; V17-F37 HydrophobicContact CG2-CZ 3.53Å; I26-F37 HydrophobicContact CB-CE2 4.08Å; I26-F37 HydrophobicContact CG2-CD2 4.16Å; I26-F37 HydrophobicContact CG2-CE2 3.79Å; I28-F37 HydrophobicContact CB-CD2 4.45Å; I28-F37 VanDerWaalsContact CD1-CA 3.45Å; I28-F37 HydrophobicContact CD1-CB 3.76Å; I28-F37 HydrophobicContact CD1-CD2 3.86Å; I28-F37 HydrophobicContact CD1-CG 4.27Å; I28-F37 HydrophobicContact CG2-CD2 3.9Å; I28-F37 HydrophobicContact CG2-CE2 4.18Å; S33-F37 PolarHBondContact O-N 2.9Å; S33-F37 VanDerWaalsContact O-N 3.11Å; V34-F37 PolarHBondContact O-N 3.49Å; K35-F37 VanDerWaalsContact C-N 3.29Å; K35-F37 PolarHBondContact O-N 3.5Å; F37-E39 VanDerWaalsContact C-N 3.26Å; F37-E39 PolarHBondContact O-N 3.2Å; F37-E40 PolarHBondContact O-N 3.4Å; F37-I41 HydrophobicContact CD1-CD1 3.67Å; F37-I41 HydrophobicContact CD2-CD1 4.13Å; F37-I41 HydrophobicContact CD2-CG1 4.49Å; F37-I41 HydrophobicContact CE1-CD1 3.66Å; F37-I41 HydrophobicContact CE2-CD1 4.12Å; F37-I41 HydrophobicContact CE2-CG1 4.4Å; F37-I41 HydrophobicContact CG-CD1 3.92Å; F37-I41 HydrophobicContact CZ-CD1 3.88Å; F37-I41 HydrophobicContact CZ-CG1 4.5Å; F37-I41 WeakPolarHBondContact O-CB 3.19Å; F37-I41 WeakPolarHBondContact O-CD1 3.38Å; F37-I41 WeakPolarHBondContact O-CG1 3.14Å; F37-I41 PolarHBondContact O-N 3.1Å; F37-L54 HydrophobicContact CD1-CD1 3.77Å; F37-L54 HydrophobicContact CE1-CD1 4.21Å; F37-L54 HydrophobicContact CE1-CD2 4.31Å; F37-L67 HydrophobicContact CB-CD1 4.26Å; F37-L67 HydrophobicContact CB-CD2 4.07Å; F37-L67 HydrophobicContact CD1-CD2 3.64Å; F37-L67 HydrophobicContact CD2-CD1 4.41Å; F37-L67 HydrophobicContact CE1-CD2 4.28Å; F37-L67 HydrophobicContact CG-CD1 4.19Å; F37-L67 HydrophobicContact CG-CD2 3.97Å; F37-V78 HydrophobicContact CE1-CG2 4.43Å
38K89.3Confident87.2Confident16 Ų1660.8 Ų60.87%0.0728%0.282CS..Hα-helixtrans-59.9-33.7171.2-78.9-167.9-171.3175.90112.6V34 K35 S42 Q49 L52 L54 D63V34-K38 WeakPolarHBondContact O-CG 3.23Å; V34-K38 PolarHBondContact O-N 2.87Å; K35-K38 PolarHBondContact O-N 3.2Å; K38-S42 VanDerWaalsContact O-CB 3.27Å; K38-S42 WeakPolarHBondContact O-CB 3.5Å; K38-S42 PolarHBondContact O-N 2.8Å; K38-S42 PolarHBondContact O-OG 2.85Å; K38-Q49 HydrophobicContact CB-CB 4.48Å; K38-Q49 HydrophobicContact CB-CG 4.47Å; K38-Q49 WeakPolarHBondContact CD-O 3.48Å; K38-L52 HydrophobicContact CB-CD1 4.12Å; K38-L52 HydrophobicContact CD-CB 4.18Å; K38-L52 WeakPolarHBondContact CE-O 3.25Å; K38-L52 HydrophobicContact CG-CB 4.26Å; K38-L52 HydrophobicContact CG-CD1 4.36Å; K38-L52 PolarHBondContact NZ-O 2.88Å; K38-L52 WeakPolarHBondContact O-CD1 3.5Å; K38-L54 HydrophobicContact CG-CD1 3.73Å; K38-D63 WeakPolarHBondContact CD-OD1 3.41Å; K38-D63 WeakPolarHBondContact CE-OD1 3.33Å; K38-D63 IonicContact NZ-OD1 2.9Å; K38-D63 PolarHBondContact NZ-OD1 3.08Å; K38-D63 IonicContact NZ-OD2 2.69Å; K38-D63 PolarHBondContact NZ-OD2 2.99Å
39E90.1Very high87Confident75 Ų7563 Ų6335%0.3529%0.291SS..Hα-helixtrans-64.7-49.3175.4-174.4164.615100111.6K35 E36 F37 I41 S42 R43 Q49K35-E39 PolarHBondContact O-N 3.45Å; E36-E39 WeakPolarHBondContact O-CB 3.27Å; E36-E39 PolarHBondContact O-N 2.78Å; E36-E39 VanDerWaalsContact O-N 3.16Å; F37-E39 VanDerWaalsContact C-N 3.26Å; F37-E39 PolarHBondContact O-N 3.2Å; E39-I41 VanDerWaalsContact C-N 3.31Å; E39-I41 PolarHBondContact O-N 2.88Å; E39-S42 WeakPolarHBondContact CA-OG 3.49Å; E39-S42 WeakPolarHBondContact O-CB 3.49Å; E39-S42 PolarHBondContact O-N 2.89Å; E39-S42 VanDerWaalsContact O-N 3.08Å; E39-S42 PolarHBondContact O-OG 3Å; E39-R43 WeakPolarHBondContact O-CG 3.33Å; E39-R43 PolarHBondContact O-N 3.03Å; E39-R43 VanDerWaalsContact O-N 3.11Å; E39-R43 IonicContact OE1-CZ 2.75Å; E39-R43 IonicContact OE1-NE 2.9Å; E39-R43 PolarHBondContact OE1-NE 3.42Å; E39-R43 IonicContact OE1-NH2 3.83Å; E39-R43 PolarHBondContact OE1-NH2 3.46Å; E39-Q49 VanDerWaalsContact CB-NE2 3.32Å; E39-Q49 PolarHBondContact OE2-NE2 2.83Å
40E89.1Confident86.8Confident62 Ų6268.1 Ų68.129%0.2932%0.316SS..Hα-helixtrans-64.3-38.8178.9-170.655.7-15600111.4I26 E36 F37 S42 R43 R44I26-E40 HydrophobicContact CG2-CB 4.08Å; I26-E40 HydrophobicContact CG2-CG 3.51Å; E36-E40 PolarHBondContact O-N 3.41Å; E36-E40 VanDerWaalsContact O-N 3.15Å; F37-E40 PolarHBondContact O-N 3.4Å; E40-S42 PolarHBondContact O-N 2.8Å; E40-R43 PolarHBondContact O-N 3.05Å; E40-R44 WeakPolarHBondContact O-CG 3.35Å; E40-R44 PolarHBondContact O-N 3.22Å; E40-R44 IonicContact OE1-NE 3.55Å; E40-R44 PolarHBondContact OE1-NE 2.94Å; E40-R44 IonicContact OE1-NH2 2.72Å
41I89.6Confident87Confident0 Ų067.8 Ų67.80%031%0.314CS..Hα-helixtrans-59.7-43.2170.7-68.1161.4000111.7V17 I26 F37 E39 R43 R44 F45 L52 L54 L80V17-I41 HydrophobicContact CG2-CD1 4.17Å; V17-I41 HydrophobicContact CG2-CG1 4.19Å; I26-I41 HydrophobicContact CD1-CB 4.23Å; I26-I41 HydrophobicContact CD1-CG1 3.42Å; I26-I41 VanDerWaalsContact CD1-CG1 3.42Å; F37-I41 HydrophobicContact CD1-CD1 3.67Å; F37-I41 HydrophobicContact CD2-CD1 4.13Å; F37-I41 HydrophobicContact CD2-CG1 4.49Å; F37-I41 HydrophobicContact CE1-CD1 3.66Å; F37-I41 HydrophobicContact CE2-CD1 4.12Å; F37-I41 HydrophobicContact CE2-CG1 4.4Å; F37-I41 HydrophobicContact CG-CD1 3.92Å; F37-I41 HydrophobicContact CZ-CD1 3.88Å; F37-I41 HydrophobicContact CZ-CG1 4.5Å; F37-I41 WeakPolarHBondContact O-CB 3.19Å; F37-I41 WeakPolarHBondContact O-CD1 3.38Å; F37-I41 WeakPolarHBondContact O-CG1 3.14Å; F37-I41 PolarHBondContact O-N 3.1Å; E39-I41 VanDerWaalsContact C-N 3.31Å; E39-I41 PolarHBondContact O-N 2.88Å; I41-R43 PolarHBondContact O-N 3.3Å; I41-R44 PolarHBondContact O-N 2.98Å; I41-F45 HydrophobicContact CG2-CD2 3.74Å; I41-F45 HydrophobicContact CG2-CE2 4.35Å; I41-F45 PolarHBondContact O-N 2.84Å; I41-L52 HydrophobicContact CB-CD1 4Å; I41-L52 HydrophobicContact CG2-CD1 3.61Å; I41-L52 HydrophobicContact CG2-CD2 4.06Å; I41-L52 HydrophobicContact CG2-CG 4.42Å; I41-L54 HydrophobicContact CD1-CD1 3.74Å; I41-L54 HydrophobicContact CD1-CD2 3.63Å; I41-L54 HydrophobicContact CD1-CG 4.21Å; I41-L80 HydrophobicContact CG2-CD1 4.4Å; I41-L80 HydrophobicContact CG2-CD2 3.43Å; I41-L80 VanDerWaalsContact CG2-CD2 3.43Å
42S88.5Confident87.3Confident21 Ų2162 Ų6215%0.14729%0.286CS..Hα-helixtrans-62.3-33.7-179.6720000112.3K38 E39 E40 K46 A47K38-S42 VanDerWaalsContact O-CB 3.27Å; K38-S42 WeakPolarHBondContact O-CB 3.5Å; K38-S42 PolarHBondContact O-N 2.8Å; K38-S42 PolarHBondContact O-OG 2.85Å; E39-S42 WeakPolarHBondContact CA-OG 3.49Å; E39-S42 WeakPolarHBondContact O-CB 3.49Å; E39-S42 PolarHBondContact O-N 2.89Å; E39-S42 VanDerWaalsContact O-N 3.08Å; E39-S42 PolarHBondContact O-OG 3Å; E40-S42 PolarHBondContact O-N 2.8Å; S42-K46 VanDerWaalsContact O-CA 3.31Å; S42-K46 WeakPolarHBondContact O-CA 3.25Å; S42-K46 PolarHBondContact O-N 3.38Å; S42-A47 WeakPolarHBondContact CA-O 3.47Å; S42-A47 WeakPolarHBondContact CB-O 3.39Å
43R88Confident87.5Confident159 Ų15962.7 Ų62.760%0.629%0.29SS*.Hα-helixtrans-70-40175.7-66.7166178.7-108.72.6111.8E39 E40 I41E39-R43 WeakPolarHBondContact O-CG 3.33Å; E39-R43 PolarHBondContact O-N 3.03Å; E39-R43 VanDerWaalsContact O-N 3.11Å; E39-R43 IonicContact OE1-CZ 2.75Å; E39-R43 IonicContact OE1-NE 2.9Å; E39-R43 PolarHBondContact OE1-NE 3.42Å; E39-R43 IonicContact OE1-NH2 3.83Å; E39-R43 PolarHBondContact OE1-NH2 3.46Å; E40-R43 PolarHBondContact O-N 3.05Å; I41-R43 PolarHBondContact O-N 3.3Å
44R86.6Confident87.6Confident100 Ų10061.3 Ų61.338%0.37728%0.281SS..Hα-helixtrans-71.7-60.1176.7-63.7-51.1-177.198.5-0.6112.9E24 I26 E40 I41 K46E24-R44 VanDerWaalsContact OE2-CD 3.27Å; E24-R44 WeakPolarHBondContact OE2-CD 3.47Å; E24-R44 WeakPolarHBondContact OE2-CG 3.34Å; E24-R44 IonicContact OE2-CZ 2.85Å; E24-R44 IonicContact OE2-NE 3.62Å; E24-R44 IonicContact OE2-NH1 2.76Å; E24-R44 PolarHBondContact OE2-NH1 3.19Å; I26-R44 HydrophobicContact CD1-CG 4.08Å; I26-R44 HydrophobicContact CG1-CG 4.26Å; E40-R44 WeakPolarHBondContact O-CG 3.35Å; E40-R44 PolarHBondContact O-N 3.22Å; E40-R44 IonicContact OE1-NE 3.55Å; E40-R44 PolarHBondContact OE1-NE 2.94Å; E40-R44 IonicContact OE1-NH2 2.72Å; I41-R44 PolarHBondContact O-N 2.98Å; R44-K46 VanDerWaalsContact C-N 3.3Å; R44-K46 PolarHBondContact O-N 2.9Å
45F84Confident87.7Confident34 Ų3463.8 Ų63.815%0.14929%0.294CS..Hα-helixtrans-82.2-1-173.5-69.4-89.6000114.3V17 T19 D22 E24 I41 A47 L80V17-F45 HydrophobicContact CB-CE2 4.15Å; V17-F45 HydrophobicContact CB-CZ 4.4Å; V17-F45 HydrophobicContact CG1-CE2 3.8Å; V17-F45 HydrophobicContact CG1-CZ 4.05Å; T19-F45 HydrophobicContact CG2-CD1 3.7Å; T19-F45 HydrophobicContact CG2-CE1 3.37Å; T19-F45 HydrophobicContact CG2-CZ 4.01Å; D22-F45 HydrophobicContact CB-CE1 4.14Å; E24-F45 HydrophobicContact CB-CE2 3.97Å; E24-F45 HydrophobicContact CB-CZ 3.87Å; E24-F45 HydrophobicContact CG-CE2 4.39Å; E24-F45 HydrophobicContact CG-CZ 4.15Å; I41-F45 HydrophobicContact CG2-CD2 3.74Å; I41-F45 HydrophobicContact CG2-CE2 4.35Å; I41-F45 PolarHBondContact O-N 2.84Å; F45-A47 VanDerWaalsContact C-N 3.28Å; F45-A47 PolarHBondContact O-N 3.25Å; F45-L80 HydrophobicContact CD1-CD2 4.36Å; F45-L80 HydrophobicContact CD2-CD2 3.89Å; F45-L80 HydrophobicContact CE2-CD2 4.12Å; F45-L80 HydrophobicContact CG-CD2 4.01Å; F45-L80 HydrophobicContact CZ-CD2 4.46Å
46K84.9Confident87.8Confident194 Ų19459.7 Ų59.784%0.84328%0.276SS*.  trans56.834175.6-56.4174.6-175.4170.50114.4S42 R44S42-K46 VanDerWaalsContact O-CA 3.31Å; S42-K46 WeakPolarHBondContact O-CA 3.25Å; S42-K46 PolarHBondContact O-N 3.38Å; R44-K46 VanDerWaalsContact C-N 3.3Å; R44-K46 PolarHBondContact O-N 2.9Å
47A82.5Confident87.7Confident15 Ų1558.8 Ų58.812%0.12429%0.286CS..  trans-125147.3179.100000111.1S42 F45 L52 I82S42-A47 WeakPolarHBondContact CA-O 3.47Å; S42-A47 WeakPolarHBondContact CB-O 3.39Å; F45-A47 VanDerWaalsContact C-N 3.28Å; F45-A47 PolarHBondContact O-N 3.25Å; A47-L52 HydrophobicContact CB-CD2 4.04Å; A47-I82 HydrophobicContact CB-CD1 4.11Å; A47-I82 HydrophobicContact CB-CG2 3.88Å
48Q84.7Confident87.4Confident131 Ų13162.4 Ų62.461%0.61232%0.323SS*.  trans-66.1144.3-175.6-64.6179.9-66.100112.3D50 Q51 L52Q48-D50 PolarHBondContact O-N 3.48Å; Q48-D50 VanDerWaalsContact O-N 3.12Å; Q48-Q51 HydrophobicContact CB-CG 4.27Å; Q48-Q51 WeakPolarHBondContact O-CA 3.3Å; Q48-Q51 WeakPolarHBondContact O-CB 3.26Å; Q48-Q51 PolarHBondContact O-N 3.45Å; Q48-L52 PolarHBondContact O-N 3.48Å
49Q86Confident87.3Confident62 Ų6268.2 Ų68.229%0.2935%0.349SS..G310 helixtrans-53.4-35.9-178.3-62.117712.800114K38 E39 Q51 L52K38-Q49 HydrophobicContact CB-CB 4.48Å; K38-Q49 HydrophobicContact CB-CG 4.47Å; K38-Q49 WeakPolarHBondContact CD-O 3.48Å; E39-Q49 VanDerWaalsContact CB-NE2 3.32Å; E39-Q49 PolarHBondContact OE2-NE2 2.83Å; Q49-Q51 VanDerWaalsContact C-N 3.31Å; Q49-Q51 PolarHBondContact O-N 3.01Å; Q49-L52 PolarHBondContact O-N 2.85Å
50D84.1Confident87.3Confident149 Ų14969.8 Ų69.880%0.79736%0.358SS*.G310 helixtrans-63.6-34.1176.3-172.9-106.3000113.1Q48 L52Q48-D50 PolarHBondContact O-N 3.48Å; Q48-D50 VanDerWaalsContact O-N 3.12Å; D50-L52 VanDerWaalsContact C-N 3.32Å; D50-L52 PolarHBondContact O-N 2.81Å
51Q86.3Confident87.2Confident27 Ų2767 Ų6713%0.12635%0.345CS..G310 helixtrans-76.5-17.9177.6-63178.835.300112.7Q48 Q49 V53 I82 K83Q48-Q51 HydrophobicContact CB-CG 4.27Å; Q48-Q51 WeakPolarHBondContact O-CA 3.3Å; Q48-Q51 WeakPolarHBondContact O-CB 3.26Å; Q48-Q51 PolarHBondContact O-N 3.45Å; Q49-Q51 VanDerWaalsContact C-N 3.31Å; Q49-Q51 PolarHBondContact O-N 3.01Å; Q51-V53 PolarHBondContact O-N 3.45Å; Q51-I82 HydrophobicContact CB-CG2 4.18Å; Q51-I82 WeakPolarHBondContact O-CA 3.44Å; Q51-K83 VanDerWaalsContact CB-O 3.23Å; Q51-K83 WeakPolarHBondContact CB-O 3.46Å; Q51-K83 VanDerWaalsContact CG-O 3.29Å; Q51-K83 WeakPolarHBondContact CG-O 3.29Å; Q51-K83 PolarHBondContact O-N 3.4Å; Q51-K83 PolarHBondContact OE1-O 2.97Å
52L88.1Confident87.1Confident1 Ų174 Ų741%0.00538%0.376CS..EExtended strand (participates in β ladder)trans-82.8114.7-176.1-55.9178.1000111.3K38 I41 A47 Q48 Q49 D50 L80 I82K38-L52 HydrophobicContact CB-CD1 4.12Å; K38-L52 HydrophobicContact CD-CB 4.18Å; K38-L52 WeakPolarHBondContact CE-O 3.25Å; K38-L52 HydrophobicContact CG-CB 4.26Å; K38-L52 HydrophobicContact CG-CD1 4.36Å; K38-L52 PolarHBondContact NZ-O 2.88Å; K38-L52 WeakPolarHBondContact O-CD1 3.5Å; I41-L52 HydrophobicContact CB-CD1 4Å; I41-L52 HydrophobicContact CG2-CD1 3.61Å; I41-L52 HydrophobicContact CG2-CD2 4.06Å; I41-L52 HydrophobicContact CG2-CG 4.42Å; A47-L52 HydrophobicContact CB-CD2 4.04Å; Q48-L52 PolarHBondContact O-N 3.48Å; Q49-L52 PolarHBondContact O-N 2.85Å; D50-L52 VanDerWaalsContact C-N 3.32Å; D50-L52 PolarHBondContact O-N 2.81Å; L52-L80 HydrophobicContact CB-CD1 3.9Å; L52-L80 HydrophobicContact CD2-CD1 3.84Å; L52-L80 HydrophobicContact CD2-CD2 4.19Å; L52-L80 HydrophobicContact CG-CD1 4.41Å; L52-I82 HydrophobicContact CD2-CG1 4.24Å
53V89.7Confident86.8Confident19 Ų1976.4 Ų76.412%0.11539%0.387CS..EExtended strand (participates in β ladder)trans-109.9114.5171.1-177.30000109.3Q51 I55 I60 V81 K83Q51-V53 PolarHBondContact O-N 3.45Å; V53-I55 HydrophobicContact CG1-CG1 4.36Å; V53-I60 HydrophobicContact CG1-CD1 4.47Å; V53-I60 HydrophobicContact CG1-CG1 4.4Å; V53-I60 HydrophobicContact CG1-CG2 3.75Å; V53-V81 HydrophobicContact CB-CB 4.38Å; V53-V81 PolarHBondContact N-O 3.13Å; V53-V81 PolarHBondContact O-N 3.42Å; V53-K83 HydrophobicContact CG2-CD 3.71Å; V53-K83 HydrophobicContact CG2-CG 4Å
54L90.6Very high86.4Confident0 Ų072.5 Ų72.50%040%0.396CS..EExtended strand (participates in β ladder)trans-96.2136.3179.7-72.5162.4000110.7V34 F37 K38 I41 I60 L61 V78 L80V34-L54 HydrophobicContact CG1-CD1 4.3Å; F37-L54 HydrophobicContact CD1-CD1 3.77Å; F37-L54 HydrophobicContact CE1-CD1 4.21Å; F37-L54 HydrophobicContact CE1-CD2 4.31Å; K38-L54 HydrophobicContact CG-CD1 3.73Å; I41-L54 HydrophobicContact CD1-CD1 3.74Å; I41-L54 HydrophobicContact CD1-CD2 3.63Å; I41-L54 HydrophobicContact CD1-CG 4.21Å; L54-I60 WeakPolarHBondContact O-CA 3.28Å; L54-L61 HydrophobicContact CB-CB 4.1Å; L54-L61 HydrophobicContact CB-CD1 4.16Å; L54-L61 HydrophobicContact CB-CD2 4.02Å; L54-L61 HydrophobicContact CB-CG 4.33Å; L54-L61 HydrophobicContact CD1-CD2 4.46Å; L54-L61 WeakPolarHBondContact O-CD1 3.4Å; L54-L61 PolarHBondContact O-N 2.91Å; L54-V78 HydrophobicContact CB-CG1 4.1Å; L54-V78 HydrophobicContact CD2-CG1 3.63Å; L54-V78 HydrophobicContact CG-CG1 4.46Å; L54-L80 HydrophobicContact CD2-CB 4.24Å; L54-L80 HydrophobicContact CD2-CD1 4.09Å; L54-L80 HydrophobicContact CG-CD1 4.42Å
55I92Very high86.3Confident52 Ų5269.8 Ų69.827%0.26739%0.389SS..EExtended strand (participates in β ladder)trans-131.4119.7-174.7-51.4179000109.4V53 K59 I60 H79 V81V53-I55 HydrophobicContact CG1-CG1 4.36Å; I55-K59 WeakPolarHBondContact CA-O 3.5Å; I55-I60 HydrophobicContact CG1-CG1 4.34Å; I55-H79 HydrophobicContact CB-CB 4.38Å; I55-H79 PolarHBondContact N-O 3.33Å; I55-H79 PolarHBondContact O-N 3Å; I55-V81 HydrophobicContact CD1-CG2 3.85Å
56F90.6Very high86.4Confident34 Ų3469.9 Ų69.915%0.14939%0.392CS..EExtended strand (participates in β ladder)trans-135.9137.8176.6-174.6-108.3000110.3G58 K59 L61 H70 I72 L76 T77 V78F56-G58 PolarHBondContact O-N 2.96Å; F56-K59 PolarHBondContact N-O 2.94Å; F56-K59 PolarHBondContact O-N 2.98Å; F56-L61 HydrophobicContact CB-CD1 3.69Å; F56-H70 VanDerWaalsContact CD1-O 3.3Å; F56-H70 WeakPolarHBondContact CD1-O 3.37Å; F56-H70 WeakPolarHBondContact CE1-O 3.34Å; F56-I72 HydrophobicContact CB-CD1 4.25Å; F56-I72 HydrophobicContact CB-CG1 4.4Å; F56-I72 HydrophobicContact CD1-CD1 4.31Å; F56-I72 HydrophobicContact CD1-CG1 3.62Å; F56-I72 HydrophobicContact CD2-CG1 4.28Å; F56-I72 HydrophobicContact CE1-CG1 3.94Å; F56-I72 HydrophobicContact CG-CD1 4.21Å; F56-I72 HydrophobicContact CG-CG1 3.82Å; F56-I72 HydrophobicContact CZ-CG1 4.42Å; F56-L76 HydrophobicContact CE2-CB 4.2Å; F56-L76 HydrophobicContact CE2-CD1 4.46Å; F56-L76 HydrophobicContact CZ-CB 4.41Å; F56-L76 HydrophobicContact CZ-CD1 3.85Å; F56-T77 WeakPolarHBondContact CD2-O 3.28Å; F56-V78 HydrophobicContact CB-CG1 4.42Å; F56-V78 HydrophobicContact CB-CG2 4.31Å; F56-V78 HydrophobicContact CD2-CG2 3.97Å; F56-V78 HydrophobicContact CG-CG2 4.37Å
57A86.1Confident86.4Confident84 Ų8460.6 Ų60.669%0.69435%0.352SS*.THydrogen-bonded Turntrans47.336.7-178.300000114.5K59A57-K59 PolarHBondContact O-N 3.34Å
58G84.3Confident86.4Confident76 Ų7661.8 Ų61.878%0.78436%0.359SS*.THydrogen-bonded Turntrans76.7-2.2-177.200000115.7F56F56-G58 PolarHBondContact O-N 2.96Å
59K87.7Confident86.4Confident138 Ų13862.2 Ų62.260%0.636%0.361SS*.EExtended strand (participates in β ladder)trans-101.4143.9178.4-62.9178.2-178.4176.40111.1I55 F56 A57I55-K59 WeakPolarHBondContact CA-O 3.5Å; F56-K59 PolarHBondContact N-O 2.94Å; F56-K59 PolarHBondContact O-N 2.98Å; A57-K59 PolarHBondContact O-N 3.34Å
60I90.6Very high86.2Confident107 Ų10761.2 Ų61.255%0.54936%0.356SS..EExtended strand (participates in β ladder)trans-84.5124.9169.2-61.2170.9000108.4V53 L54 I55V53-I60 HydrophobicContact CG1-CD1 4.47Å; V53-I60 HydrophobicContact CG1-CG1 4.4Å; V53-I60 HydrophobicContact CG1-CG2 3.75Å; L54-I60 WeakPolarHBondContact O-CA 3.28Å; I55-I60 HydrophobicContact CG1-CG1 4.34Å
61L87.2Confident86.1Confident5 Ų555.6 Ų55.63%0.02633%0.334CS..PPolyproline II helixtrans-73.7138.4176.6-70.365000109.7V34 L54 F56 L67 I72V34-L61 HydrophobicContact CG1-CB 3.81Å; V34-L61 HydrophobicContact CG1-CD2 4.37Å; V34-L61 HydrophobicContact CG2-CB 3.93Å; V34-L61 HydrophobicContact CG2-CD2 3.89Å; V34-L61 HydrophobicContact CG2-CG 4.29Å; L54-L61 HydrophobicContact CB-CB 4.1Å; L54-L61 HydrophobicContact CB-CD1 4.16Å; L54-L61 HydrophobicContact CB-CD2 4.02Å; L54-L61 HydrophobicContact CB-CG 4.33Å; L54-L61 HydrophobicContact CD1-CD2 4.46Å; L54-L61 WeakPolarHBondContact O-CD1 3.4Å; L54-L61 PolarHBondContact O-N 2.91Å; F56-L61 HydrophobicContact CB-CD1 3.69Å; L61-L67 HydrophobicContact CD2-CD2 4.38Å; L61-I72 HydrophobicContact CD2-CD1 3.55Å; L61-I72 HydrophobicContact CG-CD1 4.38Å
62K86.1Confident86.1Confident147 Ų14754.3 Ų54.364%0.63933%0.328SS*.  trans-108.4150.7175.2-60177.2-179176.80110.7V34 G64 D65V34-K62 VanDerWaalsContact CB-O 3.26Å; V34-K62 WeakPolarHBondContact CB-O 3.32Å; V34-K62 WeakPolarHBondContact CG2-O 3.4Å; K62-G64 PolarHBondContact O-N 2.81Å; K62-G64 VanDerWaalsContact O-N 3.08Å; K62-D65 WeakPolarHBondContact CB-OD2 3.5Å; K62-D65 PolarHBondContact N-OD2 3.31Å; K62-D65 WeakPolarHBondContact O-CB 3.42Å; K62-D65 PolarHBondContact O-N 3.44Å
63D82.1Confident85.9Confident70 Ų7060.9 Ų60.937%0.37436%0.357SS..THydrogen-bonded Turntrans-65.2-16.6-171.1-62.9-49.8000115.3K35 K38K35-D63 HydrophobicContact CB-CB 4.24Å; K38-D63 WeakPolarHBondContact CD-OD1 3.41Å; K38-D63 WeakPolarHBondContact CE-OD1 3.33Å; K38-D63 IonicContact NZ-OD1 2.9Å; K38-D63 PolarHBondContact NZ-OD1 3.08Å; K38-D63 IonicContact NZ-OD2 2.69Å; K38-D63 PolarHBondContact NZ-OD2 2.99Å
64G80.9Confident85.9Confident77 Ų7763.4 Ų63.479%0.79437%0.37SS*.THydrogen-bonded Turntrans-89.1-6.517400000115.1K62K62-G64 PolarHBondContact O-N 2.81Å; K62-G64 VanDerWaalsContact O-N 3.08Å
65D83.4Confident85.8Confident44 Ų4466 Ų6624%0.23540%0.397CS..SBendtrans-88.5160.8177.3-54.6-42.7000111S33 V34 K62 H70S33-D65 WeakPolarHBondContact CA-O 3.48Å; V34-D65 HydrophobicContact CG2-CB 4.21Å; V34-D65 WeakPolarHBondContact CG2-O 3.31Å; V34-D65 PolarHBondContact N-O 2.88Å; K62-D65 WeakPolarHBondContact CB-OD2 3.5Å; K62-D65 PolarHBondContact N-OD2 3.31Å; K62-D65 WeakPolarHBondContact O-CB 3.42Å; K62-D65 PolarHBondContact O-N 3.44Å; D65-H70 WeakPolarHBondContact CB-NE2 3.22Å; D65-H70 VanDerWaalsContact CG-NE2 3.29Å; D65-H70 IonicContact OD2-CD2 3.53Å; D65-H70 IonicContact OD2-CE1 3.65Å; D65-H70 IonicContact OD2-NE2 3.3Å; D65-H70 PolarHBondContact OD2-NE2 3.38Å
66T87.1Confident85.8Confident35 Ų3566.6 Ų66.622%0.21540%0.4CS..BIsolated β-bridgetrans-100.1155.8169.254.50000111.5A32 S68 Q69A32-T66 WeakPolarHBondContact O-CA 3.22Å; T66-S68 VanDerWaalsContact C-N 3.33Å; T66-S68 PolarHBondContact O-N 3.35Å; T66-Q69 PolarHBondContact O-N 3.37Å; T66-Q69 WeakPolarHBondContact OG1-CG 3.29Å; T66-Q69 PolarHBondContact OG1-NE2 2.78Å
67L84.6Confident85.8Confident0 Ų067.5 Ų67.50%041%0.408CS..THydrogen-bonded Turntrans-59.4-43.5-179-63.6176.9000112I13 I28 A32 V34 F37 L61 Q69 H70 G71 I72I13-L67 HydrophobicContact CD1-CD1 4.39Å; I28-L67 HydrophobicContact CD1-CD1 4.43Å; I28-L67 HydrophobicContact CG2-CD1 3.56Å; A32-L67 HydrophobicContact CB-CD1 4.47Å; A32-L67 PolarHBondContact O-N 3.01Å; A32-L67 VanDerWaalsContact O-N 3.14Å; V34-L67 HydrophobicContact CG2-CD2 4.37Å; F37-L67 HydrophobicContact CB-CD1 4.26Å; F37-L67 HydrophobicContact CB-CD2 4.07Å; F37-L67 HydrophobicContact CD1-CD2 3.64Å; F37-L67 HydrophobicContact CD2-CD1 4.41Å; F37-L67 HydrophobicContact CE1-CD2 4.28Å; F37-L67 HydrophobicContact CG-CD1 4.19Å; F37-L67 HydrophobicContact CG-CD2 3.97Å; L61-L67 HydrophobicContact CD2-CD2 4.38Å; L67-Q69 VanDerWaalsContact C-N 3.29Å; L67-Q69 PolarHBondContact O-N 2.74Å; L67-H70 PolarHBondContact O-N 2.86Å; L67-G71 PolarHBondContact O-N 2.84Å; L67-I72 HydrophobicContact CB-CB 4.21Å; L67-I72 HydrophobicContact CB-CG2 4.47Å; L67-I72 HydrophobicContact CD2-CD1 3.92Å; L67-I72 WeakPolarHBondContact O-CB 3.37Å; L67-I72 PolarHBondContact O-N 3.39Å; L67-I72 VanDerWaalsContact O-N 3.09Å
68S82.7Confident86.1Confident39 Ų3963.5 Ų63.527%0.27338%0.375SS..G310 helixtrans-61.4-32.7178.1-27.10000113.2D30 Q31 T66 H70 G71D30-S68 VanDerWaalsContact CG-OG 3.24Å; D30-S68 PolarHBondContact O-OG 2.8Å; D30-S68 WeakPolarHBondContact OD1-CB 3.43Å; D30-S68 PolarHBondContact OD1-OG 3.34Å; D30-S68 PolarHBondContact OD2-OG 3.43Å; Q31-S68 PolarHBondContact NE2-OG 3.23Å; T66-S68 VanDerWaalsContact C-N 3.33Å; T66-S68 PolarHBondContact O-N 3.35Å; S68-H70 VanDerWaalsContact C-N 3.35Å; S68-H70 PolarHBondContact O-N 3.19Å; S68-G71 PolarHBondContact O-N 2.89Å
69Q84.6Confident86.5Confident141 Ų14164.2 Ų64.266%0.65936%0.358SS*.G310 helixtrans-67.3-33.1178.1-83.6-1789300112.9T66 L67 G71T66-Q69 PolarHBondContact O-N 3.37Å; T66-Q69 WeakPolarHBondContact OG1-CG 3.29Å; T66-Q69 PolarHBondContact OG1-NE2 2.78Å; L67-Q69 VanDerWaalsContact C-N 3.29Å; L67-Q69 PolarHBondContact O-N 2.74Å; Q69-G71 PolarHBondContact O-N 2.82Å
70H80.5Confident86.7Confident40 Ų4057.8 Ų57.819%0.18533%0.33CS..G310 helixtrans-822.8171.7-75.6-79.5000113.1F56 D65 L67 S68 I72F56-H70 VanDerWaalsContact CD1-O 3.3Å; F56-H70 WeakPolarHBondContact CD1-O 3.37Å; F56-H70 WeakPolarHBondContact CE1-O 3.34Å; D65-H70 WeakPolarHBondContact CB-NE2 3.22Å; D65-H70 VanDerWaalsContact CG-NE2 3.29Å; D65-H70 IonicContact OD2-CD2 3.53Å; D65-H70 IonicContact OD2-CE1 3.65Å; D65-H70 IonicContact OD2-NE2 3.3Å; D65-H70 PolarHBondContact OD2-NE2 3.38Å; L67-H70 PolarHBondContact O-N 2.86Å; S68-H70 VanDerWaalsContact C-N 3.35Å; S68-H70 PolarHBondContact O-N 3.19Å; H70-I72 HydrophobicContact CB-CD1 4.18Å; H70-I72 HydrophobicContact CB-CG1 4.36Å
71G82.9Confident86.7Confident32 Ų3255.9 Ų55.933%0.3332%0.323SS..THydrogen-bonded Turntrans77.717.5179.700000114.3L67 S68 Q69 L76L67-G71 PolarHBondContact O-N 2.84Å; S68-G71 PolarHBondContact O-N 2.89Å; Q69-G71 PolarHBondContact O-N 2.82Å; G71-L76 WeakPolarHBondContact O-CD1 3.38Å
72I85.9Confident86.6Confident0 Ų059 Ų590%034%0.339CS..  trans-76.5135.8178.2-60.7165.3000109I13 V15 F56 L61 L67 H70 V78I13-I72 HydrophobicContact CD1-CG2 4.34Å; V15-I72 HydrophobicContact CG1-CG2 3.97Å; V15-I72 HydrophobicContact CG2-CG2 3.71Å; F56-I72 HydrophobicContact CB-CD1 4.25Å; F56-I72 HydrophobicContact CB-CG1 4.4Å; F56-I72 HydrophobicContact CD1-CD1 4.31Å; F56-I72 HydrophobicContact CD1-CG1 3.62Å; F56-I72 HydrophobicContact CD2-CG1 4.28Å; F56-I72 HydrophobicContact CE1-CG1 3.94Å; F56-I72 HydrophobicContact CG-CD1 4.21Å; F56-I72 HydrophobicContact CG-CG1 3.82Å; F56-I72 HydrophobicContact CZ-CG1 4.42Å; L61-I72 HydrophobicContact CD2-CD1 3.55Å; L61-I72 HydrophobicContact CG-CD1 4.38Å; L67-I72 HydrophobicContact CB-CB 4.21Å; L67-I72 HydrophobicContact CB-CG2 4.47Å; L67-I72 HydrophobicContact CD2-CD1 3.92Å; L67-I72 WeakPolarHBondContact O-CB 3.37Å; L67-I72 PolarHBondContact O-N 3.39Å; L67-I72 VanDerWaalsContact O-N 3.09Å; H70-I72 HydrophobicContact CB-CD1 4.18Å; H70-I72 HydrophobicContact CB-CG1 4.36Å; I72-V78 HydrophobicContact CD1-CG2 3.88Å; I72-V78 HydrophobicContact CG1-CG2 4.25Å; I72-V78 HydrophobicContact CG2-CG2 4.41Å
73K84.8Confident86.6Confident139 Ų13958.3 Ų58.360%0.60434%0.336SS*.  trans-146.7170.9-173.6-62.1-173.8179.4-175.90109.7G75 L76K73-G75 PolarHBondContact O-N 3.31Å; K73-L76 HydrophobicContact CB-CD1 3.91Å; K73-L76 HydrophobicContact CB-CG 4.33Å; K73-L76 HydrophobicContact CG-CD1 4.38Å; K73-L76 WeakPolarHBondContact O-CB 3.45Å; K73-L76 PolarHBondContact O-N 3.45Å; K73-L76 VanDerWaalsContact O-N 3.13Å
74D89.4Confident86.3Confident72 Ų7260.9 Ų60.939%0.38536%0.355SS..THydrogen-bonded Turntrans-51.2133.4173.7-165.960.9000111.6I13 R14 L76I13-D74 HydrophobicContact CB-CB 4.2Å; I13-D74 HydrophobicContact CG2-CB 4.11Å; R14-D74 VanDerWaalsContact CB-OD1 3.29Å; R14-D74 WeakPolarHBondContact CB-OD1 3.44Å; R14-D74 IonicContact CZ-OD1 2.7Å; R14-D74 IonicContact CZ-OD2 3.82Å; R14-D74 PolarHBondContact N-OD1 2.75Å; R14-D74 IonicContact NE-OD1 3.55Å; R14-D74 PolarHBondContact NE-OD1 3.2Å; R14-D74 IonicContact NE-OD2 3.63Å; R14-D74 IonicContact NH2-OD1 3.83Å; R14-D74 IonicContact NH2-OD2 2.81Å; R14-D74 PolarHBondContact NH2-OD2 3.43Å; D74-L76 VanDerWaalsContact C-N 3.3Å; D74-L76 PolarHBondContact O-N 2.95Å
75G87.8Confident85.4Confident55 Ų5561.5 Ų61.557%0.56735%0.345SS*.THydrogen-bonded Turntrans81-7.8-178.900000115.9R14 K73R14-G75 PolarHBondContact O-N 3.29Å; K73-G75 PolarHBondContact O-N 3.31Å
76L92Very high83.5Confident63 Ų6368.2 Ų68.233%0.3338%0.375SS..  trans-78.2155.1179.9-63.1-176.5000112.8T16 F56 G71 K73 D74T16-L76 PolarHBondContact N-O 2.87Å; F56-L76 HydrophobicContact CE2-CB 4.2Å; F56-L76 HydrophobicContact CE2-CD1 4.46Å; F56-L76 HydrophobicContact CZ-CB 4.41Å; F56-L76 HydrophobicContact CZ-CD1 3.85Å; G71-L76 WeakPolarHBondContact O-CD1 3.38Å; K73-L76 HydrophobicContact CB-CD1 3.91Å; K73-L76 HydrophobicContact CB-CG 4.33Å; K73-L76 HydrophobicContact CG-CD1 4.38Å; K73-L76 WeakPolarHBondContact O-CB 3.45Å; K73-L76 PolarHBondContact O-N 3.45Å; K73-L76 VanDerWaalsContact O-N 3.13Å; D74-L76 VanDerWaalsContact C-N 3.3Å; D74-L76 PolarHBondContact O-N 2.95Å
77T91.5Very high81.2Confident54 Ų5475 Ų7533%0.33140%0.401SS..EExtended strand (participates in β ladder)trans-112.6122.5-175.8-68.40000111.4T16 K18 F56T16-T77 HydrophobicContact CG2-CG2 3.94Å; T16-T77 WeakPolarHBondContact CG2-OG1 3.43Å; T16-T77 CarbonylContact O-C 3.38Å; T16-T77 WeakPolarHBondContact O-CA 3.4Å; K18-T77 HydrophobicContact CB-CG2 4.43Å; K18-T77 HydrophobicContact CD-CG2 3.62Å; K18-T77 HydrophobicContact CG-CG2 3.89Å; F56-T77 WeakPolarHBondContact CD2-O 3.28Å
78V92.5Very high79.2Confident0 Ų079.2 Ų79.20%044%0.436CS..EExtended strand (participates in β ladder)trans-106138.3174.1-177.30000108.8V15 T16 V17 K18 F37 L54 F56 I72V15-V78 HydrophobicContact CG1-CB 4.33Å; V15-V78 HydrophobicContact CG1-CG2 3.59Å; T16-V78 PolarHBondContact O-N 3.46Å; V17-V78 WeakPolarHBondContact CA-O 3.2Å; K18-V78 PolarHBondContact N-O 3.41Å; F37-V78 HydrophobicContact CE1-CG2 4.43Å; L54-V78 HydrophobicContact CB-CG1 4.1Å; L54-V78 HydrophobicContact CD2-CG1 3.63Å; L54-V78 HydrophobicContact CG-CG1 4.46Å; F56-V78 HydrophobicContact CB-CG1 4.42Å; F56-V78 HydrophobicContact CB-CG2 4.31Å; F56-V78 HydrophobicContact CD2-CG2 3.97Å; F56-V78 HydrophobicContact CG-CG2 4.37Å; I72-V78 HydrophobicContact CD1-CG2 3.88Å; I72-V78 HydrophobicContact CG1-CG2 4.25Å; I72-V78 HydrophobicContact CG2-CG2 4.41Å
79H92.3Very high77.1Confident91 Ų9186.1 Ų86.142%0.42146%0.464SS..EExtended strand (participates in β ladder)trans-91.4137.9174.2-7086.9000110.4K18 I55K18-H79 CarbonylContact O-C 3.41Å; K18-H79 WeakPolarHBondContact O-CA 3.26Å; I55-H79 HydrophobicContact CB-CB 4.38Å; I55-H79 PolarHBondContact N-O 3.33Å; I55-H79 PolarHBondContact O-N 3Å
80L91.1Very high75Confident2 Ų285 Ų851%0.0146%0.462CS..EExtended strand (participates in β ladder)trans-116.6124.3180171.263.3000110.2V17 K18 T19 I41 F45 L52 L54 I82V17-L80 HydrophobicContact CG1-CB 3.64Å; V17-L80 HydrophobicContact CG1-CD2 3.9Å; V17-L80 HydrophobicContact CG1-CG 4.42Å; K18-L80 PolarHBondContact O-N 3.5Å; T19-L80 HydrophobicContact CG2-CB 3.9Å; T19-L80 HydrophobicContact CG2-CD2 3.66Å; T19-L80 HydrophobicContact CG2-CG 3.86Å; I41-L80 HydrophobicContact CG2-CD1 4.4Å; I41-L80 HydrophobicContact CG2-CD2 3.43Å; I41-L80 VanDerWaalsContact CG2-CD2 3.43Å; F45-L80 HydrophobicContact CD1-CD2 4.36Å; F45-L80 HydrophobicContact CD2-CD2 3.89Å; F45-L80 HydrophobicContact CE2-CD2 4.12Å; F45-L80 HydrophobicContact CG-CD2 4.01Å; F45-L80 HydrophobicContact CZ-CD2 4.46Å; L52-L80 HydrophobicContact CB-CD1 3.9Å; L52-L80 HydrophobicContact CD2-CD1 3.84Å; L52-L80 HydrophobicContact CD2-CD2 4.19Å; L52-L80 HydrophobicContact CG-CD1 4.41Å; L54-L80 HydrophobicContact CD2-CB 4.24Å; L54-L80 HydrophobicContact CD2-CD1 4.09Å; L54-L80 HydrophobicContact CG-CD1 4.42Å; L80-I82 HydrophobicContact CD2-CG1 4.45Å; L80-I82 HydrophobicContact CG-CG1 4.28Å
81V90.5Very high73.2Confident67 Ų6789.5 Ų89.541%0.40650%0.495SS..EExtended strand (participates in β ladder)trans-110.4123.9170.3-179.40000108.1V53 I55V53-V81 HydrophobicContact CB-CB 4.38Å; V53-V81 PolarHBondContact N-O 3.13Å; V53-V81 PolarHBondContact O-N 3.42Å; I55-V81 HydrophobicContact CD1-CG2 3.85Å
82I87Confident71.3Confident72 Ų7293.7 Ų93.737%0.36951%0.514SS..EExtended strand (participates in β ladder)trans-95110.6175.3-53.4176.4000107.6A47 Q51 L52 L80A47-I82 HydrophobicContact CB-CD1 4.11Å; A47-I82 HydrophobicContact CB-CG2 3.88Å; Q51-I82 HydrophobicContact CB-CG2 4.18Å; Q51-I82 WeakPolarHBondContact O-CA 3.44Å; L52-I82 HydrophobicContact CD2-CG1 4.24Å; L80-I82 HydrophobicContact CD2-CG1 4.45Å; L80-I82 HydrophobicContact CG-CG1 4.28Å
83K85.5Confident69.1Low131 Ų131100.1 Ų100.157%0.5755%0.554SS**  trans-73.3125.6171.3-75.2176.5167.6173.30109.1Q51 V53Q51-K83 VanDerWaalsContact CB-O 3.23Å; Q51-K83 WeakPolarHBondContact CB-O 3.46Å; Q51-K83 VanDerWaalsContact CG-O 3.29Å; Q51-K83 WeakPolarHBondContact CG-O 3.29Å; Q51-K83 PolarHBondContact O-N 3.4Å; Q51-K83 PolarHBondContact OE1-O 2.97Å; V53-K83 HydrophobicContact CG2-CD 3.71Å; V53-K83 HydrophobicContact CG2-CG 4Å
84T75.7Confident67.2Low124 Ų12498 Ų9876%0.76156%0.562SS**  trans-61.7141.2166.5420000109.6Q86T84-Q86 PolarHBondContact O-N 3.12Å
85P62.6Low64.9Low91 Ų9199.7 Ų99.759%0.59159%0.586SS**  trans-71.398.417729.3-32.1000108.1K87P85-K87 PolarHBondContact O-N 3.35Å
86Q43.6Very low62.9Low185 Ų185102 Ų10286%0.86460%0.599SS**  trans-60.3110.6171.5-176.5171.1-600107.1T84 A88T84-Q86 PolarHBondContact O-N 3.12Å; Q86-A88 PolarHBondContact O-N 2.85Å
87K37.9Very low60.7Low178 Ų178104.4 Ų104.477%0.77462%0.622SS**  trans-52.1105.6-173175.2-174.5-85.6-1600109.3P85 Q89P85-K87 PolarHBondContact O-N 3.35Å; K87-Q89 PolarHBondContact O-N 3.08Å
88A42.5Very low58.8Low87 Ų87107.7 Ų107.772%0.71964%0.644SS**PPolyproline II helixtrans-59.3120.4164.600000106.8Q86 D90Q86-A88 PolarHBondContact O-N 2.85Å; A88-D90 PolarHBondContact O-N 2.74Å
89Q38.1Very low56.5Low184 Ų184113.5 Ų113.586%0.8668%0.681SS**PPolyproline II helixtrans-67.7124.1171.4-71.6175.9-82.700107.6K87K87-Q89 PolarHBondContact O-N 3.08Å
90D40.8Very low53.8Low117 Ų117114 Ų11463%0.62670%0.695SS**PPolyproline II helixtrans-51.8140.5177.5-56.2-104.2000111.1A88 V92A88-D90 PolarHBondContact O-N 2.74Å; D90-V92 HydrophobicContact CB-CG1 4.04Å; D90-V92 PolarHBondContact O-N 3.46Å
91P43.6Very low51.8Low135 Ų135120.3 Ų120.388%0.87773%0.734SS**  trans-71.869.3165.131.9-34.3000109.7T93P91-T93 PolarHBondContact O-N 3.17Å; P91-T93 VanDerWaalsContact O-N 3.16Å
92V42Very low49.6Very low121 Ų121122.8 Ų122.873%0.73375%0.751SS**  trans-70.9104.5173.9-82.10000110.3D90D90-V92 HydrophobicContact CB-CG1 4.04Å; D90-V92 PolarHBondContact O-N 3.46Å
93T39.8Very low47.2Very low135 Ų135127 Ų12783%0.82878%0.775SS**  trans170.8154.7130.2-71.20000110.4P91P91-T93 PolarHBondContact O-N 3.17Å; P91-T93 VanDerWaalsContact O-N 3.16Å
94A44.2Very low45Very low95 Ų95125.7 Ų125.779%0.78578%0.782SS**  trans72.984.9168.600000117.9
95A42.9Very low43.5Very low107 Ų107124 Ų12488%0.88478%0.781SS**  trans-33.6134.316000000118
96A44Very low42.5Very low102 Ų102125.1 Ų125.184%0.84379%0.791SS**  trans-156.9134.9139.700000111.3
97S47.2Very low42.7Very low115 Ų115121 Ų12180%0.80479%0.788SS**  trans-89.7-179.5168.8-36.70000109.8
98P50.7Low43.1Very low123 Ų123118.1 Ų118.180%0.79979%0.788SS**  cis-130.9-131.1335.2-9.2000112.6
99P44.7Very low43.1Very low121 Ų121118.6 Ų118.679%0.78679%0.786SS**  -126.6-177.4-123.139.4-17.9000115.8
100S36.3Very low43.2Very low101 Ų101116.1 Ų116.171%0.70678%0.783SS**  trans-83.4158176.4-50.80000114
101T48.4Very low43.4Very low135 Ų135116.8 Ų116.883%0.82879%0.792SS**  trans78.5160.1162.582.20000116.2
102P44Very low43.5Very low119 Ų119116.2 Ų116.277%0.77379%0.789SS**  -141157.8-85.236.5-17.3000115.7
103D36Very low43.5Very low160 Ų160115.5 Ų115.586%0.85680%0.795SS**  trans-155167.2148.4-156.8-168.3000112.8
104S39.6Very low43.8Very low105 Ų105114.6 Ų114.673%0.73480%0.795SS**  trans-91.9141.7177.4-56.60000112.3
105A43.8Very low44.2Very low89 Ų89115.7 Ų115.774%0.73679%0.794SS**  165156.9124.900000113.4
106S42.2Very low44.2Very low113 Ų113115.3 Ų115.379%0.7979%0.79SS**  trans55.497.3147.9-60.80000120.3
107A48.1Very low44.1Very low98 Ų98114.6 Ų114.681%0.8179%0.785SS**  54.8148.4109.600000121.6
108P47.1Very low44.2Very low118 Ų118113.4 Ų113.477%0.76678%0.782SS**  trans-103172.4-162.340.9-36.9000115
109S40.9Very low44.1Very low98 Ų98113.1 Ų113.169%0.68578%0.78SS**  154.7150.7127.2-700000114.4
110T41.7Very low44.1Very low131 Ų131113.4 Ų113.480%0.80478%0.779SS**  trans62.3152.9157.355.70000119
111T44.5Very low44.6Very low131 Ų131117 Ų11780%0.80479%0.785SS**  cis-160.1167.6-1818.10000109.2
112P46.1Very low44.2Very low124 Ų124116.1 Ų116.181%0.80578%0.781SS**  trans-104.8162.4-164.739.5-36.3000117.4
113A41.6Very low43.4Very low106 Ų106115.8 Ų115.888%0.87678%0.78SS**  trans-159.9142.215700000115.6
114S46.4Very low43.3Very low116 Ų116113.2 Ų113.281%0.81178%0.775SS**  trans-62.1-173.9174.9-65.60000118.4
115P52.5Low43.1Very low118 Ų118114.1 Ų114.177%0.76678%0.781SS**  cis-142.5-173.1-31.333.7-12.8000116.4
116A42.6Very low42.6Very low98 Ų98113.2 Ų113.281%0.8178%0.78SS**  trans73.4150.6153.500000118.8
117A41.4Very low42.3Very low88 Ų88114.8 Ų114.873%0.72778%0.78SS**  cis-148.3139.8-8.300000107.8
118A49.8Very low41.5Very low90 Ų90115.2 Ų115.274%0.74477%0.773SS**  67157.471.600000114.6
119P49Very low40.9Very low117 Ų117115.8 Ų115.876%0.7677%0.774SS**  cis-89.9-150.1-14.439.9-34.6000110.4
120V45Very low40.8Very low126 Ų126116.7 Ų116.776%0.76478%0.78SS**  cis-1501671.6-106.40000106.6
121Q46.6Very low40.4Very low178 Ų178117.7 Ų117.783%0.83278%0.781SS**  cis-135.8-149.1-0.9-137.6-169.3-7.600109.5
122P39.2Very low40.1Very low115 Ų115115.6 Ų115.675%0.74778%0.777SS**  trans-119.9169.8-145.743.7-27.3000118.2
123C27.1Very low39.7Very low113 Ų113113 Ų11376%0.76477%0.772SS**  trans-144.3164.3171560000111
124S34.5Very low39.5Very low106 Ų106114 Ų11474%0.74177%0.773SS**  trans74.6151.3152.7-52.80000122
125S35.8Very low39.2Very low123 Ų123112.2 Ų112.286%0.8677%0.773SS**  trans80.4120.4146.4-59.80000122.5
126G33.7Very low38.5Very low70 Ų70110.6 Ų110.672%0.72278%0.778SS**  116.9137.3106.100000119.2
127N34.8Very low38.3Very low147 Ų147109.4 Ų109.479%0.78678%0.775SS**  trans58.3110.2155.8-79.146.8000119.1
128T31.6Very low38.5Very low106 Ų106111 Ų11165%0.6578%0.778SS**  90141.269.460.70000115.3
129T33.3Very low38.1Very low130 Ų130111.9 Ų111.980%0.79878%0.778SS**  trans73.1136.3164.350.30000120.5
130S40.7Very low37.8Very low117 Ų117112.4 Ų112.482%0.81878%0.782SS**  trans75.7146.7159.7-52.70000119.1
131D32.4Very low37.7Very low152 Ų152113.5 Ų113.581%0.81379%0.788SS**  cis-165.1161.2-26.9-173.530.9000110.1
132A37.4Very low37.2Very low88 Ų88108.9 Ų108.973%0.72778%0.781SS**  trans60.2138.3158.600000121.7
133G37.6Very low36.9Very low68 Ų68108.2 Ų108.270%0.70179%0.785SS**  trans120.960.3171.900000113.9
134S38.4Very low37.4Very low128 Ų128112.7 Ų112.790%0.89580%0.795SS**  48.911570.7-61.20000113.4
135G39Very low37.6Very low79 Ų79110.7 Ų110.781%0.81479%0.791SS**  cis166179.5-4.300000111.7
136G38.5Very low37.9Very low83 Ų83111.4 Ų111.486%0.85679%0.793SS**  trans115.5102.5165.800000117.2
137G38.3Very low38.3Very low73 Ų73114.2 Ų114.275%0.75380%0.801SS**  trans-108-152.413700000108
138P45.2Very low38.3Very low121 Ų121112.8 Ų112.879%0.78680%0.803SS**  cis-126.9-167.3-16.641.4-26.5000111.1
139S41.8Very low39Very low109 Ų109111.9 Ų111.976%0.76281%0.806SS**  trans141.3147.5138.9-63.20000114.2
140P43.6Very low39.1Very low128 Ų128112 Ų11283%0.83181%0.807SS**  trans-99.2140.1170.236.9-31.1000113.3
141V41.2Very low39.1Very low149 Ų149110.8 Ų110.890%0.90380%0.804SS**  trans-166.9152.2168110.30000106
142A36.6Very low39.5Very low82 Ų82108.6 Ų108.668%0.67880%0.8SS**  cis178.6140.8-30.600000104.8
143A33.6Very low40Very low100 Ų100111.6 Ų111.683%0.82680%0.803SS**  trans38.4104.1156.300000121.5
144E37.8Very low40.1Very low208 Ų208116 Ų11697%0.97281%0.809SS**  trans-165.9138.6137.6-106.4-178.2144.100107.5
145G37.4Very low40.7Very low64 Ų64115.7 Ų115.766%0.6681%0.807SS**  cis-170.8138.6-14.100000109
146P42.8Very low41Very low138 Ų138115.3 Ų115.390%0.89680%0.803SS**  trans-82.6144.8-172.932.6-34.9000113
147S42Very low41Very low129 Ų129121.7 Ų121.790%0.90281%0.807SS**  trans-128.3115.4173.7-73.40000111.4
148S35.3Very low41.2Very low117 Ų117121.6 Ų121.682%0.81881%0.806SS**  trans-112.3129.2178.6177.30000110.8
149A45Very low41.4Very low87 Ų87119.4 Ų119.472%0.71981%0.806SS**  trans-164.2105.2158.200000108.7
150T36.4Very low41.4Very low132 Ų132122 Ų12281%0.8181%0.809SS**  57.484.97964.80000116.7
151A40.7Very low41.5Very low92 Ų92124.4 Ų124.476%0.7681%0.814SS**  trans-151.5124.6137.600000107.1
152S40.5Very low42.1Very low105 Ų105121.2 Ų121.273%0.73481%0.812SS**  78.3136.751.8-62.50000113
153I47.9Very low42.7Very low152 Ų152126.1 Ų126.178%0.77983%0.826SS**  cis-160.3151-6.7-118.5164000109.7
154L40.1Very low43.3Very low160 Ų160124.5 Ų124.584%0.83882%0.818SS**  trans27.1116.9155.8-170.961000121.3
155S50.8Low43.9Very low122 Ų122120 Ų12085%0.85381%0.81SS**  trans-162.3163.4156.5-79.40000110
156G44.9Very low44.4Very low70 Ų70125 Ų12572%0.72282%0.821SS**  cis-155.5-39.5-0.200000114.7
157F39.7Very low44.6Very low217 Ų217122.2 Ų122.295%0.95282%0.817SS**  trans65.3117.2163.6-172.2-86.8000119.4
158G42.6Very low44.9Very low71 Ų71125 Ų12573%0.73282%0.821SS**  trans148.7138.8154.600000119.2
159G48.4Very low45.3Very low75 Ų75123.1 Ų123.177%0.77382%0.82SS**  trans78.9126.8165.500000116.5
160I42.4Very low45Very low163 Ų163125 Ų12584%0.83683%0.828SS**  cis75.989.37.9-50.9179.5000117.1
161L45.4Very low45.7Very low179 Ų179122.3 Ų122.394%0.93782%0.819SS**  trans165.7139.5133.2-93.9160.1000110.9
162G53.2Low46Very low83 Ų83124.2 Ų124.286%0.85682%0.816SS**  trans161.657.1178.200000116.9
163L48.8Very low46.5Very low185 Ų185126.9 Ų126.997%0.96982%0.815SS**  trans-97.2122.9179175.968.9000111.8
164G48.1Very low46.8Very low65 Ų65125.2 Ų125.267%0.6781%0.805SS**  trans143.8156.6164.200000116.2
165S50.1Low48.1Very low113 Ų113124 Ų12479%0.7980%0.795SS**  trans58.793.6-179.3-84.80000116.3
166L46.6Very low48.8Very low170 Ų170123.1 Ų123.189%0.8978%0.78SS**  71.4110.566.2-60.3167.2000114.3
167G46.9Very low49.5Very low80 Ų80124.4 Ų124.483%0.82577%0.768SS**  trans-179.4119.817100000110.3
168L48.2Very low50.8Low188 Ų188118.5 Ų118.598%0.98474%0.743SS**  trans-133.1128.9-164.6179114.5000110.7
169G45.3Very low52.2Low76 Ų76120.8 Ų120.878%0.78473%0.734SS**  trans171.2115.4174.100000117.5
170S38.2Very low52.8Low128 Ų128123.3 Ų123.390%0.89573%0.728SS**  trans-40.9144.4169-177.40000118
171A50.4Low53.7Low74 Ų74119.5 Ų119.561%0.61271%0.707SS**  trans-175.8-52.9145.800000114.8F173A171-F173 PolarHBondContact O-N 3.49Å; A171-F173 VanDerWaalsContact O-N 3.17Å
172N47.6Very low54.7Low132 Ų132120.1 Ų120.171%0.70670%0.696SS**THydrogen-bonded Turntrans-75.2-9.7-144.2-71-77000119.3L176N172-L176 PolarHBondContact O-N 3.46Å
173F51.6Low55Low161 Ų161119.9 Ų119.971%0.70667%0.673SS**Hα-helixtrans-71.9-34.9-173-173-107.7000113.6A171 Q177A171-F173 PolarHBondContact O-N 3.49Å; A171-F173 VanDerWaalsContact O-N 3.17Å; F173-Q177 PolarHBondContact O-N 2.85Å
174M52.7Low55.5Low117 Ų117114 Ų11458%0.57664%0.642SS**Hα-helixtrans-70.7-36.6-177.9-153.675.5-163.400112.4Q177 Q178M174-Q177 PolarHBondContact O-N 2.84Å; M174-Q178 PolarHBondContact O-N 3.48Å
175E67.6Low56Low134 Ų134118.7 Ų118.763%0.62665%0.649SS**Hα-helixtrans-62.3-46.6177.3-160.689.295.700110.7Q177 Q178 Q179E175-Q177 VanDerWaalsContact C-N 3.3Å; E175-Q177 PolarHBondContact O-N 2.86Å; E175-Q178 PolarHBondContact O-N 2.97Å; E175-Q179 WeakPolarHBondContact O-CB 3.39Å; E175-Q179 PolarHBondContact O-N 3.25Å
176L66.2Low57.3Low105 Ų105116.6 Ų116.655%0.5563%0.634SS.*Hα-helixtrans-59.6-39.2178.5-176.665.8000112.1N172 Q179 M180N172-L176 PolarHBondContact O-N 3.46Å; L176-Q179 PolarHBondContact O-N 3.3Å; L176-M180 WeakPolarHBondContact O-CB 3.14Å; L176-M180 PolarHBondContact O-N 3.04Å
177Q59.9Low58.4Low97 Ų97111.2 Ų111.245%0.45361%0.606SS.*Hα-helixtrans-66.8-41178.4-167.3177.644.300112F173 M174 E175 M180 Q181F173-Q177 PolarHBondContact O-N 2.85Å; M174-Q177 PolarHBondContact O-N 2.84Å; E175-Q177 VanDerWaalsContact C-N 3.3Å; E175-Q177 PolarHBondContact O-N 2.86Å; Q177-M180 PolarHBondContact O-N 3.25Å; Q177-Q181 PolarHBondContact O-N 2.87Å
178Q67.3Low59.4Low92 Ų92112.2 Ų112.243%0.4360%0.598SS.*Hα-helixtrans-70.7-38.5174.6-68.5-167.138.800112.3M174 E175 M180 Q181 R182M174-Q178 PolarHBondContact O-N 3.48Å; E175-Q178 PolarHBondContact O-N 2.97Å; Q178-M180 VanDerWaalsContact C-N 3.3Å; Q178-M180 PolarHBondContact O-N 3.23Å; Q178-Q181 PolarHBondContact O-N 2.79Å; Q178-R182 WeakPolarHBondContact O-CB 3.24Å; Q178-R182 VanDerWaalsContact O-CG 3.3Å; Q178-R182 WeakPolarHBondContact O-CG 3.27Å; Q178-R182 PolarHBondContact O-N 3.36Å
179Q70.9Confident60.9Low119 Ų119110.9 Ų110.956%0.55659%0.587SS**Hα-helixtrans-60.2-41.8173.4-173.3178.20.100111E175 L176 R182 Q183E175-Q179 WeakPolarHBondContact O-CB 3.39Å; E175-Q179 PolarHBondContact O-N 3.25Å; L176-Q179 PolarHBondContact O-N 3.3Å; Q179-R182 PolarHBondContact O-N 2.73Å; Q179-Q183 WeakPolarHBondContact O-CB 3.34Å; Q179-Q183 PolarHBondContact O-N 3.42Å
180M62.4Low62.1Low128 Ų128110.8 Ų110.863%0.63157%0.567SS**Hα-helixtrans-65-46.9175.9-173.6176177.600112.3L176 Q177 Q178 R182 Q183 L184L176-M180 WeakPolarHBondContact O-CB 3.14Å; L176-M180 PolarHBondContact O-N 3.04Å; Q177-M180 PolarHBondContact O-N 3.25Å; Q178-M180 VanDerWaalsContact C-N 3.3Å; Q178-M180 PolarHBondContact O-N 3.23Å; M180-R182 VanDerWaalsContact C-N 3.34Å; M180-R182 PolarHBondContact O-N 3.49Å; M180-Q183 PolarHBondContact O-N 2.81Å; M180-L184 VanDerWaalsContact O-CB 3.32Å; M180-L184 WeakPolarHBondContact O-CB 3.16Å; M180-L184 PolarHBondContact O-N 3.13Å
181Q60Low63.5Low84 Ų84108.2 Ų108.239%0.39354%0.543SS..Hα-helixtrans-62.3-39.6176.5-75.4-166-16.600112.3Q177 Q178 L184 M185Q177-Q181 PolarHBondContact O-N 2.87Å; Q178-Q181 PolarHBondContact O-N 2.79Å; Q181-L184 PolarHBondContact O-N 2.84Å; Q181-M185 WeakPolarHBondContact O-CG 3.27Å; Q181-M185 PolarHBondContact O-N 2.92Å
182R65.8Low64.5Low191 Ų191106.8 Ų106.872%0.72153%0.528SS*.Hα-helixtrans-65.9-42.7175.9-70.7174.469.595.91.2112.3Q178 Q179 M180 M185 S186Q178-R182 WeakPolarHBondContact O-CB 3.24Å; Q178-R182 VanDerWaalsContact O-CG 3.3Å; Q178-R182 WeakPolarHBondContact O-CG 3.27Å; Q178-R182 PolarHBondContact O-N 3.36Å; Q179-R182 PolarHBondContact O-N 2.73Å; M180-R182 VanDerWaalsContact C-N 3.34Å; M180-R182 PolarHBondContact O-N 3.49Å; R182-M185 PolarHBondContact O-N 2.78Å; R182-S186 WeakPolarHBondContact O-CB 3.41Å; R182-S186 PolarHBondContact O-N 3.12Å; R182-S186 PolarHBondContact O-OG 3.27Å
183Q61.3Low65.5Low78 Ų78106.7 Ų106.736%0.36452%0.524SS..Hα-helixtrans-63.3-41.4177.2-167.880.6-106.800112Q179 M180 M185 S186 N187 M190Q179-Q183 WeakPolarHBondContact O-CB 3.34Å; Q179-Q183 PolarHBondContact O-N 3.42Å; M180-Q183 PolarHBondContact O-N 2.81Å; Q183-M185 VanDerWaalsContact C-N 3.25Å; Q183-M185 PolarHBondContact O-N 3.43Å; Q183-S186 WeakPolarHBondContact CA-OG 3.06Å; Q183-S186 PolarHBondContact O-N 2.82Å; Q183-S186 PolarHBondContact O-OG 3.1Å; Q183-N187 PolarHBondContact O-N 2.95Å; Q183-N187 PolarHBondContact OE1-ND2 3.02Å; Q183-M190 HydrophobicContact CG-CE 4.12Å; Q183-M190 HydrophobicContact CG-SD 4.02Å
184L59.2Low66.2Low62 Ų62101.8 Ų101.833%0.32550%0.504SS..Hα-helixtrans-72.6-19.6-178.2-157.7142.9000112.4M180 Q181 L191 I194M180-L184 VanDerWaalsContact O-CB 3.32Å; M180-L184 WeakPolarHBondContact O-CB 3.16Å; M180-L184 PolarHBondContact O-N 3.13Å; Q181-L184 PolarHBondContact O-N 2.84Å; L184-L191 HydrophobicContact CD2-CD1 3.69Å; L184-L191 HydrophobicContact CG-CD1 4.4Å; L184-I194 HydrophobicContact CD1-CD1 3.9Å; L184-I194 HydrophobicContact CG-CD1 4.45Å
185M58.6Low66.7Low164 Ų16498.9 Ų98.981%0.80849%0.49SS*.Hα-helixtrans-91.9-21.5169.1-67.8-178.2-179.900114Q181 R182 Q183Q181-M185 WeakPolarHBondContact O-CG 3.27Å; Q181-M185 PolarHBondContact O-N 2.92Å; R182-M185 PolarHBondContact O-N 2.78Å; Q183-M185 VanDerWaalsContact C-N 3.25Å; Q183-M185 PolarHBondContact O-N 3.43Å
186S77.7Confident67.2Low69 Ų6998.3 Ų98.348%0.48349%0.487SS..Hα-helixtrans-89.1-26.3-179.867.30000114.2R182 Q183 P188R182-S186 WeakPolarHBondContact O-CB 3.41Å; R182-S186 PolarHBondContact O-N 3.12Å; R182-S186 PolarHBondContact O-OG 3.27Å; Q183-S186 WeakPolarHBondContact CA-OG 3.06Å; Q183-S186 PolarHBondContact O-N 2.82Å; Q183-S186 PolarHBondContact O-OG 3.1Å; S186-P188 WeakPolarHBondContact O-CD 3.38Å
187N68.5Low67.5Low56 Ų5696.8 Ų96.830%0.29948%0.48SS..  trans-108.693-174.5-66.4-4000111.2Q183 E189 M190 L191Q183-N187 PolarHBondContact O-N 2.95Å; Q183-N187 PolarHBondContact OE1-ND2 3.02Å; N187-E189 PolarHBondContact O-N 3.15Å; N187-M190 HydrophobicContact CB-CB 3.54Å; N187-M190 WeakPolarHBondContact O-CB 3.11Å; N187-M190 PolarHBondContact O-N 3.45Å; N187-L191 PolarHBondContact O-N 2.85Å; N187-L191 VanDerWaalsContact O-N 3.08Å
188P68Low68.2Low102 Ų10296.8 Ų96.866%0.66249%0.488SS*.Hα-helixtrans-59.8-33172.924.5-33.6000112.2S186 M190 L191 S192S186-P188 WeakPolarHBondContact O-CD 3.38Å; P188-M190 VanDerWaalsContact C-N 3.31Å; P188-M190 PolarHBondContact O-N 2.92Å; P188-L191 WeakPolarHBondContact O-CB 3.39Å; P188-L191 PolarHBondContact O-N 3.44Å; P188-L191 VanDerWaalsContact O-N 3.12Å; P188-S192 PolarHBondContact O-N 3.07Å; P188-S192 PolarHBondContact O-OG 3.05Å
189E80.8Confident68.6Low159 Ų15997.1 Ų97.174%0.74349%0.492SS*.Hα-helixtrans-61.2-33.9171.3-70.5-91.9100.500113.1N187 S192 Q193N187-E189 PolarHBondContact O-N 3.15Å; E189-S192 WeakPolarHBondContact CA-OG 3.25Å; E189-S192 PolarHBondContact O-OG 2.95Å; E189-Q193 WeakPolarHBondContact O-CB 3.09Å; E189-Q193 PolarHBondContact O-N 2.78Å
190M70.7Confident68.7Low75 Ų7592.3 Ų92.337%0.36947%0.471SS..Hα-helixtrans-74.4-35.2173.9-176.3174.4-80.800110.3Q183 N187 P188 I194Q183-M190 HydrophobicContact CG-CE 4.12Å; Q183-M190 HydrophobicContact CG-SD 4.02Å; N187-M190 HydrophobicContact CB-CB 3.54Å; N187-M190 WeakPolarHBondContact O-CB 3.11Å; N187-M190 PolarHBondContact O-N 3.45Å; P188-M190 VanDerWaalsContact C-N 3.31Å; P188-M190 PolarHBondContact O-N 2.92Å; M190-I194 HydrophobicContact CG-CD1 3.83Å; M190-I194 HydrophobicContact CG-CG1 4.48Å; M190-I194 VanDerWaalsContact O-CB 3.25Å; M190-I194 WeakPolarHBondContact O-CB 3.46Å; M190-I194 WeakPolarHBondContact O-CD1 3.49Å; M190-I194 WeakPolarHBondContact O-CG1 3.21Å; M190-I194 PolarHBondContact O-N 3.44Å
191L66.8Low68.9Low73 Ų7390 Ų9038%0.38246%0.459SS..Hα-helixtrans-69.5-39177.6-159.775.1000112.1L184 N187 P188 I194 M195L184-L191 HydrophobicContact CD2-CD1 3.69Å; L184-L191 HydrophobicContact CG-CD1 4.4Å; N187-L191 PolarHBondContact O-N 2.85Å; N187-L191 VanDerWaalsContact O-N 3.08Å; P188-L191 WeakPolarHBondContact O-CB 3.39Å; P188-L191 PolarHBondContact O-N 3.44Å; P188-L191 VanDerWaalsContact O-N 3.12Å; L191-I194 PolarHBondContact O-N 2.87Å; L191-M195 PolarHBondContact O-N 3.32Å
192S71.1Confident69.4Low45 Ų4588 Ų8832%0.31545%0.451SS..Hα-helixtrans-64.9-51.3171.560.20000110.7P188 E189 I194 M195 E196P188-S192 PolarHBondContact O-N 3.07Å; P188-S192 PolarHBondContact O-OG 3.05Å; E189-S192 WeakPolarHBondContact CA-OG 3.25Å; E189-S192 PolarHBondContact O-OG 2.95Å; S192-I194 PolarHBondContact O-N 2.89Å; S192-M195 CarbonylContact O-C 3.57Å; S192-M195 WeakPolarHBondContact O-CA 3.14Å; S192-M195 PolarHBondContact O-N 2.85Å; S192-E196 WeakPolarHBondContact O-CB 3.32Å; S192-E196 VanDerWaalsContact O-CG 3.29Å; S192-E196 WeakPolarHBondContact O-CG 3.43Å; S192-E196 PolarHBondContact O-N 2.95Å
193Q68.9Low69.5Low129 Ų12980.6 Ų80.660%0.60343%0.425SS*.Hα-helixtrans-58-27.6178-17166.390.300113.1E189E189-Q193 WeakPolarHBondContact O-CB 3.09Å; E189-Q193 PolarHBondContact O-N 2.78Å
194I67.1Low69.6Low58 Ų5878.6 Ų78.630%0.29742%0.416SS..Hα-helixtrans-77.8-44.9171.3-74.4171.1000111.6L184 M190 L191 S192 E196 N197 V200L184-I194 HydrophobicContact CD1-CD1 3.9Å; L184-I194 HydrophobicContact CG-CD1 4.45Å; M190-I194 HydrophobicContact CG-CD1 3.83Å; M190-I194 HydrophobicContact CG-CG1 4.48Å; M190-I194 VanDerWaalsContact O-CB 3.25Å; M190-I194 WeakPolarHBondContact O-CB 3.46Å; M190-I194 WeakPolarHBondContact O-CD1 3.49Å; M190-I194 WeakPolarHBondContact O-CG1 3.21Å; M190-I194 PolarHBondContact O-N 3.44Å; L191-I194 PolarHBondContact O-N 2.87Å; S192-I194 PolarHBondContact O-N 2.89Å; I194-E196 VanDerWaalsContact C-N 3.32Å; I194-E196 PolarHBondContact O-N 3.1Å; I194-N197 WeakPolarHBondContact O-CB 3.45Å; I194-N197 PolarHBondContact O-N 3.17Å; I194-V200 HydrophobicContact CG2-CG1 4.34Å; I194-V200 HydrophobicContact CG2-CG2 4Å; I194-V200 WeakPolarHBondContact O-CB 3.33Å; I194-V200 WeakPolarHBondContact O-CG1 3.49Å; I194-V200 WeakPolarHBondContact O-CG2 3.12Å
195M62.9Low70.4Confident56 Ų5679.1 Ų79.128%0.27643%0.425SS..Hα-helixtrans-66.5-29.1175.2-81.2-173.6165.100114.2L191 S192 N197 Q201 M204 A247L191-M195 PolarHBondContact O-N 3.32Å; S192-M195 CarbonylContact O-C 3.57Å; S192-M195 WeakPolarHBondContact O-CA 3.14Å; S192-M195 PolarHBondContact O-N 2.85Å; M195-N197 VanDerWaalsContact C-N 3.27Å; M195-Q201 PolarHBondContact O-NE2 2.95Å; M195-Q201 VanDerWaalsContact O-NE2 3.15Å; M195-M204 HydrophobicContact CE-CE 3.73Å; M195-M204 HydrophobicContact CE-SD 4.29Å; M195-M204 HydrophobicContact CG-CE 3.91Å; M195-M204 HydrophobicContact CG-SD 4.12Å; M195-A247 HydrophobicContact CE-CB 4Å; M195-A247 HydrophobicContact SD-CB 4.4Å
196E76.4Confident71.3Confident122 Ų12273.8 Ų73.857%0.5740%0.399SS*.THydrogen-bonded Turntrans-79.3-10174.9-67.9172.999.400112.4S192 I194S192-E196 WeakPolarHBondContact O-CB 3.32Å; S192-E196 VanDerWaalsContact O-CG 3.29Å; S192-E196 WeakPolarHBondContact O-CG 3.43Å; S192-E196 PolarHBondContact O-N 2.95Å; I194-E196 VanDerWaalsContact C-N 3.32Å; I194-E196 PolarHBondContact O-N 3.1Å
197N74.3Confident70.9Confident73 Ų7372 Ų7239%0.3939%0.387SS..SBendtrans-72.3127.3177.7-163.4-60.1000110.2I194 M195 L199 V200 Q201I194-N197 WeakPolarHBondContact O-CB 3.45Å; I194-N197 PolarHBondContact O-N 3.17Å; M195-N197 VanDerWaalsContact C-N 3.27Å; N197-L199 PolarHBondContact O-N 3.4Å; N197-L199 VanDerWaalsContact O-N 3.1Å; N197-L199 WeakPolarHBondContact OD1-CB 3.15Å; N197-L199 PolarHBondContact OD1-N 2.79Å; N197-V200 HydrophobicContact CB-CB 4.37Å; N197-V200 HydrophobicContact CB-CG2 4.23Å; N197-V200 PolarHBondContact O-N 2.78Å; N197-Q201 WeakPolarHBondContact O-CB 3.36Å; N197-Q201 PolarHBondContact O-N 3.06Å
198P73.7Confident71.5Confident98 Ų9874.1 Ų74.164%0.63640%0.398SS*.Hα-helixtrans-59.9-27.9-175.823.1-34.2000113.4D202P198-D202 WeakPolarHBondContact O-CB 3.3Å; P198-D202 PolarHBondContact O-N 3.17Å
199L76.3Confident72Confident98 Ų9870 Ų7051%0.51337%0.37SS..Hα-helixtrans-62.7-43.7173.6-169.497.1000112.2N197 M203N197-L199 PolarHBondContact O-N 3.4Å; N197-L199 VanDerWaalsContact O-N 3.1Å; N197-L199 WeakPolarHBondContact OD1-CB 3.15Å; N197-L199 PolarHBondContact OD1-N 2.79Å; L199-M203 WeakPolarHBondContact O-CB 3.43Å; L199-M203 PolarHBondContact O-N 2.9Å
200V72.1Confident71.3Confident19 Ų1964.3 Ų64.312%0.11534%0.344CS..Hα-helixtrans-79.4-34.2-179.6176.90000110I194 N197 D202 M203 M204I194-V200 HydrophobicContact CG2-CG1 4.34Å; I194-V200 HydrophobicContact CG2-CG2 4Å; I194-V200 WeakPolarHBondContact O-CB 3.33Å; I194-V200 WeakPolarHBondContact O-CG1 3.49Å; I194-V200 WeakPolarHBondContact O-CG2 3.12Å; N197-V200 HydrophobicContact CB-CB 4.37Å; N197-V200 HydrophobicContact CB-CG2 4.23Å; N197-V200 PolarHBondContact O-N 2.78Å; V200-D202 VanDerWaalsContact C-N 3.33Å; V200-M203 HydrophobicContact CG1-CE 4.28Å; V200-M203 CarbonylContact O-C 3.59Å; V200-M203 WeakPolarHBondContact O-CB 3.36Å; V200-M203 PolarHBondContact O-N 2.9Å; V200-M204 HydrophobicContact CG1-CE 3.68Å; V200-M204 HydrophobicContact CG1-CG 4.25Å; V200-M204 HydrophobicContact CG1-SD 3.98Å; V200-M204 WeakPolarHBondContact O-CB 3.24Å; V200-M204 WeakPolarHBondContact O-CG 3.46Å; V200-M204 PolarHBondContact O-N 3.29Å
201Q67Low71.4Confident80 Ų8063.7 Ų63.737%0.37434%0.337SS..Hα-helixtrans-67-35.5175.4-157.5154.9110.800111.8M195 N197 S205M195-Q201 PolarHBondContact O-NE2 2.95Å; M195-Q201 VanDerWaalsContact O-NE2 3.15Å; N197-Q201 WeakPolarHBondContact O-CB 3.36Å; N197-Q201 PolarHBondContact O-N 3.06Å; Q201-S205 VanDerWaalsContact O-CB 3.25Å; Q201-S205 WeakPolarHBondContact O-CB 3.47Å; Q201-S205 PolarHBondContact O-N 3.25Å; Q201-S205 PolarHBondContact O-OG 3.5Å
202D70.3Confident71.8Confident42 Ų4265.7 Ų65.723%0.22535%0.345CS..Hα-helixtrans-61.7-55.7165.5-179.8-67.5000110.9P198 V200 M204 S205 N206 T403P198-D202 WeakPolarHBondContact O-CB 3.3Å; P198-D202 PolarHBondContact O-N 3.17Å; V200-D202 VanDerWaalsContact C-N 3.33Å; D202-M204 PolarHBondContact O-N 2.75Å; D202-M204 VanDerWaalsContact O-N 3.1Å; D202-S205 WeakPolarHBondContact CA-OG 3.27Å; D202-S205 PolarHBondContact O-N 2.9Å; D202-S205 PolarHBondContact O-OG 2.8Å; D202-N206 WeakPolarHBondContact O-CB 3.27Å; D202-N206 PolarHBondContact O-N 3.37Å; D202-N206 PolarHBondContact O-ND2 2.83Å; D202-N206 PolarHBondContact OD1-ND2 3.4Å; D202-T403 WeakPolarHBondContact OD2-CG2 3.16Å
203M67Low71.8Confident34 Ų3468.1 Ų68.117%0.16735%0.352CS..Hα-helixtrans-54.2-31.9179.3-171-169.586.800113.7L199 V200 L209 M213L199-M203 WeakPolarHBondContact O-CB 3.43Å; L199-M203 PolarHBondContact O-N 2.9Å; V200-M203 HydrophobicContact CG1-CE 4.28Å; V200-M203 CarbonylContact O-C 3.59Å; V200-M203 WeakPolarHBondContact O-CB 3.36Å; V200-M203 PolarHBondContact O-N 2.9Å; M203-L209 HydrophobicContact CB-CD2 4.22Å; M203-L209 HydrophobicContact CG-CD2 4.09Å; M203-L209 HydrophobicContact CG-CG 4.02Å; M203-M213 HydrophobicContact CE-CE 4.29Å; M203-M213 HydrophobicContact CE-SD 3.79Å; M203-M213 HydrophobicContact CG-CE 4.47Å; M203-M213 HydrophobicContact SD-CE 3.35Å; M203-M213 WeakPolarHBondContact SD-CE 3.37Å; M203-M213 HydrophobicContact SD-SD 3.67Å; M203-M213 VanDerWaalsContact SD-SD 3.67Å
204M64.5Low71.8Confident36 Ų3662.6 Ų62.618%0.17733%0.326CS..Hα-helixtrans-81-45.3174.8-77.1-173.8178.400111.4M195 V200 D202 N206 M210 M244M195-M204 HydrophobicContact CE-CE 3.73Å; M195-M204 HydrophobicContact CE-SD 4.29Å; M195-M204 HydrophobicContact CG-CE 3.91Å; M195-M204 HydrophobicContact CG-SD 4.12Å; V200-M204 HydrophobicContact CG1-CE 3.68Å; V200-M204 HydrophobicContact CG1-CG 4.25Å; V200-M204 HydrophobicContact CG1-SD 3.98Å; V200-M204 WeakPolarHBondContact O-CB 3.24Å; V200-M204 WeakPolarHBondContact O-CG 3.46Å; V200-M204 PolarHBondContact O-N 3.29Å; D202-M204 PolarHBondContact O-N 2.75Å; D202-M204 VanDerWaalsContact O-N 3.1Å; M204-N206 PolarHBondContact O-N 3.29Å; M204-M210 HydrophobicContact CG-CE 4.33Å; M204-M244 VanDerWaalsContact C-SD 3.54Å; M204-M244 HydrophobicContact CB-CE 3.5Å; M204-M244 VanDerWaalsContact CB-CE 3.5Å; M204-M244 HydrophobicContact CB-CG 4.48Å; M204-M244 HydrophobicContact CB-SD 3.62Å; M204-M244 HydrophobicContact CG-CE 3.85Å; M204-M244 HydrophobicContact CG-SD 4.46Å; M204-M244 WeakPolarHBondContact O-CE 3.47Å
205S76.3Confident72.2Confident73 Ų7365.1 Ų65.151%0.5134%0.339SS..Hα-helixtrans-62-24.8176.275.10000114Q201 D202 P207Q201-S205 VanDerWaalsContact O-CB 3.25Å; Q201-S205 WeakPolarHBondContact O-CB 3.47Å; Q201-S205 PolarHBondContact O-N 3.25Å; Q201-S205 PolarHBondContact O-OG 3.5Å; D202-S205 WeakPolarHBondContact CA-OG 3.27Å; D202-S205 PolarHBondContact O-N 2.9Å; D202-S205 PolarHBondContact O-OG 2.8Å; S205-P207 WeakPolarHBondContact O-CD 3.46Å
206N77.5Confident72.9Confident52 Ų5265.6 Ų65.628%0.27835%0.351SS..  trans-93.793179-82-49.3000111.2D202 M204 D208 L209 M210D202-N206 WeakPolarHBondContact O-CB 3.27Å; D202-N206 PolarHBondContact O-N 3.37Å; D202-N206 PolarHBondContact O-ND2 2.83Å; D202-N206 PolarHBondContact OD1-ND2 3.4Å; M204-N206 PolarHBondContact O-N 3.29Å; N206-D208 PolarHBondContact O-N 3.47Å; N206-D208 VanDerWaalsContact O-N 3.12Å; N206-L209 HydrophobicContact CB-CB 3.83Å; N206-L209 PolarHBondContact O-N 3.44Å; N206-L209 VanDerWaalsContact O-N 3.09Å; N206-M210 PolarHBondContact O-N 2.93Å
207P69.6Low72.7Confident33 Ų3362.3 Ų62.321%0.21434%0.337CS..Hα-helixtrans-61.6-27.5-175.326.7-36.5000113.1S205 R211 P237 M240S205-P207 WeakPolarHBondContact O-CD 3.46Å; P207-R211 VanDerWaalsContact O-CB 3.3Å; P207-R211 WeakPolarHBondContact O-CB 3.04Å; P207-R211 WeakPolarHBondContact O-CG 3.32Å; P207-R211 PolarHBondContact O-N 3.29Å; P207-P237 HydrophobicContact CB-CB 4.41Å; P207-M240 HydrophobicContact CB-SD 4.36Å
208D80.5Confident72.8Confident100 Ų10062.9 Ų62.954%0.53535%0.345SS..Hα-helixtrans-80.7-29.3179.2-58.1-57.5000112.8N206 R211 H212N206-D208 PolarHBondContact O-N 3.47Å; N206-D208 VanDerWaalsContact O-N 3.12Å; D208-R211 IonicContact OD1-NH1 3.68Å; D208-R211 PolarHBondContact OD1-NH1 3.24Å; D208-H212 VanDerWaalsContact O-CB 3.25Å; D208-H212 WeakPolarHBondContact O-CB 3.25Å; D208-H212 PolarHBondContact O-N 3.08Å
209L77.2Confident72.9Confident15 Ų1562.8 Ų62.88%0.07934%0.336CS..Hα-helixtrans-72.1-39.7167.5177.553.6000110.6M203 N206 H212 M213 Y400M203-L209 HydrophobicContact CB-CD2 4.22Å; M203-L209 HydrophobicContact CG-CD2 4.09Å; M203-L209 HydrophobicContact CG-CG 4.02Å; N206-L209 HydrophobicContact CB-CB 3.83Å; N206-L209 PolarHBondContact O-N 3.44Å; N206-L209 VanDerWaalsContact O-N 3.09Å; L209-H212 PolarHBondContact O-N 2.84Å; L209-M213 PolarHBondContact O-N 2.85Å; L209-Y400 HydrophobicContact CD1-CD2 4.11Å; L209-Y400 HydrophobicContact CD2-CD2 3.84Å; L209-Y400 HydrophobicContact CD2-CE2 4.4Å
210M66.8Low72.6Confident39 Ų3960.7 Ų60.719%0.19233%0.325CS..Hα-helixtrans-60.9-50.4173.9-140.1-158.9-177.500110.9M204 N206 H212 M213 I214 M240 M244M204-M210 HydrophobicContact CG-CE 4.33Å; N206-M210 PolarHBondContact O-N 2.93Å; M210-H212 VanDerWaalsContact C-N 3.32Å; M210-H212 PolarHBondContact O-N 3.44Å; M210-M213 PolarHBondContact O-N 3.12Å; M210-I214 HydrophobicContact CB-CD1 4.43Å; M210-I214 HydrophobicContact CG-CD1 4Å; M210-I214 VanDerWaalsContact O-CB 3.26Å; M210-I214 WeakPolarHBondContact O-CB 3.47Å; M210-I214 WeakPolarHBondContact O-CD1 3.28Å; M210-I214 WeakPolarHBondContact O-CG1 3.28Å; M210-I214 PolarHBondContact O-N 2.9Å; M210-I214 HydrophobicContact SD-CD1 4.31Å; M210-M240 HydrophobicContact CB-CE 3.95Å; M210-M240 HydrophobicContact CB-SD 4.33Å; M210-M240 HydrophobicContact CG-CE 4.12Å; M210-M240 HydrophobicContact SD-CE 3.59Å; M210-M240 VanDerWaalsContact SD-CE 3.59Å; M210-M240 HydrophobicContact SD-CG 4.02Å; M210-M240 HydrophobicContact SD-SD 3.81Å; M210-M244 HydrophobicContact CE-CE 3.51Å; M210-M244 HydrophobicContact SD-CE 3.35Å; M210-M244 WeakPolarHBondContact SD-CE 3.26Å
211R72.9Confident72.6Confident63 Ų6364.4 Ų64.424%0.23834%0.34CS..Hα-helixtrans-56.9-41.5172.1-77.9167.4176.2158.4-6.7112.5P207 D208 I214 M215 L234 N235 M240P207-R211 VanDerWaalsContact O-CB 3.3Å; P207-R211 WeakPolarHBondContact O-CB 3.04Å; P207-R211 WeakPolarHBondContact O-CG 3.32Å; P207-R211 PolarHBondContact O-N 3.29Å; D208-R211 IonicContact OD1-NH1 3.68Å; D208-R211 PolarHBondContact OD1-NH1 3.24Å; R211-I214 PolarHBondContact O-N 2.66Å; R211-M215 WeakPolarHBondContact O-CB 3.23Å; R211-M215 WeakPolarHBondContact O-CG 3.23Å; R211-M215 PolarHBondContact O-N 2.87Å; R211-L234 PolarHBondContact NE-O 3.2Å; R211-N235 PolarHBondContact NH2-O 3.1Å; R211-M240 HydrophobicContact CG-CE 4.21Å
212H75Confident73.1Confident115 Ų11566.2 Ų66.253%0.53235%0.349SS..Hα-helixtrans-63.5-45.9177.5-175.968.2000111.7D208 L209 M210 I214 M215 A216D208-H212 VanDerWaalsContact O-CB 3.25Å; D208-H212 WeakPolarHBondContact O-CB 3.25Å; D208-H212 PolarHBondContact O-N 3.08Å; L209-H212 PolarHBondContact O-N 2.84Å; M210-H212 VanDerWaalsContact C-N 3.32Å; M210-H212 PolarHBondContact O-N 3.44Å; H212-I214 VanDerWaalsContact C-N 3.31Å; H212-I214 PolarHBondContact O-N 3.33Å; H212-M215 PolarHBondContact O-N 2.86Å; H212-A216 WeakPolarHBondContact O-CB 3.26Å; H212-A216 PolarHBondContact O-N 2.97Å
213M70.5Confident73Confident96 Ų9667.7 Ų67.747%0.47336%0.357SS..Hα-helixtrans-62.9-38.4174.8179.5170.3-72.200112.3M203 L209 M210 A216 N217M203-M213 HydrophobicContact CE-CE 4.29Å; M203-M213 HydrophobicContact CE-SD 3.79Å; M203-M213 HydrophobicContact CG-CE 4.47Å; M203-M213 HydrophobicContact SD-CE 3.35Å; M203-M213 WeakPolarHBondContact SD-CE 3.37Å; M203-M213 HydrophobicContact SD-SD 3.67Å; M203-M213 VanDerWaalsContact SD-SD 3.67Å; L209-M213 PolarHBondContact O-N 2.85Å; M210-M213 PolarHBondContact O-N 3.12Å; M213-A216 PolarHBondContact O-N 3.44Å; M213-N217 WeakPolarHBondContact O-CB 3.18Å; M213-N217 PolarHBondContact O-N 3.03Å
214I70.6Confident73.2Confident12 Ų1267.9 Ų67.96%0.06236%0.358CS..Hα-helixtrans-66.5-41.4177.6-84.2148.2000112.1M210 R211 H212 M220 M224 L234 M240M210-I214 HydrophobicContact CB-CD1 4.43Å; M210-I214 HydrophobicContact CG-CD1 4Å; M210-I214 VanDerWaalsContact O-CB 3.26Å; M210-I214 WeakPolarHBondContact O-CB 3.47Å; M210-I214 WeakPolarHBondContact O-CD1 3.28Å; M210-I214 WeakPolarHBondContact O-CG1 3.28Å; M210-I214 PolarHBondContact O-N 2.9Å; M210-I214 HydrophobicContact SD-CD1 4.31Å; R211-I214 PolarHBondContact O-N 2.66Å; H212-I214 VanDerWaalsContact C-N 3.31Å; H212-I214 PolarHBondContact O-N 3.33Å; I214-M220 HydrophobicContact CB-CG 4.01Å; I214-M220 HydrophobicContact CG1-CE 3.86Å; I214-M220 HydrophobicContact CG1-CG 3.96Å; I214-M220 HydrophobicContact CG1-SD 4.16Å; I214-M220 HydrophobicContact CG2-CG 3.75Å; I214-M220 VanDerWaalsContact O-CB 3.31Å; I214-M220 WeakPolarHBondContact O-CB 3.36Å; I214-M220 WeakPolarHBondContact O-CG 3.43Å; I214-M224 HydrophobicContact CG2-SD 3.8Å; I214-L234 HydrophobicContact CD1-CD2 3.4Å; I214-L234 VanDerWaalsContact CD1-CD2 3.4Å; I214-L234 HydrophobicContact CG1-CD2 4.09Å; I214-L234 HydrophobicContact CG2-CD1 3.63Å; I214-L234 HydrophobicContact CG2-CD2 3.99Å; I214-L234 HydrophobicContact CG2-CG 4.27Å; I214-M240 HydrophobicContact CD1-CE 3.46Å; I214-M240 VanDerWaalsContact CD1-CE 3.46Å
215M74.2Confident73.6Confident112 Ų11273.5 Ų73.555%0.55238%0.383SS*.Hα-helixtrans-76.6-31.2174.8-69.1176.9175.600112.1R211 H212 N217 Q221R211-M215 WeakPolarHBondContact O-CB 3.23Å; R211-M215 WeakPolarHBondContact O-CG 3.23Å; R211-M215 PolarHBondContact O-N 2.87Å; H212-M215 PolarHBondContact O-N 2.86Å; M215-N217 VanDerWaalsContact C-N 3.34Å; M215-Q221 PolarHBondContact O-NE2 3.47Å
216A78.6Confident73.6Confident65 Ų6577.4 Ų77.454%0.53739%0.387SS..Hα-helixtrans-73.5-22.5177.200000113.5H212 M213 P218H212-A216 WeakPolarHBondContact O-CB 3.26Å; H212-A216 PolarHBondContact O-N 2.97Å; M213-A216 PolarHBondContact O-N 3.44Å; A216-P218 WeakPolarHBondContact O-CD 3.27Å
217N71Confident73.1Confident53 Ų5377.8 Ų77.828%0.28339%0.389SS..  trans-86.7113177.6-176.9-6.7000111.1M213 M215 Q219 M220 Q221M213-N217 WeakPolarHBondContact O-CB 3.18Å; M213-N217 PolarHBondContact O-N 3.03Å; M215-N217 VanDerWaalsContact C-N 3.34Å; N217-Q219 VanDerWaalsContact C-N 3.26Å; N217-Q219 PolarHBondContact O-N 3.43Å; N217-Q219 WeakPolarHBondContact OD1-CB 3.48Å; N217-Q219 PolarHBondContact OD1-N 2.94Å; N217-M220 HydrophobicContact CB-CB 3.86Å; N217-M220 WeakPolarHBondContact O-CA 3.26Å; N217-M220 WeakPolarHBondContact O-CB 3.46Å; N217-M220 PolarHBondContact O-N 2.74Å; N217-Q221 PolarHBondContact O-N 2.93Å
218P77.8Confident73.5Confident85 Ų8580.1 Ų80.155%0.55240%0.404SS*.Hα-helixtrans-64.5-28.3179.827-35000113.1A216 M220 Q221 Q222A216-P218 WeakPolarHBondContact O-CD 3.27Å; P218-M220 PolarHBondContact O-N 3.31Å; P218-Q221 PolarHBondContact O-N 3.31Å; P218-Q222 WeakPolarHBondContact O-CG 3.2Å; P218-Q222 PolarHBondContact O-N 2.76Å; P218-Q222 VanDerWaalsContact O-N 3.09Å
219Q76Confident73.3Confident97 Ų9782.7 Ų82.745%0.45341%0.413SS..Hα-helixtrans-66.2-30.7173.8-52.5-174-77.200111.4N217 L223N217-Q219 VanDerWaalsContact C-N 3.26Å; N217-Q219 PolarHBondContact O-N 3.43Å; N217-Q219 WeakPolarHBondContact OD1-CB 3.48Å; N217-Q219 PolarHBondContact OD1-N 2.94Å; Q219-L223 WeakPolarHBondContact O-CB 3.31Å; Q219-L223 PolarHBondContact O-N 3.3Å; Q219-L223 VanDerWaalsContact O-N 3.12Å
220M69.5Low72.9Confident54 Ų5483.5 Ų83.527%0.26642%0.417SS..Hα-helixtrans-81.4-34178.2-17180.569.100111.5I214 N217 P218 L223 M224I214-M220 HydrophobicContact CB-CG 4.01Å; I214-M220 HydrophobicContact CG1-CE 3.86Å; I214-M220 HydrophobicContact CG1-CG 3.96Å; I214-M220 HydrophobicContact CG1-SD 4.16Å; I214-M220 HydrophobicContact CG2-CG 3.75Å; I214-M220 VanDerWaalsContact O-CB 3.31Å; I214-M220 WeakPolarHBondContact O-CB 3.36Å; I214-M220 WeakPolarHBondContact O-CG 3.43Å; N217-M220 HydrophobicContact CB-CB 3.86Å; N217-M220 WeakPolarHBondContact O-CA 3.26Å; N217-M220 WeakPolarHBondContact O-CB 3.46Å; N217-M220 PolarHBondContact O-N 2.74Å; P218-M220 PolarHBondContact O-N 3.31Å; M220-L223 CarbonylContact O-C 3.56Å; M220-L223 WeakPolarHBondContact O-CB 3.5Å; M220-L223 PolarHBondContact O-N 3.29Å; M220-L223 VanDerWaalsContact O-N 3.16Å; M220-L223 HydrophobicContact SD-CD2 4.18Å; M220-M224 VanDerWaalsContact O-CG 3.3Å; M220-M224 WeakPolarHBondContact O-CG 3.43Å; M220-M224 PolarHBondContact O-N 2.82Å
221Q72.5Confident73.1Confident96 Ų9683.5 Ų83.545%0.44942%0.42SS..Hα-helixtrans-57.7-50.4168.3-67.2-179.843.500110.6M215 N217 P218 L223 M224 E225M215-Q221 PolarHBondContact O-NE2 3.47Å; N217-Q221 PolarHBondContact O-N 2.93Å; P218-Q221 PolarHBondContact O-N 3.31Å; Q221-L223 PolarHBondContact O-N 3.39Å; Q221-M224 WeakPolarHBondContact O-CA 3.36Å; Q221-M224 WeakPolarHBondContact O-CB 3.14Å; Q221-M224 PolarHBondContact O-N 2.74Å; Q221-E225 WeakPolarHBondContact O-CG 3.13Å; Q221-E225 PolarHBondContact O-N 2.93Å
222Q76.1Confident73.3Confident119 Ų11986.3 Ų86.356%0.55644%0.436SS*.Hα-helixtrans-56.4-37.8173.6-70.9178.8-29.300112.4P218 E225 R226P218-Q222 WeakPolarHBondContact O-CG 3.2Å; P218-Q222 PolarHBondContact O-N 2.76Å; P218-Q222 VanDerWaalsContact O-N 3.09Å; Q222-E225 WeakPolarHBondContact CA-OE2 3.21Å; Q222-E225 PolarHBondContact O-N 3.47Å; Q222-R226 WeakPolarHBondContact O-CB 3.25Å; Q222-R226 WeakPolarHBondContact O-CG 3.15Å; Q222-R226 PolarHBondContact O-N 3.39Å
223L68.8Low73.1Confident73 Ų7383.3 Ų83.338%0.38242%0.423SS..Hα-helixtrans-70.1-33.6176.3-173.558.5000113Q219 M220 Q221 N227 I230Q219-L223 WeakPolarHBondContact O-CB 3.31Å; Q219-L223 PolarHBondContact O-N 3.3Å; Q219-L223 VanDerWaalsContact O-N 3.12Å; M220-L223 CarbonylContact O-C 3.56Å; M220-L223 WeakPolarHBondContact O-CB 3.5Å; M220-L223 PolarHBondContact O-N 3.29Å; M220-L223 VanDerWaalsContact O-N 3.16Å; M220-L223 HydrophobicContact SD-CD2 4.18Å; Q221-L223 PolarHBondContact O-N 3.39Å; L223-N227 VanDerWaalsContact O-CB 3.26Å; L223-N227 WeakPolarHBondContact O-CB 3.17Å; L223-N227 PolarHBondContact O-N 2.73Å; L223-I230 HydrophobicContact CD1-CD1 3.72Å; L223-I230 HydrophobicContact CD2-CD1 3.87Å; L223-I230 HydrophobicContact CG-CD1 3.59Å; L223-I230 HydrophobicContact CG-CG2 4.45Å
224M71.2Confident73Confident38 Ų3879.2 Ų79.219%0.18740%0.403CS..Hα-helixtrans-70.1-36.8172.9-70.6174.270.700112.4I214 M220 Q221 I230 L234I214-M224 HydrophobicContact CG2-SD 3.8Å; M220-M224 VanDerWaalsContact O-CG 3.3Å; M220-M224 WeakPolarHBondContact O-CG 3.43Å; M220-M224 PolarHBondContact O-N 2.82Å; Q221-M224 WeakPolarHBondContact O-CA 3.36Å; Q221-M224 WeakPolarHBondContact O-CB 3.14Å; Q221-M224 PolarHBondContact O-N 2.74Å; M224-I230 HydrophobicContact CG-CG2 4.34Å; M224-L234 HydrophobicContact CE-CD1 4.07Å; M224-L234 HydrophobicContact CG-CD1 3.49Å; M224-L234 VanDerWaalsContact CG-CD1 3.49Å; M224-L234 HydrophobicContact SD-CD1 3.63Å
225E74Confident73.3Confident153 Ų15383.3 Ų83.372%0.71543%0.425SS*.Hα-helixtrans-69.1-41.7174.3-68.5173.1105.700111.6Q221 Q222Q221-E225 WeakPolarHBondContact O-CG 3.13Å; Q221-E225 PolarHBondContact O-N 2.93Å; Q222-E225 WeakPolarHBondContact CA-OE2 3.21Å; Q222-E225 PolarHBondContact O-N 3.47Å
226R75.5Confident73.6Confident156 Ų15682.1 Ų82.159%0.58942%0.421SS*.Hα-helixtrans-76.9-22.6179.8-69.5-170.78592.117.2114.1Q222Q222-R226 WeakPolarHBondContact O-CB 3.25Å; Q222-R226 WeakPolarHBondContact O-CG 3.15Å; Q222-R226 PolarHBondContact O-N 3.39Å
227N66.7Low73.2Confident59 Ų5981.3 Ų81.332%0.31641%0.41SS..  trans-136.196.1-170.2-133.8-26.4000111.7L223 E229 I230 S231L223-N227 VanDerWaalsContact O-CB 3.26Å; L223-N227 WeakPolarHBondContact O-CB 3.17Å; L223-N227 PolarHBondContact O-N 2.73Å; N227-E229 PolarHBondContact O-N 3.44Å; N227-I230 HydrophobicContact CB-CB 4.17Å; N227-I230 HydrophobicContact CB-CD1 3.87Å; N227-I230 HydrophobicContact CB-CG1 4.05Å; N227-I230 WeakPolarHBondContact O-CB 3.21Å; N227-I230 PolarHBondContact O-N 2.94Å; N227-S231 PolarHBondContact O-N 2.98Å
228P78.6Confident73.7Confident82 Ų8284.5 Ų84.553%0.53242%0.423SS..Hα-helixtrans-64.6-26.6-176.326.3-34.2000112.4I230 S231 H232P228-I230 VanDerWaalsContact C-N 3.3Å; P228-I230 PolarHBondContact O-N 2.79Å; P228-S231 WeakPolarHBondContact O-CB 3.35Å; P228-S231 PolarHBondContact O-N 3.36Å; P228-H232 PolarHBondContact O-N 3.3Å; P228-H232 PolarHBondContact O-ND1 3.22Å
229E76.6Confident73.6Confident154 Ų15483.4 Ų83.472%0.7241%0.412SS*.Hα-helixtrans-62.5-37.7173.4-60.9-164.911300112N227 H232 M233N227-E229 PolarHBondContact O-N 3.44Å; E229-H232 PolarHBondContact O-N 3.12Å; E229-M233 PolarHBondContact O-N 2.92Å
230I68.3Low73.2Confident33 Ų3379.2 Ų79.217%0.16939%0.393CS..Hα-helixtrans-68.5-41175.2-67.2178.3000109.7L223 M224 N227 P228 H232 M233 L234L223-I230 HydrophobicContact CD1-CD1 3.72Å; L223-I230 HydrophobicContact CD2-CD1 3.87Å; L223-I230 HydrophobicContact CG-CD1 3.59Å; L223-I230 HydrophobicContact CG-CG2 4.45Å; M224-I230 HydrophobicContact CG-CG2 4.34Å; N227-I230 HydrophobicContact CB-CB 4.17Å; N227-I230 HydrophobicContact CB-CD1 3.87Å; N227-I230 HydrophobicContact CB-CG1 4.05Å; N227-I230 WeakPolarHBondContact O-CB 3.21Å; N227-I230 PolarHBondContact O-N 2.94Å; P228-I230 VanDerWaalsContact C-N 3.3Å; P228-I230 PolarHBondContact O-N 2.79Å; I230-H232 VanDerWaalsContact C-N 3.29Å; I230-H232 PolarHBondContact O-N 2.86Å; I230-M233 HydrophobicContact CG2-CE 4.4Å; I230-M233 PolarHBondContact O-N 2.83Å; I230-L234 HydrophobicContact CG2-CD1 3.51Å; I230-L234 HydrophobicContact CG2-CG 4.17Å; I230-L234 WeakPolarHBondContact O-CB 3.2Å; I230-L234 WeakPolarHBondContact O-CD1 3.35Å; I230-L234 WeakPolarHBondContact O-CG 3.45Å; I230-L234 PolarHBondContact O-N 3.43Å
231S71.4Confident73.3Confident38 Ų3883.5 Ų83.527%0.26641%0.406SS..Hα-helixtrans-57.1-40.7170.8-170.50000112.5N227 P228 L234 N235N227-S231 PolarHBondContact O-N 2.98Å; P228-S231 WeakPolarHBondContact O-CB 3.35Å; P228-S231 PolarHBondContact O-N 3.36Å; S231-L234 PolarHBondContact O-N 2.98Å; S231-N235 WeakPolarHBondContact O-CB 3.44Å; S231-N235 PolarHBondContact O-N 2.78Å; S231-N235 PolarHBondContact O-ND2 3.25Å
232H76.8Confident73.4Confident122 Ų12284.6 Ų84.657%0.56541%0.411SS*.Hα-helixtrans-67.6-40.2174.6-72.586.1000113.1P228 E229 I230 L234 N235 N236P228-H232 PolarHBondContact O-N 3.3Å; P228-H232 PolarHBondContact O-ND1 3.22Å; E229-H232 PolarHBondContact O-N 3.12Å; I230-H232 VanDerWaalsContact C-N 3.29Å; I230-H232 PolarHBondContact O-N 2.86Å; H232-L234 VanDerWaalsContact C-N 3.31Å; H232-L234 PolarHBondContact O-N 3.08Å; H232-N235 PolarHBondContact O-N 3.06Å; H232-N236 WeakPolarHBondContact O-CB 3.19Å; H232-N236 PolarHBondContact O-N 2.75Å
233M70.1Confident73.1Confident52 Ų5281.6 Ų81.626%0.25640%0.401SS..Hα-helixtrans-60.8-38.4175.5-177.7-176.972.900112.5E229 I230 N236 L239 T243E229-M233 PolarHBondContact O-N 2.92Å; I230-M233 HydrophobicContact CG2-CE 4.4Å; I230-M233 PolarHBondContact O-N 2.83Å; M233-N236 VanDerWaalsContact O-O 3.12Å; M233-L239 HydrophobicContact CB-CD2 4.29Å; M233-L239 HydrophobicContact CB-CG 4.38Å; M233-L239 HydrophobicContact CG-CG 4.23Å; M233-T243 HydrophobicContact SD-CG2 3.84Å
234L68.8Low73Confident10 Ų1079.7 Ų79.75%0.05239%0.391CS..Hα-helixtrans-84-27.1-176.3-61.5168.3000112.9R211 I214 M224 I230 S231 H232 M240R211-L234 PolarHBondContact NE-O 3.2Å; I214-L234 HydrophobicContact CD1-CD2 3.4Å; I214-L234 VanDerWaalsContact CD1-CD2 3.4Å; I214-L234 HydrophobicContact CG1-CD2 4.09Å; I214-L234 HydrophobicContact CG2-CD1 3.63Å; I214-L234 HydrophobicContact CG2-CD2 3.99Å; I214-L234 HydrophobicContact CG2-CG 4.27Å; M224-L234 HydrophobicContact CE-CD1 4.07Å; M224-L234 HydrophobicContact CG-CD1 3.49Å; M224-L234 VanDerWaalsContact CG-CD1 3.49Å; M224-L234 HydrophobicContact SD-CD1 3.63Å; I230-L234 HydrophobicContact CG2-CD1 3.51Å; I230-L234 HydrophobicContact CG2-CG 4.17Å; I230-L234 WeakPolarHBondContact O-CB 3.2Å; I230-L234 WeakPolarHBondContact O-CD1 3.35Å; I230-L234 WeakPolarHBondContact O-CG 3.45Å; I230-L234 PolarHBondContact O-N 3.43Å; S231-L234 PolarHBondContact O-N 2.98Å; H232-L234 VanDerWaalsContact C-N 3.31Å; H232-L234 PolarHBondContact O-N 3.08Å; L234-M240 HydrophobicContact CD2-CE 3.51Å
235N76.3Confident72.9Confident99 Ų9983.9 Ų83.953%0.52941%0.41SS..Hα-helixtrans-73.9-41.8170.8-83.9-81.5000111.9R211 S231 H232 P237R211-N235 PolarHBondContact NH2-O 3.1Å; S231-N235 WeakPolarHBondContact O-CB 3.44Å; S231-N235 PolarHBondContact O-N 2.78Å; S231-N235 PolarHBondContact O-ND2 3.25Å; H232-N235 PolarHBondContact O-N 3.06Å; N235-P237 VanDerWaalsContact O-CD 3.26Å; N235-P237 WeakPolarHBondContact O-CD 3.34Å
236N80.3Confident72.7Confident87 Ų8777.7 Ų77.747%0.46538%0.381SS..  trans-83.9105.6179.6-81.1-35.4000112.3H232 M233 E238 L239 M240H232-N236 WeakPolarHBondContact O-CB 3.19Å; H232-N236 PolarHBondContact O-N 2.75Å; M233-N236 VanDerWaalsContact O-O 3.12Å; N236-E238 PolarHBondContact O-N 2.92Å; N236-L239 HydrophobicContact CB-CB 3.66Å; N236-L239 PolarHBondContact O-N 3.12Å; N236-L239 VanDerWaalsContact O-N 3.07Å; N236-M240 PolarHBondContact O-N 3.14Å
237P71.4Confident72.1Confident47 Ų4771.9 Ų71.931%0.30537%0.367SS..Hα-helixtrans-65.3-28.9-178.529.2-34.9000112.5P207 N235 M240 R241P207-P237 HydrophobicContact CB-CB 4.41Å; N235-P237 VanDerWaalsContact O-CD 3.26Å; N235-P237 WeakPolarHBondContact O-CD 3.34Å; P237-M240 WeakPolarHBondContact O-CB 3.38Å; P237-R241 WeakPolarHBondContact O-CB 3.28Å; P237-R241 VanDerWaalsContact O-CG 3.31Å; P237-R241 WeakPolarHBondContact O-CG 3.42Å; P237-R241 PolarHBondContact O-N 3.02Å
238E80.9Confident72Confident120 Ų12077.6 Ų77.656%0.56138%0.384SS*.Hα-helixtrans-73.7-29.2175.7-65.1-65.499.600112.7N236 R241 Q242N236-E238 PolarHBondContact O-N 2.92Å; E238-R241 WeakPolarHBondContact OE1-CD 3.27Å; E238-R241 IonicContact OE1-CZ 2.67Å; E238-R241 IonicContact OE1-NE 3.41Å; E238-R241 IonicContact OE1-NH1 3.92Å; E238-R241 PolarHBondContact OE1-NH1 3.09Å; E238-Q242 WeakPolarHBondContact O-CB 3.39Å; E238-Q242 PolarHBondContact O-N 2.81Å
239L75.4Confident71.4Confident62 Ų6277.1 Ų77.133%0.32538%0.377SS..Hα-helixtrans-77.5-39.8172.4-177.652.2000110.4M233 N236 R241 Q242 T243M233-L239 HydrophobicContact CB-CD2 4.29Å; M233-L239 HydrophobicContact CB-CG 4.38Å; M233-L239 HydrophobicContact CG-CG 4.23Å; N236-L239 HydrophobicContact CB-CB 3.66Å; N236-L239 PolarHBondContact O-N 3.12Å; N236-L239 VanDerWaalsContact O-N 3.07Å; L239-R241 VanDerWaalsContact C-N 3.31Å; L239-R241 PolarHBondContact O-N 2.95Å; L239-Q242 PolarHBondContact O-N 2.88Å; L239-Q242 VanDerWaalsContact O-N 3.16Å; L239-T243 PolarHBondContact O-N 3.32Å; L239-T243 PolarHBondContact O-OG1 3.19Å
240M67.7Low71.1Confident10 Ų1073.8 Ų73.85%0.04937%0.369CS..Hα-helixtrans-54.6-47.6169.5-143.8-173.5-151.500111P207 M210 R211 I214 L234 N236 P237 T243 M244P207-M240 HydrophobicContact CB-SD 4.36Å; M210-M240 HydrophobicContact CB-CE 3.95Å; M210-M240 HydrophobicContact CB-SD 4.33Å; M210-M240 HydrophobicContact CG-CE 4.12Å; M210-M240 HydrophobicContact SD-CE 3.59Å; M210-M240 VanDerWaalsContact SD-CE 3.59Å; M210-M240 HydrophobicContact SD-CG 4.02Å; M210-M240 HydrophobicContact SD-SD 3.81Å; R211-M240 HydrophobicContact CG-CE 4.21Å; I214-M240 HydrophobicContact CD1-CE 3.46Å; I214-M240 VanDerWaalsContact CD1-CE 3.46Å; L234-M240 HydrophobicContact CD2-CE 3.51Å; N236-M240 PolarHBondContact O-N 3.14Å; P237-M240 WeakPolarHBondContact O-CB 3.38Å; M240-T243 PolarHBondContact O-N 2.92Å; M240-M244 WeakPolarHBondContact O-CB 3.39Å; M240-M244 PolarHBondContact O-N 2.96Å
241R71.4Confident71.5Confident143 Ų14375 Ų7554%0.5438%0.384SS..Hα-helixtrans-60.1-45172.4-82.4169.2160.4-176.5-8112.7P237 E238 L239 M244 E245P237-R241 WeakPolarHBondContact O-CB 3.28Å; P237-R241 VanDerWaalsContact O-CG 3.31Å; P237-R241 WeakPolarHBondContact O-CG 3.42Å; P237-R241 PolarHBondContact O-N 3.02Å; E238-R241 WeakPolarHBondContact OE1-CD 3.27Å; E238-R241 IonicContact OE1-CZ 2.67Å; E238-R241 IonicContact OE1-NE 3.41Å; E238-R241 IonicContact OE1-NH1 3.92Å; E238-R241 PolarHBondContact OE1-NH1 3.09Å; L239-R241 VanDerWaalsContact C-N 3.31Å; L239-R241 PolarHBondContact O-N 2.95Å; R241-M244 CarbonylContact O-C 3.6Å; R241-M244 WeakPolarHBondContact O-CB 3.38Å; R241-M244 PolarHBondContact O-N 3.29Å; R241-E245 VanDerWaalsContact O-CB 3.26Å; R241-E245 WeakPolarHBondContact O-CB 3.31Å; R241-E245 PolarHBondContact O-N 2.99Å
242Q74.9Confident71.2Confident119 Ų11976.2 Ų76.256%0.55639%0.386SS*.Hα-helixtrans-63.7-44.4178.9-165.4-178.1137.300112.3E238 L239 M244 E245 L246E238-Q242 WeakPolarHBondContact O-CB 3.39Å; E238-Q242 PolarHBondContact O-N 2.81Å; L239-Q242 PolarHBondContact O-N 2.88Å; L239-Q242 VanDerWaalsContact O-N 3.16Å; Q242-M244 VanDerWaalsContact C-N 3.28Å; Q242-M244 PolarHBondContact O-N 3.43Å; Q242-E245 PolarHBondContact O-N 3.01Å; Q242-L246 VanDerWaalsContact O-CB 3.27Å; Q242-L246 WeakPolarHBondContact O-CB 3.09Å; Q242-L246 PolarHBondContact O-N 3.16Å
243T71.1Confident70.4Confident56 Ų5674.2 Ų74.234%0.34438%0.378SS..Hα-helixtrans-63.4-35.8173.9-59.70000111.7M233 L239 M240 L246 A247M233-T243 HydrophobicContact SD-CG2 3.84Å; L239-T243 PolarHBondContact O-N 3.32Å; L239-T243 PolarHBondContact O-OG1 3.19Å; M240-T243 PolarHBondContact O-N 2.92Å; T243-L246 WeakPolarHBondContact O-CB 3.21Å; T243-A247 WeakPolarHBondContact O-CB 3.13Å; T243-A247 PolarHBondContact O-N 2.72Å
244M65.6Low70.4Confident33 Ų3376.9 Ų76.916%0.16339%0.39CS..Hα-helixtrans-75.4-34.5177.8179.9177.5-68.300113.2M204 M210 M240 R241 Q242 A247 R248M204-M244 VanDerWaalsContact C-SD 3.54Å; M204-M244 HydrophobicContact CB-CE 3.5Å; M204-M244 VanDerWaalsContact CB-CE 3.5Å; M204-M244 HydrophobicContact CB-CG 4.48Å; M204-M244 HydrophobicContact CB-SD 3.62Å; M204-M244 HydrophobicContact CG-CE 3.85Å; M204-M244 HydrophobicContact CG-SD 4.46Å; M204-M244 WeakPolarHBondContact O-CE 3.47Å; M210-M244 HydrophobicContact CE-CE 3.51Å; M210-M244 HydrophobicContact SD-CE 3.35Å; M210-M244 WeakPolarHBondContact SD-CE 3.26Å; M240-M244 WeakPolarHBondContact O-CB 3.39Å; M240-M244 PolarHBondContact O-N 2.96Å; R241-M244 CarbonylContact O-C 3.6Å; R241-M244 WeakPolarHBondContact O-CB 3.38Å; R241-M244 PolarHBondContact O-N 3.29Å; Q242-M244 VanDerWaalsContact C-N 3.28Å; Q242-M244 PolarHBondContact O-N 3.43Å; M244-A247 PolarHBondContact O-N 3.44Å; M244-R248 WeakPolarHBondContact O-CB 2.94Å; M244-R248 PolarHBondContact O-N 3.07Å
245E69.5Low70.5Confident127 Ų12782.3 Ų82.359%0.59342%0.415SS*.Hα-helixtrans-69.8-40.1173.7-167.8169.3111.600110.1R241 Q242 R248 N249R241-E245 VanDerWaalsContact O-CB 3.26Å; R241-E245 WeakPolarHBondContact O-CB 3.31Å; R241-E245 PolarHBondContact O-N 2.99Å; Q242-E245 PolarHBondContact O-N 3.01Å; E245-R248 PolarHBondContact O-N 2.87Å; E245-N249 WeakPolarHBondContact O-CB 3.41Å; E245-N249 PolarHBondContact O-N 2.85Å
246L69.1Low70Confident22 Ų2281.5 Ų81.512%0.11541%0.409CS..Hα-helixtrans-58.8-42.8167.8173.569000112.6Q242 T243 N249 M252 M253 M256Q242-L246 VanDerWaalsContact O-CB 3.27Å; Q242-L246 WeakPolarHBondContact O-CB 3.09Å; Q242-L246 PolarHBondContact O-N 3.16Å; T243-L246 WeakPolarHBondContact O-CB 3.21Å; L246-N249 CarbonylContact O-C 3.55Å; L246-N249 VanDerWaalsContact O-O 3.08Å; L246-M252 HydrophobicContact CB-CE 4.45Å; L246-M252 HydrophobicContact CB-SD 4.18Å; L246-M252 HydrophobicContact CD1-CB 4.28Å; L246-M252 HydrophobicContact CD1-CE 4.32Å; L246-M252 HydrophobicContact CD1-CG 3.76Å; L246-M252 HydrophobicContact CD1-SD 4.18Å; L246-M253 HydrophobicContact CD1-CB 4.22Å; L246-M253 HydrophobicContact CG-CE 4.5Å; L246-M256 HydrophobicContact CD1-CB 3.98Å; L246-M256 HydrophobicContact CD1-CE 3.8Å; L246-M256 HydrophobicContact CD1-SD 3.93Å; L246-M256 HydrophobicContact CD2-CE 3.7Å; L246-M256 HydrophobicContact CD2-SD 3.63Å; L246-M256 HydrophobicContact CG-CE 4.39Å; L246-M256 HydrophobicContact CG-SD 4.44Å
247A63.3Low68.9Low35 Ų3583 Ų8329%0.28942%0.415SS..Hα-helixtrans-73.5-38.6178.500000112.9M195 T243 M244 N249M195-A247 HydrophobicContact CE-CB 4Å; M195-A247 HydrophobicContact SD-CB 4.4Å; T243-A247 WeakPolarHBondContact O-CB 3.13Å; T243-A247 PolarHBondContact O-N 2.72Å; M244-A247 PolarHBondContact O-N 3.44Å; A247-N249 VanDerWaalsContact C-N 3.32Å
248R63.8Low69Low179 Ų17988.3 Ų88.368%0.67543%0.429SS*.Hα-helixtrans-71.6-25.2176175.2177.6168.3171-0.6112.7M244 E245 P250M244-R248 WeakPolarHBondContact O-CB 2.94Å; M244-R248 PolarHBondContact O-N 3.07Å; E245-R248 PolarHBondContact O-N 2.87Å; R248-P250 WeakPolarHBondContact O-CD 3.45Å
249N67.6Low68.9Low72 Ų7287.8 Ų87.839%0.38543%0.43SS..  trans-10586.2178.2-172.3-8.8000109.5E245 L246 A247 A251 M252 M253E245-N249 WeakPolarHBondContact O-CB 3.41Å; E245-N249 PolarHBondContact O-N 2.85Å; L246-N249 CarbonylContact O-C 3.55Å; L246-N249 VanDerWaalsContact O-O 3.08Å; A247-N249 VanDerWaalsContact C-N 3.32Å; N249-A251 PolarHBondContact O-N 2.9Å; N249-A251 VanDerWaalsContact O-N 3.1Å; N249-A251 WeakPolarHBondContact OD1-CB 3.44Å; N249-A251 PolarHBondContact OD1-N 2.78Å; N249-M252 HydrophobicContact CB-CB 3.78Å; N249-M252 CarbonylContact O-C 3.53Å; N249-M252 WeakPolarHBondContact O-CA 3Å; N249-M252 WeakPolarHBondContact O-CB 3.39Å; N249-M252 PolarHBondContact O-N 3.36Å; N249-M252 PolarHBondContact OD1-N 3.18Å; N249-M252 VanDerWaalsContact OD1-N 3.12Å; N249-M253 PolarHBondContact O-N 3.39Å
250P69Low68.5Low83 Ų8390.2 Ų90.254%0.53944%0.439SS..Hα-helixtrans-61-22.5179.525.4-35.2000112.4R248 Q254R248-P250 WeakPolarHBondContact O-CD 3.45Å; P250-Q254 VanDerWaalsContact O-CB 3.28Å; P250-Q254 WeakPolarHBondContact O-CB 3.34Å; P250-Q254 WeakPolarHBondContact O-CG 3.45Å; P250-Q254 PolarHBondContact O-N 3.16Å
251A77.1Confident68.4Low59 Ų5995 Ų9549%0.48847%0.465SS..Hα-helixtrans-70.8-35.2170.100000112.1N249 Q254 E255N249-A251 PolarHBondContact O-N 2.9Å; N249-A251 VanDerWaalsContact O-N 3.1Å; N249-A251 WeakPolarHBondContact OD1-CB 3.44Å; N249-A251 PolarHBondContact OD1-N 2.78Å; A251-Q254 PolarHBondContact O-N 2.72Å; A251-E255 VanDerWaalsContact O-CB 3.27Å; A251-E255 WeakPolarHBondContact O-CB 3.43Å; A251-E255 PolarHBondContact O-N 2.79Å
252M65Low68.4Low64 Ų6497.2 Ų97.232%0.31547%0.473SS..Hα-helixtrans-71.6-36.1171-171.4-175.3176.200112.2L246 N249 E255 M256L246-M252 HydrophobicContact CB-CE 4.45Å; L246-M252 HydrophobicContact CB-SD 4.18Å; L246-M252 HydrophobicContact CD1-CB 4.28Å; L246-M252 HydrophobicContact CD1-CE 4.32Å; L246-M252 HydrophobicContact CD1-CG 3.76Å; L246-M252 HydrophobicContact CD1-SD 4.18Å; N249-M252 HydrophobicContact CB-CB 3.78Å; N249-M252 CarbonylContact O-C 3.53Å; N249-M252 WeakPolarHBondContact O-CA 3Å; N249-M252 WeakPolarHBondContact O-CB 3.39Å; N249-M252 PolarHBondContact O-N 3.36Å; N249-M252 PolarHBondContact OD1-N 3.18Å; N249-M252 VanDerWaalsContact OD1-N 3.12Å; M252-E255 PolarHBondContact O-N 3.49Å; M252-M256 VanDerWaalsContact O-CB 3.25Å; M252-M256 WeakPolarHBondContact O-CB 3.32Å; M252-M256 PolarHBondContact O-N 3.32Å
253M59.3Low68.1Low80 Ų8093.7 Ų93.739%0.39447%0.465SS..Hα-helixtrans-68-36170.6-177.4170-78.600111.5L246 N249 M257L246-M253 HydrophobicContact CD1-CB 4.22Å; L246-M253 HydrophobicContact CG-CE 4.5Å; N249-M253 PolarHBondContact O-N 3.39Å; M253-M257 HydrophobicContact CG-CE 4.29Å; M253-M257 HydrophobicContact CG-CG 4.45Å; M253-M257 HydrophobicContact CG-SD 4.45Å; M253-M257 VanDerWaalsContact O-CB 3.26Å; M253-M257 WeakPolarHBondContact O-CB 3.35Å; M253-M257 VanDerWaalsContact O-CG 3.28Å; M253-M257 WeakPolarHBondContact O-CG 3.26Å; M253-M257 PolarHBondContact O-N 2.88Å; M253-M257 HydrophobicContact SD-CE 4.29Å
254Q70.8Confident67.5Low107 Ų10795.2 Ų95.250%0.547%0.47SS..Hα-helixtrans-70-33.3172.1-75.6174.421.200112.7P250 A251 R258P250-Q254 VanDerWaalsContact O-CB 3.28Å; P250-Q254 WeakPolarHBondContact O-CB 3.34Å; P250-Q254 WeakPolarHBondContact O-CG 3.45Å; P250-Q254 PolarHBondContact O-N 3.16Å; A251-Q254 PolarHBondContact O-N 2.72Å; Q254-R258 VanDerWaalsContact O-CB 3.23Å; Q254-R258 WeakPolarHBondContact O-CB 3.26Å; Q254-R258 VanDerWaalsContact O-CG 3.23Å; Q254-R258 WeakPolarHBondContact O-CG 3.25Å; Q254-R258 PolarHBondContact O-N 3.21Å
255E70.8Confident67.1Low125 Ų12597.1 Ų97.158%0.58449%0.487SS*.Hα-helixtrans-74.2-37.7174.5-162.563.2-15800110.7A251 M252 R258 N259A251-E255 VanDerWaalsContact O-CB 3.27Å; A251-E255 WeakPolarHBondContact O-CB 3.43Å; A251-E255 PolarHBondContact O-N 2.79Å; M252-E255 PolarHBondContact O-N 3.49Å; E255-R258 PolarHBondContact O-N 2.97Å; E255-N259 WeakPolarHBondContact O-CB 3.26Å; E255-N259 PolarHBondContact O-N 3.24Å
256M66.6Low66.7Low81 Ų8196.4 Ų96.440%0.39949%0.487SS..Hα-helixtrans-66.5-42.9170.8-176.9175.4-72.700110.9L246 M252 N259 Q260L246-M256 HydrophobicContact CD1-CB 3.98Å; L246-M256 HydrophobicContact CD1-CE 3.8Å; L246-M256 HydrophobicContact CD1-SD 3.93Å; L246-M256 HydrophobicContact CD2-CE 3.7Å; L246-M256 HydrophobicContact CD2-SD 3.63Å; L246-M256 HydrophobicContact CG-CE 4.39Å; L246-M256 HydrophobicContact CG-SD 4.44Å; M252-M256 VanDerWaalsContact O-CB 3.25Å; M252-M256 WeakPolarHBondContact O-CB 3.32Å; M252-M256 PolarHBondContact O-N 3.32Å; M256-N259 PolarHBondContact O-N 3.16Å; M256-Q260 WeakPolarHBondContact O-CA 3.27Å; M256-Q260 WeakPolarHBondContact O-CB 3.19Å; M256-Q260 PolarHBondContact O-N 3.44Å
257M55.8Low66.1Low120 Ų12099.6 Ų99.659%0.59150%0.504SS*.Hα-helixtrans-63-41.8172.1-78.9-177.8172.700110.8M253 D261M253-M257 HydrophobicContact CG-CE 4.29Å; M253-M257 HydrophobicContact CG-CG 4.45Å; M253-M257 HydrophobicContact CG-SD 4.45Å; M253-M257 VanDerWaalsContact O-CB 3.26Å; M253-M257 WeakPolarHBondContact O-CB 3.35Å; M253-M257 VanDerWaalsContact O-CG 3.28Å; M253-M257 WeakPolarHBondContact O-CG 3.26Å; M253-M257 PolarHBondContact O-N 2.88Å; M253-M257 HydrophobicContact SD-CE 4.29Å; M257-D261 WeakPolarHBondContact O-CA 3.3Å; M257-D261 WeakPolarHBondContact O-CB 3.49Å; M257-D261 PolarHBondContact O-N 2.86Å
258R75.4Confident65.8Low158 Ų158105.6 Ų105.660%0.59653%0.526SS*.Hα-helixtrans-65.7-37.5175.2-82.9176.9154.5100.83.2113.4Q254 E255 R262Q254-R258 VanDerWaalsContact O-CB 3.23Å; Q254-R258 WeakPolarHBondContact O-CB 3.26Å; Q254-R258 VanDerWaalsContact O-CG 3.23Å; Q254-R258 WeakPolarHBondContact O-CG 3.25Å; Q254-R258 PolarHBondContact O-N 3.21Å; E255-R258 PolarHBondContact O-N 2.97Å; R258-R262 WeakPolarHBondContact O-CB 3.28Å; R258-R262 PolarHBondContact O-N 3.39Å
259N77.2Confident66Low109 Ų109101.2 Ų101.258%0.58352%0.523SS*.Hα-helixtrans-80.3-35.3-179.5-167.527.7000111.4E255 M256 A263E255-N259 WeakPolarHBondContact O-CB 3.26Å; E255-N259 PolarHBondContact O-N 3.24Å; M256-N259 PolarHBondContact O-N 3.16Å; N259-A263 WeakPolarHBondContact O-CB 3.43Å; N259-A263 PolarHBondContact O-N 2.96Å
260Q67.6Low65.5Low113 Ų113100.9 Ų100.953%0.52852%0.523SS..Hα-helixtrans-73-39.5172.5-171.3177.4100.100111.1M256 A263 L264M256-Q260 WeakPolarHBondContact O-CA 3.27Å; M256-Q260 WeakPolarHBondContact O-CB 3.19Å; M256-Q260 PolarHBondContact O-N 3.44Å; Q260-A263 CarbonylContact O-C 3.53Å; Q260-A263 PolarHBondContact O-N 3.35Å; Q260-L264 HydrophobicContact CG-CD1 3.96Å; Q260-L264 HydrophobicContact CG-CG 4.28Å; Q260-L264 WeakPolarHBondContact O-CA 3.3Å; Q260-L264 WeakPolarHBondContact O-CB 3.47Å; Q260-L264 WeakPolarHBondContact O-CG 3.34Å; Q260-L264 PolarHBondContact O-N 3.49Å
261D65.6Low64.3Low110 Ų110103.4 Ų103.459%0.58854%0.539SS*.Hα-helixtrans-66.8-41.5172.1-177.4-99.4000111M257 A263 L264 S265M257-D261 WeakPolarHBondContact O-CA 3.3Å; M257-D261 WeakPolarHBondContact O-CB 3.49Å; M257-D261 PolarHBondContact O-N 2.86Å; D261-A263 VanDerWaalsContact C-N 3.33Å; D261-A263 PolarHBondContact O-N 2.93Å; D261-L264 PolarHBondContact O-N 3.07Å; D261-S265 VanDerWaalsContact O-CB 3.23Å; D261-S265 WeakPolarHBondContact O-CB 3.45Å; D261-S265 PolarHBondContact O-N 2.97Å
262R71.8Confident63.4Low190 Ų190102.4 Ų102.472%0.71754%0.535SS*.Hα-helixtrans-60.1-41.9169.1-177.5175.4-66.5-165.8-0.1111.8R258 N266R258-R262 WeakPolarHBondContact O-CB 3.28Å; R258-R262 PolarHBondContact O-N 3.39Å; R262-N266 WeakPolarHBondContact O-CB 3.09Å; R262-N266 PolarHBondContact O-N 2.9Å
263A67.6Low63.2Low45 Ų4599.9 Ų99.937%0.37253%0.525SS..Hα-helixtrans-70.7-34.917600000112.7N259 Q260 D261 N266 L267N259-A263 WeakPolarHBondContact O-CB 3.43Å; N259-A263 PolarHBondContact O-N 2.96Å; Q260-A263 CarbonylContact O-C 3.53Å; Q260-A263 PolarHBondContact O-N 3.35Å; D261-A263 VanDerWaalsContact C-N 3.33Å; D261-A263 PolarHBondContact O-N 2.93Å; A263-N266 CarbonylContact O-C 3.56Å; A263-N266 PolarHBondContact O-N 3.45Å; A263-L267 VanDerWaalsContact O-CB 3.27Å; A263-L267 WeakPolarHBondContact O-CB 3.26Å; A263-L267 WeakPolarHBondContact O-CD1 3.46Å; A263-L267 WeakPolarHBondContact O-CG 3.43Å; A263-L267 PolarHBondContact O-N 3.18Å
264L58.5Low63.1Low87 Ų87104 Ų10446%0.45554%0.537SS..Hα-helixtrans-72.7-44.3178.1-78.8168.8000110.7Q260 D261 N266 L267 E268Q260-L264 HydrophobicContact CG-CD1 3.96Å; Q260-L264 HydrophobicContact CG-CG 4.28Å; Q260-L264 WeakPolarHBondContact O-CA 3.3Å; Q260-L264 WeakPolarHBondContact O-CB 3.47Å; Q260-L264 WeakPolarHBondContact O-CG 3.34Å; Q260-L264 PolarHBondContact O-N 3.49Å; D261-L264 PolarHBondContact O-N 3.07Å; L264-N266 VanDerWaalsContact C-N 3.29Å; L264-N266 PolarHBondContact O-N 3.45Å; L264-L267 CarbonylContact O-C 3.56Å; L264-L267 WeakPolarHBondContact O-CA 3.41Å; L264-L267 WeakPolarHBondContact O-CB 3.43Å; L264-L267 PolarHBondContact O-N 3.45Å; L264-E268 WeakPolarHBondContact O-CB 3.41Å; L264-E268 PolarHBondContact O-N 2.9Å
265S58.4Low62.9Low73 Ų73104 Ų10451%0.5154%0.541SS..Hα-helixtrans-57.4-43.8169.5-177.80000110.9D261 L267 E268 S269D261-S265 VanDerWaalsContact O-CB 3.23Å; D261-S265 WeakPolarHBondContact O-CB 3.45Å; D261-S265 PolarHBondContact O-N 2.97Å; S265-L267 PolarHBondContact O-N 3.33Å; S265-E268 PolarHBondContact O-N 2.95Å; S265-S269 PolarHBondContact O-N 3.27Å; S265-S269 PolarHBondContact O-OG 2.9Å
266N60.1Low62.7Low112 Ų112101 Ų10160%0.59954%0.537SS*.Hα-helixtrans-75.9-1.9174.8-155.6103.8000113.8R262 A263 L264 S269 V270R262-N266 WeakPolarHBondContact O-CB 3.09Å; R262-N266 PolarHBondContact O-N 2.9Å; A263-N266 CarbonylContact O-C 3.56Å; A263-N266 PolarHBondContact O-N 3.45Å; L264-N266 VanDerWaalsContact C-N 3.29Å; L264-N266 PolarHBondContact O-N 3.45Å; N266-S269 PolarHBondContact O-OG 2.9Å; N266-V270 WeakPolarHBondContact O-CG2 3.4Å
267L56.4Low62.7Low90 Ų90101.2 Ų101.247%0.47154%0.539SS..Hα-helixtrans-108.9-23.4171.1-82165.3000112.4A263 L264 S265 S269 V270A263-L267 VanDerWaalsContact O-CB 3.27Å; A263-L267 WeakPolarHBondContact O-CB 3.26Å; A263-L267 WeakPolarHBondContact O-CD1 3.46Å; A263-L267 WeakPolarHBondContact O-CG 3.43Å; A263-L267 PolarHBondContact O-N 3.18Å; L264-L267 CarbonylContact O-C 3.56Å; L264-L267 WeakPolarHBondContact O-CA 3.41Å; L264-L267 WeakPolarHBondContact O-CB 3.43Å; L264-L267 PolarHBondContact O-N 3.45Å; S265-L267 PolarHBondContact O-N 3.33Å; L267-S269 VanDerWaalsContact C-N 3.27Å; L267-V270 HydrophobicContact CD2-CG2 4.33Å; L267-V270 WeakPolarHBondContact O-CB 3.48Å; L267-V270 PolarHBondContact O-N 3.4Å
268E58.2Low63.2Low161 Ų161103 Ų10375%0.75254%0.539SS*.Hα-helixtrans-67.9-34.2170.7-169.9173.5104.300109.7L264 S265 V270L264-E268 WeakPolarHBondContact O-CB 3.41Å; L264-E268 PolarHBondContact O-N 2.9Å; S265-E268 PolarHBondContact O-N 2.95Å; E268-V270 PolarHBondContact O-N 2.83Å
269S66.4Low62.8Low87 Ų87104 Ų10461%0.60854%0.543SS*.THydrogen-bonded Turntrans-70.9-5.1166.361.40000114.9S265 N266 L267S265-S269 PolarHBondContact O-N 3.27Å; S265-S269 PolarHBondContact O-OG 2.9Å; N266-S269 PolarHBondContact O-OG 2.9Å; L267-S269 VanDerWaalsContact C-N 3.27Å
270V57.6Low62Low65 Ų65104.3 Ų104.339%0.39454%0.542SS..SBendtrans-95.1125.6-178.7174.40000110.7N266 L267 E268 G272 G273N266-V270 WeakPolarHBondContact O-CG2 3.4Å; L267-V270 HydrophobicContact CD2-CG2 4.33Å; L267-V270 WeakPolarHBondContact O-CB 3.48Å; L267-V270 PolarHBondContact O-N 3.4Å; E268-V270 PolarHBondContact O-N 2.83Å; V270-G272 VanDerWaalsContact C-N 3.34Å; V270-G272 PolarHBondContact O-N 3.25Å; V270-G273 PolarHBondContact O-N 2.93Å
271P43.8Very low61.4Low136 Ų136105.8 Ų105.888%0.88354%0.544SS*.THydrogen-bonded Turntrans-66.192.3174.427.7-34.4000110.2
272G59.4Low61.5Low38 Ų38104.1 Ų104.139%0.39254%0.538SS..THydrogen-bonded Turntrans146.5-22.7-167.900000113.4V270 Y274 N275 A276V270-G272 VanDerWaalsContact C-N 3.34Å; V270-G272 PolarHBondContact O-N 3.25Å; G272-Y274 PolarHBondContact O-N 2.89Å; G272-N275 WeakPolarHBondContact O-CA 3.4Å; G272-N275 WeakPolarHBondContact O-CB 3.18Å; G272-N275 PolarHBondContact O-N 3.21Å; G272-A276 PolarHBondContact O-N 3.48Å
273G60.8Low61.2Low10 Ų10100.8 Ų100.810%0.10354%0.535CS..Hα-helixtrans-53.9-39.617600000112.9V270 N275 A276 L277V270-G273 PolarHBondContact O-N 2.93Å; G273-N275 VanDerWaalsContact C-N 3.25Å; G273-N275 PolarHBondContact O-N 3.34Å; G273-A276 WeakPolarHBondContact O-CB 3.14Å; G273-A276 PolarHBondContact O-N 2.65Å; G273-L277 PolarHBondContact O-N 3.38Å
274Y57Low60.7Low167 Ų167103.2 Ų103.266%0.65554%0.541SS*.Hα-helixtrans-62.6-27.1174.3-145.7-71.7000113.4G272 R278G272-Y274 PolarHBondContact O-N 2.89Å; Y274-R278 HydrophobicContact CD1-CG 3.97Å; Y274-R278 HydrophobicContact CE1-CG 4.13Å; Y274-R278 WeakPolarHBondContact O-CB 3.17Å; Y274-R278 VanDerWaalsContact O-CG 3.25Å; Y274-R278 WeakPolarHBondContact O-CG 3.27Å; Y274-R278 PolarHBondContact O-N 3.35Å
275N66.7Low60.6Low108 Ų108103.7 Ų103.758%0.57854%0.54SS*.Hα-helixtrans-78.6-31.7172.2-85.7-74.4000112.3G272 G273 R279G272-N275 WeakPolarHBondContact O-CA 3.4Å; G272-N275 WeakPolarHBondContact O-CB 3.18Å; G272-N275 PolarHBondContact O-N 3.21Å; G273-N275 VanDerWaalsContact C-N 3.25Å; G273-N275 PolarHBondContact O-N 3.34Å; N275-R279 WeakPolarHBondContact O-CB 3.23Å; N275-R279 WeakPolarHBondContact O-CG 3.43Å; N275-R279 PolarHBondContact O-N 2.8Å
276A66.9Low60.6Low60 Ų60105.2 Ų105.250%0.49654%0.539SS..Hα-helixtrans-67.6-43.1170.300000111.1G272 G273 R279 M280G272-A276 PolarHBondContact O-N 3.48Å; G273-A276 WeakPolarHBondContact O-CB 3.14Å; G273-A276 PolarHBondContact O-N 2.65Å; A276-R279 CarbonylContact O-C 3.54Å; A276-R279 WeakPolarHBondContact O-CB 3.18Å; A276-R279 PolarHBondContact O-N 3.47Å; A276-M280 PolarHBondContact O-N 3.27Å
277L65.9Low60.5Low86 Ų86101.3 Ų101.345%0.4552%0.52SS..Hα-helixtrans-63.4-43.3173.3-73.1164.2000112.1G273 R279 M280 Y281G273-L277 PolarHBondContact O-N 3.38Å; L277-R279 VanDerWaalsContact C-N 3.3Å; L277-R279 PolarHBondContact O-N 2.82Å; L277-M280 PolarHBondContact O-N 2.86Å; L277-Y281 WeakPolarHBondContact O-CD2 3.49Å; L277-Y281 PolarHBondContact O-N 2.96Å
278R66.3Low60.5Low157 Ų157103.5 Ų103.559%0.59253%0.53SS*.Hα-helixtrans-60.3-37.9171.3-79.2177.4-171.5-134.62.2112.2Y274 Y281 T282Y274-R278 HydrophobicContact CD1-CG 3.97Å; Y274-R278 HydrophobicContact CE1-CG 4.13Å; Y274-R278 WeakPolarHBondContact O-CB 3.17Å; Y274-R278 VanDerWaalsContact O-CG 3.25Å; Y274-R278 WeakPolarHBondContact O-CG 3.27Å; Y274-R278 PolarHBondContact O-N 3.35Å; R278-Y281 CarbonylContact O-C 3.57Å; R278-Y281 PolarHBondContact O-N 3.25Å; R278-T282 WeakPolarHBondContact O-CB 3.48Å; R278-T282 PolarHBondContact O-N 3.48Å; R278-T282 PolarHBondContact O-OG1 3.28Å
279R67.3Low60.7Low179 Ų179102.5 Ų102.568%0.67552%0.523SS*.Hα-helixtrans-66.5-41.1172.5-78.3178.7178.4170.2-0.6112.5N275 A276 L277 Y281 T282 D283N275-R279 WeakPolarHBondContact O-CB 3.23Å; N275-R279 WeakPolarHBondContact O-CG 3.43Å; N275-R279 PolarHBondContact O-N 2.8Å; A276-R279 CarbonylContact O-C 3.54Å; A276-R279 WeakPolarHBondContact O-CB 3.18Å; A276-R279 PolarHBondContact O-N 3.47Å; L277-R279 VanDerWaalsContact C-N 3.3Å; L277-R279 PolarHBondContact O-N 2.82Å; R279-Y281 VanDerWaalsContact C-N 3.26Å; R279-Y281 PolarHBondContact O-N 3.4Å; R279-T282 PolarHBondContact O-N 3.23Å; R279-T282 VanDerWaalsContact O-N 3.13Å; R279-D283 WeakPolarHBondContact O-CB 3.39Å; R279-D283 PolarHBondContact O-N 3.43Å
280M59.6Low60.6Low116 Ų116101.5 Ų101.557%0.57151%0.513SS*.Iπ-helixtrans-59.6-39.1171.3-67.6-60.3-163.800111.6A276 L277 I284 Q285A276-M280 PolarHBondContact O-N 3.27Å; L277-M280 PolarHBondContact O-N 2.86Å; M280-I284 WeakPolarHBondContact O-CA 3.26Å; M280-I284 VanDerWaalsContact O-CB 3.25Å; M280-I284 WeakPolarHBondContact O-CB 3.41Å; M280-I284 PolarHBondContact O-N 2.86Å; M280-I284 VanDerWaalsContact O-N 3.14Å; M280-I284 HydrophobicContact SD-CD1 3.56Å; M280-I284 VanDerWaalsContact SD-CD1 3.56Å; M280-I284 HydrophobicContact SD-CG1 4.39Å; M280-Q285 PolarHBondContact O-N 3.06Å
281Y56Low60.6Low144 Ų14499.8 Ų99.857%0.56551%0.506SS*.Iπ-helixtrans-66.6-37.8173.2-90-112.8000113L277 R278 R279 Q285 E286L277-Y281 WeakPolarHBondContact O-CD2 3.49Å; L277-Y281 PolarHBondContact O-N 2.96Å; R278-Y281 CarbonylContact O-C 3.57Å; R278-Y281 PolarHBondContact O-N 3.25Å; R279-Y281 VanDerWaalsContact C-N 3.26Å; R279-Y281 PolarHBondContact O-N 3.4Å; Y281-Q285 CarbonylContact O-C 3.55Å; Y281-Q285 WeakPolarHBondContact O-CA 3.43Å; Y281-Q285 VanDerWaalsContact O-CB 3.27Å; Y281-Q285 WeakPolarHBondContact O-CB 3.37Å; Y281-Q285 PolarHBondContact O-N 3.26Å; Y281-Q285 VanDerWaalsContact O-N 3.13Å; Y281-E286 PolarHBondContact O-N 2.81Å
282T67.2Low61.2Low75 Ų7594.8 Ų94.846%0.4648%0.476SS..Iπ-helixtrans-88.3-38.4-175.8-71.50000114.6R278 R279 E286 P287R278-T282 WeakPolarHBondContact O-CB 3.48Å; R278-T282 PolarHBondContact O-N 3.48Å; R278-T282 PolarHBondContact O-OG1 3.28Å; R279-T282 PolarHBondContact O-N 3.23Å; R279-T282 VanDerWaalsContact O-N 3.13Å; T282-E286 VanDerWaalsContact CA-OE2 3.29Å; T282-E286 WeakPolarHBondContact CA-OE2 3.39Å; T282-E286 VanDerWaalsContact CB-OE2 3.22Å; T282-E286 WeakPolarHBondContact CB-OE2 3.47Å; T282-E286 WeakPolarHBondContact CG2-OE2 3.35Å; T282-E286 PolarHBondContact OG1-OE2 2.96Å; T282-P287 WeakPolarHBondContact O-CD 3.49Å
283D64.5Low61.2Low121 Ų121101.6 Ų101.665%0.64749%0.49SS*.Iπ-helixtrans-86.4-20.9178.1-86.1-79.1000113.1R279 P287R279-D283 WeakPolarHBondContact O-CB 3.39Å; R279-D283 PolarHBondContact O-N 3.43Å; D283-P287 WeakPolarHBondContact O-CG 3.48Å
284I58.5Low61.2Low96 Ų96107.8 Ų107.849%0.49252%0.516SS..Iπ-helixtrans-116-54.7178.3-47.2-177.3000111.4M280 P287 M288M280-I284 WeakPolarHBondContact O-CA 3.26Å; M280-I284 VanDerWaalsContact O-CB 3.25Å; M280-I284 WeakPolarHBondContact O-CB 3.41Å; M280-I284 PolarHBondContact O-N 2.86Å; M280-I284 VanDerWaalsContact O-N 3.14Å; M280-I284 HydrophobicContact SD-CD1 3.56Å; M280-I284 VanDerWaalsContact SD-CD1 3.56Å; M280-I284 HydrophobicContact SD-CG1 4.39Å; I284-P287 WeakPolarHBondContact O-CD 3.42Å; I284-P287 WeakPolarHBondContact O-CG 3.42Å; I284-M288 WeakPolarHBondContact O-CB 3.3Å; I284-M288 PolarHBondContact O-N 3.32Å
285Q55.3Low61.1Low96 Ų96106.6 Ų106.645%0.44952%0.517SS..Iπ-helixtrans-76-38.8-172.2-168.2173.4-2200114.2M280 Y281 M288 F289M280-Q285 PolarHBondContact O-N 3.06Å; Y281-Q285 CarbonylContact O-C 3.55Å; Y281-Q285 WeakPolarHBondContact O-CA 3.43Å; Y281-Q285 VanDerWaalsContact O-CB 3.27Å; Y281-Q285 WeakPolarHBondContact O-CB 3.37Å; Y281-Q285 PolarHBondContact O-N 3.26Å; Y281-Q285 VanDerWaalsContact O-N 3.13Å; Q285-M288 PolarHBondContact O-N 3.16Å; Q285-F289 WeakPolarHBondContact O-CB 3.15Å; Q285-F289 PolarHBondContact O-N 3.15Å
286E58.9Low60.2Low106 Ų106108.7 Ų108.750%0.49552%0.521SS..Hα-helixtrans-60.8-44.5172.6-73.5-175.177.200112.7Y281 T282 F289 T290Y281-E286 PolarHBondContact O-N 2.81Å; T282-E286 VanDerWaalsContact CA-OE2 3.29Å; T282-E286 WeakPolarHBondContact CA-OE2 3.39Å; T282-E286 VanDerWaalsContact CB-OE2 3.22Å; T282-E286 WeakPolarHBondContact CB-OE2 3.47Å; T282-E286 WeakPolarHBondContact CG2-OE2 3.35Å; T282-E286 PolarHBondContact OG1-OE2 2.96Å; E286-F289 PolarHBondContact O-N 3.36Å; E286-T290 VanDerWaalsContact O-CB 3.25Å; E286-T290 WeakPolarHBondContact O-CB 3.38Å; E286-T290 PolarHBondContact O-N 2.81Å; E286-T290 PolarHBondContact O-OG1 2.92Å
287P57.3Low59.1Low30 Ų30108.1 Ų108.120%0.19552%0.521CS..Hα-helixtrans-68.5-31.5172.916.4-24.4000114.1T282 D283 I284 A291T282-P287 WeakPolarHBondContact O-CD 3.49Å; D283-P287 WeakPolarHBondContact O-CG 3.48Å; I284-P287 WeakPolarHBondContact O-CD 3.42Å; I284-P287 WeakPolarHBondContact O-CG 3.42Å; P287-A291 VanDerWaalsContact O-CB 3.27Å; P287-A291 WeakPolarHBondContact O-CB 3.35Å; P287-A291 PolarHBondContact O-N 2.94Å
288M58Low58.2Low136 Ų136110.9 Ų110.967%0.6754%0.536SS*.Hα-helixtrans-69.3-40.9173.3-139.9-79.2-169.200111.2I284 Q285 A292I284-M288 WeakPolarHBondContact O-CB 3.3Å; I284-M288 PolarHBondContact O-N 3.32Å; Q285-M288 PolarHBondContact O-N 3.16Å; M288-A292 WeakPolarHBondContact O-CB 3.42Å; M288-A292 PolarHBondContact O-N 2.71Å
289F61.5Low57.1Low140 Ų140107.7 Ų107.761%0.61453%0.531SS*.Hα-helixtrans-71.6-32.3175.8-169.6-98.4000112.2Q285 E286 R293Q285-F289 WeakPolarHBondContact O-CB 3.15Å; Q285-F289 PolarHBondContact O-N 3.15Å; E286-F289 PolarHBondContact O-N 3.36Å; F289-R293 WeakPolarHBondContact O-CB 3.47Å; F289-R293 PolarHBondContact O-N 3.32Å
290T63.9Low56.4Low66 Ų66104 Ų10441%0.40553%0.53SS..Hα-helixtrans-70.3-49.6172.8-57.50000110.2E286 A292 R293 E294E286-T290 VanDerWaalsContact O-CB 3.25Å; E286-T290 WeakPolarHBondContact O-CB 3.38Å; E286-T290 PolarHBondContact O-N 2.81Å; E286-T290 PolarHBondContact O-OG1 2.92Å; T290-A292 VanDerWaalsContact C-N 3.32Å; T290-A292 PolarHBondContact O-N 3.45Å; T290-R293 CarbonylContact O-C 3.5Å; T290-R293 WeakPolarHBondContact O-CA 3.12Å; T290-R293 PolarHBondContact O-N 2.85Å; T290-E294 HydrophobicContact CG2-CG 4.47Å; T290-E294 WeakPolarHBondContact O-CG 3.36Å; T290-E294 PolarHBondContact O-N 3.36Å
291A57.9Low55.6Low28 Ų28106.3 Ų106.323%0.23154%0.537CS..Hα-helixtrans-58.8-42.8174.400000111.9P287 R293 E294 Q295P287-A291 VanDerWaalsContact O-CB 3.27Å; P287-A291 WeakPolarHBondContact O-CB 3.35Å; P287-A291 PolarHBondContact O-N 2.94Å; A291-R293 PolarHBondContact O-N 2.79Å; A291-E294 PolarHBondContact O-N 3.32Å; A291-Q295 WeakPolarHBondContact O-CB 3.16Å; A291-Q295 WeakPolarHBondContact O-CG 3.43Å; A291-Q295 PolarHBondContact O-N 3.19Å
292A57.3Low55.2Low32 Ų32103.5 Ų103.526%0.26454%0.539SS..Hα-helixtrans-64.6-37.1172.800000112.3M288 T290 E294 F296M288-A292 WeakPolarHBondContact O-CB 3.42Å; M288-A292 PolarHBondContact O-N 2.71Å; T290-A292 VanDerWaalsContact C-N 3.32Å; T290-A292 PolarHBondContact O-N 3.45Å; A292-E294 VanDerWaalsContact C-N 3.32Å; A292-F296 HydrophobicContact CB-CD2 4.49Å; A292-F296 WeakPolarHBondContact O-CA 3.39Å; A292-F296 VanDerWaalsContact O-CB 3.25Å; A292-F296 WeakPolarHBondContact O-CB 3.5Å; A292-F296 WeakPolarHBondContact O-CD2 3.41Å; A292-F296 PolarHBondContact O-N 3.42Å
293R59.4Low54.3Low181 Ų181104 Ų10468%0.68355%0.545SS*.Hα-helixtrans-74.4-19175.2179.6174.6161.693.61113F289 T290 A291 G297F289-R293 WeakPolarHBondContact O-CB 3.47Å; F289-R293 PolarHBondContact O-N 3.32Å; T290-R293 CarbonylContact O-C 3.5Å; T290-R293 WeakPolarHBondContact O-CA 3.12Å; T290-R293 PolarHBondContact O-N 2.85Å; A291-R293 PolarHBondContact O-N 2.79Å; R293-G297 WeakPolarHBondContact O-CA 3.36Å; R293-G297 PolarHBondContact O-N 3.05Å
294E60.8Low53.6Low140 Ų140105.2 Ų105.265%0.65455%0.551SS**Hα-helixtrans-88-33.9171.9-70.5177131.400111.4T290 A291 A292T290-E294 HydrophobicContact CG2-CG 4.47Å; T290-E294 WeakPolarHBondContact O-CG 3.36Å; T290-E294 PolarHBondContact O-N 3.36Å; A291-E294 PolarHBondContact O-N 3.32Å; A292-E294 VanDerWaalsContact C-N 3.32Å
295Q53.7Low53.3Low142 Ų142105.1 Ų105.166%0.66457%0.565SS**Hα-helixtrans-76.8-41173.1-69.3-172.8-74.700113.6A291A291-Q295 WeakPolarHBondContact O-CB 3.16Å; A291-Q295 WeakPolarHBondContact O-CG 3.43Å; A291-Q295 PolarHBondContact O-N 3.19Å
296F48.4Very low52.4Low151 Ų151103.4 Ų103.466%0.66257%0.572SS**SBendtrans-103.4-9.9-178.6-65.9-91.4000113.8A292 N298A292-F296 HydrophobicContact CB-CD2 4.49Å; A292-F296 WeakPolarHBondContact O-CA 3.39Å; A292-F296 VanDerWaalsContact O-CB 3.25Å; A292-F296 WeakPolarHBondContact O-CB 3.5Å; A292-F296 WeakPolarHBondContact O-CD2 3.41Å; A292-F296 PolarHBondContact O-N 3.42Å; F296-N298 PolarHBondContact O-N 2.92Å
297G44.6Very low51.4Low48 Ų48105.5 Ų105.550%0.49559%0.587SS.*SBendtrans-72.6-10.1172.500000113.7R293 N299R293-G297 WeakPolarHBondContact O-CA 3.36Å; R293-G297 PolarHBondContact O-N 3.05Å; G297-N299 PolarHBondContact O-N 3.36Å
298N46.1Very low50.4Low144 Ų144109.2 Ų109.277%0.7761%0.614SS**  trans-74.746.7169.1-139.181.8000111.3F296 P300F296-N298 PolarHBondContact O-N 2.92Å; N298-P300 WeakPolarHBondContact O-CD 3.37Å
299N42.2Very low49.3Very low91 Ų91109.5 Ų109.549%0.48762%0.618SS.*  trans-79.9111.8-167.5-165.7-0.2000109.9G297 F301 S302G297-N299 PolarHBondContact O-N 3.36Å; N299-F301 PolarHBondContact O-N 3.28Å; N299-S302 PolarHBondContact O-N 2.75Å
300P52.5Low47.9Very low101 Ų101108.9 Ų108.966%0.65662%0.621SS**THydrogen-bonded Turntrans-66.7-11.5-166.426.7-36000114.2N298 S303N298-P300 WeakPolarHBondContact O-CD 3.37Å; P300-S303 PolarHBondContact O-OG 3.43Å
301F43.4Very low46.5Very low164 Ų164110 Ų11072%0.71963%0.632SS**THydrogen-bonded Turntrans-70.1-33.9173.1-160.3-104.5000112.6N299 S303 L304N299-F301 PolarHBondContact O-N 3.28Å; F301-S303 VanDerWaalsContact C-N 3.31Å; F301-S303 PolarHBondContact O-N 3.26Å; F301-L304 PolarHBondContact O-N 3.26Å; F301-L304 VanDerWaalsContact O-N 3.13Å
302S47Very low45.3Very low86 Ų86113.9 Ų113.960%0.60166%0.657SS**G310 helixtrans-69.5-27.8-179.7-640000113N299 L304N299-S302 PolarHBondContact O-N 2.75Å; S302-L304 PolarHBondContact O-N 2.67Å
303S48.5Very low44.2Very low84 Ų84117.4 Ų117.459%0.58768%0.68SS**G310 helixtrans-68.5-16.3171.925.60000114.2P300 F301P300-S303 PolarHBondContact O-OG 3.43Å; F301-S303 VanDerWaalsContact C-N 3.31Å; F301-S303 PolarHBondContact O-N 3.26Å
304L51.4Low43.4Very low147 Ų147117.8 Ų117.877%0.7769%0.689SS**G310 helixtrans-88.7-15.7-177.8-146.174.2000113.7F301 S302F301-L304 PolarHBondContact O-N 3.26Å; F301-L304 VanDerWaalsContact O-N 3.13Å; S302-L304 PolarHBondContact O-N 2.67Å
305A51Low42.5Very low95 Ų95116.1 Ų116.179%0.78569%0.691SS**SBendtrans-104.42.2-176.900000114.2
306G36.9Very low41.9Very low59 Ų59116.2 Ų116.261%0.60870%0.695SS**  trans-122.25.5-170.500000116.6S308G306-S308 VanDerWaalsContact C-N 3.28Å; G306-S308 PolarHBondContact O-N 3.46Å
307N37.9Very low41.6Very low150 Ų150120.7 Ų120.780%0.80271%0.707SS**  trans-91.246.5-176.1-158.3101.5000112.9
308S36.3Very low41.6Very low109 Ų109124.8 Ų124.876%0.76272%0.723SS**SBendtrans-147.4126.7175.2-69.40000109.7G306G306-S308 VanDerWaalsContact C-N 3.28Å; G306-S308 PolarHBondContact O-N 3.46Å
309D33.7Very low41.6Very low142 Ų142126.6 Ų126.676%0.75973%0.727SS**  trans51.5111.2-168-85.4-102000115.8
310N32.9Very low42.1Very low126 Ų126128.3 Ų128.367%0.67474%0.736SS**  79.8123.461.1177.831.6000113.2
311S34.2Very low42.3Very low90 Ų90135.1 Ų135.163%0.62975%0.749SS**  trans63.7114.7162.8-67.40000120.1
312S32.8Very low42.8Very low109 Ų109134.8 Ų134.876%0.76275%0.75SS**  trans75.9140.5139.970.20000121.7
313S34.5Very low43.6Very low106 Ų106136.7 Ų136.774%0.74176%0.76SS**  trans66.8139.7159.852.70000120.5
314Q43Very low44.6Very low190 Ų190139.9 Ų139.989%0.88877%0.769SS**  trans-59.8146159.1-65.8177.4-45.200110.2
315P42.6Very low45.1Very low105 Ų105138.6 Ų138.668%0.68277%0.77SS**  -145.4158.8125.127.1-7.2000116.3
316L39.5Very low45.7Very low144 Ų144138.3 Ų138.375%0.75476%0.755SS**  trans38.3122.3146.5-7854.8000119.2
317R41.9Very low46.9Very low244 Ų244140.9 Ų140.992%0.92176%0.761SS**  50.676.771.6-67-173.2168.5-174.6-3.5114.2
318T44.6Very low47.9Very low135 Ų135144.6 Ų144.683%0.82876%0.764SS**  trans-130.3116.7158.8-64.20000108.6
319E47Very low48.8Very low182 Ų182142.7 Ų142.785%0.8575%0.751SS**  trans-72.3142170.9-70.1171.38100110.2R321E319-R321 PolarHBondContact O-N 2.85Å
320N51.9Low49.9Very low127 Ų127142 Ų14268%0.67975%0.754SS**  trans-70.4103.9-179.4-17091.3000110.4E322N320-E322 PolarHBondContact ND2-O 3.08Å
321R56.5Low51.1Low243 Ų243141.3 Ų141.392%0.91776%0.759SS**  trans-943.7-166.3-142.6173.5-172167.73.2115.1E319E319-R321 PolarHBondContact O-N 2.85Å
322E55.5Low52.1Low158 Ų158142 Ų14274%0.73876%0.762SS**SBendtrans-107.5132.6178.5-68.5175.891.900110.4N320 L324N320-E322 PolarHBondContact ND2-O 3.08Å; E322-L324 PolarHBondContact O-N 2.9Å
323P63.1Low52.7Low125 Ų125142.6 Ų142.681%0.81276%0.762SS**PPolyproline II helixtrans-71.8122.3177.129.5-32.9000110.1
324L68.8Low53.3Low151 Ų151144.3 Ų144.379%0.79177%0.769SS**PPolyproline II helixtrans-62.1140.8173.8-71.3123.3000110.4E322E322-L324 PolarHBondContact O-N 2.9Å
325P62.4Low53.2Low120 Ų120139.7 Ų139.778%0.77976%0.758SS**PPolyproline II helixtrans-64.1138.4-177.826.5-34.6000111.3P327P325-P327 WeakPolarHBondContact O-CD 3.34Å
326N63.9Low53.1Low89 Ų89143.8 Ų143.848%0.47677%0.768SS.*  trans-68.3115.9-175.7178.811.1000111.5W328 S329N326-W328 PolarHBondContact O-N 2.76Å; N326-W328 VanDerWaalsContact O-N 3.14Å; N326-W328 WeakPolarHBondContact OD1-CB 3.49Å; N326-W328 PolarHBondContact OD1-N 3.31Å; N326-S329 PolarHBondContact O-N 2.98Å; N326-S329 PolarHBondContact O-OG 3.19Å; N326-S329 VanDerWaalsContact O-OG 3.05Å
327P62.3Low53.2Low113 Ų113141.7 Ų141.773%0.73477%0.771SS**THydrogen-bonded Turntrans-68.7-10.4179.130.3-36.6000113.7P325P325-P327 WeakPolarHBondContact O-CD 3.34Å
328W59.1Low53.3Low228 Ų228136 Ų13686%0.86477%0.766SS**THydrogen-bonded Turntrans-965.1177.4-60.8-56.7000114.5N326 P330N326-W328 PolarHBondContact O-N 2.76Å; N326-W328 VanDerWaalsContact O-N 3.14Å; N326-W328 WeakPolarHBondContact OD1-CB 3.49Å; N326-W328 PolarHBondContact OD1-N 3.31Å; W328-P330 WeakPolarHBondContact O-CD 3.48Å
329S53.5Low53Low70 Ų70133 Ų13349%0.4976%0.761SS.*SBendtrans-80.1120.6166.260.30000110.3N326 S331N326-S329 PolarHBondContact O-N 2.98Å; N326-S329 PolarHBondContact O-OG 3.19Å; N326-S329 VanDerWaalsContact O-OG 3.05Å; S329-S331 PolarHBondContact O-N 2.97Å
330P56.9Low52.7Low126 Ų126130.5 Ų130.582%0.81876%0.764SS**PPolyproline II helixtrans-71.1116.1-178.827.9-33.8000111.4W328W328-P330 WeakPolarHBondContact O-CD 3.48Å
331S59.9Low52.1Low112 Ų112128.7 Ų128.778%0.78378%0.775SS**PPolyproline II helixtrans-64.1130173.5-60.30000111.1S329S329-S331 PolarHBondContact O-N 2.97Å
332P55Low51.1Low106 Ų106120.4 Ų120.469%0.68877%0.766SS**PPolyproline II helixtrans-75.5146.7-17529.7-35.3000112.9T334P332-T334 PolarHBondContact O-N 3.4Å
333P45.2Very low50.3Low120 Ų120123 Ų12378%0.77978%0.778SS**  trans-82.295.817932.3-34.2000112.2S335P333-S335 PolarHBondContact O-N 3.32Å
334T45.7Very low49.1Very low142 Ų142120.3 Ų120.387%0.87177%0.773SS**  trans-71.3125.8175-50.80000111.2P332P332-T334 PolarHBondContact O-N 3.4Å
335S42.1Very low47.4Very low94 Ų94120.4 Ų120.466%0.65778%0.78SS**  trans-108.6168-174.1-62.80000113.3P333P333-S335 PolarHBondContact O-N 3.32Å
336Q39.6Very low46Very low191 Ų191118.4 Ų118.489%0.89378%0.781SS**  trans73.2147.9168.2-63.6176.8-6.300115.4
337A42.3Very low44.5Very low99 Ų99117.7 Ų117.782%0.81880%0.795SS**  cis-135.9156.332.100000116.4
338P43.3Very low43.1Very low125 Ų125119 Ų11981%0.81281%0.807SS**  trans-104.2170.2179.140.5-35.1000114.3
339G39.1Very low41.8Very low72 Ų72111.8 Ų111.874%0.74280%0.803SS**  trans-163.9118.2172.100000117.3
340S40.2Very low40.6Very low130 Ų130114.9 Ų114.991%0.90982%0.819SS**  trans73.282.9143.2-52.80000122.7
341G38.8Very low39.4Very low88 Ų88113.6 Ų113.691%0.90781%0.813SS**  trans79147.3140.200000119.2
342G36.5Very low38.2Very low70 Ų70116.9 Ų116.972%0.72282%0.816SS**  cis174.7143.2-800000112
343E37.6Very low37Very low211 Ų211117.9 Ų117.999%0.98682%0.82SS**  trans57.1132.9172.4-61.7174.576.500117.9
344G38.8Very low36.3Very low70 Ų70120.5 Ų120.572%0.72282%0.822SS**  cis-178.5160-5.400000112
345T32.5Very low35.7Very low152 Ų152119.4 Ų119.493%0.93382%0.817SS**  trans9.3129.9162-47.50000119.6
346G32.6Very low35.3Very low78 Ų78120.6 Ų120.680%0.80482%0.821SS**  cis151.2131.50.600000111.8
347G33.8Very low35.2Very low75 Ų75118.6 Ų118.677%0.77382%0.821SS**  trans169.9126.3179.100000111.8G349G347-G349 PolarHBondContact O-N 3.03Å
348S32.2Very low34.8Very low141 Ų141118.8 Ų118.899%0.98682%0.817SS**  trans-47.7113.8-165.3-54.50000115.2
349G31.3Very low34.8Very low75 Ų75118.5 Ų118.577%0.77381%0.808SS**  trans-108.7151.7-178.400000114.4G347G347-G349 PolarHBondContact O-N 3.03Å
350T29.5Very low34.7Very low135 Ų135120.4 Ų120.483%0.82881%0.808SS**  trans-74.1164.5169.7-30.80000111.7
351S31.2Very low34.6Very low99 Ų99121.6 Ų121.669%0.69280%0.797SS**  trans82.7130.1154.5-56.20000120.2
352Q34.4Very low34.6Very low181 Ų181120.9 Ų120.985%0.84679%0.789SS**  trans26.4129.2138.1-62.4180-31.800120.2
353V29.6Very low35.2Very low128 Ų128124.7 Ų124.778%0.77679%0.791SS**  -163.3147.594.3-94.70000112.2
354H30.8Very low35.2Very low174 Ų174121.3 Ų121.381%0.80678%0.78SS**SBendtrans140.9133.7142.7-91.2-100.4000113
355P33.2Very low35.5Very low120 Ų120122.7 Ų122.778%0.77979%0.785SS**  cis-112.9164.2-29.738.3-27000112
356T33.6Very low36.2Very low119 Ų119120.1 Ų120.173%0.7378%0.779SS**  trans-89.1138.9168.8-1780000111
357V37.4Very low36.9Very low149 Ų149121 Ų12190%0.90377%0.773SS**  trans-135.8119.8136.4-176.80000108.1
358S33.5Very low37.5Very low103 Ų103125 Ų12572%0.7278%0.776SS**  trans-49.9142.9-170.1-50.30000117.7
359N44.2Very low38.5Very low119 Ų119121.8 Ų121.864%0.63677%0.765SS**  trans-73.2155.4163.3-169.342.6000111.9F361N359-F361 PolarHBondContact ND2-O 3.49Å
360P37.1Very low39.3Very low112 Ų112124.1 Ų124.173%0.72777%0.769SS**SBendtrans-113.1-27.1161.833.6-26000115.2
361F37.8Very low40.2Very low155 Ų155120.9 Ų120.968%0.6876%0.762SS**  trans-113.6102.6-176.4-78.7-81.1000111.8N359N359-F361 PolarHBondContact ND2-O 3.49Å
362G39.4Very low41.2Very low73 Ų73123.4 Ų123.475%0.75377%0.765SS**  trans-89.1113173.100000111.2
363I48.3Very low41.8Very low149 Ų149123.8 Ų123.876%0.76476%0.764SS**  trans-128.2119.4171.9-53.7-179.8000107.9
364N37.8Very low42.7Very low140 Ų140124 Ų12475%0.74976%0.761SS**  trans-92147.5-175.7-163.6-4.1000111.2A366 S367N364-A366 PolarHBondContact O-N 3.44Å; N364-S367 PolarHBondContact O-N 3.32Å
365A46.1Very low43.4Very low99 Ų99117.8 Ų117.882%0.81874%0.737SS**THydrogen-bonded Turntrans-68.32.9-165.400000116.1
366A47Very low44.6Very low99 Ų99116.8 Ų116.882%0.81873%0.731SS**THydrogen-bonded Turntrans-94.3-6.7-179.400000114.7N364N364-A366 PolarHBondContact O-N 3.44Å
367S47.1Very low45.8Very low96 Ų96119 Ų11967%0.67173%0.733SS**SBendtrans-93.3-12-170.6-153.90000115.1N364 G369N364-S367 PolarHBondContact O-N 3.32Å; S367-G369 VanDerWaalsContact C-N 3.33Å; S367-G369 PolarHBondContact O-N 2.85Å
368L46.9Very low47Very low159 Ų159115.8 Ų115.883%0.83271%0.709SS**THydrogen-bonded Turntrans-84.74.6-164.1-123.4159.8000115.1
369G51.7Low48.3Very low73 Ų73116 Ų11675%0.75370%0.699SS**THydrogen-bonded Turntrans-86.4-17-170.200000117.2S367S367-G369 VanDerWaalsContact C-N 3.33Å; S367-G369 PolarHBondContact O-N 2.85Å
370S48.9Very low49.4Very low124 Ų124113 Ų11387%0.86769%0.691SS**SBendtrans-119.2-5.8-157.1-48.30000116.5
371G48.5Very low50.8Low67 Ų67112.4 Ų112.469%0.69168%0.68SS**SBendtrans-107.1-14.3-169.600000116.7
372M51.7Low51.8Low153 Ų153110.9 Ų110.975%0.75468%0.679SS**THydrogen-bonded Turntrans-82.2-21.6-162.6-170.3169.9171.600114.9
373F46.4Very low52.9Low188 Ų188112.8 Ų112.883%0.82567%0.668SS**THydrogen-bonded Turntrans-92.95.2-169.7-103.6-81.9000115.8M378F373-M378 HydrophobicContact CD1-SD 4.02Å; F373-M378 HydrophobicContact CE1-SD 4.15Å
374N48.7Very low53.3Low132 Ų132111.2 Ų111.271%0.70666%0.658SS**SBendtrans-129.135.8-177.4-149.3-14.3000112.2Q379N374-Q379 PolarHBondContact OD1-NE2 3.18Å
375S47.1Very low54.3Low44 Ų44108.1 Ų108.131%0.30864%0.64SS.*  trans-87.7140.5177.556.70000111.3E377 M378 Q379S375-E377 PolarHBondContact O-N 2.88Å; S375-M378 PolarHBondContact O-N 3.44Å; S375-M378 WeakPolarHBondContact OG-CB 3.3Å; S375-Q379 PolarHBondContact O-N 3.03Å; S375-Q379 VanDerWaalsContact O-N 3.16Å
376P57.8Low55.3Low99 Ų99107.3 Ų107.364%0.64363%0.628SS**Hα-helixtrans-66.3-22.318025.9-33.9000113Q379 A380P376-Q379 PolarHBondContact O-N 3.44Å; P376-A380 WeakPolarHBondContact O-CB 3.11Å; P376-A380 PolarHBondContact O-N 2.93Å
377E58.2Low56.3Low167 Ų167109.3 Ų109.378%0.7862%0.621SS**Hα-helixtrans-69.4-34.6170.8-68.1-16011200112.7S375 Q379 A380 L381S375-E377 PolarHBondContact O-N 2.88Å; E377-Q379 VanDerWaalsContact C-N 3.32Å; E377-A380 PolarHBondContact O-N 3.5Å; E377-L381 WeakPolarHBondContact O-CB 3.08Å; E377-L381 PolarHBondContact O-N 3.49Å
378M62.6Low56.6Low80 Ų80107.7 Ų107.739%0.39461%0.605SS.*Hα-helixtrans-71.8-30.8172.8-173.3160.5-76.800111.5F373 S375 L382F373-M378 HydrophobicContact CD1-SD 4.02Å; F373-M378 HydrophobicContact CE1-SD 4.15Å; S375-M378 PolarHBondContact O-N 3.44Å; S375-M378 WeakPolarHBondContact OG-CB 3.3Å; M378-L382 WeakPolarHBondContact O-CB 3.4Å; M378-L382 PolarHBondContact O-N 3.03Å
379Q60.2Low57.5Low109 Ų109104.7 Ų104.751%0.50960%0.595SS.*Hα-helixtrans-66.3-42.2168.9-64.5176-1.100111.3N374 S375 P376 E377 L382 Q383N374-Q379 PolarHBondContact OD1-NE2 3.18Å; S375-Q379 PolarHBondContact O-N 3.03Å; S375-Q379 VanDerWaalsContact O-N 3.16Å; P376-Q379 PolarHBondContact O-N 3.44Å; E377-Q379 VanDerWaalsContact C-N 3.32Å; Q379-L382 PolarHBondContact O-N 3.28Å; Q379-Q383 WeakPolarHBondContact O-CB 2.9Å; Q379-Q383 PolarHBondContact O-N 3.48Å
380A67.8Low58.7Low56 Ų56108 Ų10846%0.46359%0.591SS.*Hα-helixtrans-64-39.4174.200000112.6P376 E377 Q383 Q384P376-A380 WeakPolarHBondContact O-CB 3.11Å; P376-A380 PolarHBondContact O-N 2.93Å; E377-A380 PolarHBondContact O-N 3.5Å; A380-Q383 WeakPolarHBondContact O-CB 3.49Å; A380-Q383 PolarHBondContact O-N 3Å; A380-Q384 WeakPolarHBondContact O-CB 3.49Å; A380-Q384 PolarHBondContact O-N 3.38Å
381L66Low59.7Low98 Ų98104.7 Ų104.751%0.51356%0.563SS.*Hα-helixtrans-64.9-40.5174.1-160.383.9000111.6E377 Q384 I385E377-L381 WeakPolarHBondContact O-CB 3.08Å; E377-L381 PolarHBondContact O-N 3.49Å; L381-Q384 PolarHBondContact O-N 2.88Å; L381-I385 HydrophobicContact CG-CD1 4.36Å; L381-I385 WeakPolarHBondContact O-CB 3.37Å; L381-I385 VanDerWaalsContact O-CG1 3.3Å; L381-I385 WeakPolarHBondContact O-CG1 3.43Å; L381-I385 PolarHBondContact O-N 2.87Å
382L59.3Low60.4Low124 Ų124106.9 Ų106.965%0.64956%0.556SS**Hα-helixtrans-67-37.8175-163.174000111.4M378 Q379 I385 S386M378-L382 WeakPolarHBondContact O-CB 3.4Å; M378-L382 PolarHBondContact O-N 3.03Å; Q379-L382 PolarHBondContact O-N 3.28Å; L382-I385 PolarHBondContact O-N 3.22Å; L382-S386 WeakPolarHBondContact O-CB 3.48Å; L382-S386 PolarHBondContact O-N 3.34Å; L382-S386 PolarHBondContact O-OG 2.82Å
383Q62.6Low60.8Low112 Ų112103.2 Ų103.252%0.52354%0.537SS..Hα-helixtrans-59.4-53.5172.3-154.183.588.400109.8Q379 A380 I385 S386 E387Q379-Q383 WeakPolarHBondContact O-CB 2.9Å; Q379-Q383 PolarHBondContact O-N 3.48Å; A380-Q383 WeakPolarHBondContact O-CB 3.49Å; A380-Q383 PolarHBondContact O-N 3Å; Q383-I385 VanDerWaalsContact C-N 3.27Å; Q383-I385 PolarHBondContact O-N 3.26Å; Q383-S386 WeakPolarHBondContact CA-OG 3.35Å; Q383-S386 CarbonylContact O-C 3.4Å; Q383-S386 WeakPolarHBondContact O-CA 3.32Å; Q383-S386 PolarHBondContact O-N 2.91Å; Q383-S386 PolarHBondContact O-OG 3.33Å; Q383-E387 HydrophobicContact CG-CG 4.4Å; Q383-E387 WeakPolarHBondContact CG-OE2 3.35Å; Q383-E387 WeakPolarHBondContact O-CG 3.44Å; Q383-E387 PolarHBondContact O-N 3.38Å
384Q57.4Low61.6Low116 Ų11699.3 Ų99.354%0.54253%0.525SS..Hα-helixtrans-62.6-28.7179.7-168176.1-82.400113.6A380 L381 N388A380-Q384 WeakPolarHBondContact O-CB 3.49Å; A380-Q384 PolarHBondContact O-N 3.38Å; L381-Q384 PolarHBondContact O-N 2.88Å; Q384-N388 WeakPolarHBondContact O-CB 3.3Å
385I59.2Low62.3Low76 Ų7696.7 Ų96.739%0.3951%0.514SS..Hα-helixtrans-75-36.2170.9-73.4167.3000111.3L381 L382 Q383L381-I385 HydrophobicContact CG-CD1 4.36Å; L381-I385 WeakPolarHBondContact O-CB 3.37Å; L381-I385 VanDerWaalsContact O-CG1 3.3Å; L381-I385 WeakPolarHBondContact O-CG1 3.43Å; L381-I385 PolarHBondContact O-N 2.87Å; L382-I385 PolarHBondContact O-N 3.22Å; Q383-I385 VanDerWaalsContact C-N 3.27Å; Q383-I385 PolarHBondContact O-N 3.26Å
386S66.3Low63Low81 Ų8197.5 Ų97.557%0.56651%0.514SS*.Hα-helixtrans-76.4-35.3178.572.70000114.3L382 Q383 N388L382-S386 WeakPolarHBondContact O-CB 3.48Å; L382-S386 PolarHBondContact O-N 3.34Å; L382-S386 PolarHBondContact O-OG 2.82Å; Q383-S386 WeakPolarHBondContact CA-OG 3.35Å; Q383-S386 CarbonylContact O-C 3.4Å; Q383-S386 WeakPolarHBondContact O-CA 3.32Å; Q383-S386 PolarHBondContact O-N 2.91Å; Q383-S386 PolarHBondContact O-OG 3.33Å; S386-N388 VanDerWaalsContact C-N 3.32Å
387E67.5Low63.4Low141 Ų14196.2 Ų96.266%0.65951%0.508SS*.Hα-helixtrans-77.9-19.3-179.8-71.2179109.100112.7Q383 P389Q383-E387 HydrophobicContact CG-CG 4.4Å; Q383-E387 WeakPolarHBondContact CG-OE2 3.35Å; Q383-E387 WeakPolarHBondContact O-CG 3.44Å; Q383-E387 PolarHBondContact O-N 3.38Å; E387-P389 VanDerWaalsContact C-CD 3.48Å; E387-P389 WeakPolarHBondContact O-CD 3.43Å
388N54.7Low63.9Low63 Ų6389.5 Ų89.534%0.33748%0.481SS..  trans-113.978.6-172.5-160.2-17.9000111.1Q384 S386 Q390 L391 M392Q384-N388 WeakPolarHBondContact O-CB 3.3Å; S386-N388 VanDerWaalsContact C-N 3.32Å; N388-Q390 PolarHBondContact O-N 3.44Å; N388-Q390 VanDerWaalsContact O-N 3.15Å; N388-L391 HydrophobicContact CB-CB 3.81Å; N388-L391 HydrophobicContact CB-CD1 4.45Å; N388-L391 WeakPolarHBondContact O-CA 3.4Å; N388-L391 VanDerWaalsContact O-CB 3.26Å; N388-L391 WeakPolarHBondContact O-CB 3.13Å; N388-L391 PolarHBondContact O-N 3.44Å; N388-L391 PolarHBondContact OD1-N 3.02Å; N388-M392 PolarHBondContact O-N 3.38Å
389P65.8Low64Low95 Ų9588.6 Ų88.662%0.61748%0.481SS*.Hα-helixtrans-62.9-21.8179.226.9-35.4000112.3E387 L391 M392 Q393E387-P389 VanDerWaalsContact C-CD 3.48Å; E387-P389 WeakPolarHBondContact O-CD 3.43Å; P389-L391 VanDerWaalsContact C-N 3.35Å; P389-M392 PolarHBondContact O-N 3.36Å; P389-Q393 VanDerWaalsContact O-CB 3.28Å; P389-Q393 WeakPolarHBondContact O-CB 3.44Å; P389-Q393 PolarHBondContact O-N 3.5Å
390Q75.3Confident64.5Low143 Ų14388.7 Ų88.767%0.66848%0.477SS*.Hα-helixtrans-68.6-32.9170-65.9-178.3-19.800112N388 Q393 N394N388-Q390 PolarHBondContact O-N 3.44Å; N388-Q390 VanDerWaalsContact O-N 3.15Å; Q390-Q393 WeakPolarHBondContact O-CB 3.46Å; Q390-Q393 PolarHBondContact O-N 2.8Å; Q390-N394 VanDerWaalsContact O-CB 3.27Å; Q390-N394 WeakPolarHBondContact O-CB 3.41Å; Q390-N394 PolarHBondContact O-N 3.02Å; Q390-N394 PolarHBondContact O-ND2 2.87Å; Q390-N394 PolarHBondContact O-OD1 3.25Å
391L71.2Confident64.5Low55 Ų5588.8 Ų88.829%0.28847%0.469SS..Hα-helixtrans-68.3-43.7173.8-157.6168000110.2N388 P389 Q393 N394 V395N388-L391 HydrophobicContact CB-CB 3.81Å; N388-L391 HydrophobicContact CB-CD1 4.45Å; N388-L391 WeakPolarHBondContact O-CA 3.4Å; N388-L391 VanDerWaalsContact O-CB 3.26Å; N388-L391 WeakPolarHBondContact O-CB 3.13Å; N388-L391 PolarHBondContact O-N 3.44Å; N388-L391 PolarHBondContact OD1-N 3.02Å; P389-L391 VanDerWaalsContact C-N 3.35Å; L391-Q393 VanDerWaalsContact C-N 3.34Å; L391-Q393 PolarHBondContact O-N 3.17Å; L391-N394 PolarHBondContact O-N 3.34Å; L391-V395 HydrophobicContact CD2-CG2 4.09Å; L391-V395 WeakPolarHBondContact O-CG2 3.3Å; L391-V395 PolarHBondContact O-N 3.46Å
392M61.7Low64.5Low112 Ų11291.9 Ų91.955%0.55247%0.474SS*.Hα-helixtrans-64.2-38.1171.8-164.5169.592.900112.1N388 P389 N394 V395 I396N388-M392 PolarHBondContact O-N 3.38Å; P389-M392 PolarHBondContact O-N 3.36Å; M392-N394 VanDerWaalsContact C-N 3.34Å; M392-N394 PolarHBondContact O-N 3.3Å; M392-V395 PolarHBondContact O-N 3.26Å; M392-I396 HydrophobicContact CE-CD1 4.15Å; M392-I396 HydrophobicContact CG-CD1 3.9Å; M392-I396 HydrophobicContact CG-CG1 4.47Å; M392-I396 WeakPolarHBondContact O-CB 3.41Å; M392-I396 VanDerWaalsContact O-CG1 3.28Å; M392-I396 WeakPolarHBondContact O-CG1 3.49Å; M392-I396 PolarHBondContact O-N 3.33Å
393Q59.9Low65.1Low76 Ų7687.4 Ų87.436%0.35545%0.452SS..Hα-helixtrans-61.8-40.3172.6-166.176.882.900111.7P389 Q390 L391 I396 S397P389-Q393 VanDerWaalsContact O-CB 3.28Å; P389-Q393 WeakPolarHBondContact O-CB 3.44Å; P389-Q393 PolarHBondContact O-N 3.5Å; Q390-Q393 WeakPolarHBondContact O-CB 3.46Å; Q390-Q393 PolarHBondContact O-N 2.8Å; L391-Q393 VanDerWaalsContact C-N 3.34Å; L391-Q393 PolarHBondContact O-N 3.17Å; Q393-I396 PolarHBondContact O-N 2.85Å; Q393-S397 VanDerWaalsContact O-CB 3.26Å; Q393-S397 WeakPolarHBondContact O-CB 3.48Å; Q393-S397 PolarHBondContact O-N 3.02Å; Q393-S397 PolarHBondContact O-OG 2.96Å
394N63.7Low65.4Low107 Ų10786.1 Ų86.157%0.57245%0.447SS*.Hα-helixtrans-70.7-33.7177.7-71.2-13.7000112.3Q390 L391 M392 A398Q390-N394 VanDerWaalsContact O-CB 3.27Å; Q390-N394 WeakPolarHBondContact O-CB 3.41Å; Q390-N394 PolarHBondContact O-N 3.02Å; Q390-N394 PolarHBondContact O-ND2 2.87Å; Q390-N394 PolarHBondContact O-OD1 3.25Å; L391-N394 PolarHBondContact O-N 3.34Å; M392-N394 VanDerWaalsContact C-N 3.34Å; M392-N394 PolarHBondContact O-N 3.3Å; N394-A398 WeakPolarHBondContact O-CA 3.31Å; N394-A398 WeakPolarHBondContact O-CB 3.37Å; N394-A398 PolarHBondContact O-N 2.68Å
395V63.4Low65.5Low77 Ų7783 Ų8347%0.46743%0.433SS..Hα-helixtrans-68.7-44.9170.6170.40000110.7L391 M392 A398 M401L391-V395 HydrophobicContact CD2-CG2 4.09Å; L391-V395 WeakPolarHBondContact O-CG2 3.3Å; L391-V395 PolarHBondContact O-N 3.46Å; M392-V395 PolarHBondContact O-N 3.26Å; V395-A398 VanDerWaalsContact O-CB 3.27Å; V395-A398 WeakPolarHBondContact O-CB 3.49Å; V395-A398 PolarHBondContact O-N 3.12Å; V395-M401 HydrophobicContact CG1-SD 4.31Å; V395-M401 WeakPolarHBondContact O-CB 3.34Å
396I62.2Low65.9Low60 Ų6084 Ų8431%0.30844%0.436SS..Hα-helixtrans-68.5-36.2-179.9-70.8169.7000112.2M392 Q393 M401M392-I396 HydrophobicContact CE-CD1 4.15Å; M392-I396 HydrophobicContact CG-CD1 3.9Å; M392-I396 HydrophobicContact CG-CG1 4.47Å; M392-I396 WeakPolarHBondContact O-CB 3.41Å; M392-I396 VanDerWaalsContact O-CG1 3.28Å; M392-I396 WeakPolarHBondContact O-CG1 3.49Å; M392-I396 PolarHBondContact O-N 3.33Å; Q393-I396 PolarHBondContact O-N 2.85Å; I396-M401 HydrophobicContact CB-CE 4.21Å; I396-M401 HydrophobicContact CG1-CE 4.19Å; I396-M401 HydrophobicContact CG1-SD 4.31Å; I396-M401 HydrophobicContact CG2-CE 4.2Å
397S65.6Low66Low73 Ų7381.6 Ų81.651%0.5142%0.418SS..THydrogen-bonded Turntrans-88.4-3.4176.161.50000113.9Q393Q393-S397 VanDerWaalsContact O-CB 3.26Å; Q393-S397 WeakPolarHBondContact O-CB 3.48Å; Q393-S397 PolarHBondContact O-N 3.02Å; Q393-S397 PolarHBondContact O-OG 2.96Å
398A69Low66.1Low26 Ų2676.9 Ų76.922%0.21540%0.397CS..  trans-55.9134.6177.300000109.8N394 V395 Y400 M401 R402N394-A398 WeakPolarHBondContact O-CA 3.31Å; N394-A398 WeakPolarHBondContact O-CB 3.37Å; N394-A398 PolarHBondContact O-N 2.68Å; V395-A398 VanDerWaalsContact O-CB 3.27Å; V395-A398 WeakPolarHBondContact O-CB 3.49Å; V395-A398 PolarHBondContact O-N 3.12Å; A398-Y400 PolarHBondContact O-N 3.45Å; A398-Y400 VanDerWaalsContact O-N 3.14Å; A398-M401 HydrophobicContact CB-CB 4.36Å; A398-M401 PolarHBondContact O-N 2.9Å; A398-R402 PolarHBondContact O-N 3.49Å
399P66.1Low66.8Low61 Ų6175 Ų7540%0.39639%0.39SS..Hα-helixtrans-56.9-34.5176.424-33.3000110.5R402 T403P399-R402 PolarHBondContact O-N 2.92Å; P399-T403 VanDerWaalsContact O-CB 3.3Å; P399-T403 WeakPolarHBondContact O-CB 3.37Å; P399-T403 PolarHBondContact O-N 3.14Å; P399-T403 PolarHBondContact O-OG1 3.23Å
400Y70.2Confident67.1Low110 Ų11076.3 Ų76.343%0.43139%0.388SS..Hα-helixtrans-63.3-42.3175.6-160.7-89.9000113.8L209 A398 M404L209-Y400 HydrophobicContact CD1-CD2 4.11Å; L209-Y400 HydrophobicContact CD2-CD2 3.84Å; L209-Y400 HydrophobicContact CD2-CE2 4.4Å; A398-Y400 PolarHBondContact O-N 3.45Å; A398-Y400 VanDerWaalsContact O-N 3.14Å; Y400-M404 WeakPolarHBondContact O-CB 3.33Å; Y400-M404 PolarHBondContact O-N 2.6Å
401M67.1Low66.9Low59 Ų5973.3 Ų73.329%0.29138%0.376SS..Hα-helixtrans-76.1-35.2177.8-154.4-157.881.900111.3V395 I396 A398 M404 M405V395-M401 HydrophobicContact CG1-SD 4.31Å; V395-M401 WeakPolarHBondContact O-CB 3.34Å; I396-M401 HydrophobicContact CB-CE 4.21Å; I396-M401 HydrophobicContact CG1-CE 4.19Å; I396-M401 HydrophobicContact CG1-SD 4.31Å; I396-M401 HydrophobicContact CG2-CE 4.2Å; A398-M401 HydrophobicContact CB-CB 4.36Å; A398-M401 PolarHBondContact O-N 2.9Å; M401-M404 PolarHBondContact O-N 2.82Å; M401-M405 WeakPolarHBondContact O-CB 3.48Å; M401-M405 PolarHBondContact O-N 3.15Å
402R66.5Low66.8Low162 Ų16274.2 Ų74.261%0.61139%0.385SS*.Hα-helixtrans-61.1-44.3171.2-168.7-178.2-173.3112.42.6111.3A398 P399 M405 Q406A398-R402 PolarHBondContact O-N 3.49Å; P399-R402 PolarHBondContact O-N 2.92Å; R402-M405 PolarHBondContact O-N 2.98Å; R402-Q406 WeakPolarHBondContact O-CB 3.29Å; R402-Q406 PolarHBondContact O-N 3.18Å
403T72.5Confident67.7Low31 Ų3175.2 Ų75.219%0.1939%0.393CS..Hα-helixtrans-66.6-45.5174.7-62.40000111.3D202 P399 M405 Q406 T407D202-T403 WeakPolarHBondContact OD2-CG2 3.16Å; P399-T403 VanDerWaalsContact O-CB 3.3Å; P399-T403 WeakPolarHBondContact O-CB 3.37Å; P399-T403 PolarHBondContact O-N 3.14Å; P399-T403 PolarHBondContact O-OG1 3.23Å; T403-M405 VanDerWaalsContact C-N 3.33Å; T403-M405 PolarHBondContact O-N 3.24Å; T403-Q406 CarbonylContact O-C 3.6Å; T403-Q406 PolarHBondContact O-N 3.26Å; T403-T407 VanDerWaalsContact O-CB 3.28Å; T403-T407 WeakPolarHBondContact O-CB 3.45Å; T403-T407 PolarHBondContact O-N 3.22Å; T403-T407 PolarHBondContact O-OG1 3.47Å; T403-T407 VanDerWaalsContact O-OG1 3.08Å
404M67.4Low68.3Low85 Ų8575.5 Ų75.542%0.41939%0.393SS..Hα-helixtrans-57.8-45.3174.4177170.9-82.300111.7Y400 M401 T407 L408Y400-M404 WeakPolarHBondContact O-CB 3.33Å; Y400-M404 PolarHBondContact O-N 2.6Å; M401-M404 PolarHBondContact O-N 2.82Å; M404-T407 PolarHBondContact O-N 3.23Å; M404-L408 VanDerWaalsContact O-CB 3.26Å; M404-L408 WeakPolarHBondContact O-CB 3.21Å; M404-L408 PolarHBondContact O-N 2.87Å
405M61Low68.5Low50 Ų5070.4 Ų70.425%0.24637%0.366CS..Hα-helixtrans-64.5-37.6177-178.2175.2176.200112.3M401 R402 T403 A409 M446 L452M401-M405 WeakPolarHBondContact O-CB 3.48Å; M401-M405 PolarHBondContact O-N 3.15Å; R402-M405 PolarHBondContact O-N 2.98Å; T403-M405 VanDerWaalsContact C-N 3.33Å; T403-M405 PolarHBondContact O-N 3.24Å; M405-A409 VanDerWaalsContact O-CB 3.3Å; M405-A409 WeakPolarHBondContact O-CB 3.45Å; M405-A409 PolarHBondContact O-N 3.05Å; M405-M446 HydrophobicContact CE-CB 3.75Å; M405-M446 HydrophobicContact CE-CE 4.12Å; M405-M446 HydrophobicContact CE-CG 4.14Å; M405-M446 HydrophobicContact CE-SD 3.64Å; M405-L452 HydrophobicContact CE-CD2 3.91Å
406Q67.1Low68.7Low97 Ų9768.7 Ų68.745%0.45336%0.36SS..Hα-helixtrans-76.8-34.6178-171.3157.9-30.100112.4R402 T403 A409 Q410R402-Q406 WeakPolarHBondContact O-CB 3.29Å; R402-Q406 PolarHBondContact O-N 3.18Å; T403-Q406 CarbonylContact O-C 3.6Å; T403-Q406 PolarHBondContact O-N 3.26Å; Q406-A409 CarbonylContact O-C 3.57Å; Q406-A409 WeakPolarHBondContact O-CB 3.23Å; Q406-A409 PolarHBondContact O-N 2.81Å; Q406-Q410 HydrophobicContact CG-CG 4.37Å; Q406-Q410 WeakPolarHBondContact O-CB 3.45Å; Q406-Q410 VanDerWaalsContact O-CG 3.25Å; Q406-Q410 WeakPolarHBondContact O-CG 3.5Å; Q406-Q410 PolarHBondContact O-N 3.16Å
407T68.3Low68.9Low30 Ų3071 Ų7118%0.18437%0.37CS..Hα-helixtrans-68.9-36.9171-65.40000110.9T403 M404 A409 Q410 N411 F414T403-T407 VanDerWaalsContact O-CB 3.28Å; T403-T407 WeakPolarHBondContact O-CB 3.45Å; T403-T407 PolarHBondContact O-N 3.22Å; T403-T407 PolarHBondContact O-OG1 3.47Å; T403-T407 VanDerWaalsContact O-OG1 3.08Å; M404-T407 PolarHBondContact O-N 3.23Å; T407-A409 VanDerWaalsContact C-N 3.26Å; T407-A409 PolarHBondContact O-N 3.22Å; T407-Q410 PolarHBondContact O-N 3.11Å; T407-N411 WeakPolarHBondContact O-CA 3.41Å; T407-N411 WeakPolarHBondContact O-CB 3.48Å; T407-N411 PolarHBondContact O-N 3.14Å; T407-F414 HydrophobicContact CG2-CD1 3.77Å; T407-F414 HydrophobicContact CG2-CE1 4.04Å; T407-F414 HydrophobicContact CG2-CG 4.37Å
408L68.8Low68.7Low43 Ų4370.3 Ų70.323%0.22536%0.359CS..Hα-helixtrans-64.3-31.5169.2-155.581.2000112M404 A415 M418M404-L408 VanDerWaalsContact O-CB 3.26Å; M404-L408 WeakPolarHBondContact O-CB 3.21Å; M404-L408 PolarHBondContact O-N 2.87Å; L408-A415 HydrophobicContact CD1-CB 3.41Å; L408-A415 VanDerWaalsContact CD1-CB 3.41Å; L408-A415 HydrophobicContact CG-CB 3.74Å; L408-M418 HydrophobicContact CD1-CE 3.66Å
409A69.3Low68.2Low22 Ų2270.8 Ų70.818%0.18236%0.357CS..Hα-helixtrans-82.1-29.2178.400000114.3M405 Q406 T407 L443M405-A409 VanDerWaalsContact O-CB 3.3Å; M405-A409 WeakPolarHBondContact O-CB 3.45Å; M405-A409 PolarHBondContact O-N 3.05Å; Q406-A409 CarbonylContact O-C 3.57Å; Q406-A409 WeakPolarHBondContact O-CB 3.23Å; Q406-A409 PolarHBondContact O-N 2.81Å; T407-A409 VanDerWaalsContact C-N 3.26Å; T407-A409 PolarHBondContact O-N 3.22Å; A409-L443 HydrophobicContact CB-CD2 3.7Å
410Q72.8Confident68.3Low124 Ų12471.2 Ų71.258%0.57936%0.358SS*.Hα-helixtrans-92.5-32.1-179.8-71.3176.5-8.100112.4Q406 T407 P412Q406-Q410 HydrophobicContact CG-CG 4.37Å; Q406-Q410 WeakPolarHBondContact O-CB 3.45Å; Q406-Q410 VanDerWaalsContact O-CG 3.25Å; Q406-Q410 WeakPolarHBondContact O-CG 3.5Å; Q406-Q410 PolarHBondContact O-N 3.16Å; T407-Q410 PolarHBondContact O-N 3.11Å; Q410-P412 VanDerWaalsContact O-CD 3.32Å; Q410-P412 WeakPolarHBondContact O-CD 3.2Å
411N72Confident68Low80 Ų8071.6 Ų71.643%0.42837%0.368SS..  trans-11684.9179.2-62.5-65.7000110.4T407 D413 F414 A415T407-N411 WeakPolarHBondContact O-CA 3.41Å; T407-N411 WeakPolarHBondContact O-CB 3.48Å; T407-N411 PolarHBondContact O-N 3.14Å; N411-D413 PolarHBondContact O-N 2.95Å; N411-F414 HydrophobicContact CB-CB 3.49Å; N411-F414 VanDerWaalsContact CB-CB 3.49Å; N411-F414 WeakPolarHBondContact O-CB 3.33Å; N411-F414 PolarHBondContact O-N 3.34Å; N411-A415 PolarHBondContact O-N 3.04Å
412P69.1Low67.8Low73 Ų7371.4 Ų71.447%0.47437%0.37SS..Hα-helixtrans-59.8-28.8172.825.7-34.4000112.2Q410 A415 A416Q410-P412 VanDerWaalsContact O-CD 3.32Å; Q410-P412 WeakPolarHBondContact O-CD 3.2Å; P412-A415 WeakPolarHBondContact O-CB 3.35Å; P412-A415 PolarHBondContact O-N 3.45Å; P412-A416 WeakPolarHBondContact O-CB 3.13Å; P412-A416 PolarHBondContact O-N 3.35Å
413D79.1Confident67.6Low134 Ų13469.2 Ų69.272%0.71738%0.377SS*.Hα-helixtrans-67.4-35.8170-86-87.7000113.2N411 A416 Q417N411-D413 PolarHBondContact O-N 2.95Å; D413-A416 PolarHBondContact O-N 3.18Å; D413-Q417 VanDerWaalsContact O-CB 3.25Å; D413-Q417 WeakPolarHBondContact O-CB 3.32Å; D413-Q417 PolarHBondContact O-N 3.42Å
414F73.7Confident67.2Low82 Ų8274.6 Ų74.636%0.3640%0.404SS..Hα-helixtrans-70.2-35.7173.4-174-104.7000111.3T407 N411 Q417 M418T407-F414 HydrophobicContact CG2-CD1 3.77Å; T407-F414 HydrophobicContact CG2-CE1 4.04Å; T407-F414 HydrophobicContact CG2-CG 4.37Å; N411-F414 HydrophobicContact CB-CB 3.49Å; N411-F414 VanDerWaalsContact CB-CB 3.49Å; N411-F414 WeakPolarHBondContact O-CB 3.33Å; N411-F414 PolarHBondContact O-N 3.34Å; F414-Q417 PolarHBondContact O-N 3.22Å; F414-M418 HydrophobicContact CD1-CE 4Å; F414-M418 HydrophobicContact CD1-CG 4.34Å; F414-M418 HydrophobicContact CD1-SD 4.42Å; F414-M418 HydrophobicContact CE1-CE 3.57Å; F414-M418 HydrophobicContact CE1-CG 3.99Å; F414-M418 HydrophobicContact CE1-SD 3.64Å; F414-M418 HydrophobicContact CE2-CG 4.47Å; F414-M418 HydrophobicContact CZ-CE 4.4Å; F414-M418 HydrophobicContact CZ-CG 4.06Å; F414-M418 HydrophobicContact CZ-SD 3.86Å; F414-M418 WeakPolarHBondContact O-CG 3.25Å; F414-M418 PolarHBondContact O-N 3.06Å
415A66.7Low66.9Low0 Ų074.2 Ų74.20%040%0.4CS..Hα-helixtrans-61.7-47170.500000111.5L408 N411 P412 M418 M419 L439L408-A415 HydrophobicContact CD1-CB 3.41Å; L408-A415 VanDerWaalsContact CD1-CB 3.41Å; L408-A415 HydrophobicContact CG-CB 3.74Å; N411-A415 PolarHBondContact O-N 3.04Å; P412-A415 WeakPolarHBondContact O-CB 3.35Å; P412-A415 PolarHBondContact O-N 3.45Å; A415-M418 PolarHBondContact O-N 2.76Å; A415-M419 WeakPolarHBondContact O-CB 3.42Å; A415-M419 VanDerWaalsContact O-CG 3.26Å; A415-M419 WeakPolarHBondContact O-CG 3.42Å; A415-M419 PolarHBondContact O-N 2.97Å; A415-L439 HydrophobicContact CB-CD2 4.01Å
416A67.9Low66.9Low41 Ų4174.8 Ų74.834%0.33941%0.412SS..Hα-helixtrans-61.2-44174.500000111.8P412 D413 M419 V420P412-A416 WeakPolarHBondContact O-CB 3.13Å; P412-A416 PolarHBondContact O-N 3.35Å; D413-A416 PolarHBondContact O-N 3.18Å; A416-M419 CarbonylContact O-C 3.56Å; A416-M419 PolarHBondContact O-N 2.66Å; A416-V420 WeakPolarHBondContact O-CG2 3.48Å; A416-V420 PolarHBondContact O-N 3.09Å
417Q66.2Low66.9Low109 Ų10972.9 Ų72.951%0.50942%0.419SS..Hα-helixtrans-64.7-41.9178.9-17066.968.800112.1D413 F414 M419 V420 N421D413-Q417 VanDerWaalsContact O-CB 3.25Å; D413-Q417 WeakPolarHBondContact O-CB 3.32Å; D413-Q417 PolarHBondContact O-N 3.42Å; F414-Q417 PolarHBondContact O-N 3.22Å; Q417-M419 VanDerWaalsContact C-N 3.35Å; Q417-V420 PolarHBondContact O-N 2.94Å; Q417-N421 PolarHBondContact NE2-OD1 2.81Å; Q417-N421 WeakPolarHBondContact O-CB 3.34Å; Q417-N421 PolarHBondContact O-N 2.89Å; Q417-N421 PolarHBondContact O-OD1 3.23Å; Q417-N421 VanDerWaalsContact O-OD1 3.13Å
418M62.5Low66.8Low58 Ų5875.8 Ų75.829%0.28643%0.433SS..Hα-helixtrans-65.8-37.2172.7-72.7-152.8-62.100111.9L408 F414 A415 N421 V422L408-M418 HydrophobicContact CD1-CE 3.66Å; F414-M418 HydrophobicContact CD1-CE 4Å; F414-M418 HydrophobicContact CD1-CG 4.34Å; F414-M418 HydrophobicContact CD1-SD 4.42Å; F414-M418 HydrophobicContact CE1-CE 3.57Å; F414-M418 HydrophobicContact CE1-CG 3.99Å; F414-M418 HydrophobicContact CE1-SD 3.64Å; F414-M418 HydrophobicContact CE2-CG 4.47Å; F414-M418 HydrophobicContact CZ-CE 4.4Å; F414-M418 HydrophobicContact CZ-CG 4.06Å; F414-M418 HydrophobicContact CZ-SD 3.86Å; F414-M418 WeakPolarHBondContact O-CG 3.25Å; F414-M418 PolarHBondContact O-N 3.06Å; A415-M418 PolarHBondContact O-N 2.76Å; M418-N421 PolarHBondContact O-N 3.33Å; M418-V422 WeakPolarHBondContact O-CB 3.4Å; M418-V422 VanDerWaalsContact O-CG2 3.25Å; M418-V422 WeakPolarHBondContact O-CG2 3.27Å; M418-V422 PolarHBondContact O-N 3.24Å
419M58.2Low67Low35 Ų3578 Ų7817%0.17245%0.45CS..Hα-helixtrans-67.3-36173.5-70.1174.1-173.900112.6A415 A416 Q417 F425 L435 L439A415-M419 WeakPolarHBondContact O-CB 3.42Å; A415-M419 VanDerWaalsContact O-CG 3.26Å; A415-M419 WeakPolarHBondContact O-CG 3.42Å; A415-M419 PolarHBondContact O-N 2.97Å; A416-M419 CarbonylContact O-C 3.56Å; A416-M419 PolarHBondContact O-N 2.66Å; Q417-M419 VanDerWaalsContact C-N 3.35Å; M419-F425 VanDerWaalsContact O-CB 3.29Å; M419-F425 WeakPolarHBondContact O-CB 3.38Å; M419-L435 HydrophobicContact CE-CD2 3.6Å; M419-L435 HydrophobicContact CE-CG 4.08Å; M419-L435 HydrophobicContact SD-CD2 3.67Å; M419-L435 HydrophobicContact SD-CG 4.19Å; M419-L439 HydrophobicContact CE-CD1 3.85Å
420V67Low67.3Low71 Ų7184.9 Ų84.943%0.4348%0.479SS..Hα-helixtrans-65.4-40.1172167.90000111.3A416 Q417 Q432A416-V420 WeakPolarHBondContact O-CG2 3.48Å; A416-V420 PolarHBondContact O-N 3.09Å; Q417-V420 PolarHBondContact O-N 2.94Å; V420-Q432 VanDerWaalsContact CG2-NE2 3.28Å
421N64Low67.2Low117 Ų11782.4 Ų82.463%0.62647%0.469SS*.Hα-helixtrans-81-14.5-178.1-79.550.8000114.3Q417 M418Q417-N421 PolarHBondContact NE2-OD1 2.81Å; Q417-N421 WeakPolarHBondContact O-CB 3.34Å; Q417-N421 PolarHBondContact O-N 2.89Å; Q417-N421 PolarHBondContact O-OD1 3.23Å; Q417-N421 VanDerWaalsContact O-OD1 3.13Å; M418-N421 PolarHBondContact O-N 3.33Å
422V64.3Low66.9Low55 Ų5581.7 Ų81.733%0.33346%0.463SS..SBendtrans-84.4119.9176.7163.70000110.2M418 L424 F425 A426M418-V422 WeakPolarHBondContact O-CB 3.4Å; M418-V422 VanDerWaalsContact O-CG2 3.25Å; M418-V422 WeakPolarHBondContact O-CG2 3.27Å; M418-V422 PolarHBondContact O-N 3.24Å; V422-L424 HydrophobicContact CG1-CB 3.91Å; V422-L424 HydrophobicContact CG1-CG 4.46Å; V422-L424 PolarHBondContact O-N 3.46Å; V422-L424 VanDerWaalsContact O-N 3.08Å; V422-F425 HydrophobicContact CB-CD2 3.95Å; V422-F425 HydrophobicContact CG1-CD2 3.52Å; V422-F425 HydrophobicContact CG1-CE2 4.06Å; V422-F425 HydrophobicContact CG1-CG 4.38Å; V422-F425 PolarHBondContact O-N 3.24Å; V422-A426 PolarHBondContact O-N 2.97Å
423P62Low67.1Low117 Ų11783.3 Ų83.376%0.7646%0.464SS*.Hα-helixtrans-65.9-16.1-174.625.3-34.5000114.4F425P423-F425 VanDerWaalsContact C-N 3.33Å
424L63.2Low66.7Low144 Ų14483 Ų8375%0.75446%0.458SS*.Hα-helixtrans-73.4-22.4172.1-63.5171.7000113.4V422V422-L424 HydrophobicContact CG1-CB 3.91Å; V422-L424 HydrophobicContact CG1-CG 4.46Å; V422-L424 PolarHBondContact O-N 3.46Å; V422-L424 VanDerWaalsContact O-N 3.08Å
425F61.2Low66.2Low76 Ų7681.2 Ų81.233%0.33345%0.452SS..Hα-helixtrans-110-30.9-177.8-64.9-56.5000112.4M419 V422 P423 G427 N428 L431M419-F425 VanDerWaalsContact O-CB 3.29Å; M419-F425 WeakPolarHBondContact O-CB 3.38Å; V422-F425 HydrophobicContact CB-CD2 3.95Å; V422-F425 HydrophobicContact CG1-CD2 3.52Å; V422-F425 HydrophobicContact CG1-CE2 4.06Å; V422-F425 HydrophobicContact CG1-CG 4.38Å; V422-F425 PolarHBondContact O-N 3.24Å; P423-F425 VanDerWaalsContact C-N 3.33Å; F425-G427 PolarHBondContact O-N 3.03Å; F425-G427 VanDerWaalsContact O-N 3.1Å; F425-N428 PolarHBondContact O-N 2.81Å; F425-L431 HydrophobicContact CD1-CD2 3.7Å; F425-L431 HydrophobicContact CE1-CD2 3.77Å
426A61.1Low66.4Low62 Ų6289 Ų8951%0.51248%0.482SS..Hα-helixtrans-55.3-26.2175.400000114.4V422V422-A426 PolarHBondContact O-N 2.97Å
427G67.7Low66.7Low58 Ų5893.2 Ų93.260%0.59850%0.498SS*.THydrogen-bonded Turntrans-82.2-9.7175.700000115.5F425 P429F425-G427 PolarHBondContact O-N 3.03Å; F425-G427 VanDerWaalsContact O-N 3.1Å; G427-P429 WeakPolarHBondContact O-CD 3.36Å
428N66.2Low66.8Low90 Ų9093.6 Ų93.648%0.48150%0.5SS..  trans-128.667.3-162.2-111.360000112.7F425 Q430 L431 Q432F425-N428 PolarHBondContact O-N 2.81Å; N428-Q430 VanDerWaalsContact C-N 3.25Å; N428-Q430 PolarHBondContact O-N 2.99Å; N428-L431 HydrophobicContact CB-CB 4.14Å; N428-L431 PolarHBondContact O-N 2.85Å; N428-Q432 PolarHBondContact O-N 3.01Å
429P71.9Confident67Low89 Ų8991.7 Ų91.758%0.57849%0.491SS*.Hα-helixtrans-59.1-33.3-17623.7-34.4000113.2G427 L431 Q432 E433G427-P429 WeakPolarHBondContact O-CD 3.36Å; P429-L431 VanDerWaalsContact C-N 3.32Å; P429-L431 PolarHBondContact O-N 3.16Å; P429-Q432 WeakPolarHBondContact O-CB 3.34Å; P429-Q432 PolarHBondContact O-N 3.41Å; P429-E433 PolarHBondContact O-N 3.04Å
430Q76.7Confident67.5Low168 Ų16894 Ų9479%0.78551%0.509SS*.Hα-helixtrans-66-33.4176.7-166.2178.116.500112.8N428 Q434N428-Q430 VanDerWaalsContact C-N 3.25Å; N428-Q430 PolarHBondContact O-N 2.99Å; Q430-Q434 PolarHBondContact O-N 3.28Å
431L70.8Confident68Low72 Ų7295.4 Ų95.438%0.37752%0.517SS..Hα-helixtrans-78.2-33.9175-170.5137.1000111.1F425 N428 P429 E433 Q434 L435F425-L431 HydrophobicContact CD1-CD2 3.7Å; F425-L431 HydrophobicContact CE1-CD2 3.77Å; N428-L431 HydrophobicContact CB-CB 4.14Å; N428-L431 PolarHBondContact O-N 2.85Å; P429-L431 VanDerWaalsContact C-N 3.32Å; P429-L431 PolarHBondContact O-N 3.16Å; L431-E433 VanDerWaalsContact C-N 3.33Å; L431-Q434 PolarHBondContact O-N 2.76Å; L431-L435 HydrophobicContact CD2-CD2 4.44Å; L431-L435 WeakPolarHBondContact O-CB 3.42Å; L431-L435 PolarHBondContact O-N 3.02Å
432Q66.3Low68.2Low65 Ų6595 Ų9530%0.30451%0.51SS..Hα-helixtrans-59.1-44.1170.9-168.3172.84000111.1V420 N428 P429 L435 R436V420-Q432 VanDerWaalsContact CG2-NE2 3.28Å; N428-Q432 PolarHBondContact O-N 3.01Å; P429-Q432 WeakPolarHBondContact O-CB 3.34Å; P429-Q432 PolarHBondContact O-N 3.41Å; Q432-L435 PolarHBondContact O-N 3.12Å; Q432-R436 WeakPolarHBondContact O-CB 3.33Å; Q432-R436 PolarHBondContact O-N 3.4Å
433E73.1Confident68.2Low107 Ų10793.2 Ų93.250%0.550%0.498SS..Hα-helixtrans-64.5-45.5177.4-14875.194.200112.5P429 L431 R436 L437P429-E433 PolarHBondContact O-N 3.04Å; L431-E433 VanDerWaalsContact C-N 3.33Å; E433-R436 PolarHBondContact O-N 2.96Å; E433-R436 IonicContact OE2-CZ 3.89Å; E433-R436 IonicContact OE2-NE 3.19Å; E433-R436 PolarHBondContact OE2-NE 3Å; E433-R436 IonicContact OE2-NH2 3.66Å; E433-L437 WeakPolarHBondContact O-CG 3.2Å; E433-L437 PolarHBondContact O-N 3.23Å; E433-L437 VanDerWaalsContact O-N 3.11Å
434Q70.1Confident68.4Low126 Ų12694.3 Ų94.359%0.58949%0.493SS*.Hα-helixtrans-64.1-43.2176.2179.7175.8-24.900112Q430 L431 L437 Q438Q430-Q434 PolarHBondContact O-N 3.28Å; L431-Q434 PolarHBondContact O-N 2.76Å; Q434-L437 PolarHBondContact O-N 2.91Å; Q434-Q438 PolarHBondContact O-N 3.42Å
435L63.9Low68.5Low45 Ų4593.3 Ų93.324%0.23649%0.485CS..Hα-helixtrans-69.1-35.6179.8-170.355.5000111M419 L431 Q432 L437 Q438 L439M419-L435 HydrophobicContact CE-CD2 3.6Å; M419-L435 HydrophobicContact CE-CG 4.08Å; M419-L435 HydrophobicContact SD-CD2 3.67Å; M419-L435 HydrophobicContact SD-CG 4.19Å; L431-L435 HydrophobicContact CD2-CD2 4.44Å; L431-L435 WeakPolarHBondContact O-CB 3.42Å; L431-L435 PolarHBondContact O-N 3.02Å; Q432-L435 PolarHBondContact O-N 3.12Å; L435-L437 VanDerWaalsContact C-N 3.33Å; L435-L437 PolarHBondContact O-N 2.79Å; L435-Q438 PolarHBondContact O-N 3.2Å; L435-L439 HydrophobicContact CD1-CD1 4.33Å; L435-L439 HydrophobicContact CG-CD1 4.25Å; L435-L439 WeakPolarHBondContact O-CB 3.34Å; L435-L439 PolarHBondContact O-N 3.43Å
436R69.3Low68.4Low163 Ų16391.6 Ų91.662%0.61548%0.478SS*.Hα-helixtrans-63.8-34.3172.6-165.8179.579.483.6-0112.8Q432 E433 P440Q432-R436 WeakPolarHBondContact O-CB 3.33Å; Q432-R436 PolarHBondContact O-N 3.4Å; E433-R436 PolarHBondContact O-N 2.96Å; E433-R436 IonicContact OE2-CZ 3.89Å; E433-R436 IonicContact OE2-NE 3.19Å; E433-R436 PolarHBondContact OE2-NE 3Å; E433-R436 IonicContact OE2-NH2 3.66Å; R436-P440 WeakPolarHBondContact O-CD 3.26Å
437L74.3Confident68.7Low130 Ų13094.2 Ų94.268%0.68148%0.48SS*.Hα-helixtrans-73.1-33.3173.1-74.5167.1000112.9E433 Q434 L435E433-L437 WeakPolarHBondContact O-CG 3.2Å; E433-L437 PolarHBondContact O-N 3.23Å; E433-L437 VanDerWaalsContact O-N 3.11Å; Q434-L437 PolarHBondContact O-N 2.91Å; L435-L437 VanDerWaalsContact C-N 3.33Å; L435-L437 PolarHBondContact O-N 2.79Å
438Q69.5Low68.5Low117 Ų11795.1 Ų95.155%0.54747%0.471SS..Hα-helixtrans-87-24.3-179.1-162.3165.53700113.4Q434 L435 P440 V441 F442Q434-Q438 PolarHBondContact O-N 3.42Å; L435-Q438 PolarHBondContact O-N 3.2Å; Q438-P440 VanDerWaalsContact C-CD 3.49Å; Q438-V441 PolarHBondContact O-N 3.25Å; Q438-F442 WeakPolarHBondContact O-CB 3.21Å; Q438-F442 PolarHBondContact O-N 3.16Å
439L66.6Low68.5Low19 Ų1995.3 Ų95.310%0.09948%0.477CS..Hα-helixtrans-51.4-45.7-177.1-14074.3000114.1A415 M419 L435 V441 F442 L443A415-L439 HydrophobicContact CB-CD2 4.01Å; M419-L439 HydrophobicContact CE-CD1 3.85Å; L435-L439 HydrophobicContact CD1-CD1 4.33Å; L435-L439 HydrophobicContact CG-CD1 4.25Å; L435-L439 WeakPolarHBondContact O-CB 3.34Å; L435-L439 PolarHBondContact O-N 3.43Å; L439-V441 PolarHBondContact O-N 3.05Å; L439-F442 PolarHBondContact O-N 3.36Å; L439-L443 HydrophobicContact CD2-CD1 4.45Å; L439-L443 HydrophobicContact CG-CD1 4.27Å; L439-L443 VanDerWaalsContact O-CB 3.27Å; L439-L443 WeakPolarHBondContact O-CB 3.38Å; L439-L443 WeakPolarHBondContact O-CG 3.25Å; L439-L443 PolarHBondContact O-N 2.84Å
440P68.7Low68.6Low84 Ų8497.9 Ų97.955%0.54548%0.481SS..Hα-helixtrans-64.9-39.9-178.2-22.234.6000112.5R436 Q438 Q444R436-P440 WeakPolarHBondContact O-CD 3.26Å; Q438-P440 VanDerWaalsContact C-CD 3.49Å; P440-Q444 VanDerWaalsContact O-CB 3.22Å; P440-Q444 WeakPolarHBondContact O-CB 3.46Å; P440-Q444 PolarHBondContact O-N 3.04Å
441V76.4Confident68.3Low100 Ų10091.1 Ų91.161%0.60645%0.453SS*.Hα-helixtrans-70-43.3178.6-178.10000110.3Q438 L439 Q444 Q445Q438-V441 PolarHBondContact O-N 3.25Å; L439-V441 PolarHBondContact O-N 3.05Å; V441-Q444 PolarHBondContact O-N 3.29Å; V441-Q445 WeakPolarHBondContact O-CB 3.4Å; V441-Q445 PolarHBondContact O-N 3.15Å
442F68.2Low68.1Low109 Ų10990.6 Ų90.648%0.47845%0.45SS..Hα-helixtrans-65.4-40.9177.6-176.1-120.2000112.3Q438 L439 Q445 M446Q438-F442 WeakPolarHBondContact O-CB 3.21Å; Q438-F442 PolarHBondContact O-N 3.16Å; L439-F442 PolarHBondContact O-N 3.36Å; F442-Q445 PolarHBondContact O-N 3.45Å; F442-M446 HydrophobicContact CD1-CE 3.73Å; F442-M446 HydrophobicContact CD1-SD 4.35Å; F442-M446 HydrophobicContact CD2-CG 4.41Å; F442-M446 HydrophobicContact CE1-CE 3.34Å; F442-M446 HydrophobicContact CE1-CG 4.46Å; F442-M446 HydrophobicContact CE1-SD 3.62Å; F442-M446 HydrophobicContact CE2-CG 4.09Å; F442-M446 HydrophobicContact CE2-SD 3.99Å; F442-M446 HydrophobicContact CZ-CE 3.83Å; F442-M446 HydrophobicContact CZ-CG 4.12Å; F442-M446 HydrophobicContact CZ-SD 3.41Å; F442-M446 WeakPolarHBondContact CZ-SD 3.38Å; F442-M446 WeakPolarHBondContact O-CB 3.18Å; F442-M446 WeakPolarHBondContact O-CG 3.49Å; F442-M446 PolarHBondContact O-N 2.87Å
443L65.6Low68.3Low17 Ų1790.4 Ų90.49%0.08946%0.456CS..Hα-helixtrans-67.2-44.3173.9-78.2176000112.3A409 L439 Q445 M446 Q447A409-L443 HydrophobicContact CB-CD2 3.7Å; L439-L443 HydrophobicContact CD2-CD1 4.45Å; L439-L443 HydrophobicContact CG-CD1 4.27Å; L439-L443 VanDerWaalsContact O-CB 3.27Å; L439-L443 WeakPolarHBondContact O-CB 3.38Å; L439-L443 WeakPolarHBondContact O-CG 3.25Å; L439-L443 PolarHBondContact O-N 2.84Å; L443-Q445 PolarHBondContact O-N 2.95Å; L443-M446 HydrophobicContact CD2-CE 4.1Å; L443-M446 PolarHBondContact O-N 3.36Å; L443-Q447 WeakPolarHBondContact O-CB 3.19Å; L443-Q447 VanDerWaalsContact O-CG 3.28Å; L443-Q447 WeakPolarHBondContact O-CG 3.46Å; L443-Q447 PolarHBondContact O-N 2.81Å
444Q66.6Low68.3Low140 Ų14088.5 Ų88.565%0.65445%0.449SS*.Hα-helixtrans-60.7-38.5175-169.5121.59400110.8P440 V441 N448P440-Q444 VanDerWaalsContact O-CB 3.22Å; P440-Q444 WeakPolarHBondContact O-CB 3.46Å; P440-Q444 PolarHBondContact O-N 3.04Å; V441-Q444 PolarHBondContact O-N 3.29Å; Q444-N448 PolarHBondContact O-ND2 2.84Å
445Q63.4Low68.1Low123 Ų12388 Ų8858%0.57545%0.449SS*.Hα-helixtrans-66.3-52.1174.4-167.1153.625.300111.4V441 F442 L443 Q447 N448 S451V441-Q445 WeakPolarHBondContact O-CB 3.4Å; V441-Q445 PolarHBondContact O-N 3.15Å; F442-Q445 PolarHBondContact O-N 3.45Å; L443-Q445 PolarHBondContact O-N 2.95Å; Q445-Q447 VanDerWaalsContact C-N 3.26Å; Q445-Q447 PolarHBondContact O-N 3.2Å; Q445-N448 VanDerWaalsContact O-CB 3.32Å; Q445-N448 WeakPolarHBondContact O-CB 3.36Å; Q445-N448 PolarHBondContact O-N 3.18Å; Q445-N448 PolarHBondContact O-ND2 3.41Å; Q445-S451 WeakPolarHBondContact O-CB 3.45Å; Q445-S451 PolarHBondContact O-OG 2.85Å
446M60.6Low68.5Low39 Ų3989.3 Ų89.319%0.19246%0.459CS..Hα-helixtrans-65-21.7-180-73.3-160.3-53.900114.9M405 F442 L443 N448M405-M446 HydrophobicContact CE-CB 3.75Å; M405-M446 HydrophobicContact CE-CE 4.12Å; M405-M446 HydrophobicContact CE-CG 4.14Å; M405-M446 HydrophobicContact CE-SD 3.64Å; F442-M446 HydrophobicContact CD1-CE 3.73Å; F442-M446 HydrophobicContact CD1-SD 4.35Å; F442-M446 HydrophobicContact CD2-CG 4.41Å; F442-M446 HydrophobicContact CE1-CE 3.34Å; F442-M446 HydrophobicContact CE1-CG 4.46Å; F442-M446 HydrophobicContact CE1-SD 3.62Å; F442-M446 HydrophobicContact CE2-CG 4.09Å; F442-M446 HydrophobicContact CE2-SD 3.99Å; F442-M446 HydrophobicContact CZ-CE 3.83Å; F442-M446 HydrophobicContact CZ-CG 4.12Å; F442-M446 HydrophobicContact CZ-SD 3.41Å; F442-M446 WeakPolarHBondContact CZ-SD 3.38Å; F442-M446 WeakPolarHBondContact O-CB 3.18Å; F442-M446 WeakPolarHBondContact O-CG 3.49Å; F442-M446 PolarHBondContact O-N 2.87Å; L443-M446 HydrophobicContact CD2-CE 4.1Å; L443-M446 PolarHBondContact O-N 3.36Å; M446-N448 PolarHBondContact O-N 2.9Å
447Q66.3Low68.8Low117 Ų11785.1 Ų85.155%0.54745%0.449SS..THydrogen-bonded Turntrans-73.3-13.4171.2-76.417829.500113.2L443 Q445L443-Q447 WeakPolarHBondContact O-CB 3.19Å; L443-Q447 VanDerWaalsContact O-CG 3.28Å; L443-Q447 WeakPolarHBondContact O-CG 3.46Å; L443-Q447 PolarHBondContact O-N 2.81Å; Q445-Q447 VanDerWaalsContact C-N 3.26Å; Q445-Q447 PolarHBondContact O-N 3.2Å
448N63.1Low68.9Low78 Ų7883.4 Ų83.442%0.41745%0.446SS..  trans-72127.3177.5-78.8-85.5000110.7Q444 Q445 M446 E450 S451 L452Q444-N448 PolarHBondContact O-ND2 2.84Å; Q445-N448 VanDerWaalsContact O-CB 3.32Å; Q445-N448 WeakPolarHBondContact O-CB 3.36Å; Q445-N448 PolarHBondContact O-N 3.18Å; Q445-N448 PolarHBondContact O-ND2 3.41Å; M446-N448 PolarHBondContact O-N 2.9Å; N448-E450 PolarHBondContact O-N 2.89Å; N448-S451 PolarHBondContact O-N 3.13Å; N448-S451 PolarHBondContact O-OG 3.28Å; N448-L452 PolarHBondContact O-N 3.35Å
449P67.9Low69.7Low94 Ų9487.1 Ų87.161%0.6146%0.455SS*.Hα-helixtrans-62.2-29.3175.326.9-34.7000111.7S453P449-S453 VanDerWaalsContact O-CB 3.24Å; P449-S453 WeakPolarHBondContact O-CB 3.43Å; P449-S453 PolarHBondContact O-N 2.87Å; P449-S453 PolarHBondContact O-OG 3.22Å
450E74.1Confident70.2Confident142 Ų14287.1 Ų87.166%0.66446%0.458SS*.Hα-helixtrans-60.8-45.3171.7-71-95.594.200111.9N448 S453 I454N448-E450 PolarHBondContact O-N 2.89Å; E450-S453 WeakPolarHBondContact O-CB 3.43Å; E450-S453 PolarHBondContact O-N 2.85Å; E450-I454 VanDerWaalsContact O-CG1 3.27Å; E450-I454 WeakPolarHBondContact O-CG1 3.1Å; E450-I454 PolarHBondContact O-N 3.18Å
451S69.9Low70.3Confident26 Ų2689.2 Ų89.218%0.18246%0.462CS..Hα-helixtrans-68.4-41.7-178.376.70000112.2Q445 N448 S453 I454 L455Q445-S451 WeakPolarHBondContact O-CB 3.45Å; Q445-S451 PolarHBondContact O-OG 2.85Å; N448-S451 PolarHBondContact O-N 3.13Å; N448-S451 PolarHBondContact O-OG 3.28Å; S451-S453 VanDerWaalsContact C-N 3.33Å; S451-I454 PolarHBondContact O-N 3.14Å; S451-L455 PolarHBondContact O-N 2.88Å
452L67.1Low70.7Confident61 Ų6190.8 Ų90.832%0.31946%0.462SS..Hα-helixtrans-61.7-43.3171.3-71.4169000110.5M405 N448 I454 L455 T456M405-L452 HydrophobicContact CE-CD2 3.91Å; N448-L452 PolarHBondContact O-N 3.35Å; L452-I454 VanDerWaalsContact C-N 3.35Å; L452-I454 PolarHBondContact O-N 3.48Å; L452-L455 CarbonylContact O-C 3.58Å; L452-L455 WeakPolarHBondContact O-CB 3.49Å; L452-L455 PolarHBondContact O-N 2.93Å; L452-L455 VanDerWaalsContact O-N 3.12Å; L452-T456 WeakPolarHBondContact O-CG2 3.48Å; L452-T456 PolarHBondContact O-N 2.82Å; L452-T456 PolarHBondContact O-OG1 3.04Å; L452-T456 VanDerWaalsContact O-OG1 3.08Å
453S70.7Confident71.3Confident61 Ų6187.3 Ų87.343%0.42745%0.454SS..Hα-helixtrans-61.4-40.4176.8-61.40000112.2P449 E450 S451 L455 T456 N457P449-S453 VanDerWaalsContact O-CB 3.24Å; P449-S453 WeakPolarHBondContact O-CB 3.43Å; P449-S453 PolarHBondContact O-N 2.87Å; P449-S453 PolarHBondContact O-OG 3.22Å; E450-S453 WeakPolarHBondContact O-CB 3.43Å; E450-S453 PolarHBondContact O-N 2.85Å; S451-S453 VanDerWaalsContact C-N 3.33Å; S453-L455 VanDerWaalsContact C-N 3.33Å; S453-T456 PolarHBondContact O-N 3.13Å; S453-T456 PolarHBondContact O-OG1 3Å; S453-N457 WeakPolarHBondContact O-CB 3.47Å; S453-N457 PolarHBondContact O-N 3.43Å
454I71.6Confident71.8Confident68 Ų6890.5 Ų90.535%0.34947%0.47SS..Hα-helixtrans-64.1-37.6174.2-69.4161.4000111.2E450 S451 L452 L464E450-I454 VanDerWaalsContact O-CG1 3.27Å; E450-I454 WeakPolarHBondContact O-CG1 3.1Å; E450-I454 PolarHBondContact O-N 3.18Å; S451-I454 PolarHBondContact O-N 3.14Å; L452-I454 VanDerWaalsContact C-N 3.35Å; L452-I454 PolarHBondContact O-N 3.48Å; I454-L464 HydrophobicContact CG2-CD1 4.42Å; I454-L464 HydrophobicContact CG2-CD2 4.12Å
455L67.1Low72.1Confident116 Ų11689.4 Ų89.461%0.60747%0.469SS*.Hα-helixtrans-72.3-35.1176.9-115.5161.9000113.4S451 L452 S453S451-L455 PolarHBondContact O-N 2.88Å; L452-L455 CarbonylContact O-C 3.58Å; L452-L455 WeakPolarHBondContact O-CB 3.49Å; L452-L455 PolarHBondContact O-N 2.93Å; L452-L455 VanDerWaalsContact O-N 3.12Å; S453-L455 VanDerWaalsContact C-N 3.33Å
456T72.5Confident73.1Confident71 Ų7190.4 Ų90.444%0.43647%0.473SS..Hα-helixtrans-88.5-13.5179.756.60000114.4L452 S453 P458L452-T456 WeakPolarHBondContact O-CG2 3.48Å; L452-T456 PolarHBondContact O-N 2.82Å; L452-T456 PolarHBondContact O-OG1 3.04Å; L452-T456 VanDerWaalsContact O-OG1 3.08Å; S453-T456 PolarHBondContact O-N 3.13Å; S453-T456 PolarHBondContact O-OG1 3Å; T456-P458 WeakPolarHBondContact O-CD 3.36Å
457N75.4Confident74Confident75 Ų7593 Ų9340%0.40149%0.487SS..  trans-100.5106.8-176.8179.3-11.8000110.1S453 R459 A460 M461S453-N457 WeakPolarHBondContact O-CB 3.47Å; S453-N457 PolarHBondContact O-N 3.43Å; N457-R459 PolarHBondContact O-N 2.93Å; N457-R459 WeakPolarHBondContact OD1-CA 3.27Å; N457-R459 WeakPolarHBondContact OD1-CB 3.49Å; N457-R459 PolarHBondContact OD1-N 3.23Å; N457-A460 HydrophobicContact CB-CB 3.63Å; N457-A460 WeakPolarHBondContact O-CA 3.31Å; N457-A460 WeakPolarHBondContact O-CB 3.48Å; N457-A460 PolarHBondContact O-N 3.47Å; N457-A460 PolarHBondContact OD1-N 3.09Å; N457-A460 VanDerWaalsContact OD1-N 3.07Å; N457-M461 PolarHBondContact O-N 2.9Å
458P76.1Confident74Confident95 Ų9593.3 Ų93.362%0.61749%0.488SS*.Hα-helixtrans-63.4-27.5-177.925.4-34.4000112.5T456 Q462T456-P458 WeakPolarHBondContact O-CD 3.36Å; P458-Q462 VanDerWaalsContact O-CG 3.31Å; P458-Q462 WeakPolarHBondContact O-CG 3.42Å; P458-Q462 PolarHBondContact O-N 2.67Å
459R86.4Confident74.8Confident194 Ų19496 Ų9673%0.73250%0.498SS*.Hα-helixtrans-75.1-31.2173-168.5-179.9-68.1177.7-0.5111.7N457 A463N457-R459 PolarHBondContact O-N 2.93Å; N457-R459 WeakPolarHBondContact OD1-CA 3.27Å; N457-R459 WeakPolarHBondContact OD1-CB 3.49Å; N457-R459 PolarHBondContact OD1-N 3.23Å; R459-A463 VanDerWaalsContact O-CB 3.26Å; R459-A463 WeakPolarHBondContact O-CB 3.4Å; R459-A463 PolarHBondContact O-N 3.29Å
460A77.6Confident75.2Confident20 Ų2093 Ų9317%0.16548%0.484CS..Hα-helixtrans-69.3-38.417100000111.4N457 A463 L464N457-A460 HydrophobicContact CB-CB 3.63Å; N457-A460 WeakPolarHBondContact O-CA 3.31Å; N457-A460 WeakPolarHBondContact O-CB 3.48Å; N457-A460 PolarHBondContact O-N 3.47Å; N457-A460 PolarHBondContact OD1-N 3.09Å; N457-A460 VanDerWaalsContact OD1-N 3.07Å; A460-A463 CarbonylContact O-C 3.6Å; A460-A463 PolarHBondContact O-N 3.07Å; A460-L464 VanDerWaalsContact O-CB 3.32Å; A460-L464 WeakPolarHBondContact O-CB 3.25Å; A460-L464 PolarHBondContact O-N 3.1Å
461M70.4Confident75.1Confident128 Ų12889.7 Ų89.763%0.63147%0.471SS*.Hα-helixtrans-68.7-37.8175.2-157.4-177.6-169.300112.3N457 L464 L465N457-M461 PolarHBondContact O-N 2.9Å; M461-L464 PolarHBondContact O-N 3.48Å; M461-L465 PolarHBondContact O-N 3.19Å
462Q84Confident74.9Confident132 Ų13294.2 Ų94.262%0.61749%0.489SS*.Hα-helixtrans-61.2-45.1168.8-74.8172.1-0.700112P458 L464 L465 Q466P458-Q462 VanDerWaalsContact O-CG 3.31Å; P458-Q462 WeakPolarHBondContact O-CG 3.42Å; P458-Q462 PolarHBondContact O-N 2.67Å; Q462-L464 VanDerWaalsContact C-N 3.32Å; Q462-L464 PolarHBondContact O-N 2.69Å; Q462-L465 PolarHBondContact O-N 3.3Å; Q462-Q466 WeakPolarHBondContact O-CB 3.43Å; Q462-Q466 PolarHBondContact O-N 2.62Å
463A80.2Confident75.3Confident36 Ų3694.2 Ų94.230%0.29849%0.492SS..Hα-helixtrans-63.9-36.7174.800000111.7R459 A460 Q466 I467R459-A463 VanDerWaalsContact O-CB 3.26Å; R459-A463 WeakPolarHBondContact O-CB 3.4Å; R459-A463 PolarHBondContact O-N 3.29Å; A460-A463 CarbonylContact O-C 3.6Å; A460-A463 PolarHBondContact O-N 3.07Å; A463-Q466 CarbonylContact O-C 3.56Å; A463-Q466 PolarHBondContact O-N 3.43Å; A463-I467 VanDerWaalsContact O-CB 3.24Å; A463-I467 WeakPolarHBondContact O-CB 3.49Å; A463-I467 WeakPolarHBondContact O-CD1 3.38Å; A463-I467 WeakPolarHBondContact O-CG1 3.46Å; A463-I467 PolarHBondContact O-N 3.26Å
464L76.4Confident75.2Confident84 Ų8494.9 Ų94.944%0.4449%0.49SS..Hα-helixtrans-69.1-34.6177.2-15278.7000111.6I454 A460 M461 Q462 Q468I454-L464 HydrophobicContact CG2-CD1 4.42Å; I454-L464 HydrophobicContact CG2-CD2 4.12Å; A460-L464 VanDerWaalsContact O-CB 3.32Å; A460-L464 WeakPolarHBondContact O-CB 3.25Å; A460-L464 PolarHBondContact O-N 3.1Å; M461-L464 PolarHBondContact O-N 3.48Å; Q462-L464 VanDerWaalsContact C-N 3.32Å; Q462-L464 PolarHBondContact O-N 2.69Å; L464-Q468 VanDerWaalsContact O-CB 3.27Å; L464-Q468 WeakPolarHBondContact O-CB 3.34Å; L464-Q468 PolarHBondContact O-N 3.18Å
465L74.6Confident74.7Confident118 Ų11897.2 Ų97.262%0.61850%0.5SS*.Hα-helixtrans-66.3-44.5170.8-172.967.9000111M461 Q462 I467 Q468 Q469M461-L465 PolarHBondContact O-N 3.19Å; Q462-L465 PolarHBondContact O-N 3.3Å; L465-I467 VanDerWaalsContact C-N 3.34Å; L465-I467 PolarHBondContact O-N 3.06Å; L465-Q468 PolarHBondContact O-N 2.95Å; L465-Q469 WeakPolarHBondContact O-CB 3.39Å; L465-Q469 PolarHBondContact O-N 2.85Å
466Q83.7Confident74.7Confident144 Ų14497.1 Ų97.167%0.67350%0.504SS*.Hα-helixtrans-64.9-35.6175.3-169.7178.11300112.4Q462 A463 G470Q462-Q466 WeakPolarHBondContact O-CB 3.43Å; Q462-Q466 PolarHBondContact O-N 2.62Å; A463-Q466 CarbonylContact O-C 3.56Å; A463-Q466 PolarHBondContact O-N 3.43Å; Q466-G470 PolarHBondContact O-N 3.11Å
467I79.7Confident74.3Confident94 Ų94101.1 Ų101.148%0.48252%0.518SS..Hα-helixtrans-76-35.8175.7-72.2162.8000110.9A463 L465 G470 L471A463-I467 VanDerWaalsContact O-CB 3.24Å; A463-I467 WeakPolarHBondContact O-CB 3.49Å; A463-I467 WeakPolarHBondContact O-CD1 3.38Å; A463-I467 WeakPolarHBondContact O-CG1 3.46Å; A463-I467 PolarHBondContact O-N 3.26Å; L465-I467 VanDerWaalsContact C-N 3.34Å; L465-I467 PolarHBondContact O-N 3.06Å; I467-G470 CarbonylContact O-C 3.59Å; I467-G470 PolarHBondContact O-N 3.33Å; I467-L471 HydrophobicContact CG2-CD1 3.9Å; I467-L471 HydrophobicContact CG2-CG 4.33Å; I467-L471 VanDerWaalsContact O-CB 3.22Å; I467-L471 WeakPolarHBondContact O-CB 3.22Å; I467-L471 WeakPolarHBondContact O-CG 3.29Å; I467-L471 PolarHBondContact O-N 2.97Å
468Q65.6Low73.3Confident122 Ų12298.9 Ų98.957%0.5751%0.509SS*.Hα-helixtrans-66.5-44.9173.8-167.1-172.8121.200110.3L464 L465 L471 Q472L464-Q468 VanDerWaalsContact O-CB 3.27Å; L464-Q468 WeakPolarHBondContact O-CB 3.34Å; L464-Q468 PolarHBondContact O-N 3.18Å; L465-Q468 PolarHBondContact O-N 2.95Å; Q468-L471 PolarHBondContact O-N 3.18Å; Q468-Q472 VanDerWaalsContact O-CB 3.31Å; Q468-Q472 WeakPolarHBondContact O-CB 3.18Å; Q468-Q472 PolarHBondContact O-N 2.87Å
469Q79.6Confident72.4Confident135 Ų13598.3 Ų98.363%0.63151%0.506SS*.Hα-helixtrans-61.3-46.4172.6-170.1168.78900110.8L465 L471 Q472 T473L465-Q469 WeakPolarHBondContact O-CB 3.39Å; L465-Q469 PolarHBondContact O-N 2.85Å; Q469-L471 PolarHBondContact O-N 3.45Å; Q469-Q472 PolarHBondContact O-N 3.19Å; Q469-T473 PolarHBondContact O-N 2.9Å; Q469-T473 PolarHBondContact O-OG1 3.29Å; Q469-T473 VanDerWaalsContact O-OG1 3.13Å
470G77.4Confident71.4Confident30 Ų3091.9 Ų91.931%0.30950%0.5SS..Hα-helixtrans-64.4-32.5176.200000114.6Q466 I467 L474Q466-G470 PolarHBondContact O-N 3.11Å; I467-G470 CarbonylContact O-C 3.59Å; I467-G470 PolarHBondContact O-N 3.33Å; G470-L474 WeakPolarHBondContact O-CB 3.42Å; G470-L474 WeakPolarHBondContact O-CD1 3.21Å; G470-L474 PolarHBondContact O-N 3.41Å
471L71.8Confident70.5Confident74 Ų7496.3 Ų96.339%0.38752%0.52SS..Hα-helixtrans-75.1-33.5172.4-82.3169.5000111.9I467 Q468 Q469 L474 Q475 V482I467-L471 HydrophobicContact CG2-CD1 3.9Å; I467-L471 HydrophobicContact CG2-CG 4.33Å; I467-L471 VanDerWaalsContact O-CB 3.22Å; I467-L471 WeakPolarHBondContact O-CB 3.22Å; I467-L471 WeakPolarHBondContact O-CG 3.29Å; I467-L471 PolarHBondContact O-N 2.97Å; Q468-L471 PolarHBondContact O-N 3.18Å; Q469-L471 PolarHBondContact O-N 3.45Å; L471-L474 PolarHBondContact O-N 3.3Å; L471-Q475 WeakPolarHBondContact O-CB 3.47Å; L471-Q475 VanDerWaalsContact O-CG 3.23Å; L471-Q475 WeakPolarHBondContact O-CG 3.44Å; L471-Q475 PolarHBondContact O-N 3.08Å; L471-V482 HydrophobicContact CD2-CG1 4.28Å
472Q66.1Low70Confident120 Ų12092.7 Ų92.756%0.56151%0.505SS*.Hα-helixtrans-69.9-38.5174-159.1163.810100110.4Q468 Q469 Q475 T476Q468-Q472 VanDerWaalsContact O-CB 3.31Å; Q468-Q472 WeakPolarHBondContact O-CB 3.18Å; Q468-Q472 PolarHBondContact O-N 2.87Å; Q469-Q472 PolarHBondContact O-N 3.19Å; Q472-Q475 PolarHBondContact O-N 3.32Å; Q472-T476 WeakPolarHBondContact O-CB 3.47Å; Q472-T476 PolarHBondContact O-N 2.82Å; Q472-T476 PolarHBondContact O-OG1 3.21Å
473T75.5Confident68.7Low61 Ų6191.4 Ų91.437%0.37451%0.509SS..Hα-helixtrans-60.3-49.8165.2-61.40000111.2Q469 Q475 T476 E477Q469-T473 PolarHBondContact O-N 2.9Å; Q469-T473 PolarHBondContact O-OG1 3.29Å; Q469-T473 VanDerWaalsContact O-OG1 3.13Å; T473-Q475 VanDerWaalsContact C-N 3.3Å; T473-Q475 PolarHBondContact O-N 2.63Å; T473-T476 CarbonylContact O-C 2.98Å; T473-T476 WeakPolarHBondContact O-CA 3.33Å; T473-T476 PolarHBondContact O-N 3.38Å; T473-E477 HydrophobicContact CG2-CG 4.1Å; T473-E477 WeakPolarHBondContact CG2-OE2 3.37Å; T473-E477 WeakPolarHBondContact O-CB 3.28Å; T473-E477 PolarHBondContact O-N 2.88Å
474L67.5Low67.6Low76 Ų7692.9 Ų92.940%0.39852%0.517SS..Hα-helixtrans-61.2-34.5177-111.675.4000113.4G470 L471 T476 A478G470-L474 WeakPolarHBondContact O-CB 3.42Å; G470-L474 WeakPolarHBondContact O-CD1 3.21Å; G470-L474 PolarHBondContact O-N 3.41Å; L471-L474 PolarHBondContact O-N 3.3Å; L474-T476 VanDerWaalsContact C-N 3.31Å; L474-A478 CarbonylContact O-C 3.58Å; L474-A478 WeakPolarHBondContact O-CA 3.07Å; L474-A478 PolarHBondContact O-N 2.85Å
475Q61.2Low66.7Low117 Ų11795 Ų9555%0.54753%0.528SS..Hα-helixtrans-73.2-24.6174.6-74.6171.713.300112.4L471 Q472 T473 P479 V482L471-Q475 WeakPolarHBondContact O-CB 3.47Å; L471-Q475 VanDerWaalsContact O-CG 3.23Å; L471-Q475 WeakPolarHBondContact O-CG 3.44Å; L471-Q475 PolarHBondContact O-N 3.08Å; Q472-Q475 PolarHBondContact O-N 3.32Å; T473-Q475 VanDerWaalsContact C-N 3.3Å; T473-Q475 PolarHBondContact O-N 2.63Å; Q475-P479 WeakPolarHBondContact O-CB 3.25Å; Q475-V482 HydrophobicContact CG-CG2 4.3Å
476T66.9Low65.7Low113 Ų11393.3 Ų93.369%0.69354%0.538SS*.Hα-helixtrans-86.8-42.5177.8-57.60000112.1Q472 T473 L474Q472-T476 WeakPolarHBondContact O-CB 3.47Å; Q472-T476 PolarHBondContact O-N 2.82Å; Q472-T476 PolarHBondContact O-OG1 3.21Å; T473-T476 CarbonylContact O-C 2.98Å; T473-T476 WeakPolarHBondContact O-CA 3.33Å; T473-T476 PolarHBondContact O-N 3.38Å; L474-T476 VanDerWaalsContact C-N 3.31Å
477E63.6Low64.2Low155 Ų15590.6 Ų90.672%0.72454%0.536SS*.Hα-helixtrans-91.6-31.4-177.2-62.8-166.912100113.4T473T473-E477 HydrophobicContact CG2-CG 4.1Å; T473-E477 WeakPolarHBondContact CG2-OE2 3.37Å; T473-E477 WeakPolarHBondContact O-CB 3.28Å; T473-E477 PolarHBondContact O-N 2.88Å
478A54.4Low62.4Low28 Ų2894.3 Ų94.323%0.23155%0.548CS..  trans-139.851.5-172.900000114.4L474 G480 L481L474-A478 CarbonylContact O-C 3.58Å; L474-A478 WeakPolarHBondContact O-CA 3.07Å; L474-A478 PolarHBondContact O-N 2.85Å; A478-G480 PolarHBondContact O-N 2.79Å; A478-L481 HydrophobicContact CB-CD1 3.81Å; A478-L481 HydrophobicContact CB-CG 4.08Å; A478-L481 PolarHBondContact O-N 3.36Å
479P57.9Low61.1Low84 Ų8491.8 Ų91.855%0.54556%0.556SS.*THydrogen-bonded Turntrans-56.9-15.5-176.920.7-32.6000115.4Q475Q475-P479 WeakPolarHBondContact O-CB 3.25Å
480G64.4Low59.5Low59 Ų5990.3 Ų90.361%0.60856%0.556SS**THydrogen-bonded Turntrans-80.6-14.6175.500000116.1A478A478-G480 PolarHBondContact O-N 2.79Å
481L59.2Low58.1Low112 Ų11295 Ų9559%0.58658%0.581SS**THydrogen-bonded Turntrans-88.7-35.5-173.1-62.3-176.9000113.7A478 S484 L485A478-L481 HydrophobicContact CB-CD1 3.81Å; A478-L481 HydrophobicContact CB-CG 4.08Å; A478-L481 PolarHBondContact O-N 3.36Å; L481-S484 WeakPolarHBondContact O-CB 3.27Å; L481-S484 PolarHBondContact O-N 3.13Å; L481-S484 VanDerWaalsContact O-N 3.15Å; L481-L485 PolarHBondContact O-N 2.77Å
482V59.5Low56.5Low52 Ų52102.5 Ų102.532%0.31560%0.604SS.*Hα-helixtrans-60.3-40.2-175.7-93.10000115.8L471 Q475 S484L471-V482 HydrophobicContact CD2-CG1 4.28Å; Q475-V482 HydrophobicContact CG-CG2 4.3Å; V482-S484 VanDerWaalsContact C-N 3.26Å; V482-S484 PolarHBondContact O-N 2.74Å
483P58.3Low55.3Low106 Ų106102.9 Ų102.969%0.68861%0.614SS**Hα-helixtrans-74.5-15176.431.3-37.1000113.6
484S57Low53.6Low67 Ų67105 Ų10547%0.46963%0.632SS.*Hα-helixtrans-82.6-43.7178.2-168.40000111.4L481 V482 G486 S487L481-S484 WeakPolarHBondContact O-CB 3.27Å; L481-S484 PolarHBondContact O-N 3.13Å; L481-S484 VanDerWaalsContact O-N 3.15Å; V482-S484 VanDerWaalsContact C-N 3.26Å; V482-S484 PolarHBondContact O-N 2.74Å; S484-G486 VanDerWaalsContact C-N 3.35Å; S484-G486 PolarHBondContact O-N 2.78Å; S484-S487 PolarHBondContact O-N 3.3Å
485L56.5Low52.2Low129 Ų129107.8 Ų107.868%0.67565%0.652SS**Hα-helixtrans-70.9-27.7-172.2-161.164.5000113.4L481 S487 F488L481-L485 PolarHBondContact O-N 2.77Å; L485-S487 PolarHBondContact O-N 3.25Å; L485-F488 HydrophobicContact CD1-CB 4.25Å; L485-F488 PolarHBondContact O-N 2.93Å; L485-F488 VanDerWaalsContact O-N 3.09Å
486G54Low51.2Low81 Ų81107.8 Ų107.884%0.83566%0.662SS**THydrogen-bonded Turntrans-65-4.8175.200000115.6S484S484-G486 VanDerWaalsContact C-N 3.35Å; S484-G486 PolarHBondContact O-N 2.78Å
487S52.4Low49.7Very low88 Ų88110.7 Ų110.762%0.61567%0.672SS**THydrogen-bonded Turntrans-112-2.5175-157.60000113.2S484 L485 G489S484-S487 PolarHBondContact O-N 3.3Å; L485-S487 PolarHBondContact O-N 3.25Å; S487-G489 VanDerWaalsContact C-N 3.27Å; S487-G489 PolarHBondContact O-N 2.76Å
488F41.7Very low48.3Very low171 Ų171107.9 Ų107.975%0.7568%0.676SS**THydrogen-bonded Turntrans-81.267.1-177.9-100.2-101.6000112.7L485L485-F488 HydrophobicContact CD1-CB 4.25Å; L485-F488 PolarHBondContact O-N 2.93Å; L485-F488 VanDerWaalsContact O-N 3.09Å
489G39Very low47.4Very low70 Ų70109.8 Ų109.872%0.72270%0.698SS**THydrogen-bonded Turntrans-140.9-10.7170.600000114.6S487S487-G489 VanDerWaalsContact C-N 3.27Å; S487-G489 PolarHBondContact O-N 2.76Å
490T46.2Very low46.2Very low104 Ų104111.9 Ų111.964%0.63872%0.715SS**SBendtrans-99.2120.5176.452.10000111R492T490-R492 PolarHBondContact O-N 2.84Å
491P47.5Very low44.7Very low129 Ų129115.9 Ų115.984%0.83872%0.722SS**  trans-71.8110168.728.3-31.6000109.6
492R38.5Very low43.5Very low231 Ų231115.8 Ų115.887%0.87273%0.731SS**  trans-82.8126.4175.9-73172.7155.9-170.9-5.4111.4T490T490-R492 PolarHBondContact O-N 2.84Å
493T40.5Very low42.4Very low127 Ų127116.4 Ų116.478%0.77975%0.748SS**  trans-147.8134.4160.2-27.60000113.6
494S40Very low41.5Very low107 Ų107116.9 Ų116.975%0.74875%0.754SS**  trans54.9109.1155.350.70000121.9
495V37.7Very low40.5Very low134 Ų134119.4 Ų119.481%0.81277%0.771SS**  trans-57.6-179.5145.7-59.20000112.5
496P40.2Very low39.6Very low117 Ų117117 Ų11776%0.7677%0.77SS**  cis-140.1-177.16.243.1-23.6000117.9
497L35.7Very low38.8Very low173 Ų173121.9 Ų121.991%0.90677%0.771SS**  trans-47.1129162.1170.876.3000115.8
498A34.5Very low38.3Very low96 Ų96121.9 Ų121.979%0.79378%0.776SS**  trans-179.7149144.800000113.9
499G34.9Very low38.4Very low69 Ų69118.9 Ų118.971%0.71177%0.774SS**  trans89.4130166.200000115.5
500S33.6Very low38.1Very low128 Ų128121.5 Ų121.590%0.89578%0.777SS**  cis80.7133.242.2-62.70000113.8
501N32.5Very low37.9Very low142 Ų142122.1 Ų122.176%0.75979%0.785SS**  cis-167.1161-9.9-176.331.1000109.9
502S33.2Very low37.6Very low111 Ų111121.6 Ų121.678%0.77679%0.785SS**  trans63.6149.3169-63.70000118.6
503G35.9Very low37.8Very low65 Ų65116.9 Ų116.967%0.6778%0.784SS**  cis171159.2-11.400000115.1
504S39.1Very low37.7Very low115 Ų115114 Ų11480%0.80478%0.78SS**  trans70.1114.4157.8-52.70000118.2
505S36.3Very low38.3Very low120 Ų120115.9 Ų115.984%0.83979%0.786SS**  88.8148.381-61.50000112.6
506A38.3Very low38.5Very low78 Ų78115.7 Ų115.765%0.64579%0.788SS**  cis-145.6170.88.500000112.5
507E37.5Very low38.5Very low184 Ų184114.3 Ų114.386%0.8679%0.786SS**  trans55.4125.7157.7-69.8162.377.400119.7
508A40.6Very low38.6Very low88 Ų88112.3 Ų112.373%0.72778%0.781SS**  cis93.7160.541.700000112.6
509P44.7Very low39.1Very low109 Ų109113.1 Ų113.171%0.70878%0.781SS**  -135.8-166.5-89.234.8-13.9000114.8
510T33.3Very low39.6Very low125 Ų125115.8 Ų115.877%0.76779%0.786SS**  trans70.7120.2162.865.20000119.2
511S41.9Very low40.1Very low116 Ų116115 Ų11581%0.81178%0.778SS**  170.6158.1110.8-75.90000111.4
512S41.2Very low40.2Very low119 Ų119114.1 Ų114.183%0.83278%0.783SS**  trans-99.6-159.4-167.4-500000113
513P43.3Very low40.6Very low131 Ų131114.2 Ų114.285%0.85179%0.79SS**  -113.9164.5-115.335.1-17.8000115.1
514G38.2Very low40.8Very low68 Ų68114.4 Ų114.470%0.70179%0.792SS**  trans-159.7109.7175.600000115.3
515V52.4Low41.1Very low145 Ų145114.2 Ų114.288%0.87979%0.791SS**  trans29.6143.4153.6-63.40000122.8
516P41.1Very low41.7Very low130 Ų130114.2 Ų114.284%0.84478%0.782SS**  trans-93.9153.4-17437.6-36.3000115.5
517A40Very low42.5Very low88 Ų88114.6 Ų114.673%0.72778%0.784SS**  trans-155.4143.6161.500000113.4
518T38Very low43Very low131 Ų131113.9 Ų113.980%0.80478%0.781SS**  trans52.1102154.550.20000121.5
519S44.4Very low43.8Very low114 Ų114115.9 Ų115.980%0.79778%0.776SS**  16159.3121.2-33.90000121.5
520P46.1Very low44.4Very low124 Ų124117.6 Ų117.681%0.80577%0.774SS**  cis-136.7-148.715.652-33.1000112.1
521P43.7Very low45.8Very low111 Ų111117.2 Ų117.272%0.72177%0.767SS**  trans-128.9173.3-137.931.5-5.2000118.8
522S34.8Very low46.5Very low124 Ų124117.7 Ų117.787%0.86776%0.757SS**  trans39.2107.1147.8-57.90000121.8
523A41.1Very low47.4Very low113 Ų113118 Ų11893%0.93475%0.746SS**  trans-150.7140.9149.400000110.8
524G41.4Very low48.2Very low69 Ų69118.3 Ų118.371%0.71174%0.736SS**  trans153.4-19.8170.300000118N526G524-N526 PolarHBondContact O-N 2.94Å
525S44.4Very low49.1Very low111 Ų111120.1 Ų120.178%0.77673%0.728SS**THydrogen-bonded Turntrans-82.864.8-170.758.60000114.6
526N48.8Very low49.4Very low121 Ų121117.9 Ų117.965%0.64771%0.709SS**THydrogen-bonded Turntrans-126.3-28.7178-77.4-45.9000115.4G524 Q528 Q529G524-N526 PolarHBondContact O-N 2.94Å; N526-Q528 VanDerWaalsContact C-N 3.32Å; N526-Q528 PolarHBondContact O-N 2.95Å; N526-Q529 PolarHBondContact O-N 2.98Å
527A54.7Low50.1Low85 Ų85118.1 Ų118.170%0.70270%0.699SS**Hα-helixtrans-62.9-33.6-172.500000114.3Q530A527-Q530 PolarHBondContact O-N 2.85Å
528Q49.5Very low50.6Low170 Ų170120 Ų12079%0.79470%0.697SS**Hα-helixtrans-78-21.5-171.2-158.9161-29.200113.6N526 M532N526-Q528 VanDerWaalsContact C-N 3.32Å; N526-Q528 PolarHBondContact O-N 2.95Å; Q528-M532 WeakPolarHBondContact O-CB 3.05Å; Q528-M532 PolarHBondContact O-N 2.84Å
529Q56.1Low51.4Low130 Ų130120.3 Ų120.361%0.60769%0.692SS**Hα-helixtrans-80.9-26.4175.5-68-175.3-100113.1N526 Q533N526-Q529 PolarHBondContact O-N 2.98Å; Q529-Q533 PolarHBondContact O-N 2.88Å; Q529-Q533 PolarHBondContact O-NE2 3.39Å
530Q58Low51.6Low145 Ų145118.6 Ų118.668%0.67868%0.68SS**Hα-helixtrans-69.5-47.7177-148.880.513.800110.9A527 M532 Q533 Q534A527-Q530 PolarHBondContact O-N 2.85Å; Q530-M532 VanDerWaalsContact C-N 3.33Å; Q530-M532 PolarHBondContact O-N 2.77Å; Q530-Q533 PolarHBondContact O-N 3.43Å; Q530-Q534 PolarHBondContact O-N 2.89Å
531L62.5Low51.1Low117 Ų117114.9 Ų114.961%0.61367%0.665SS**Hα-helixtrans-61.7-41.4176-168.192.2000111.4Q533 Q534 M535L531-Q533 PolarHBondContact O-N 2.7Å; L531-Q534 PolarHBondContact O-N 2.8Å; L531-M535 WeakPolarHBondContact O-CB 3.29Å; L531-M535 PolarHBondContact O-N 2.77Å
532M56Low50.8Low125 Ų125116 Ų11662%0.61668%0.675SS**Hα-helixtrans-66.7-35.7-178.2-168.5164.9179.600112.4Q528 Q530 M535 I536Q528-M532 WeakPolarHBondContact O-CB 3.05Å; Q528-M532 PolarHBondContact O-N 2.84Å; Q530-M532 VanDerWaalsContact C-N 3.33Å; Q530-M532 PolarHBondContact O-N 2.77Å; M532-M535 PolarHBondContact O-N 3.37Å; M532-I536 HydrophobicContact CE-CD1 4.48Å; M532-I536 HydrophobicContact CG-CD1 4.12Å; M532-I536 WeakPolarHBondContact O-CB 3.38Å; M532-I536 WeakPolarHBondContact O-CD1 3.45Å; M532-I536 PolarHBondContact O-N 3.24Å
533Q60.7Low50.8Low125 Ų125113.8 Ų113.858%0.58467%0.672SS**Hα-helixtrans-65.4-41.5172-82.2166.392.700112.4Q529 Q530 L531 M535 I536 Q537Q529-Q533 PolarHBondContact O-N 2.88Å; Q529-Q533 PolarHBondContact O-NE2 3.39Å; Q530-Q533 PolarHBondContact O-N 3.43Å; L531-Q533 PolarHBondContact O-N 2.7Å; Q533-M535 VanDerWaalsContact C-N 3.34Å; Q533-M535 PolarHBondContact O-N 2.85Å; Q533-I536 PolarHBondContact O-N 2.9Å; Q533-Q537 PolarHBondContact O-N 3.49Å
534Q60.1Low50.5Low138 Ų138116.3 Ų116.365%0.64567%0.67SS**Hα-helixtrans-68.3-34.7176.7-165165.422.300112.1Q530 L531 Q537 L538Q530-Q534 PolarHBondContact O-N 2.89Å; L531-Q534 PolarHBondContact O-N 2.8Å; Q534-Q537 PolarHBondContact O-N 2.77Å; Q534-L538 HydrophobicContact CG-CD1 4.35Å; Q534-L538 WeakPolarHBondContact O-CD1 3.44Å; Q534-L538 PolarHBondContact O-N 2.84Å; Q534-L538 VanDerWaalsContact O-N 3.12Å
535M57.3Low50Low107 Ų107118.3 Ų118.353%0.52767%0.673SS.*Hα-helixtrans-69.7-38.7173-171.1167.1-77.600112.3L531 M532 Q533 Q537 L538 L539L531-M535 WeakPolarHBondContact O-CB 3.29Å; L531-M535 PolarHBondContact O-N 2.77Å; M532-M535 PolarHBondContact O-N 3.37Å; Q533-M535 VanDerWaalsContact C-N 3.34Å; Q533-M535 PolarHBondContact O-N 2.85Å; M535-Q537 VanDerWaalsContact C-N 3.26Å; M535-Q537 PolarHBondContact O-N 3.02Å; M535-L538 PolarHBondContact O-N 2.96Å; M535-L539 HydrophobicContact CG-CD1 3.95Å; M535-L539 WeakPolarHBondContact O-CB 3.4Å; M535-L539 PolarHBondContact O-N 2.97Å
536I58.9Low49.6Very low97 Ų97121.5 Ų121.550%0.49768%0.675SS.*Hα-helixtrans-58.6-40.6169.5-99.962.3000110.4M532 Q533 L538 L539 S540M532-I536 HydrophobicContact CE-CD1 4.48Å; M532-I536 HydrophobicContact CG-CD1 4.12Å; M532-I536 WeakPolarHBondContact O-CB 3.38Å; M532-I536 WeakPolarHBondContact O-CD1 3.45Å; M532-I536 PolarHBondContact O-N 3.24Å; Q533-I536 PolarHBondContact O-N 2.9Å; I536-L538 PolarHBondContact O-N 3.34Å; I536-L539 PolarHBondContact O-N 3.36Å; I536-S540 VanDerWaalsContact O-CB 3.27Å; I536-S540 WeakPolarHBondContact O-CB 3.44Å; I536-S540 PolarHBondContact O-N 3.35Å; I536-S540 PolarHBondContact O-OG 2.94Å
537Q55.5Low49.5Very low135 Ų135121 Ų12163%0.63168%0.677SS**Hα-helixtrans-66.3-36.8179.9-153.472.983.900112.5Q533 Q534 M535 S540Q533-Q537 PolarHBondContact O-N 3.49Å; Q534-Q537 PolarHBondContact O-N 2.77Å; M535-Q537 VanDerWaalsContact C-N 3.26Å; M535-Q537 PolarHBondContact O-N 3.02Å; Q537-S540 PolarHBondContact NE2-OG 2.77Å; Q537-S540 PolarHBondContact O-OG 3.35Å
538L51.8Low49.3Very low128 Ų128122.7 Ų122.767%0.6768%0.681SS**Hα-helixtrans-81.6-31.4176.6-86.278.1000113.8Q534 M535 I536 S540 G541Q534-L538 HydrophobicContact CG-CD1 4.35Å; Q534-L538 WeakPolarHBondContact O-CD1 3.44Å; Q534-L538 PolarHBondContact O-N 2.84Å; Q534-L538 VanDerWaalsContact O-N 3.12Å; M535-L538 PolarHBondContact O-N 2.96Å; I536-L538 PolarHBondContact O-N 3.34Å; L538-S540 VanDerWaalsContact C-N 3.27Å; L538-G541 PolarHBondContact O-N 3.06Å
539L53.3Low49Very low137 Ų137120 Ų12072%0.71767%0.669SS**Hα-helixtrans-78.2-10.9172.1-89.162.5000112.9M535 I536M535-L539 HydrophobicContact CG-CD1 3.95Å; M535-L539 WeakPolarHBondContact O-CB 3.4Å; M535-L539 PolarHBondContact O-N 2.97Å; I536-L539 PolarHBondContact O-N 3.36Å
540S49.6Very low49Very low78 Ų78116.1 Ų116.155%0.54566%0.655SS.*THydrogen-bonded Turntrans-79.60.2166.7720000113.9I536 Q537 L538I536-S540 VanDerWaalsContact O-CB 3.27Å; I536-S540 WeakPolarHBondContact O-CB 3.44Å; I536-S540 PolarHBondContact O-N 3.35Å; I536-S540 PolarHBondContact O-OG 2.94Å; Q537-S540 PolarHBondContact NE2-OG 2.77Å; Q537-S540 PolarHBondContact O-OG 3.35Å; L538-S540 VanDerWaalsContact C-N 3.27Å
541G34.4Very low49.2Very low47 Ų47112.1 Ų112.149%0.48564%0.637SS.*SBendtrans-88.5121.2171.600000112.3L538L538-G541 PolarHBondContact O-N 3.06Å
542S37.4Very low49.2Very low134 Ų134111.2 Ų111.294%0.93764%0.636SS**  trans8682.8-179.6-39.60000115.4
543G35.2Very low49.9Very low77 Ų77115.3 Ų115.379%0.79465%0.645SS**  trans-157.1102.2169.100000110.1
544N34.4Very low50.8Low167 Ų167110.9 Ų110.989%0.89362%0.623SS**  trans-69.7148.4-168.2-114.3-10.7000113.5Q546N544-Q546 PolarHBondContact O-N 3.36Å
545S31.8Very low52Low110 Ų110109.7 Ų109.777%0.76962%0.618SS**  trans-53.2122.8172.9-54.20000112.9
546Q35.6Very low53.4Low178 Ų178111.9 Ų111.983%0.83263%0.627SS**  trans-141.978.8157.7-123.2170.5-33.700110.9N544N544-Q546 PolarHBondContact O-N 3.36Å
547V47.2Very low54.8Low112 Ų112109.5 Ų109.568%0.67961%0.613SS**PPolyproline II helixtrans-56.4140.9166-178.20000108.6M549V547-M549 PolarHBondContact O-N 3.44Å
548P49.4Very low56.3Low120 Ų120103.5 Ų103.578%0.77959%0.586SS**PPolyproline II helixtrans-52.7116172-25.634.7000110
549M44.4Very low57.9Low112 Ų112103.8 Ų103.855%0.55258%0.584SS**PPolyproline II helixtrans-54.5120.5-163.9-84.9176159.400112V547 E551 V552V547-M549 PolarHBondContact O-N 3.44Å; M549-E551 PolarHBondContact O-N 3.48Å; M549-V552 HydrophobicContact CB-CB 4.46Å; M549-V552 HydrophobicContact CB-CG2 3.88Å; M549-V552 PolarHBondContact O-N 2.84Å
550P56.5Low59.6Low49 Ų49101.9 Ų101.932%0.31857%0.571SS.*Hα-helixtrans-62.5-26.1175.525.7-33.5000111.5V552 R553 F554 L573 I577P550-V552 PolarHBondContact O-N 3.24Å; P550-R553 WeakPolarHBondContact O-CB 3.04Å; P550-R553 PolarHBondContact O-N 2.9Å; P550-R553 VanDerWaalsContact O-N 3.1Å; P550-F554 HydrophobicContact CB-CD2 4.32Å; P550-F554 HydrophobicContact CB-CE2 4.33Å; P550-F554 WeakPolarHBondContact O-CD2 3.39Å; P550-F554 PolarHBondContact O-N 2.99Å; P550-F554 VanDerWaalsContact O-N 3.07Å; P550-L573 HydrophobicContact CB-CD1 4.25Å; P550-I577 HydrophobicContact CB-CD1 3.81Å; P550-I577 HydrophobicContact CB-CG1 3.9Å; P550-I577 HydrophobicContact CG-CD1 3.83Å; P550-I577 HydrophobicContact CG-CG1 4.47Å
551E60.6Low61.4Low61 Ų6198.2 Ų98.229%0.28555%0.545SS..Hα-helixtrans-60.3-30.5173.9-164.4173.5151.500113.2M549 Q555 L558 R569 L573M549-E551 PolarHBondContact O-N 3.48Å; E551-Q555 WeakPolarHBondContact O-CA 3.45Å; E551-Q555 WeakPolarHBondContact O-CB 3.5Å; E551-Q555 PolarHBondContact O-N 3.35Å; E551-L558 HydrophobicContact CG-CD2 3.8Å; E551-R569 WeakPolarHBondContact OE1-CD 3.47Å; E551-R569 IonicContact OE1-CZ 3.83Å; E551-R569 IonicContact OE1-NE 3.62Å; E551-R569 IonicContact OE1-NH1 3.45Å; E551-R569 PolarHBondContact OE1-NH1 2.88Å; E551-L573 HydrophobicContact CB-CD1 4.35Å; E551-L573 HydrophobicContact CB-CD2 4.09Å; E551-L573 HydrophobicContact CG-CD2 4.48Å
552V63.3Low63.9Low99 Ų99100 Ų10060%0.654%0.543SS*.Hα-helixtrans-78.1-33.5175.2-179.70000111.1M549 P550 F554M549-V552 HydrophobicContact CB-CB 4.46Å; M549-V552 HydrophobicContact CB-CG2 3.88Å; M549-V552 PolarHBondContact O-N 2.84Å; P550-V552 PolarHBondContact O-N 3.24Å; V552-F554 VanDerWaalsContact C-N 3.31Å; V552-F554 PolarHBondContact O-N 3.46Å
553R69.8Low66.4Low211 Ų21198.5 Ų98.580%0.79653%0.533SS*.Hα-helixtrans-67.1-30.8174.5-80.9-71.9-173.8122.2-1.6113.1P550P550-R553 WeakPolarHBondContact O-CB 3.04Å; P550-R553 PolarHBondContact O-N 2.9Å; P550-R553 VanDerWaalsContact O-N 3.1Å
554F81.3Confident68.7Low32 Ų3299 Ų9914%0.1452%0.516CS..THydrogen-bonded Turntrans-114.614.2-171.7-60.4-53.6000114.2P550 V552 Q556 Q557 L558 L573 L576 I577P550-F554 HydrophobicContact CB-CD2 4.32Å; P550-F554 HydrophobicContact CB-CE2 4.33Å; P550-F554 WeakPolarHBondContact O-CD2 3.39Å; P550-F554 PolarHBondContact O-N 2.99Å; P550-F554 VanDerWaalsContact O-N 3.07Å; V552-F554 VanDerWaalsContact C-N 3.31Å; V552-F554 PolarHBondContact O-N 3.46Å; F554-Q556 VanDerWaalsContact C-N 3.35Å; F554-Q556 PolarHBondContact O-N 3.32Å; F554-Q557 VanDerWaalsContact C-OE1 3.27Å; F554-Q557 VanDerWaalsContact CA-OE1 3.31Å; F554-Q557 PolarHBondContact O-N 2.9Å; F554-Q557 VanDerWaalsContact O-N 3.15Å; F554-Q557 PolarHBondContact O-OE1 3.3Å; F554-L558 WeakPolarHBondContact O-CB 3.49Å; F554-L558 PolarHBondContact O-N 2.86Å; F554-L573 HydrophobicContact CB-CD1 4.46Å; F554-L573 HydrophobicContact CD2-CD1 4.04Å; F554-L576 HydrophobicContact CB-CB 4.35Å; F554-L576 HydrophobicContact CB-CD1 4.21Å; F554-L576 HydrophobicContact CD1-CB 4.32Å; F554-L576 HydrophobicContact CD2-CB 4.24Å; F554-L576 HydrophobicContact CG-CB 4.06Å; F554-I577 HydrophobicContact CD2-CG1 4.19Å; F554-I577 HydrophobicContact CE2-CB 4.47Å; F554-I577 HydrophobicContact CE2-CG1 3.77Å
555Q85.2Confident71.1Confident113 Ų11393.7 Ų93.753%0.52850%0.501SS..Hα-helixtrans-57.2-43.5-171.1-172.4157.792.300113.3E551 L558 E559E551-Q555 WeakPolarHBondContact O-CA 3.45Å; E551-Q555 WeakPolarHBondContact O-CB 3.5Å; E551-Q555 PolarHBondContact O-N 3.35Å; Q555-L558 WeakPolarHBondContact O-CB 3.35Å; Q555-L558 PolarHBondContact O-N 3.15Å; Q555-E559 PolarHBondContact O-N 3.34Å
556Q85.6Confident73.7Confident152 Ų15290.4 Ų90.471%0.7147%0.473SS*.Hα-helixtrans-67-39179.2-166.7173.725.400112.1F554 E559 Q560F554-Q556 VanDerWaalsContact C-N 3.35Å; F554-Q556 PolarHBondContact O-N 3.32Å; Q556-E559 PolarHBondContact O-N 3.3Å; Q556-Q560 PolarHBondContact O-N 3.02Å
557Q87.8Confident76.1Confident47 Ų4788.2 Ų88.222%0.2247%0.465CS..Hα-helixtrans-70.2-35.5176.4-63.275.311.500111.5F554 Q560 L561 L576 I583F554-Q557 VanDerWaalsContact C-OE1 3.27Å; F554-Q557 VanDerWaalsContact CA-OE1 3.31Å; F554-Q557 PolarHBondContact O-N 2.9Å; F554-Q557 VanDerWaalsContact O-N 3.15Å; F554-Q557 PolarHBondContact O-OE1 3.3Å; Q557-Q560 PolarHBondContact O-N 3.14Å; Q557-L561 WeakPolarHBondContact O-CB 3.42Å; Q557-L561 WeakPolarHBondContact O-CG 3.43Å; Q557-L561 PolarHBondContact O-N 3.34Å; Q557-L576 HydrophobicContact CB-CD1 3.54Å; Q557-L576 HydrophobicContact CB-CD2 3.76Å; Q557-L576 HydrophobicContact CB-CG 4.31Å; Q557-L576 HydrophobicContact CG-CD2 4.22Å; Q557-I583 HydrophobicContact CB-CD1 4.24Å; Q557-I583 HydrophobicContact CB-CG1 4.09Å; Q557-I583 HydrophobicContact CG-CD1 3.92Å; Q557-I583 HydrophobicContact CG-CG1 3.8Å
558L87.2Confident78Confident10 Ų1087.9 Ų87.95%0.05246%0.459CS..Hα-helixtrans-60.4-44.7172.5-122.659.2000111.5E551 F554 Q555 L561 N562 R569 N572 L573 L576E551-L558 HydrophobicContact CG-CD2 3.8Å; F554-L558 WeakPolarHBondContact O-CB 3.49Å; F554-L558 PolarHBondContact O-N 2.86Å; Q555-L558 WeakPolarHBondContact O-CB 3.35Å; Q555-L558 PolarHBondContact O-N 3.15Å; L558-L561 PolarHBondContact O-N 2.84Å; L558-N562 WeakPolarHBondContact O-CB 3.33Å; L558-N562 PolarHBondContact O-N 3.35Å; L558-R569 HydrophobicContact CD2-CG 3.57Å; L558-R569 HydrophobicContact CG-CG 4.1Å; L558-N572 HydrophobicContact CD1-CB 3.9Å; L558-L573 HydrophobicContact CD1-CB 4.09Å; L558-L573 HydrophobicContact CD1-CD1 4.35Å; L558-L576 HydrophobicContact CD1-CD1 3.74Å
559E86.6Confident79.7Confident133 Ų13388.7 Ų88.762%0.62145%0.447SS*.Hα-helixtrans-70.6-36.1-179.6-159.515695.900112Q555 Q556 S563Q555-E559 PolarHBondContact O-N 3.34Å; Q556-E559 PolarHBondContact O-N 3.3Å; E559-S563 WeakPolarHBondContact O-CB 3.39Å; E559-S563 PolarHBondContact O-N 3.36Å; E559-S563 PolarHBondContact O-OG 2.9Å
560Q88.3Confident81.7Confident98 Ų9891.5 Ų91.546%0.45846%0.459SS..Hα-helixtrans-68.3-43.7172.1-170.9171.4-12.300112.4Q556 Q557 N562 S563 M564 I583Q556-Q560 PolarHBondContact O-N 3.02Å; Q557-Q560 PolarHBondContact O-N 3.14Å; Q560-N562 PolarHBondContact O-N 3.01Å; Q560-S563 WeakPolarHBondContact O-CB 3.26Å; Q560-S563 PolarHBondContact O-N 3.49Å; Q560-M564 HydrophobicContact CG-CE 4.09Å; Q560-M564 WeakPolarHBondContact O-CG 3.33Å; Q560-M564 PolarHBondContact O-N 2.7Å; Q560-I583 HydrophobicContact CB-CD1 4.41Å; Q560-I583 HydrophobicContact CG-CD1 4.31Å
561L87.4Confident83.2Confident0 Ų091.2 Ų91.20%046%0.46CS..Hα-helixtrans-61.3-41.9174-79.1172.7000112.1Q557 L558 S563 M564 G565 F566 N572 L576 I583 A586 I587 L590Q557-L561 WeakPolarHBondContact O-CB 3.42Å; Q557-L561 WeakPolarHBondContact O-CG 3.43Å; Q557-L561 PolarHBondContact O-N 3.34Å; L558-L561 PolarHBondContact O-N 2.84Å; L561-S563 VanDerWaalsContact C-N 3.32Å; L561-S563 PolarHBondContact O-N 3.06Å; L561-M564 HydrophobicContact CD2-CE 3.97Å; L561-M564 CarbonylContact O-C 3.39Å; L561-M564 PolarHBondContact O-N 3.45Å; L561-M564 VanDerWaalsContact O-N 3.11Å; L561-G565 PolarHBondContact O-N 2.72Å; L561-F566 HydrophobicContact CB-CB 4.34Å; L561-F566 HydrophobicContact CD2-CD2 3.96Å; L561-F566 HydrophobicContact CD2-CE2 4.42Å; L561-F566 WeakPolarHBondContact O-CB 3.27Å; L561-F566 PolarHBondContact O-N 2.84Å; L561-N572 HydrophobicContact CB-CB 4.43Å; L561-N572 WeakPolarHBondContact CB-ND2 3.45Å; L561-N572 HydrophobicContact CD1-CB 3.68Å; L561-L576 HydrophobicContact CD1-CD1 3.55Å; L561-L576 HydrophobicContact CD1-CD2 4.44Å; L561-L576 HydrophobicContact CD1-CG 3.91Å; L561-I583 HydrophobicContact CD2-CG2 4.09Å; L561-I583 HydrophobicContact CG-CG2 4.31Å; L561-A586 HydrophobicContact CD1-CB 4.35Å; L561-I587 HydrophobicContact CD2-CG1 3.74Å; L561-L590 HydrophobicContact CD1-CD1 4.13Å; L561-L590 HydrophobicContact CD2-CD1 3.95Å
562N87.6Confident84.5Confident84 Ų8488.4 Ų88.445%0.44945%0.447SS..Hα-helixtrans-63.1-40.1176.1-164.614.7000111.2L558 Q560 M564 G565 F566L558-N562 WeakPolarHBondContact O-CB 3.33Å; L558-N562 PolarHBondContact O-N 3.35Å; Q560-N562 PolarHBondContact O-N 3.01Å; N562-M564 PolarHBondContact O-N 3.08Å; N562-G565 PolarHBondContact O-N 2.94Å; N562-F566 WeakPolarHBondContact CA-O 3.34Å
563S88.8Confident85.8Confident103 Ų10385 Ų8572%0.7243%0.425SS*.Hα-helixtrans-65.1-23.1174.1-59.50000113.6E559 Q560 L561 G565E559-S563 WeakPolarHBondContact O-CB 3.39Å; E559-S563 PolarHBondContact O-N 3.36Å; E559-S563 PolarHBondContact O-OG 2.9Å; Q560-S563 WeakPolarHBondContact O-CB 3.26Å; Q560-S563 PolarHBondContact O-N 3.49Å; L561-S563 VanDerWaalsContact C-N 3.32Å; L561-S563 PolarHBondContact O-N 3.06Å; S563-G565 VanDerWaalsContact C-N 3.33Å
564M83.6Confident86.7Confident89 Ų8980.5 Ų80.544%0.43841%0.414SS..THydrogen-bonded Turntrans-90.49.7171.3-66.2-178.5-61.800113.4Q560 L561 N562 F566 I583 I587Q560-M564 HydrophobicContact CG-CE 4.09Å; Q560-M564 WeakPolarHBondContact O-CG 3.33Å; Q560-M564 PolarHBondContact O-N 2.7Å; L561-M564 HydrophobicContact CD2-CE 3.97Å; L561-M564 CarbonylContact O-C 3.39Å; L561-M564 PolarHBondContact O-N 3.45Å; L561-M564 VanDerWaalsContact O-N 3.11Å; N562-M564 PolarHBondContact O-N 3.08Å; M564-F566 HydrophobicContact CB-CD2 4.32Å; M564-I583 HydrophobicContact CE-CG2 3.76Å; M564-I587 HydrophobicContact CE-CD1 3.7Å; M564-I587 HydrophobicContact CE-CG1 4.27Å; M564-I587 HydrophobicContact SD-CD1 4.08Å
565G86Confident87Confident55 Ų5579.2 Ų79.257%0.56741%0.409SS*.THydrogen-bonded Turntrans93.6-1.6174.700000115.5L561 N562 S563 I567L561-G565 PolarHBondContact O-N 2.72Å; N562-G565 PolarHBondContact O-N 2.94Å; S563-G565 VanDerWaalsContact C-N 3.33Å; G565-I567 PolarHBondContact O-N 2.75Å
566F85.3Confident87.2Confident41 Ų4173.9 Ų73.918%0.1838%0.384CS..  trans-80.383.9174.1-61.8-83.6000110.5L561 N562 M564 N568 N572 I587 L590 L591L561-F566 HydrophobicContact CB-CB 4.34Å; L561-F566 HydrophobicContact CD2-CD2 3.96Å; L561-F566 HydrophobicContact CD2-CE2 4.42Å; L561-F566 WeakPolarHBondContact O-CB 3.27Å; L561-F566 PolarHBondContact O-N 2.84Å; N562-F566 WeakPolarHBondContact CA-O 3.34Å; M564-F566 HydrophobicContact CB-CD2 4.32Å; F566-N568 VanDerWaalsContact C-N 3.29Å; F566-N568 PolarHBondContact O-N 3.01Å; F566-N572 VanDerWaalsContact CB-OD1 3.31Å; F566-N572 WeakPolarHBondContact CB-OD1 3.39Å; F566-N572 PolarHBondContact O-ND2 3.37Å; F566-I587 HydrophobicContact CE2-CG1 4Å; F566-I587 HydrophobicContact CE2-CG2 4.22Å; F566-I587 HydrophobicContact CZ-CG2 4.04Å; F566-L590 HydrophobicContact CB-CD1 4.36Å; F566-L590 HydrophobicContact CD1-CB 3.86Å; F566-L590 HydrophobicContact CD1-CD1 3.78Å; F566-L590 HydrophobicContact CD1-CG 4.27Å; F566-L590 HydrophobicContact CD2-CD1 4.43Å; F566-L590 HydrophobicContact CE1-CB 3.56Å; F566-L590 HydrophobicContact CE1-CD1 4.15Å; F566-L590 HydrophobicContact CE1-CG 4.42Å; F566-L590 HydrophobicContact CG-CD1 3.94Å; F566-L590 HydrophobicContact CZ-CB 4.28Å; F566-L591 HydrophobicContact CE1-CD1 3.93Å; F566-L591 HydrophobicContact CZ-CD1 3.59Å
567I86.7Confident87.3Confident132 Ų13270.1 Ų70.168%0.67737%0.368SS*.  trans-70.6-18.5-176.260.7174.2000114.7G565 R569G565-I567 PolarHBondContact O-N 2.75Å; I567-R569 PolarHBondContact O-N 3.41Å
568N86Confident87.3Confident104 Ų10470.5 Ų70.556%0.55638%0.379SS*.  trans-79.486.3-175.9-78.9-17.9000111.6F566 E570 A571 N572F566-N568 VanDerWaalsContact C-N 3.29Å; F566-N568 PolarHBondContact O-N 3.01Å; N568-E570 PolarHBondContact O-N 3.36Å; N568-E570 VanDerWaalsContact O-N 3.14Å; N568-A571 HydrophobicContact CB-CB 3.82Å; N568-A571 PolarHBondContact O-N 3.17Å; N568-N572 VanDerWaalsContact O-CG 3.28Å; N568-N572 PolarHBondContact O-N 3.24Å; N568-N572 PolarHBondContact O-OD1 2.99Å
569R85.8Confident87.4Confident138 Ų13871.6 Ų71.652%0.52139%0.386SS..Hα-helixtrans-47.8-42.7179.9-175.3178.4-78.5-154-0113.4E551 L558 I567 N572 L573E551-R569 WeakPolarHBondContact OE1-CD 3.47Å; E551-R569 IonicContact OE1-CZ 3.83Å; E551-R569 IonicContact OE1-NE 3.62Å; E551-R569 IonicContact OE1-NH1 3.45Å; E551-R569 PolarHBondContact OE1-NH1 2.88Å; L558-R569 HydrophobicContact CD2-CG 3.57Å; L558-R569 HydrophobicContact CG-CG 4.1Å; I567-R569 PolarHBondContact O-N 3.41Å; R569-N572 PolarHBondContact O-N 3.13Å; R569-L573 VanDerWaalsContact O-CB 3.26Å; R569-L573 WeakPolarHBondContact O-CB 3.46Å; R569-L573 PolarHBondContact O-N 2.83Å
570E85.9Confident87.3Confident171 Ų17168.4 Ų68.480%0.79939%0.389SS*.Hα-helixtrans-67-43178.7-71.2173.374.200113N568 L573 Q574N568-E570 PolarHBondContact O-N 3.36Å; N568-E570 VanDerWaalsContact O-N 3.14Å; E570-L573 PolarHBondContact O-N 2.8Å; E570-Q574 WeakPolarHBondContact O-CB 3.47Å; E570-Q574 PolarHBondContact O-N 2.75Å
571A87.4Confident87Confident42 Ų4264.5 Ų64.535%0.34738%0.375SS..Hα-helixtrans-65.3-42.1176.400000110.9N568 L573 Q574 A575 L590N568-A571 HydrophobicContact CB-CB 3.82Å; N568-A571 PolarHBondContact O-N 3.17Å; A571-L573 PolarHBondContact O-N 3.28Å; A571-Q574 PolarHBondContact O-N 3.5Å; A571-A575 WeakPolarHBondContact O-CB 3.28Å; A571-A575 PolarHBondContact O-N 3.21Å; A571-L590 HydrophobicContact CB-CD2 3.77Å
572N90Very high86.9Confident3 Ų368.2 Ų68.22%0.01640%0.395CS..Hα-helixtrans-59.8-46.1174.8-64.82.3000111.4L558 L561 F566 N568 R569 A575 L576L558-N572 HydrophobicContact CD1-CB 3.9Å; L561-N572 HydrophobicContact CB-CB 4.43Å; L561-N572 WeakPolarHBondContact CB-ND2 3.45Å; L561-N572 HydrophobicContact CD1-CB 3.68Å; F566-N572 VanDerWaalsContact CB-OD1 3.31Å; F566-N572 WeakPolarHBondContact CB-OD1 3.39Å; F566-N572 PolarHBondContact O-ND2 3.37Å; N568-N572 VanDerWaalsContact O-CG 3.28Å; N568-N572 PolarHBondContact O-N 3.24Å; N568-N572 PolarHBondContact O-OD1 2.99Å; R569-N572 PolarHBondContact O-N 3.13Å; N572-A575 PolarHBondContact O-N 2.94Å; N572-L576 WeakPolarHBondContact O-CB 3.36Å; N572-L576 WeakPolarHBondContact O-CG 3.39Å; N572-L576 PolarHBondContact O-N 2.98Å
573L89.1Confident86.9Confident26 Ų2665.5 Ų65.514%0.13638%0.38CS..Hα-helixtrans-63-44.6178.5-17659.1000110.9P550 E551 F554 L558 R569 E570 A571 A575 L576 I577P550-L573 HydrophobicContact CB-CD1 4.25Å; E551-L573 HydrophobicContact CB-CD1 4.35Å; E551-L573 HydrophobicContact CB-CD2 4.09Å; E551-L573 HydrophobicContact CG-CD2 4.48Å; F554-L573 HydrophobicContact CB-CD1 4.46Å; F554-L573 HydrophobicContact CD2-CD1 4.04Å; L558-L573 HydrophobicContact CD1-CB 4.09Å; L558-L573 HydrophobicContact CD1-CD1 4.35Å; R569-L573 VanDerWaalsContact O-CB 3.26Å; R569-L573 WeakPolarHBondContact O-CB 3.46Å; R569-L573 PolarHBondContact O-N 2.83Å; E570-L573 PolarHBondContact O-N 2.8Å; A571-L573 PolarHBondContact O-N 3.28Å; L573-A575 VanDerWaalsContact C-N 3.32Å; L573-A575 PolarHBondContact O-N 2.75Å; L573-L576 PolarHBondContact O-N 3.48Å; L573-I577 HydrophobicContact CD1-CD1 4.1Å; L573-I577 HydrophobicContact CD1-CG1 4.31Å; L573-I577 HydrophobicContact CG-CD1 3.83Å; L573-I577 HydrophobicContact CG-CG1 4.48Å; L573-I577 WeakPolarHBondContact O-CB 3.36Å; L573-I577 WeakPolarHBondContact O-CD1 3.31Å; L573-I577 WeakPolarHBondContact O-CG1 3.41Å; L573-I577 PolarHBondContact O-N 3.5Å
574Q88.5Confident86.9Confident118 Ų11866.1 Ų66.155%0.55138%0.375SS*.Hα-helixtrans-68.1-30.3177.8-170.568.5-15.100112.9E570 A571 A578E570-Q574 WeakPolarHBondContact O-CB 3.47Å; E570-Q574 PolarHBondContact O-N 2.75Å; A571-Q574 PolarHBondContact O-N 3.5Å; Q574-A578 WeakPolarHBondContact O-CB 3.47Å; Q574-A578 PolarHBondContact O-N 3.47Å
575A88.3Confident87.2Confident5 Ų563.4 Ų63.44%0.04137%0.367CS..Hα-helixtrans-69.2-51170.700000111A571 N572 L573 I577 A578 T579 A586 L590A571-A575 WeakPolarHBondContact O-CB 3.28Å; A571-A575 PolarHBondContact O-N 3.21Å; N572-A575 PolarHBondContact O-N 2.94Å; L573-A575 VanDerWaalsContact C-N 3.32Å; L573-A575 PolarHBondContact O-N 2.75Å; A575-I577 PolarHBondContact O-N 2.9Å; A575-A578 CarbonylContact O-C 3.59Å; A575-A578 WeakPolarHBondContact O-CA 3.45Å; A575-A578 WeakPolarHBondContact O-CB 3.44Å; A575-A578 PolarHBondContact O-N 3.03Å; A575-T579 WeakPolarHBondContact O-CG2 3.49Å; A575-T579 PolarHBondContact O-N 2.98Å; A575-T579 PolarHBondContact O-OG1 3.36Å; A575-A586 HydrophobicContact CB-CB 3.88Å; A575-L590 HydrophobicContact CB-CD1 4.23Å; A575-L590 HydrophobicContact CB-CD2 4.22Å; A575-L590 HydrophobicContact CB-CG 3.88Å
576L90.4Very high87.3Confident0 Ų060.8 Ų60.80%034%0.34CS..Hα-helixtrans-65.7-36.6-179.2-73.8162.9000113.6F554 Q557 L558 L561 N572 L573 A578 T579 G580 G581 I583 A586F554-L576 HydrophobicContact CB-CB 4.35Å; F554-L576 HydrophobicContact CB-CD1 4.21Å; F554-L576 HydrophobicContact CD1-CB 4.32Å; F554-L576 HydrophobicContact CD2-CB 4.24Å; F554-L576 HydrophobicContact CG-CB 4.06Å; Q557-L576 HydrophobicContact CB-CD1 3.54Å; Q557-L576 HydrophobicContact CB-CD2 3.76Å; Q557-L576 HydrophobicContact CB-CG 4.31Å; Q557-L576 HydrophobicContact CG-CD2 4.22Å; L558-L576 HydrophobicContact CD1-CD1 3.74Å; L561-L576 HydrophobicContact CD1-CD1 3.55Å; L561-L576 HydrophobicContact CD1-CD2 4.44Å; L561-L576 HydrophobicContact CD1-CG 3.91Å; N572-L576 WeakPolarHBondContact O-CB 3.36Å; N572-L576 WeakPolarHBondContact O-CG 3.39Å; N572-L576 PolarHBondContact O-N 2.98Å; L573-L576 PolarHBondContact O-N 3.48Å; L576-A578 VanDerWaalsContact C-N 3.28Å; L576-A578 PolarHBondContact O-N 2.75Å; L576-T579 WeakPolarHBondContact CA-OG1 3.34Å; L576-T579 PolarHBondContact O-N 3.42Å; L576-G580 PolarHBondContact O-N 2.97Å; L576-G581 PolarHBondContact O-N 3.45Å; L576-I583 HydrophobicContact CD2-CG1 4.49Å; L576-A586 HydrophobicContact CD2-CB 3.9Å; L576-A586 HydrophobicContact CG-CB 4.06Å
577I87.1Confident87.5Confident74 Ų7460.9 Ų60.938%0.37934%0.342SS..Hα-helixtrans-58.9-42.5170-72.4164.7000110.4P550 F554 L573 A575P550-I577 HydrophobicContact CB-CD1 3.81Å; P550-I577 HydrophobicContact CB-CG1 3.9Å; P550-I577 HydrophobicContact CG-CD1 3.83Å; P550-I577 HydrophobicContact CG-CG1 4.47Å; F554-I577 HydrophobicContact CD2-CG1 4.19Å; F554-I577 HydrophobicContact CE2-CB 4.47Å; F554-I577 HydrophobicContact CE2-CG1 3.77Å; L573-I577 HydrophobicContact CD1-CD1 4.1Å; L573-I577 HydrophobicContact CD1-CG1 4.31Å; L573-I577 HydrophobicContact CG-CD1 3.83Å; L573-I577 HydrophobicContact CG-CG1 4.48Å; L573-I577 WeakPolarHBondContact O-CB 3.36Å; L573-I577 WeakPolarHBondContact O-CD1 3.31Å; L573-I577 WeakPolarHBondContact O-CG1 3.41Å; L573-I577 PolarHBondContact O-N 3.5Å; A575-I577 PolarHBondContact O-N 2.9Å
578A86.8Confident87.5Confident54 Ų5461.5 Ų61.545%0.44634%0.342SS..Hα-helixtrans-76.7-22.5-178.700000114.1Q574 A575 L576Q574-A578 WeakPolarHBondContact O-CB 3.47Å; Q574-A578 PolarHBondContact O-N 3.47Å; A575-A578 CarbonylContact O-C 3.59Å; A575-A578 WeakPolarHBondContact O-CA 3.45Å; A575-A578 WeakPolarHBondContact O-CB 3.44Å; A575-A578 PolarHBondContact O-N 3.03Å; L576-A578 VanDerWaalsContact C-N 3.28Å; L576-A578 PolarHBondContact O-N 2.75Å
579T89.5Confident87.5Confident34 Ų3462.5 Ų62.521%0.20934%0.338CS..Hα-helixtrans-101.72.4178.864.10000113.3A575 L576 G581 D582 A585 A586A575-T579 WeakPolarHBondContact O-CG2 3.49Å; A575-T579 PolarHBondContact O-N 2.98Å; A575-T579 PolarHBondContact O-OG1 3.36Å; L576-T579 WeakPolarHBondContact CA-OG1 3.34Å; L576-T579 PolarHBondContact O-N 3.42Å; T579-G581 PolarHBondContact O-N 3.01Å; T579-D582 PolarHBondContact O-N 3.03Å; T579-D582 PolarHBondContact OG1-O 3.1Å; T579-A585 HydrophobicContact CG2-CB 3.58Å; T579-A586 HydrophobicContact CG2-CB 4.44Å
580G84.2Confident87.5Confident66 Ų6656.7 Ų56.768%0.6832%0.317SS*.THydrogen-bonded Turntrans69.916.8-178.800000114.3L576L576-G580 PolarHBondContact O-N 2.97Å
581G81.8Confident87.6Confident16 Ų1652.9 Ų52.917%0.16530%0.302CS..THydrogen-bonded Turntrans99.5-0.9-175.400000115.2L576 T579 I583L576-G581 PolarHBondContact O-N 3.45Å; T579-G581 PolarHBondContact O-N 3.01Å; G581-I583 PolarHBondContact O-N 3.03Å
582D87.2Confident87.3Confident78 Ų7852.8 Ų52.842%0.41731%0.305SS..  trans-70.7122.4172.8-168.4-68.1000110.8T579 N584 A585 A586T579-D582 PolarHBondContact O-N 3.03Å; T579-D582 PolarHBondContact OG1-O 3.1Å; D582-N584 WeakPolarHBondContact OD1-CA 3.44Å; D582-N584 WeakPolarHBondContact OD1-CB 3.28Å; D582-N584 PolarHBondContact OD1-N 3.36Å; D582-A585 HydrophobicContact CB-CB 4.25Å; D582-A585 PolarHBondContact OD1-N 3.31Å; D582-A586 VanDerWaalsContact O-CB 3.28Å; D582-A586 WeakPolarHBondContact O-CB 3.36Å; D582-A586 PolarHBondContact O-N 3.01Å; D582-A586 VanDerWaalsContact O-N 3.17Å
583I86.6Confident86.5Confident27 Ų2756.6 Ų56.614%0.13833%0.332CS..Hα-helixtrans-75.4-36.6-175.6-53-179.6000111.4Q557 Q560 L561 M564 L576 G581 A586 I587Q557-I583 HydrophobicContact CB-CD1 4.24Å; Q557-I583 HydrophobicContact CB-CG1 4.09Å; Q557-I583 HydrophobicContact CG-CD1 3.92Å; Q557-I583 HydrophobicContact CG-CG1 3.8Å; Q560-I583 HydrophobicContact CB-CD1 4.41Å; Q560-I583 HydrophobicContact CG-CD1 4.31Å; L561-I583 HydrophobicContact CD2-CG2 4.09Å; L561-I583 HydrophobicContact CG-CG2 4.31Å; M564-I583 HydrophobicContact CE-CG2 3.76Å; L576-I583 HydrophobicContact CD2-CG1 4.49Å; G581-I583 PolarHBondContact O-N 3.03Å; I583-A586 WeakPolarHBondContact O-CB 3.48Å; I583-A586 PolarHBondContact O-N 3.08Å; I583-I587 HydrophobicContact CG2-CD1 4.21Å; I583-I587 VanDerWaalsContact O-CG1 3.28Å; I583-I587 WeakPolarHBondContact O-CG1 3.29Å; I583-I587 PolarHBondContact O-N 3.14Å
584N88.4Confident85.5Confident115 Ų11562.4 Ų62.462%0.61536%0.358SS*.Hα-helixtrans-69.3-48.5-177.3-57.4-74.5000110.1D582 A586 I587 E588D582-N584 WeakPolarHBondContact OD1-CA 3.44Å; D582-N584 WeakPolarHBondContact OD1-CB 3.28Å; D582-N584 PolarHBondContact OD1-N 3.36Å; N584-A586 PolarHBondContact O-N 3.06Å; N584-I587 WeakPolarHBondContact O-CB 3.43Å; N584-I587 PolarHBondContact O-N 2.93Å; N584-I587 VanDerWaalsContact O-N 3.14Å; N584-E588 PolarHBondContact O-N 3.37Å
585A89.4Confident84.1Confident33 Ų3364 Ų6427%0.27337%0.37SS..Hα-helixtrans-63.1-28.717400000111.8T579 D582 R589T579-A585 HydrophobicContact CG2-CB 3.58Å; D582-A585 HydrophobicContact CB-CB 4.25Å; D582-A585 PolarHBondContact OD1-N 3.31Å; A585-R589 WeakPolarHBondContact O-CB 3.2Å; A585-R589 PolarHBondContact O-N 2.88Å; A585-R589 VanDerWaalsContact O-N 3.1Å
586A88.5Confident82.2Confident0 Ų071.3 Ų71.30%042%0.421CS..Hα-helixtrans-70-41174.600000111.5L561 A575 L576 T579 D582 I583 N584 R589 L590L561-A586 HydrophobicContact CD1-CB 4.35Å; A575-A586 HydrophobicContact CB-CB 3.88Å; L576-A586 HydrophobicContact CD2-CB 3.9Å; L576-A586 HydrophobicContact CG-CB 4.06Å; T579-A586 HydrophobicContact CG2-CB 4.44Å; D582-A586 VanDerWaalsContact O-CB 3.28Å; D582-A586 WeakPolarHBondContact O-CB 3.36Å; D582-A586 PolarHBondContact O-N 3.01Å; D582-A586 VanDerWaalsContact O-N 3.17Å; I583-A586 WeakPolarHBondContact O-CB 3.48Å; I583-A586 PolarHBondContact O-N 3.08Å; N584-A586 PolarHBondContact O-N 3.06Å; A586-R589 PolarHBondContact O-N 3.23Å; A586-L590 WeakPolarHBondContact O-CB 3.37Å; A586-L590 WeakPolarHBondContact O-CD1 3.49Å; A586-L590 WeakPolarHBondContact O-CG 3.46Å; A586-L590 PolarHBondContact O-N 3.03Å
587I89.6Confident81.8Confident42 Ų4274.9 Ų74.922%0.21544%0.442CS..Hα-helixtrans-59.7-48173-67.1162.4000110.7L561 M564 F566 I583 N584 R589 L590 L591L561-I587 HydrophobicContact CD2-CG1 3.74Å; M564-I587 HydrophobicContact CE-CD1 3.7Å; M564-I587 HydrophobicContact CE-CG1 4.27Å; M564-I587 HydrophobicContact SD-CD1 4.08Å; F566-I587 HydrophobicContact CE2-CG1 4Å; F566-I587 HydrophobicContact CE2-CG2 4.22Å; F566-I587 HydrophobicContact CZ-CG2 4.04Å; I583-I587 HydrophobicContact CG2-CD1 4.21Å; I583-I587 VanDerWaalsContact O-CG1 3.28Å; I583-I587 WeakPolarHBondContact O-CG1 3.29Å; I583-I587 PolarHBondContact O-N 3.14Å; N584-I587 WeakPolarHBondContact O-CB 3.43Å; N584-I587 PolarHBondContact O-N 2.93Å; N584-I587 VanDerWaalsContact O-N 3.14Å; I587-R589 VanDerWaalsContact C-N 3.29Å; I587-R589 PolarHBondContact O-N 2.88Å; I587-L590 PolarHBondContact O-N 3.36Å; I587-L591 HydrophobicContact CG2-CD1 4.11Å; I587-L591 PolarHBondContact O-N 2.98Å
588E87.5Confident81.5Confident145 Ų14574.9 Ų74.968%0.67845%0.445SS*.Hα-helixtrans-57.4-43.7177.1-69.5-176.4106.500111.7N584 L591 G592N584-E588 PolarHBondContact O-N 3.37Å; E588-L591 PolarHBondContact O-N 3.01Å; E588-G592 PolarHBondContact O-N 3.27Å
589R85.5Confident81.2Confident126 Ų12676.1 Ų76.148%0.47545%0.445SS..Hα-helixtrans-68.2-36.9179.1-154.3173.1-159.6-109.71.5112.6A585 A586 I587 S593A585-R589 WeakPolarHBondContact O-CB 3.2Å; A585-R589 PolarHBondContact O-N 2.88Å; A585-R589 VanDerWaalsContact O-N 3.1Å; A586-R589 PolarHBondContact O-N 3.23Å; I587-R589 VanDerWaalsContact C-N 3.29Å; I587-R589 PolarHBondContact O-N 2.88Å; R589-S593 VanDerWaalsContact O-CB 3.29Å; R589-S593 WeakPolarHBondContact O-CB 3.44Å; R589-S593 PolarHBondContact O-N 3.48Å; R589-S593 PolarHBondContact O-OG 3.32Å
590L87Confident80.8Confident15 Ų1578.6 Ų78.68%0.07946%0.459CS..Hα-helixtrans-69.1-40.3175.4-74163.6000112.1L561 F566 A571 A575 A586 I587 S593 Q594L561-L590 HydrophobicContact CD1-CD1 4.13Å; L561-L590 HydrophobicContact CD2-CD1 3.95Å; F566-L590 HydrophobicContact CB-CD1 4.36Å; F566-L590 HydrophobicContact CD1-CB 3.86Å; F566-L590 HydrophobicContact CD1-CD1 3.78Å; F566-L590 HydrophobicContact CD1-CG 4.27Å; F566-L590 HydrophobicContact CD2-CD1 4.43Å; F566-L590 HydrophobicContact CE1-CB 3.56Å; F566-L590 HydrophobicContact CE1-CD1 4.15Å; F566-L590 HydrophobicContact CE1-CG 4.42Å; F566-L590 HydrophobicContact CG-CD1 3.94Å; F566-L590 HydrophobicContact CZ-CB 4.28Å; A571-L590 HydrophobicContact CB-CD2 3.77Å; A575-L590 HydrophobicContact CB-CD1 4.23Å; A575-L590 HydrophobicContact CB-CD2 4.22Å; A575-L590 HydrophobicContact CB-CG 3.88Å; A586-L590 WeakPolarHBondContact O-CB 3.37Å; A586-L590 WeakPolarHBondContact O-CD1 3.49Å; A586-L590 WeakPolarHBondContact O-CG 3.46Å; A586-L590 PolarHBondContact O-N 3.03Å; I587-L590 PolarHBondContact O-N 3.36Å; L590-S593 CarbonylContact O-C 3.53Å; L590-S593 PolarHBondContact O-N 3.11Å; L590-Q594 PolarHBondContact O-N 3.25Å; L590-Q594 VanDerWaalsContact O-N 3.08Å
591L86Confident80.5Confident92 Ų9279.4 Ų79.448%0.48245%0.445SS..Hα-helixtrans-62.2-48.7171.8-100.964.5000111.2F566 I587 E588 S593 Q594 L595F566-L591 HydrophobicContact CE1-CD1 3.93Å; F566-L591 HydrophobicContact CZ-CD1 3.59Å; I587-L591 HydrophobicContact CG2-CD1 4.11Å; I587-L591 PolarHBondContact O-N 2.98Å; E588-L591 PolarHBondContact O-N 3.01Å; L591-S593 PolarHBondContact O-N 3.06Å; L591-Q594 PolarHBondContact O-N 3.02Å; L591-L595 VanDerWaalsContact O-CD1 3.32Å; L591-L595 WeakPolarHBondContact O-CD1 3.32Å; L591-L595 PolarHBondContact O-N 3.2Å
592G81.4Confident80.5Confident39 Ų3983.6 Ų83.640%0.40246%0.463SS..Hα-helixtrans-58.8-35176.700000113.2E588 Q594 S596E588-G592 PolarHBondContact O-N 3.27Å; G592-Q594 VanDerWaalsContact C-N 3.35Å; G592-S596 PolarHBondContact O-OG 3.3Å
593S74.5Confident80Confident83 Ų8384 Ų8458%0.5847%0.467SS*.THydrogen-bonded Turntrans-83.7-3.3178-54.90000114.4R589 L590 L591R589-S593 VanDerWaalsContact O-CB 3.29Å; R589-S593 WeakPolarHBondContact O-CB 3.44Å; R589-S593 PolarHBondContact O-N 3.48Å; R589-S593 PolarHBondContact O-OG 3.32Å; L590-S593 CarbonylContact O-C 3.53Å; L590-S593 PolarHBondContact O-N 3.11Å; L591-S593 PolarHBondContact O-N 3.06Å
594Q66.5Low79.5Confident149 Ų14988.4 Ų88.470%0.69649%0.492SS*.THydrogen-bonded Turntrans-96.9-18.5170.1-97-91.216.700112.4L590 L591 G592L590-Q594 PolarHBondContact O-N 3.25Å; L590-Q594 VanDerWaalsContact O-N 3.08Å; L591-Q594 PolarHBondContact O-N 3.02Å; G592-Q594 VanDerWaalsContact C-N 3.35Å
595L60.4Low78.7Confident152 Ų15286.2 Ų86.280%0.79648%0.482SS*.  trans-100.79.3178.3-83.982.6000113.4L591L591-L595 VanDerWaalsContact O-CD1 3.32Å; L591-L595 WeakPolarHBondContact O-CD1 3.32Å; L591-L595 PolarHBondContact O-N 3.2Å
596S48.4Very low77.8Confident158 Ų15891 Ų91100%1.10550%0.501SS*.  trans-121.70179.4-54.70000111.5G592G592-S596 PolarHBondContact O-OG 3.3Å

Retrieved 596 of 596 residues in 893.4 ms (Link to these results)