Z4YHP6_DANRE Loading...

RNA-binding protein 48

As a component of the minor spliceosome, involved in the splicing of U12-type introns in pre-mRNAs.

AlphaFold DB , UniProt , Accession Z4YHP6, Species DANRE (Danio rerio, Zebrafish), Gene rbm48, Length 364 aa.

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(Predicted Aligned Error values between residue pairs)
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M48.5Very low50.2Low227 Ų227132.2 Ų132.2100%1.11880%0.797SS**  0121.10-70.4-63172.800105.4
2D41.2Very low50.7Low168 Ų168130.8 Ų130.890%0.89878%0.782SS**  trans160.368.9155.9-76.7-9.1000107.8S4D2-S4 PolarHBondContact O-N 3.41Å
3G43.4Very low51.3Low70 Ų70129.5 Ų129.572%0.72278%0.776SS**  trans-80.5105.6164.200000107.6V5G3-V5 PolarHBondContact O-N 3.5Å
4S48.4Very low52.1Low118 Ų118129.6 Ų129.683%0.82576%0.764SS**  trans-64.996.6168.9-179.70000108.8D2 A6D2-S4 PolarHBondContact O-N 3.41Å; S4-A6 PolarHBondContact O-N 2.88Å
5V52.8Low53.4Low135 Ų135133.2 Ų133.282%0.81877%0.766SS**  trans-78.692.4167.4-175.70000106G3 S7G3-V5 PolarHBondContact O-N 3.5Å; V5-S7 PolarHBondContact O-N 3.23Å; V5-S7 VanDerWaalsContact O-N 3.07Å
6A49.1Very low55.2Low88 Ų88127.3 Ų127.373%0.72773%0.733SS**  trans-61.8111.2172.200000108.7S4 S8S4-A6 PolarHBondContact O-N 2.88Å; A6-S8 PolarHBondContact O-N 3.3Å
7S53.4Low57Low111 Ų111127.2 Ų127.278%0.77672%0.719SS**PPolyproline II helixtrans-63.4120171.654.20000109.3V5 S9V5-S7 PolarHBondContact O-N 3.23Å; V5-S7 VanDerWaalsContact O-N 3.07Å; S7-S9 PolarHBondContact O-N 3.25Å
8S52.3Low58.7Low100 Ų100129.6 Ų129.670%0.69972%0.72SS**PPolyproline II helixtrans-64.5124.2172.168.70000109A6A6-S8 PolarHBondContact O-N 3.3Å
9S57.2Low60.2Low63 Ų63126.1 Ų126.144%0.44170%0.698SS.*PPolyproline II helixtrans-59.3143.4175.6169.20000110.4S7 W11 D12S7-S9 PolarHBondContact O-N 3.25Å; S9-W11 PolarHBondContact O-N 3.5Å; S9-W11 PolarHBondContact OG-N 2.9Å; S9-W11 VanDerWaalsContact OG-N 3.1Å; S9-D12 WeakPolarHBondContact O-CB 3.42Å; S9-D12 PolarHBondContact O-N 3.28Å
10V55.8Low61.7Low143 Ų143119.8 Ų119.887%0.86766%0.663SS**THydrogen-bonded Turntrans-59.9-14.6171.2175.20000112.1
11W49.8Very low63Low231 Ų231119 Ų11988%0.87565%0.654SS**THydrogen-bonded Turntrans-104.44.8177.3-56.199.2000113.8S9 T13S9-W11 PolarHBondContact O-N 3.5Å; S9-W11 PolarHBondContact OG-N 2.9Å; S9-W11 VanDerWaalsContact OG-N 3.1Å; W11-T13 PolarHBondContact O-N 3.11Å
12D56.4Low65Low115 Ų115113.8 Ų113.862%0.61563%0.627SS**SBendtrans-76.3109.6176.9-140.24.6000107.8S9 Q14S9-D12 WeakPolarHBondContact O-CB 3.42Å; S9-D12 PolarHBondContact O-N 3.28Å; D12-Q14 PolarHBondContact O-N 2.76Å; D12-Q14 VanDerWaalsContact O-N 3.16Å
13T58.8Low67.3Low115 Ų115110.6 Ų110.671%0.70661%0.607SS**  trans-51.7124.2177.6-42.60000108.3W11 K15W11-T13 PolarHBondContact O-N 3.11Å; T13-K15 PolarHBondContact O-N 3.07Å
14Q62.9Low69.6Low131 Ų131114.7 Ų114.761%0.61261%0.612SS**  trans-49.4112.8-178.3-96.2151.3-47.200109.7D12 V16 E85D12-Q14 PolarHBondContact O-N 2.76Å; D12-Q14 VanDerWaalsContact O-N 3.16Å; Q14-V16 PolarHBondContact O-N 2.68Å; Q14-E85 PolarHBondContact OE1-O 3.18Å
15K70.3Confident71.6Confident183 Ų183112 Ų11280%0.79659%0.59SS**  trans-68.8109.7-170.6-169.7171.1-173.4166.60108.7T13 Y17T13-K15 PolarHBondContact O-N 3.07Å; K15-Y17 PolarHBondContact O-N 2.93Å
16V82.2Confident73.3Confident38 Ų38106.6 Ų106.623%0.2356%0.56CS.*  trans-47.4126.5167.6173.10000108.3Q14 K18 H20 E21 Y86 P87Q14-V16 PolarHBondContact O-N 2.68Å; V16-K18 PolarHBondContact O-N 2.98Å; V16-H20 HydrophobicContact CG1-CB 4.01Å; V16-E21 HydrophobicContact CG1-CG 3.7Å; V16-Y86 WeakPolarHBondContact CG1-OH 3.28Å; V16-Y86 HydrophobicContact CG2-CE1 4.28Å; V16-P87 HydrophobicContact CG2-CB 4.31Å; V16-P87 HydrophobicContact CG2-CG 3.25Å
17Y86.4Confident75.1Confident127 Ų127110.4 Ų110.450%0.49856%0.563SS.*  trans-61.2134.8173.7-68.8-75.8000109.5K15 H19 H20 E129K15-Y17 PolarHBondContact O-N 2.93Å; Y17-H19 VanDerWaalsContact CB-CE1 3.48Å; Y17-H19 WeakPolarHBondContact CB-CE1 3.35Å; Y17-H19 WeakPolarHBondContact CB-ND1 3.41Å; Y17-H19 AromaticContact CG-CE1 3.88Å; Y17-H19 PolarHBondContact O-N 3.37Å; Y17-H20 AromaticContact CD2-CE1 3.78Å; Y17-H20 WeakPolarHBondContact O-CB 3.49Å; Y17-H20 PolarHBondContact O-N 2.88Å; Y17-E129 HydrophobicContact CE2-CG 4.08Å
18K87.3Confident76.9Confident169 Ų169111.7 Ų111.774%0.73557%0.566SS**THydrogen-bonded Turntrans-51.8-26.7-179.2-66.1-174.3175.5-175.10114.5V16V16-K18 PolarHBondContact O-N 2.98Å
19H87Confident78.6Confident64 Ų64111.2 Ų111.230%0.29655%0.549SS..THydrogen-bonded Turntrans-85.4-9.6-179.369.1-84.1000113.5Y17 K42 E129Y17-H19 VanDerWaalsContact CB-CE1 3.48Å; Y17-H19 WeakPolarHBondContact CB-CE1 3.35Å; Y17-H19 WeakPolarHBondContact CB-ND1 3.41Å; Y17-H19 AromaticContact CG-CE1 3.88Å; Y17-H19 PolarHBondContact O-N 3.37Å; H19-K42 PolarHBondContact O-NZ 3.45Å; H19-E129 IonicContact CE1-OE2 2.75Å; H19-E129 IonicContact NE2-OE2 3.12Å
20H90.3Very high80.2Confident0 Ų0111.1 Ų111.10%055%0.547CS..THydrogen-bonded Turntrans-87.2-21.1170.5-63.1-177.6000112.3V16 Y17 L54 Y86 H123 E129V16-H20 HydrophobicContact CG1-CB 4.01Å; Y17-H20 AromaticContact CD2-CE1 3.78Å; Y17-H20 WeakPolarHBondContact O-CB 3.49Å; Y17-H20 PolarHBondContact O-N 2.88Å; H20-L54 HydrophobicContact CB-CD2 4.47Å; H20-L54 WeakPolarHBondContact ND1-CD2 3.23Å; H20-Y86 WeakPolarHBondContact CB-OH 3.48Å; H20-Y86 AromaticContact ND1-CE2 3.77Å; H20-Y86 AromaticContact ND1-CZ 3.49Å; H20-Y86 PolarHBondContact ND1-OH 2.74Å; H20-H123 PolarHBondContact O-NE2 2.77Å; H20-E129 IonicContact CE1-OE1 3.64Å; H20-E129 PolarHBondContact CE1-OE1 3.12Å; H20-E129 IonicContact NE2-OE1 3.92Å; H20-E129 PolarHBondContact NE2-OE1 3.02Å; H20-E129 VanDerWaalsContact NE2-OE1 3.14Å; H20-E129 IonicContact NE2-OE2 3.72Å
21E89.4Confident81.8Confident103 Ų103113.2 Ų113.248%0.48154%0.544SS..SBendtrans-66.2139.2177.3-64.2173.6-177.100111.2V16 Q23V16-E21 HydrophobicContact CG1-CG 3.7Å; E21-Q23 PolarHBondContact O-N 2.92Å
22Q89.7Confident83.9Confident117 Ų117110.8 Ų110.855%0.54754%0.536SS..PPolyproline II helixtrans-72.6120.2173.5-166176.713.300109.4
23Q90.2Very high85.3Confident102 Ų102113.6 Ų113.648%0.47754%0.538SS..PPolyproline II helixtrans-82.4147.2-180-70.9-175.2-31.400111.5E21 A40 V41E21-Q23 PolarHBondContact O-N 2.92Å; Q23-A40 HydrophobicContact CB-CB 3.78Å; Q23-V41 PolarHBondContact OE1-O 3.05Å
24N90.9Very high86.7Confident155 Ų155113 Ų11383%0.82953%0.527SS*.PPolyproline II helixtrans-59.9144.6173.5-70.1-41.2000112A40N24-A40 WeakPolarHBondContact O-CB 3.34Å
25V90.6Very high87.8Confident62 Ų62108.8 Ų108.838%0.37652%0.52SS..PPolyproline II helixtrans-66.5136-179.3174.50000111.1Q27 L38V25-Q27 PolarHBondContact O-N 3.32Å; V25-L38 HydrophobicContact CG1-CB 3.21Å; V25-L38 HydrophobicContact CG1-CD1 4.34Å; V25-L38 HydrophobicContact CG1-CG 4.32Å
26A88.4Confident88.7Confident22 Ų22112.4 Ų112.418%0.18253%0.529CS..  trans-80.6102.9-177.500000111.9R29 K39 V41A26-R29 HydrophobicContact CB-CG 4.28Å; A26-K39 PolarHBondContact N-O 3.36Å; A26-V41 HydrophobicContact CB-CG2 3.88Å
27Q88.9Confident89Confident168 Ų168119.9 Ų119.979%0.78555%0.552SS**  trans-86.2-17.2-180-62.6179.7-4.900114.1V25 R29V25-Q27 PolarHBondContact O-N 3.32Å; Q27-R29 VanDerWaalsContact C-N 3.27Å; Q27-R29 PolarHBondContact O-N 3.03Å
28T89.8Confident89.1Confident138 Ų138118.1 Ų118.185%0.84755%0.551SS**  trans-85.512.9-173.754.10000114.4
29R87.5Confident89.2Confident89 Ų89113.8 Ų113.834%0.33653%0.532SS..  trans-74138.4-175.3-64.7-174.9-174.8-139.27.4111A26 Q27 K31 K39 A40 V41A26-R29 HydrophobicContact CB-CG 4.28Å; Q27-R29 VanDerWaalsContact C-N 3.27Å; Q27-R29 PolarHBondContact O-N 3.03Å; R29-K31 PolarHBondContact O-N 3.01Å; R29-K39 PolarHBondContact NH2-O 3.35Å; R29-A40 PolarHBondContact NH2-O 3.05Å; R29-V41 VanDerWaalsContact NH2-CG2 3.27Å
30P90.7Very high89.3Confident62 Ų62112.1 Ų112.140%0.40353%0.53SS..  trans-58.8140170-23.433.1000111.3Y32 R33 E34P30-Y32 HydrophobicContact CB-CD1 3.59Å; P30-Y32 HydrophobicContact CB-CE1 3.26Å; P30-Y32 HydrophobicContact CG-CE1 4.01Å; P30-Y32 PolarHBondContact O-N 3.3Å; P30-R33 CarbonylContact O-C 3.55Å; P30-R33 WeakPolarHBondContact O-CA 3.48Å; P30-R33 PolarHBondContact O-N 3.43Å; P30-E34 PolarHBondContact O-N 2.98Å; P30-E34 VanDerWaalsContact O-N 3.1Å
31K91.1Very high89.2Confident186 Ų186116.5 Ų116.581%0.80956%0.557SS**G310 helixtrans-50.4-33.5-177.8-171.8173.8-177.6174.70114.3R29 R33 E34R29-K31 PolarHBondContact O-N 3.01Å; K31-R33 VanDerWaalsContact C-N 3.34Å; K31-E34 PolarHBondContact O-N 2.82Å
32Y92.8Very high89.2Confident180 Ų180114.9 Ų114.971%0.70655%0.548SS*.G310 helixtrans-76.4-15.8178.572.8-89000114.4P30P30-Y32 HydrophobicContact CB-CD1 3.59Å; P30-Y32 HydrophobicContact CB-CE1 3.26Å; P30-Y32 HydrophobicContact CG-CE1 4.01Å; P30-Y32 PolarHBondContact O-N 3.3Å
33R87.3Confident89.2Confident174 Ų174114.7 Ų114.766%0.65755%0.554SS**G310 helixtrans-108.81.9173.9-63.1-167.9168.2-173.1-2.1112.7P30 K31 G35P30-R33 CarbonylContact O-C 3.55Å; P30-R33 WeakPolarHBondContact O-CA 3.48Å; P30-R33 PolarHBondContact O-N 3.43Å; K31-R33 VanDerWaalsContact C-N 3.34Å; R33-G35 PolarHBondContact O-N 3.23Å
34E87.2Confident89.2Confident102 Ų102112.8 Ų112.848%0.47754%0.543SS..  trans-72127.2177.9-165.6179.2178.600109.4P30 K31 L38P30-E34 PolarHBondContact O-N 2.98Å; P30-E34 VanDerWaalsContact O-N 3.1Å; K31-E34 PolarHBondContact O-N 2.82Å; E34-L38 HydrophobicContact CG-CD2 4.45Å; E34-L38 WeakPolarHBondContact OE1-CD2 3.17Å
35G86.2Confident89.2Confident44 Ų44108.8 Ų108.845%0.45452%0.524SS..  trans-78.8166.6175.900000111.3R33 R37R33-G35 PolarHBondContact O-N 3.23Å; G35-R37 PolarHBondContact O-N 3.14Å
36R88.5Confident89.2Confident259 Ų259107.6 Ų107.698%0.97752%0.516SS*.SBendtrans-60.8-26.1173.1-66.1-178.2-179.8-84.20.6113.5
37R88.2Confident89.3Confident194 Ų194111 Ų11173%0.73253%0.531SS*.SBendtrans-121.8133176.7-63.6-176.3-175.6162.62.1107.6G35 K39G35-R37 PolarHBondContact O-N 3.14Å; R37-K39 PolarHBondContact O-N 3Å
38L89.2Confident89.4Confident91 Ų91106.4 Ų106.448%0.47651%0.511SS..  trans-69.5126.5175.1-56.8173.3000108.2V25 E34V25-L38 HydrophobicContact CG1-CB 3.21Å; V25-L38 HydrophobicContact CG1-CD1 4.34Å; V25-L38 HydrophobicContact CG1-CG 4.32Å; E34-L38 HydrophobicContact CG-CD2 4.45Å; E34-L38 WeakPolarHBondContact OE1-CD2 3.17Å
39K88.7Confident89.5Confident77 Ų77100.4 Ų100.434%0.33547%0.474SS..  trans-136.1147.3-178.5-68.9-164.5169.6-152.90111A26 R29 R37A26-K39 PolarHBondContact N-O 3.36Å; R29-K39 PolarHBondContact NH2-O 3.35Å; R37-K39 PolarHBondContact O-N 3Å
40A90.3Very high89.9Confident29 Ų2996.2 Ų96.224%0.2446%0.458CS..  trans-60.1154.2169.200000111.4Q23 N24 R29Q23-A40 HydrophobicContact CB-CB 3.78Å; N24-A40 WeakPolarHBondContact O-CB 3.34Å; R29-A40 PolarHBondContact NH2-O 3.05Å
41V88.1Confident90.1Very high93 Ų9395.2 Ų95.256%0.56445%0.446SS*.  trans-89.2113.1173.1177.90000107.8Q23 A26 R29Q23-V41 PolarHBondContact OE1-O 3.05Å; A26-V41 HydrophobicContact CB-CG2 3.88Å; R29-V41 VanDerWaalsContact NH2-CG2 3.27Å
42K89.1Confident90.3Very high68 Ų6887.3 Ų87.330%0.29641%0.411SS..  trans-130.8135.3175.8-166153.6173.5-179.60109.7H19 Y44H19-K42 PolarHBondContact O-NZ 3.45Å; K42-Y44 HydrophobicContact CB-CE2 4.21Å; K42-Y44 HydrophobicContact CD-CE1 4.05Å; K42-Y44 HydrophobicContact CD-CE2 4.35Å; K42-Y44 WeakPolarHBondContact CD-OH 3.44Å; K42-Y44 WeakPolarHBondContact CE-OH 3.4Å; K42-Y44 HydrophobicContact CG-CE1 4Å; K42-Y44 HydrophobicContact CG-CE2 3.93Å
43V89.3Confident90.5Very high113 Ų11378.7 Ų78.769%0.68538%0.378SS*.  trans-108.2124.4178.2-179.80000107.8
44Y90.3Very high90.9Very high62 Ų6270.4 Ų70.424%0.24335%0.346CS..  trans-108.1128.1173.3-61.5-74.1000109K42 L48 E49 K109 Y126K42-Y44 HydrophobicContact CB-CE2 4.21Å; K42-Y44 HydrophobicContact CD-CE1 4.05Å; K42-Y44 HydrophobicContact CD-CE2 4.35Å; K42-Y44 WeakPolarHBondContact CD-OH 3.44Å; K42-Y44 WeakPolarHBondContact CE-OH 3.4Å; K42-Y44 HydrophobicContact CG-CE1 4Å; K42-Y44 HydrophobicContact CG-CE2 3.93Å; Y44-L48 HydrophobicContact CD1-CB 4.36Å; Y44-E49 HydrophobicContact CG-CG 4.47Å; Y44-K109 VanDerWaalsContact OH-CE 3.26Å; Y44-K109 WeakPolarHBondContact OH-CE 3.48Å; Y44-K109 PolarHBondContact OH-NZ 3.03Å; Y44-Y126 AromaticContact CD1-CD2 3.61Å; Y44-Y126 HydrophobicContact CD1-CD2 3.61Å; Y44-Y126 AromaticContact CD1-CE2 3.82Å; Y44-Y126 HydrophobicContact CD1-CE2 3.82Å; Y44-Y126 HydrophobicContact CD2-CE2 4.3Å; Y44-Y126 AromaticContact CE1-CD2 3.44Å; Y44-Y126 HydrophobicContact CE1-CD2 3.44Å; Y44-Y126 VanDerWaalsContact CE1-CD2 3.44Å; Y44-Y126 AromaticContact CE1-CE2 3.79Å; Y44-Y126 HydrophobicContact CE1-CE2 3.79Å; Y44-Y126 HydrophobicContact CE2-CE2 4.27Å; Y44-Y126 HydrophobicContact CG-CD2 4.33Å; Y44-Y126 HydrophobicContact CG-CE2 4.08Å
45T91.3Very high91.3Very high71 Ų7165.6 Ų65.644%0.43632%0.324SS..  trans-97.8166.9165.765.90000108.4N47 L48 E49T45-N47 PolarHBondContact O-N 2.88Å; T45-L48 HydrophobicContact CG2-CD1 4.42Å; T45-L48 PolarHBondContact O-N 3.47Å; T45-L48 WeakPolarHBondContact OG1-CG 3.4Å; T45-E49 PolarHBondContact O-N 3.15Å
46I89.7Confident91.7Very high37 Ų3765.2 Ų65.219%0.1931%0.31CS..THydrogen-bonded Turntrans-55.8-27.1177.9-171.260.8000113.2L102 K139 L140 R143I46-L102 HydrophobicContact CD1-CD2 3.94Å; I46-K139 HydrophobicContact CD1-CD 4.27Å; I46-K139 HydrophobicContact CD1-CG 3.84Å; I46-K139 HydrophobicContact CG1-CD 4.44Å; I46-K139 HydrophobicContact CG1-CG 4.02Å; I46-K139 WeakPolarHBondContact O-CD 3.39Å; I46-K139 WeakPolarHBondContact O-CE 3.43Å; I46-K139 PolarHBondContact O-NZ 3.27Å; I46-L140 HydrophobicContact CG1-CD2 4.27Å; I46-L140 HydrophobicContact CG2-CD2 3.83Å; I46-R143 HydrophobicContact CD1-CB 4.1Å; I46-R143 HydrophobicContact CD1-CG 4.28Å; I46-R143 HydrophobicContact CG1-CB 4.01Å; I46-R143 HydrophobicContact CG1-CG 4.06Å
47N90.8Very high92Very high93 Ų9353.7 Ų53.750%0.49727%0.272SS..THydrogen-bonded Turntrans-80.7-28.5178.1-65.3-5.6000112.6T45T45-N47 PolarHBondContact O-N 2.88Å
48L91.8Very high92.2Very high73 Ų7344.5 Ų44.538%0.38224%0.237SC..THydrogen-bonded Turntrans-84.1-24.4178.9-65173.7000112.4Y44 T45 Y126Y44-L48 HydrophobicContact CD1-CB 4.36Å; T45-L48 HydrophobicContact CG2-CD1 4.42Å; T45-L48 PolarHBondContact O-N 3.47Å; T45-L48 WeakPolarHBondContact OG1-CG 3.4Å; L48-Y126 VanDerWaalsContact O-CB 3.24Å; L48-Y126 WeakPolarHBondContact O-CB 3.27Å
49E92.6Very high92.5Very high12 Ų1241 Ų416%0.05622%0.22CC..  trans-76.9139.9168.5-60.7-175.7151.900109Y44 T45 L102 R106 Y126 K139Y44-E49 HydrophobicContact CG-CG 4.47Å; T45-E49 PolarHBondContact O-N 3.15Å; E49-L102 HydrophobicContact CB-CD1 4.24Å; E49-R106 VanDerWaalsContact CD-NE 3.26Å; E49-R106 IonicContact OE1-CZ 3.96Å; E49-R106 IonicContact OE1-NE 2.93Å; E49-R106 PolarHBondContact OE1-NE 3.37Å; E49-R106 IonicContact OE1-NH2 3.2Å; E49-R106 WeakPolarHBondContact OE2-CD 3.38Å; E49-R106 IonicContact OE2-CZ 2.58Å; E49-R106 IonicContact OE2-NE 3.56Å; E49-R106 PolarHBondContact OE2-NE 3.4Å; E49-Y126 HydrophobicContact CG-CE2 4.16Å; E49-K139 PolarHBondContact O-NZ 2.84Å
50S94.8Very high92.6Very high0 Ų039.6 Ų39.60%022%0.223CC..  trans-140.9163.6175.660.10000112.4Y52 L102 A105 Y126 A127 E131S50-Y52 PolarHBondContact OG-O 2.92Å; S50-L102 WeakPolarHBondContact O-CD1 3.42Å; S50-A105 WeakPolarHBondContact O-CB 3.31Å; S50-Y126 WeakPolarHBondContact O-CD1 3.47Å; S50-A127 VanDerWaalsContact OG-C 3.31Å; S50-A127 PolarHBondContact OG-N 2.94Å; S50-A127 VanDerWaalsContact OG-N 3.12Å; S50-A127 PolarHBondContact OG-O 3.37Å; S50-E131 WeakPolarHBondContact CA-OE1 3.5Å; S50-E131 VanDerWaalsContact CB-CD 3.44Å; S50-E131 WeakPolarHBondContact CB-OE1 3.4Å
51R94.8Very high92.5Very high41 Ų4144.7 Ų44.716%0.15524%0.244CC..SBendtrans-70.5-21.6171.5-65.8171.562.4-164.63.3112.2E78 F99 Q100 L102 E131 E135R51-E78 IonicContact CZ-OE2 3.03Å; R51-E78 IonicContact NH1-OE2 2.78Å; R51-E78 IonicContact NH2-OE1 3.14Å; R51-E78 PolarHBondContact NH2-OE1 3.44Å; R51-E78 IonicContact NH2-OE2 2.94Å; R51-E78 PolarHBondContact NH2-OE2 3.01Å; R51-F99 VanDerWaalsContact CZ-O 3.25Å; R51-F99 PolarHBondContact NE-O 3.07Å; R51-F99 PolarHBondContact NH2-O 2.96Å; R51-F99 PolarHBondContact O-N 2.98Å; R51-Q100 VanDerWaalsContact CZ-O 3.29Å; R51-Q100 PolarHBondContact NE-O 3.44Å; R51-Q100 VanDerWaalsContact NH2-C 3.32Å; R51-Q100 PolarHBondContact NH2-O 3.29Å; R51-L102 HydrophobicContact CG-CB 4.28Å; R51-L102 HydrophobicContact CG-CD1 4.37Å; R51-E131 PolarHBondContact N-OE1 2.93Å; R51-E135 IonicContact CZ-OE1 2.94Å; R51-E135 IonicContact NH1-OE1 3.52Å; R51-E135 PolarHBondContact NH1-OE1 3.49Å
52Y96.5Very high92.6Very high20 Ų2043 Ų438%0.07825%0.246CC..EExtended strand (participates in β ladder)trans-89123.7179.2-64.4-92.3000110.5S50 L96 I97 Q98 A127 E131 E135S50-Y52 PolarHBondContact OG-O 2.92Å; Y52-L96 HydrophobicContact CD1-CD1 4.35Å; Y52-L96 HydrophobicContact CD1-CD2 4.22Å; Y52-L96 HydrophobicContact CD1-CG 4.28Å; Y52-I97 CarbonylContact C-O 3.58Å; Y52-I97 WeakPolarHBondContact CA-O 3.48Å; Y52-Q98 HydrophobicContact CD1-CB 3.85Å; Y52-Q98 HydrophobicContact CD1-CG 4.05Å; Y52-Q98 HydrophobicContact CE1-CB 3.71Å; Y52-Q98 VanDerWaalsContact CE1-CD 3.4Å; Y52-Q98 HydrophobicContact CE1-CG 3.6Å; Y52-Q98 HydrophobicContact CE2-CG 4.38Å; Y52-Q98 VanDerWaalsContact CZ-OE1 3.28Å; Y52-Q98 PolarHBondContact OH-NE2 2.89Å; Y52-Q98 PolarHBondContact OH-OE1 3.18Å; Y52-A127 PolarHBondContact O-N 3.32Å; Y52-A127 VanDerWaalsContact O-N 3.07Å; Y52-E131 HydrophobicContact CD2-CB 4.47Å; Y52-E131 HydrophobicContact CD2-CG 3.59Å; Y52-E131 HydrophobicContact CE2-CB 4.42Å; Y52-E131 HydrophobicContact CE2-CG 3.9Å; Y52-E135 WeakPolarHBondContact CE2-OE2 3.42Å; Y52-E135 PolarHBondContact OH-OE2 3.46Å
53L96.4Very high92.8Very high0 Ų040 Ų400%023%0.233CC..EExtended strand (participates in β ladder)trans-110.7132173.3-62.2-175.9000109.8F71 L96 I97 F99 A105 A108 K109 V124 C125 Y126L53-F71 HydrophobicContact CD1-CD1 4.42Å; L53-F71 HydrophobicContact CD1-CE1 3.91Å; L53-L96 WeakPolarHBondContact O-CA 3.49Å; L53-I97 PolarHBondContact N-O 3.21Å; L53-I97 PolarHBondContact O-N 3.24Å; L53-F99 HydrophobicContact CD1-CD2 4.24Å; L53-F99 HydrophobicContact CD1-CE2 3.8Å; L53-F99 HydrophobicContact CG-CD2 4.49Å; L53-F99 HydrophobicContact CG-CE2 4.46Å; L53-A105 HydrophobicContact CD1-CB 4.4Å; L53-A105 HydrophobicContact CD2-CB 4.33Å; L53-A105 HydrophobicContact CG-CB 4.25Å; L53-A108 HydrophobicContact CD1-CB 3.99Å; L53-K109 HydrophobicContact CD1-CB 4.23Å; L53-K109 HydrophobicContact CD2-CB 4.13Å; L53-K109 HydrophobicContact CD2-CG 4.43Å; L53-V124 HydrophobicContact CB-CG1 4.2Å; L53-V124 HydrophobicContact CD1-CG1 4.04Å; L53-V124 HydrophobicContact CD2-CG1 4.41Å; L53-V124 HydrophobicContact CG-CG1 4.47Å; L53-C125 CarbonylContact C-O 3.47Å; L53-C125 WeakPolarHBondContact CA-O 3.47Å; L53-Y126 HydrophobicContact CD2-CD1 3.38Å; L53-Y126 HydrophobicContact CD2-CE1 3.61Å; L53-Y126 HydrophobicContact CD2-CG 4.31Å
54L95.8Very high92.9Very high0 Ų036.5 Ų36.50%021%0.21CC..EExtended strand (participates in β ladder)trans-93.6123.3167.8-166.373.5000108.5H20 Q56 L83 Y86 V94 Y95 L96 V124 C125 A127H20-L54 HydrophobicContact CB-CD2 4.47Å; H20-L54 WeakPolarHBondContact ND1-CD2 3.23Å; L54-Q56 HydrophobicContact CD2-CG 4.42Å; L54-Q56 HydrophobicContact CG-CG 4.47Å; L54-L83 HydrophobicContact CD1-CD2 3.95Å; L54-Y86 HydrophobicContact CD2-CD1 4.5Å; L54-Y86 HydrophobicContact CD2-CE1 4.01Å; L54-Y86 HydrophobicContact CD2-CE2 4.13Å; L54-V94 HydrophobicContact CD1-CG1 3.45Å; L54-V94 VanDerWaalsContact CD1-CG1 3.45Å; L54-V94 HydrophobicContact CD2-CG1 4.33Å; L54-V94 HydrophobicContact CG-CG1 3.76Å; L54-Y95 CarbonylContact C-O 3.59Å; L54-Y95 WeakPolarHBondContact CA-O 3.39Å; L54-L96 HydrophobicContact CD1-CD1 4.49Å; L54-V124 WeakPolarHBondContact O-CA 3.44Å; L54-C125 PolarHBondContact N-O 3.47Å; L54-C125 PolarHBondContact O-N 2.86Å; L54-A127 HydrophobicContact CB-CB 4.15Å
55V95.9Very high93.1Very high0 Ų037.3 Ų37.30%023%0.23CC..EExtended strand (participates in β ladder)trans-113.9114.5-179.7-173.10000108.5V58 L67 F71 V94 Y95 I97 L122 V124V55-V58 HydrophobicContact CG1-CG2 3.76Å; V55-L67 HydrophobicContact CG1-CD1 4.33Å; V55-F71 HydrophobicContact CG1-CE2 4.41Å; V55-F71 HydrophobicContact CG1-CZ 4.43Å; V55-F71 HydrophobicContact CG2-CE1 4.29Å; V55-F71 HydrophobicContact CG2-CE2 3.89Å; V55-F71 HydrophobicContact CG2-CZ 3.51Å; V55-V94 WeakPolarHBondContact O-CA 3.32Å; V55-Y95 PolarHBondContact N-O 3.03Å; V55-Y95 PolarHBondContact O-N 3.28Å; V55-I97 HydrophobicContact CG2-CD1 3.95Å; V55-I97 HydrophobicContact CG2-CG1 4.46Å; V55-L122 HydrophobicContact CG1-CD2 4.05Å; V55-V124 HydrophobicContact CG1-CG2 4.31Å; V55-V124 HydrophobicContact CG2-CG1 4.47Å; V55-V124 HydrophobicContact CG2-CG2 4.41Å
56Q94.6Very high93.3Very high37 Ų3738.1 Ų38.117%0.17323%0.228CC..EExtended strand (participates in β ladder)trans-107.5157.7177.3-58.3177.38.700110.2L54 V94 H123L54-Q56 HydrophobicContact CD2-CG 4.42Å; L54-Q56 HydrophobicContact CG-CG 4.47Å; Q56-V94 HydrophobicContact CB-CG2 4.37Å; Q56-V94 HydrophobicContact CG-CG1 4.02Å; Q56-V94 HydrophobicContact CG-CG2 3.97Å; Q56-H123 HydrophobicContact CB-CB 4.28Å; Q56-H123 PolarHBondContact N-O 3.07Å; Q56-H123 PolarHBondContact O-N 3.44Å; Q56-H123 PolarHBondContact OE1-CD2 3Å
57G93.1Very high93.6Very high17 Ų1736.4 Ų36.418%0.17522%0.22CC..EExtended strand (participates in β ladder)trans80.126.9179.300000113.6
58V94.3Very high93.8Very high0 Ų033.4 Ų33.40%021%0.205CC..EExtended strand (participates in β ladder)trans-85.7123.3173.7-178.20000108.8V55 A60 M64 L67 T92 E93 Y95 F117 L122V55-V58 HydrophobicContact CG1-CG2 3.76Å; V58-A60 PolarHBondContact O-N 3.36Å; V58-M64 HydrophobicContact CG1-CE 3.59Å; V58-L67 HydrophobicContact CG1-CD2 4.37Å; V58-L67 HydrophobicContact CG2-CD1 4.11Å; V58-L67 HydrophobicContact CG2-CD2 3.91Å; V58-T92 CarbonylContact O-C 3.58Å; V58-T92 WeakPolarHBondContact O-CA 3.25Å; V58-E93 PolarHBondContact N-O 3.38Å; V58-E93 PolarHBondContact O-N 2.97Å; V58-Y95 HydrophobicContact CB-CD2 3.91Å; V58-Y95 HydrophobicContact CB-CE2 3.96Å; V58-Y95 HydrophobicContact CG1-CD2 4.14Å; V58-Y95 HydrophobicContact CG1-CE2 3.92Å; V58-Y95 HydrophobicContact CG2-CD2 3.82Å; V58-Y95 HydrophobicContact CG2-CE2 4.38Å; V58-F117 HydrophobicContact CG1-CE1 3.98Å; V58-L122 HydrophobicContact CG2-CD2 3.83Å
59P94.2Very high94Very high17 Ų1736.4 Ų36.411%0.1122%0.217CC..EExtended strand (participates in β ladder)trans-63.4136.1179.7-24.435.6000112.3I61 F118P59-I61 HydrophobicContact CB-CD1 3.88Å; P59-I61 HydrophobicContact CB-CG1 4.04Å; P59-I61 PolarHBondContact O-N 3.47Å; P59-F118 HydrophobicContact CG-CB 4.08Å
60A90.3Very high94.1Very high48 Ų4836.7 Ų36.740%0.39722%0.218SC..THydrogen-bonded Turntrans-71.628.1179.500000114.2V58 G62 F91 E93V58-A60 PolarHBondContact O-N 3.36Å; A60-G62 PolarHBondContact O-N 3.29Å; A60-F91 WeakPolarHBondContact CB-O 3.47Å; A60-F91 PolarHBondContact N-O 3.01Å; A60-E93 HydrophobicContact CB-CG 3.86Å
61I89.7Confident94.2Very high136 Ų13636.7 Ų36.770%0.69722%0.218SC*.THydrogen-bonded Turntrans-83.20.4179.3-52.4166.9000110.4P59 V63P59-I61 HydrophobicContact CB-CD1 3.88Å; P59-I61 HydrophobicContact CB-CG1 4.04Å; P59-I61 PolarHBondContact O-N 3.47Å; I61-V63 HydrophobicContact CB-CG2 3.78Å
62G89.6Confident94.2Very high57 Ų5737.2 Ų37.259%0.58823%0.232SC*.THydrogen-bonded Turntrans8432-177.200000113.5A60 M64A60-G62 PolarHBondContact O-N 3.29Å; G62-M64 PolarHBondContact O-N 2.96Å
63V92.7Very high94.2Very high6 Ų642.5 Ų42.54%0.03626%0.26CS..  trans-7928.9-170.9-162.50000112.7I61 E66 L67 F117 F118I61-V63 HydrophobicContact CB-CG2 3.78Å; V63-E66 HydrophobicContact CG1-CB 4.17Å; V63-E66 WeakPolarHBondContact CG1-OE2 3.44Å; V63-E66 PolarHBondContact O-N 3.12Å; V63-L67 PolarHBondContact O-N 3.38Å; V63-F117 HydrophobicContact CB-CE1 3.97Å; V63-F117 HydrophobicContact CB-CZ 4.17Å; V63-F117 HydrophobicContact CG1-CD1 4.48Å; V63-F117 HydrophobicContact CG1-CE1 3.39Å; V63-F117 HydrophobicContact CG1-CE2 4.28Å; V63-F117 HydrophobicContact CG1-CZ 3.28Å; V63-F118 HydrophobicContact CG1-CD1 4.21Å; V63-F118 HydrophobicContact CG1-CD2 3.25Å; V63-F118 HydrophobicContact CG1-CE1 4.14Å; V63-F118 HydrophobicContact CG1-CE2 3.17Å; V63-F118 HydrophobicContact CG1-CG 3.8Å; V63-F118 HydrophobicContact CG1-CZ 3.66Å; V63-F118 HydrophobicContact CG2-CG 4.48Å
64M92.6Very high94.1Very high40 Ų4044.4 Ų44.420%0.19727%0.268CS..Hα-helixtrans-72.9-46.8-164.5-72.7-5510800114.6V58 G62 E66 L67 V68 Y95V58-M64 HydrophobicContact CG1-CE 3.59Å; G62-M64 PolarHBondContact O-N 2.96Å; M64-E66 PolarHBondContact O-N 2.85Å; M64-L67 HydrophobicContact CE-CD2 4.45Å; M64-L67 PolarHBondContact O-N 3.35Å; M64-V68 WeakPolarHBondContact O-CG2 3.36Å; M64-V68 PolarHBondContact O-N 3.25Å; M64-Y95 HydrophobicContact CE-CD1 4.41Å; M64-Y95 HydrophobicContact CE-CD2 3.86Å; M64-Y95 HydrophobicContact CE-CE1 3.77Å; M64-Y95 HydrophobicContact CE-CE2 3.07Å; M64-Y95 HydrophobicContact CE-CG 4.47Å; M64-Y95 WeakPolarHBondContact CE-OH 3.44Å; M64-Y95 HydrophobicContact CG-CE1 4.24Å; M64-Y95 HydrophobicContact SD-CD1 3.58Å; M64-Y95 VanDerWaalsContact SD-CD1 3.58Å; M64-Y95 HydrophobicContact SD-CD2 4.13Å; M64-Y95 HydrophobicContact SD-CE1 2.92Å; M64-Y95 WeakPolarHBondContact SD-CE1 2.97Å; M64-Y95 HydrophobicContact SD-CE2 3.54Å; M64-Y95 VanDerWaalsContact SD-CE2 3.54Å; M64-Y95 HydrophobicContact SD-CG 4.15Å; M64-Y95 PolarHBondContact SD-OH 3.32Å
65A94.6Very high94Very high79 Ų7945 Ų4565%0.65327%0.274SS*.Hα-helixtrans-59.7-38.6178.600000111V68 Q69A65-V68 PolarHBondContact O-N 3.15Å; A65-Q69 VanDerWaalsContact O-CB 3.28Å; A65-Q69 WeakPolarHBondContact O-CB 3.41Å; A65-Q69 PolarHBondContact O-N 3.41Å
66E95.4Very high94Very high87 Ų8748.6 Ų48.641%0.40730%0.296SS..Hα-helixtrans-74.4-35.4-178-59.316613700111.3V63 M64 Q69 L70 F117 F118V63-E66 HydrophobicContact CG1-CB 4.17Å; V63-E66 WeakPolarHBondContact CG1-OE2 3.44Å; V63-E66 PolarHBondContact O-N 3.12Å; M64-E66 PolarHBondContact O-N 2.85Å; E66-Q69 PolarHBondContact O-N 2.98Å; E66-L70 WeakPolarHBondContact O-CB 3.36Å; E66-L70 PolarHBondContact O-N 2.82Å; E66-F117 HydrophobicContact CB-CZ 4.45Å; E66-F118 HydrophobicContact CB-CE2 4.27Å; E66-F118 HydrophobicContact CB-CZ 4.44Å; E66-F118 HydrophobicContact CG-CZ 4.45Å; E66-F118 WeakPolarHBondContact OE1-CZ 3.5Å; E66-F118 WeakPolarHBondContact OE2-CE2 3.45Å; E66-F118 WeakPolarHBondContact OE2-CZ 3.11Å
67L95.2Very high94.1Very high2 Ų248.5 Ų48.51%0.0130%0.296CS..Hα-helixtrans-61.6-51.4170.7-172.871.9000110.6V55 V58 V63 M64 Q69 L70 F71 Y95 I97 F117 L122V55-L67 HydrophobicContact CG1-CD1 4.33Å; V58-L67 HydrophobicContact CG1-CD2 4.37Å; V58-L67 HydrophobicContact CG2-CD1 4.11Å; V58-L67 HydrophobicContact CG2-CD2 3.91Å; V63-L67 PolarHBondContact O-N 3.38Å; M64-L67 HydrophobicContact CE-CD2 4.45Å; M64-L67 PolarHBondContact O-N 3.35Å; L67-Q69 VanDerWaalsContact C-N 3.3Å; L67-Q69 PolarHBondContact O-N 3.23Å; L67-L70 WeakPolarHBondContact O-CB 2.95Å; L67-L70 PolarHBondContact O-N 3.38Å; L67-L70 VanDerWaalsContact O-N 3.13Å; L67-F71 HydrophobicContact CD1-CD2 4.13Å; L67-F71 HydrophobicContact CD1-CE2 3.77Å; L67-F71 HydrophobicContact CG-CD2 4.18Å; L67-F71 HydrophobicContact CG-CE2 4.21Å; L67-F71 WeakPolarHBondContact O-CD2 3Å; L67-F71 PolarHBondContact O-N 2.94Å; L67-Y95 HydrophobicContact CD2-CD2 3.79Å; L67-Y95 HydrophobicContact CD2-CG 3.77Å; L67-I97 HydrophobicContact CD2-CD1 4.32Å; L67-I97 HydrophobicContact CG-CD1 4.42Å; L67-F117 HydrophobicContact CB-CZ 3.94Å; L67-F117 HydrophobicContact CD1-CE1 4.17Å; L67-F117 HydrophobicContact CD1-CE2 4.41Å; L67-F117 HydrophobicContact CD1-CZ 4.02Å; L67-L122 HydrophobicContact CD1-CD1 4.22Å
68V95.5Very high94.2Very high30 Ų3052.1 Ų52.118%0.18231%0.308CS..Hα-helixtrans-60-42.7178.2173.80000110.6M64 A65 L70 F71 A72 I77 Y80M64-V68 WeakPolarHBondContact O-CG2 3.36Å; M64-V68 PolarHBondContact O-N 3.25Å; A65-V68 PolarHBondContact O-N 3.15Å; V68-L70 VanDerWaalsContact C-N 3.33Å; V68-L70 PolarHBondContact O-N 2.97Å; V68-F71 PolarHBondContact O-N 3.25Å; V68-A72 VanDerWaalsContact O-CB 3.28Å; V68-A72 WeakPolarHBondContact O-CB 3.3Å; V68-A72 PolarHBondContact O-N 2.83Å; V68-I77 HydrophobicContact CG1-CD1 3.83Å; V68-I77 WeakPolarHBondContact O-CD1 3.28Å; V68-Y80 HydrophobicContact CG1-CD1 4.38Å; V68-Y80 HydrophobicContact CG1-CE1 4.39Å; V68-Y80 HydrophobicContact CG2-CD1 3.96Å; V68-Y80 HydrophobicContact CG2-CD2 3.75Å; V68-Y80 HydrophobicContact CG2-CE1 4.2Å; V68-Y80 HydrophobicContact CG2-CE2 4.02Å; V68-Y80 HydrophobicContact CG2-CG 3.73Å
69Q95.8Very high94.3Very high136 Ų13657.2 Ų57.264%0.63633%0.333SS*.Hα-helixtrans-61.1-40.7176-173.4177.412.100112.2A65 E66 L67 A72A65-Q69 VanDerWaalsContact O-CB 3.28Å; A65-Q69 WeakPolarHBondContact O-CB 3.41Å; A65-Q69 PolarHBondContact O-N 3.41Å; E66-Q69 PolarHBondContact O-N 2.98Å; L67-Q69 VanDerWaalsContact C-N 3.3Å; L67-Q69 PolarHBondContact O-N 3.23Å; Q69-A72 PolarHBondContact O-N 2.84Å
70L94.8Very high94.4Very high18 Ų1862.8 Ų62.89%0.09435%0.352CS..Hα-helixtrans-60.6-45.2175.817064.4000111.5E66 L67 V68 Y74 T112 K115 F117 L122E66-L70 WeakPolarHBondContact O-CB 3.36Å; E66-L70 PolarHBondContact O-N 2.82Å; L67-L70 WeakPolarHBondContact O-CB 2.95Å; L67-L70 PolarHBondContact O-N 3.38Å; L67-L70 VanDerWaalsContact O-N 3.13Å; V68-L70 VanDerWaalsContact C-N 3.33Å; V68-L70 PolarHBondContact O-N 2.97Å; L70-Y74 WeakPolarHBondContact O-CE2 3.47Å; L70-T112 HydrophobicContact CD2-CG2 4.28Å; L70-T112 HydrophobicContact CG-CG2 4.25Å; L70-K115 HydrophobicContact CD1-CD 4.3Å; L70-K115 HydrophobicContact CD2-CD 4.35Å; L70-F117 HydrophobicContact CD2-CD2 4.17Å; L70-F117 HydrophobicContact CD2-CE2 4.37Å; L70-L122 HydrophobicContact CD2-CD1 4Å
71F95.7Very high94.5Very high0 Ų066 Ų660%035%0.354CS..Hα-helixtrans-73.7-31.6180-83.1-88.6000112.6L53 V55 L67 V68 L73 Y74 I77 I97 F99 A108 T112 V124L53-F71 HydrophobicContact CD1-CD1 4.42Å; L53-F71 HydrophobicContact CD1-CE1 3.91Å; V55-F71 HydrophobicContact CG1-CE2 4.41Å; V55-F71 HydrophobicContact CG1-CZ 4.43Å; V55-F71 HydrophobicContact CG2-CE1 4.29Å; V55-F71 HydrophobicContact CG2-CE2 3.89Å; V55-F71 HydrophobicContact CG2-CZ 3.51Å; L67-F71 HydrophobicContact CD1-CD2 4.13Å; L67-F71 HydrophobicContact CD1-CE2 3.77Å; L67-F71 HydrophobicContact CG-CD2 4.18Å; L67-F71 HydrophobicContact CG-CE2 4.21Å; L67-F71 WeakPolarHBondContact O-CD2 3Å; L67-F71 PolarHBondContact O-N 2.94Å; V68-F71 PolarHBondContact O-N 3.25Å; F71-L73 PolarHBondContact O-N 3.49Å; F71-Y74 PolarHBondContact O-N 3.01Å; F71-I77 HydrophobicContact CB-CD1 3.85Å; F71-I97 HydrophobicContact CB-CD1 4.26Å; F71-I97 HydrophobicContact CD1-CD1 4.17Å; F71-I97 HydrophobicContact CD2-CD1 3.47Å; F71-I97 VanDerWaalsContact CD2-CD1 3.47Å; F71-I97 HydrophobicContact CE1-CD1 4.41Å; F71-I97 HydrophobicContact CE2-CD1 3.77Å; F71-I97 HydrophobicContact CG-CD1 3.7Å; F71-I97 HydrophobicContact CZ-CD1 4.23Å; F71-F99 HydrophobicContact CB-CZ 3.93Å; F71-F99 AromaticContact CD1-CE2 3.85Å; F71-F99 HydrophobicContact CD1-CE2 3.85Å; F71-F99 AromaticContact CD1-CZ 3.75Å; F71-F99 HydrophobicContact CD1-CZ 3.75Å; F71-F99 HydrophobicContact CG-CZ 4.32Å; F71-A108 HydrophobicContact CD1-CB 3.76Å; F71-A108 HydrophobicContact CE1-CB 3.98Å; F71-T112 HydrophobicContact CE1-CG2 4.12Å; F71-T112 WeakPolarHBondContact CE1-OG1 3.35Å; F71-T112 HydrophobicContact CE2-CG2 4.45Å; F71-T112 HydrophobicContact CZ-CG2 4.08Å; F71-V124 HydrophobicContact CZ-CG2 4.23Å
72A96.1Very high94.7Very high52 Ų5262.3 Ų62.343%0.4334%0.339SS..Hα-helixtrans-61.7-23.2177.400000113.3V68 Q69 Y74 G75 I77V68-A72 VanDerWaalsContact O-CB 3.28Å; V68-A72 WeakPolarHBondContact O-CB 3.3Å; V68-A72 PolarHBondContact O-N 2.83Å; Q69-A72 PolarHBondContact O-N 2.84Å; A72-Y74 PolarHBondContact O-N 3.41Å; A72-G75 PolarHBondContact O-N 3.24Å; A72-I77 HydrophobicContact CB-CD1 4.21Å
73L95.4Very high94.8Very high130 Ų13060 Ų6068%0.68131%0.313SS*.THydrogen-bonded Turntrans-61.8-26.6173.9-64.7175.9000113.1F71F71-L73 PolarHBondContact O-N 3.49Å
74Y94.9Very high94.6Very high40 Ų4065.9 Ų65.916%0.15734%0.344CS..THydrogen-bonded Turntrans-96.2-21.2-175-57.8-72.7000113.1L70 F71 A72 S104 A108 H111 T112 N242L70-Y74 WeakPolarHBondContact O-CE2 3.47Å; F71-Y74 PolarHBondContact O-N 3.01Å; A72-Y74 PolarHBondContact O-N 3.41Å; Y74-S104 PolarHBondContact O-OG 3.49Å; Y74-A108 HydrophobicContact CD2-CB 3.89Å; Y74-A108 HydrophobicContact CG-CB 4.01Å; Y74-H111 HydrophobicContact CE1-CB 3.68Å; Y74-H111 AromaticContact CE1-CG 3.81Å; Y74-H111 AromaticContact CE1-ND1 3.98Å; Y74-H111 VanDerWaalsContact OH-CB 3.26Å; Y74-H111 WeakPolarHBondContact OH-CB 3.37Å; Y74-T112 HydrophobicContact CD2-CG2 4.31Å; Y74-T112 HydrophobicContact CE2-CG2 3.56Å; Y74-N242 PolarHBondContact O-ND2 3.39Å
75G94.4Very high94.2Very high13 Ų1369.8 Ų69.813%0.13436%0.362CS..SBendtrans171.5178.5176.200000113.6A72A72-G75 PolarHBondContact O-N 3.24Å
76V96.2Very high93.9Very high76 Ų7667.1 Ų67.146%0.46134%0.335SS..  trans-73.1126.8179.3-176.30000109.9Q100V76-Q100 HydrophobicContact CB-CB 4.24Å; V76-Q100 PolarHBondContact O-N 3.31Å
77I96.7Very high93.5Very high34 Ų3465.4 Ų65.417%0.17433%0.331CS..EExtended strand (participates in β ladder)trans-91.8130.7175.7-60.4168.6000107.8V68 F71 A72 E79 Y80 I97 Q98 F99V68-I77 HydrophobicContact CG1-CD1 3.83Å; V68-I77 WeakPolarHBondContact O-CD1 3.28Å; F71-I77 HydrophobicContact CB-CD1 3.85Å; A72-I77 HydrophobicContact CB-CD1 4.21Å; I77-E79 WeakPolarHBondContact CG2-O 3.48Å; I77-Y80 HydrophobicContact CG2-CD1 4.37Å; I77-I97 HydrophobicContact CD1-CG2 4.37Å; I77-I97 HydrophobicContact CG1-CG2 4.28Å; I77-I97 HydrophobicContact CG2-CG2 4.04Å; I77-Q98 WeakPolarHBondContact CA-O 3.31Å; I77-F99 HydrophobicContact CG1-CD1 4.39Å; I77-F99 HydrophobicContact CG1-CE1 3.98Å; I77-F99 HydrophobicContact CG1-CZ 4.35Å
78E95.2Very high93Very high93 Ų9367.8 Ų67.844%0.43535%0.352SS..EExtended strand (participates in β ladder)trans-89.6-47.8175.1-75.9-177.3172.900111.3R51 Q98 Q100R51-E78 IonicContact CZ-OE2 3.03Å; R51-E78 IonicContact NH1-OE2 2.78Å; R51-E78 IonicContact NH2-OE1 3.14Å; R51-E78 PolarHBondContact NH2-OE1 3.44Å; R51-E78 IonicContact NH2-OE2 2.94Å; R51-E78 PolarHBondContact NH2-OE2 3.01Å; E78-Q98 HydrophobicContact CB-CG 4.16Å; E78-Q98 PolarHBondContact N-O 3Å; E78-Q98 PolarHBondContact OE2-NE2 3.4Å; E78-Q100 HydrophobicContact CG-CB 4.1Å; E78-Q100 WeakPolarHBondContact OE1-CG 3.43Å
79E95.6Very high92.6Very high108 Ų10873.5 Ų73.551%0.50538%0.376SS..EExtended strand (participates in β ladder)trans-142.7146.9-177-170.5176.1168.900109.7I77 Q98I77-E79 WeakPolarHBondContact CG2-O 3.48Å; E79-Q98 HydrophobicContact CB-CB 4.06Å; E79-Q98 PolarHBondContact O-N 3.44Å
80Y95.6Very high92.3Very high133 Ų13374.5 Ų74.552%0.52238%0.381SS..EExtended strand (participates in β ladder)trans-140.3135.5167.463.4-87.3000108.9V68 I77 L96V68-Y80 HydrophobicContact CG1-CD1 4.38Å; V68-Y80 HydrophobicContact CG1-CE1 4.39Å; V68-Y80 HydrophobicContact CG2-CD1 3.96Å; V68-Y80 HydrophobicContact CG2-CD2 3.75Å; V68-Y80 HydrophobicContact CG2-CE1 4.2Å; V68-Y80 HydrophobicContact CG2-CE2 4.02Å; V68-Y80 HydrophobicContact CG2-CG 3.73Å; I77-Y80 HydrophobicContact CG2-CD1 4.37Å; Y80-L96 CarbonylContact C-O 3.58Å; Y80-L96 VanDerWaalsContact CA-O 3.28Å; Y80-L96 WeakPolarHBondContact CA-O 3.42Å
81R94Very high92Very high117 Ų11781.8 Ų81.844%0.44241%0.412SS..EExtended strand (participates in β ladder)trans-139.3133.4-176.7176.2174.3-176.7-137-3.9111E85 L96R81-E85 IonicContact NH2-OE1 2.68Å; R81-L96 PolarHBondContact N-O 3.49Å; R81-L96 PolarHBondContact O-N 3.06Å
82P93.7Very high91.9Very high57 Ų5783.2 Ų83.237%0.3742%0.421SS..EExtended strand (participates in β ladder)trans-66.2133164.325.3-30.1000110.2Y95P82-Y95 HydrophobicContact CB-CD1 4.27Å; P82-Y95 HydrophobicContact CB-CE1 3.47Å; P82-Y95 VanDerWaalsContact CB-CE1 3.47Å; P82-Y95 HydrophobicContact CG-CE1 4.36Å
83L91.5Very high91.7Very high8 Ų883.4 Ų83.44%0.04241%0.413CS..  trans-112.275.5-178.6-165.868.5000110.1L54 E85 Y86 V94 Y130L54-L83 HydrophobicContact CD1-CD2 3.95Å; L83-E85 PolarHBondContact O-N 3.4Å; L83-Y86 HydrophobicContact CD2-CD2 3.83Å; L83-Y86 HydrophobicContact CD2-CG 4.01Å; L83-Y86 WeakPolarHBondContact O-CB 3.49Å; L83-Y86 PolarHBondContact O-N 3.35Å; L83-Y86 VanDerWaalsContact O-N 3.12Å; L83-V94 PolarHBondContact N-O 3.09Å; L83-Y130 VanDerWaalsContact CD2-OH 3.25Å; L83-Y130 WeakPolarHBondContact CD2-OH 3.35Å
84D87.2Confident91.7Very high131 Ų13177.4 Ų77.470%0.70138%0.382SS*.THydrogen-bonded Turntrans-65.5-26.4-178.4-54.4-19.9000112.7Y86D84-Y86 PolarHBondContact O-N 2.58Å
85E85.7Confident91.7Very high122 Ų12275.9 Ų75.957%0.5738%0.376SS*.THydrogen-bonded Turntrans-70.8-15.1176.9-64.2167.9-151.900112.6Q14 R81 L83Q14-E85 PolarHBondContact OE1-O 3.18Å; R81-E85 IonicContact NH2-OE1 2.68Å; L83-E85 PolarHBondContact O-N 3.4Å
86Y87Confident91.8Very high23 Ų2376.3 Ų76.39%0.0938%0.375CS..SBendtrans-84.6134.5-179.3-156.9-92.2000110.4V16 H20 L54 L83 D84 A88 V94V16-Y86 WeakPolarHBondContact CG1-OH 3.28Å; V16-Y86 HydrophobicContact CG2-CE1 4.28Å; H20-Y86 WeakPolarHBondContact CB-OH 3.48Å; H20-Y86 AromaticContact ND1-CE2 3.77Å; H20-Y86 AromaticContact ND1-CZ 3.49Å; H20-Y86 PolarHBondContact ND1-OH 2.74Å; L54-Y86 HydrophobicContact CD2-CD1 4.5Å; L54-Y86 HydrophobicContact CD2-CE1 4.01Å; L54-Y86 HydrophobicContact CD2-CE2 4.13Å; L83-Y86 HydrophobicContact CD2-CD2 3.83Å; L83-Y86 HydrophobicContact CD2-CG 4.01Å; L83-Y86 WeakPolarHBondContact O-CB 3.49Å; L83-Y86 PolarHBondContact O-N 3.35Å; L83-Y86 VanDerWaalsContact O-N 3.12Å; D84-Y86 PolarHBondContact O-N 2.58Å; Y86-A88 PolarHBondContact O-N 3.2Å; Y86-V94 HydrophobicContact CD1-CB 4.42Å; Y86-V94 HydrophobicContact CD1-CG1 4.06Å; Y86-V94 HydrophobicContact CD1-CG2 4.08Å; Y86-V94 HydrophobicContact CG-CG1 4.27Å
87P86.7Confident91.8Very high50 Ų5072.7 Ų72.733%0.32535%0.353SS..  trans-62.1115.5178.326.9-36.3000110.3V16V16-P87 HydrophobicContact CG2-CB 4.31Å; V16-P87 HydrophobicContact CG2-CG 3.25Å
88A85Confident91.8Very high53 Ų5372 Ų7244%0.43835%0.349SS..  trans-115.1158.3-179.100000110.9Y86 T92 V94Y86-A88 PolarHBondContact O-N 3.2Å; A88-T92 WeakPolarHBondContact CB-O 3.45Å; A88-V94 HydrophobicContact CB-CG2 3.82Å
89E87.4Confident91.9Very high150 Ų15067.5 Ų67.570%0.70133%0.328SS*.  trans-70153.9170.3-178.2177.8-176.500110F91 T92E89-F91 PolarHBondContact O-N 3.42Å; E89-T92 WeakPolarHBondContact CA-OG1 3.37Å; E89-T92 HydrophobicContact CB-CG2 4.2Å; E89-T92 WeakPolarHBondContact CB-OG1 2.89Å; E89-T92 PolarHBondContact N-OG1 2.91Å; E89-T92 VanDerWaalsContact N-OG1 3.15Å; E89-T92 PolarHBondContact O-N 2.88Å; E89-T92 PolarHBondContact O-OG1 3.25Å
90E89.2Confident91.8Very high157 Ų15766.9 Ų66.973%0.73433%0.325SS*.THydrogen-bonded Turntrans-51.9135.1177.6-63.1-178.8-179.300111.4T92E90-T92 PolarHBondContact O-N 2.85Å; E90-T92 VanDerWaalsContact O-N 3.13Å
91F88.9Confident91.6Very high171 Ų17165.3 Ų65.375%0.7532%0.321SS*.THydrogen-bonded Turntrans61.814.1-178.4-43.1-76000115A60 E89A60-F91 WeakPolarHBondContact CB-O 3.47Å; A60-F91 PolarHBondContact N-O 3.01Å; E89-F91 PolarHBondContact O-N 3.42Å
92T93.3Very high91.6Very high30 Ų3061.5 Ų61.518%0.18431%0.309CS..EExtended strand (participates in β ladder)trans-117.7149172.373.60000111.5V58 A88 E89 E90V58-T92 CarbonylContact O-C 3.58Å; V58-T92 WeakPolarHBondContact O-CA 3.25Å; A88-T92 WeakPolarHBondContact CB-O 3.45Å; E89-T92 WeakPolarHBondContact CA-OG1 3.37Å; E89-T92 HydrophobicContact CB-CG2 4.2Å; E89-T92 WeakPolarHBondContact CB-OG1 2.89Å; E89-T92 PolarHBondContact N-OG1 2.91Å; E89-T92 VanDerWaalsContact N-OG1 3.15Å; E89-T92 PolarHBondContact O-N 2.88Å; E89-T92 PolarHBondContact O-OG1 3.25Å; E90-T92 PolarHBondContact O-N 2.85Å; E90-T92 VanDerWaalsContact O-N 3.13Å
93E93Very high91.5Very high56 Ų5660.3 Ų60.326%0.26230%0.301SS..EExtended strand (participates in β ladder)trans-117.5155.7177.5-71.9166.6167.900109.2V58 A60 Y95V58-E93 PolarHBondContact N-O 3.38Å; V58-E93 PolarHBondContact O-N 2.97Å; A60-E93 HydrophobicContact CB-CG 3.86Å; E93-Y95 HydrophobicContact CB-CE2 3.51Å; E93-Y95 PolarHBondContact OE2-OH 2.97Å
94V94.4Very high91.6Very high3 Ų360.1 Ų60.12%0.01830%0.3CS..EExtended strand (participates in β ladder)trans-115.1134.8179.4179.60000109.3L54 V55 Q56 L83 Y86 A88L54-V94 HydrophobicContact CD1-CG1 3.45Å; L54-V94 VanDerWaalsContact CD1-CG1 3.45Å; L54-V94 HydrophobicContact CD2-CG1 4.33Å; L54-V94 HydrophobicContact CG-CG1 3.76Å; V55-V94 WeakPolarHBondContact O-CA 3.32Å; Q56-V94 HydrophobicContact CB-CG2 4.37Å; Q56-V94 HydrophobicContact CG-CG1 4.02Å; Q56-V94 HydrophobicContact CG-CG2 3.97Å; L83-V94 PolarHBondContact N-O 3.09Å; Y86-V94 HydrophobicContact CD1-CB 4.42Å; Y86-V94 HydrophobicContact CD1-CG1 4.06Å; Y86-V94 HydrophobicContact CD1-CG2 4.08Å; Y86-V94 HydrophobicContact CG-CG1 4.27Å; A88-V94 HydrophobicContact CB-CG2 3.82Å
95Y95.4Very high92Very high9 Ų953.9 Ų53.94%0.03527%0.267CS..EExtended strand (participates in β ladder)trans-118.7138.1-177.9-72.6-81.7000111.8L54 V55 V58 M64 L67 P82 E93L54-Y95 CarbonylContact C-O 3.59Å; L54-Y95 WeakPolarHBondContact CA-O 3.39Å; V55-Y95 PolarHBondContact N-O 3.03Å; V55-Y95 PolarHBondContact O-N 3.28Å; V58-Y95 HydrophobicContact CB-CD2 3.91Å; V58-Y95 HydrophobicContact CB-CE2 3.96Å; V58-Y95 HydrophobicContact CG1-CD2 4.14Å; V58-Y95 HydrophobicContact CG1-CE2 3.92Å; V58-Y95 HydrophobicContact CG2-CD2 3.82Å; V58-Y95 HydrophobicContact CG2-CE2 4.38Å; M64-Y95 HydrophobicContact CE-CD1 4.41Å; M64-Y95 HydrophobicContact CE-CD2 3.86Å; M64-Y95 HydrophobicContact CE-CE1 3.77Å; M64-Y95 HydrophobicContact CE-CE2 3.07Å; M64-Y95 HydrophobicContact CE-CG 4.47Å; M64-Y95 WeakPolarHBondContact CE-OH 3.44Å; M64-Y95 HydrophobicContact CG-CE1 4.24Å; M64-Y95 HydrophobicContact SD-CD1 3.58Å; M64-Y95 VanDerWaalsContact SD-CD1 3.58Å; M64-Y95 HydrophobicContact SD-CD2 4.13Å; M64-Y95 HydrophobicContact SD-CE1 2.92Å; M64-Y95 WeakPolarHBondContact SD-CE1 2.97Å; M64-Y95 HydrophobicContact SD-CE2 3.54Å; M64-Y95 VanDerWaalsContact SD-CE2 3.54Å; M64-Y95 HydrophobicContact SD-CG 4.15Å; M64-Y95 PolarHBondContact SD-OH 3.32Å; L67-Y95 HydrophobicContact CD2-CD2 3.79Å; L67-Y95 HydrophobicContact CD2-CG 3.77Å; P82-Y95 HydrophobicContact CB-CD1 4.27Å; P82-Y95 HydrophobicContact CB-CE1 3.47Å; P82-Y95 VanDerWaalsContact CB-CE1 3.47Å; P82-Y95 HydrophobicContact CG-CE1 4.36Å; E93-Y95 HydrophobicContact CB-CE2 3.51Å; E93-Y95 PolarHBondContact OE2-OH 2.97Å
96L96Very high92.4Very high21 Ų2149.5 Ų49.511%0.1125%0.245CC..EExtended strand (participates in β ladder)trans-99.5122.2165.3-171.669.5000108.4Y52 L53 L54 Y80 R81 A127 Y130Y52-L96 HydrophobicContact CD1-CD1 4.35Å; Y52-L96 HydrophobicContact CD1-CD2 4.22Å; Y52-L96 HydrophobicContact CD1-CG 4.28Å; L53-L96 WeakPolarHBondContact O-CA 3.49Å; L54-L96 HydrophobicContact CD1-CD1 4.49Å; Y80-L96 CarbonylContact C-O 3.58Å; Y80-L96 VanDerWaalsContact CA-O 3.28Å; Y80-L96 WeakPolarHBondContact CA-O 3.42Å; R81-L96 PolarHBondContact N-O 3.49Å; R81-L96 PolarHBondContact O-N 3.06Å; L96-A127 HydrophobicContact CD1-CB 4.1Å; L96-Y130 HydrophobicContact CD1-CD2 3.77Å; L96-Y130 HydrophobicContact CD1-CE2 4.1Å; L96-Y130 HydrophobicContact CD1-CG 4.06Å; L96-Y130 HydrophobicContact CD2-CD1 3.63Å; L96-Y130 HydrophobicContact CD2-CD2 4.24Å; L96-Y130 HydrophobicContact CD2-CE1 4.03Å; L96-Y130 HydrophobicContact CD2-CG 3.75Å
97I96.9Very high92.7Very high1 Ų149.2 Ų49.21%0.00525%0.247CC..EExtended strand (participates in β ladder)trans-119.8123.2178.1-58.8178.6000108.8Y52 L53 V55 L67 F71 I77 F99Y52-I97 CarbonylContact C-O 3.58Å; Y52-I97 WeakPolarHBondContact CA-O 3.48Å; L53-I97 PolarHBondContact N-O 3.21Å; L53-I97 PolarHBondContact O-N 3.24Å; V55-I97 HydrophobicContact CG2-CD1 3.95Å; V55-I97 HydrophobicContact CG2-CG1 4.46Å; L67-I97 HydrophobicContact CD2-CD1 4.32Å; L67-I97 HydrophobicContact CG-CD1 4.42Å; F71-I97 HydrophobicContact CB-CD1 4.26Å; F71-I97 HydrophobicContact CD1-CD1 4.17Å; F71-I97 HydrophobicContact CD2-CD1 3.47Å; F71-I97 VanDerWaalsContact CD2-CD1 3.47Å; F71-I97 HydrophobicContact CE1-CD1 4.41Å; F71-I97 HydrophobicContact CE2-CD1 3.77Å; F71-I97 HydrophobicContact CG-CD1 3.7Å; F71-I97 HydrophobicContact CZ-CD1 4.23Å; I77-I97 HydrophobicContact CD1-CG2 4.37Å; I77-I97 HydrophobicContact CG1-CG2 4.28Å; I77-I97 HydrophobicContact CG2-CG2 4.04Å; I97-F99 HydrophobicContact CG2-CD2 4.33Å; I97-F99 HydrophobicContact CG2-CE2 3.94Å; I97-F99 HydrophobicContact CG2-CZ 4.45Å
98Q96.4Very high93.2Very high18 Ų1846.8 Ų46.88%0.08423%0.232CC..EExtended strand (participates in β ladder)trans-102.1123.7176.9-179.2177.7-2100110.6Y52 I77 E78 E79Y52-Q98 HydrophobicContact CD1-CB 3.85Å; Y52-Q98 HydrophobicContact CD1-CG 4.05Å; Y52-Q98 HydrophobicContact CE1-CB 3.71Å; Y52-Q98 VanDerWaalsContact CE1-CD 3.4Å; Y52-Q98 HydrophobicContact CE1-CG 3.6Å; Y52-Q98 HydrophobicContact CE2-CG 4.38Å; Y52-Q98 VanDerWaalsContact CZ-OE1 3.28Å; Y52-Q98 PolarHBondContact OH-NE2 2.89Å; Y52-Q98 PolarHBondContact OH-OE1 3.18Å; I77-Q98 WeakPolarHBondContact CA-O 3.31Å; E78-Q98 HydrophobicContact CB-CG 4.16Å; E78-Q98 PolarHBondContact N-O 3Å; E78-Q98 PolarHBondContact OE2-NE2 3.4Å; E79-Q98 HydrophobicContact CB-CB 4.06Å; E79-Q98 PolarHBondContact O-N 3.44Å
99F96.3Very high93.6Very high0 Ų045.4 Ų45.40%022%0.216CC..EExtended strand (participates in β ladder)trans-94.1150.7173.3-80.9-83.3000112.7R51 L53 F71 I77 I97 K101 A105 A108R51-F99 VanDerWaalsContact CZ-O 3.25Å; R51-F99 PolarHBondContact NE-O 3.07Å; R51-F99 PolarHBondContact NH2-O 2.96Å; R51-F99 PolarHBondContact O-N 2.98Å; L53-F99 HydrophobicContact CD1-CD2 4.24Å; L53-F99 HydrophobicContact CD1-CE2 3.8Å; L53-F99 HydrophobicContact CG-CD2 4.49Å; L53-F99 HydrophobicContact CG-CE2 4.46Å; F71-F99 HydrophobicContact CB-CZ 3.93Å; F71-F99 AromaticContact CD1-CE2 3.85Å; F71-F99 HydrophobicContact CD1-CE2 3.85Å; F71-F99 AromaticContact CD1-CZ 3.75Å; F71-F99 HydrophobicContact CD1-CZ 3.75Å; F71-F99 HydrophobicContact CG-CZ 4.32Å; I77-F99 HydrophobicContact CG1-CD1 4.39Å; I77-F99 HydrophobicContact CG1-CE1 3.98Å; I77-F99 HydrophobicContact CG1-CZ 4.35Å; I97-F99 HydrophobicContact CG2-CD2 4.33Å; I97-F99 HydrophobicContact CG2-CE2 3.94Å; I97-F99 HydrophobicContact CG2-CZ 4.45Å; F99-K101 VanDerWaalsContact C-N 3.3Å; F99-K101 PolarHBondContact O-N 3.27Å; F99-A105 HydrophobicContact CB-CB 4.17Å; F99-A105 HydrophobicContact CD2-CB 3.86Å; F99-A105 HydrophobicContact CG-CB 4.22Å; F99-A108 HydrophobicContact CE2-CB 3.94Å; F99-A108 HydrophobicContact CZ-CB 3.78Å
100Q93.9Very high93.9Very high95 Ų9545.5 Ų45.544%0.44421%0.21SC..SBendtrans-62.5-37.3170.5-171.9174.447.700112.6R51 V76 E78R51-Q100 VanDerWaalsContact CZ-O 3.29Å; R51-Q100 PolarHBondContact NE-O 3.44Å; R51-Q100 VanDerWaalsContact NH2-C 3.32Å; R51-Q100 PolarHBondContact NH2-O 3.29Å; V76-Q100 HydrophobicContact CB-CB 4.24Å; V76-Q100 PolarHBondContact O-N 3.31Å; E78-Q100 HydrophobicContact CG-CB 4.1Å; E78-Q100 WeakPolarHBondContact OE1-CG 3.43Å
101K92.6Very high94Very high100 Ų10043.4 Ų43.444%0.43520%0.2SC..SBendtrans-123.2140.3-175.4-63.1-177.5-177.3177.10111.2F99 T103 S104 A105F99-K101 VanDerWaalsContact C-N 3.3Å; F99-K101 PolarHBondContact O-N 3.27Å; K101-T103 VanDerWaalsContact C-N 3.28Å; K101-T103 PolarHBondContact O-N 3.49Å; K101-S104 WeakPolarHBondContact O-CB 3.33Å; K101-S104 PolarHBondContact O-N 2.97Å; K101-A105 PolarHBondContact O-N 3.23Å
102L92.4Very high94.3Very high36 Ų3635.2 Ų35.219%0.18816%0.164CC..Hα-helixtrans-61-38174.9-176.168.9000112I46 E49 S50 R51 S104 A105 R106 K139I46-L102 HydrophobicContact CD1-CD2 3.94Å; E49-L102 HydrophobicContact CB-CD1 4.24Å; S50-L102 WeakPolarHBondContact O-CD1 3.42Å; R51-L102 HydrophobicContact CG-CB 4.28Å; R51-L102 HydrophobicContact CG-CD1 4.37Å; L102-S104 VanDerWaalsContact C-N 3.3Å; L102-S104 PolarHBondContact O-N 2.87Å; L102-A105 PolarHBondContact O-N 3.25Å; L102-R106 HydrophobicContact CG-CG 4.48Å; L102-R106 VanDerWaalsContact O-CG 3.31Å; L102-R106 WeakPolarHBondContact O-CG 3.38Å; L102-R106 PolarHBondContact O-N 3.48Å; L102-K139 HydrophobicContact CD1-CD 4.39Å; L102-K139 HydrophobicContact CD2-CD 3.99Å; L102-K139 HydrophobicContact CD2-CG 3.98Å
103T91.8Very high94.4Very high32 Ų3235.2 Ų35.220%0.19616%0.163CC..Hα-helixtrans-61-39.7177.950.90000112.1K101 R106 A107K101-T103 VanDerWaalsContact C-N 3.28Å; K101-T103 PolarHBondContact O-N 3.49Å; T103-R106 PolarHBondContact O-N 2.94Å; T103-A107 WeakPolarHBondContact O-CB 3.43Å; T103-A107 PolarHBondContact O-N 2.92Å
104S94.3Very high94.3Very high4 Ų435.7 Ų35.73%0.02817%0.165CC..Hα-helixtrans-65-43.4175.8-60.80000111.7Y74 K101 L102 R106 A107 A108Y74-S104 PolarHBondContact O-OG 3.49Å; K101-S104 WeakPolarHBondContact O-CB 3.33Å; K101-S104 PolarHBondContact O-N 2.97Å; L102-S104 VanDerWaalsContact C-N 3.3Å; L102-S104 PolarHBondContact O-N 2.87Å; S104-R106 VanDerWaalsContact C-N 3.33Å; S104-R106 PolarHBondContact O-N 2.8Å; S104-A107 PolarHBondContact O-N 3.01Å; S104-A108 WeakPolarHBondContact O-CB 3.25Å; S104-A108 PolarHBondContact O-N 3.07Å
105A94.9Very high94.3Very high0 Ų039.2 Ų39.20%018%0.18CC..Hα-helixtrans-59.3-43.6173.600000111.7S50 L53 F99 K101 L102 A107 A108 K109S50-A105 WeakPolarHBondContact O-CB 3.31Å; L53-A105 HydrophobicContact CD1-CB 4.4Å; L53-A105 HydrophobicContact CD2-CB 4.33Å; L53-A105 HydrophobicContact CG-CB 4.25Å; F99-A105 HydrophobicContact CB-CB 4.17Å; F99-A105 HydrophobicContact CD2-CB 3.86Å; F99-A105 HydrophobicContact CG-CB 4.22Å; K101-A105 PolarHBondContact O-N 3.23Å; L102-A105 PolarHBondContact O-N 3.25Å; A105-A107 PolarHBondContact O-N 3.32Å; A105-A108 PolarHBondContact O-N 2.83Å; A105-K109 WeakPolarHBondContact O-CB 3.34Å; A105-K109 PolarHBondContact O-N 2.94Å
106R94.1Very high94.3Very high30 Ų3042.9 Ų42.911%0.11321%0.207CC..Hα-helixtrans-62.6-43176.6-67170.977.7-121.1-20111.9E49 L102 T103 S104 R110 Y126 D235 M237E49-R106 VanDerWaalsContact CD-NE 3.26Å; E49-R106 IonicContact OE1-CZ 3.96Å; E49-R106 IonicContact OE1-NE 2.93Å; E49-R106 PolarHBondContact OE1-NE 3.37Å; E49-R106 IonicContact OE1-NH2 3.2Å; E49-R106 WeakPolarHBondContact OE2-CD 3.38Å; E49-R106 IonicContact OE2-CZ 2.58Å; E49-R106 IonicContact OE2-NE 3.56Å; E49-R106 PolarHBondContact OE2-NE 3.4Å; L102-R106 HydrophobicContact CG-CG 4.48Å; L102-R106 VanDerWaalsContact O-CG 3.31Å; L102-R106 WeakPolarHBondContact O-CG 3.38Å; L102-R106 PolarHBondContact O-N 3.48Å; T103-R106 PolarHBondContact O-N 2.94Å; S104-R106 VanDerWaalsContact C-N 3.33Å; S104-R106 PolarHBondContact O-N 2.8Å; R106-R110 WeakPolarHBondContact O-CB 3.42Å; R106-R110 PolarHBondContact O-N 3.21Å; R106-R110 VanDerWaalsContact O-N 3.11Å; R106-Y126 WeakPolarHBondContact CA-OH 3.06Å; R106-Y126 HydrophobicContact CG-CE1 4.41Å; R106-Y126 WeakPolarHBondContact CG-OH 3.25Å; R106-D235 IonicContact CZ-OD2 3.92Å; R106-D235 IonicContact NH1-OD2 2.77Å; R106-D235 PolarHBondContact NH1-OD2 2.9Å; R106-D235 IonicContact NH2-OD2 3.78Å; R106-D235 PolarHBondContact NH2-OD2 2.82Å; R106-M237 VanDerWaalsContact CZ-CB 3.49Å; R106-M237 PolarHBondContact NH1-O 2.95Å
107A94.1Very high94.2Very high17 Ų1742.6 Ų42.614%0.1421%0.205CC..Hα-helixtrans-64.4-46.2177.200000111.8T103 S104 A105 R110 H111T103-A107 WeakPolarHBondContact O-CB 3.43Å; T103-A107 PolarHBondContact O-N 2.92Å; S104-A107 PolarHBondContact O-N 3.01Å; A105-A107 PolarHBondContact O-N 3.32Å; A107-R110 PolarHBondContact O-N 3.05Å; A107-H111 PolarHBondContact O-N 2.84Å; A107-H111 PolarHBondContact O-ND1 2.82Å
108A95.9Very high94.1Very high0 Ų048 Ų480%023%0.228CC..Hα-helixtrans-58.2-58176.900000110.5L53 F71 Y74 F99 S104 A105 R110 H111 T112L53-A108 HydrophobicContact CD1-CB 3.99Å; F71-A108 HydrophobicContact CD1-CB 3.76Å; F71-A108 HydrophobicContact CE1-CB 3.98Å; Y74-A108 HydrophobicContact CD2-CB 3.89Å; Y74-A108 HydrophobicContact CG-CB 4.01Å; F99-A108 HydrophobicContact CE2-CB 3.94Å; F99-A108 HydrophobicContact CZ-CB 3.78Å; S104-A108 WeakPolarHBondContact O-CB 3.25Å; S104-A108 PolarHBondContact O-N 3.07Å; A105-A108 PolarHBondContact O-N 2.83Å; A108-R110 PolarHBondContact O-N 3.3Å; A108-H111 PolarHBondContact O-N 2.95Å; A108-T112 PolarHBondContact O-N 2.78Å; A108-T112 PolarHBondContact O-OG1 3.3Å
109K95.1Very high93.8Very high23 Ų2350.9 Ų50.910%0.126%0.263CS..Hα-helixtrans-52.5-35.8178.9-170.1-94-177.4-117.80112.7Y44 L53 A105 H111 D113 V124 Y126Y44-K109 VanDerWaalsContact OH-CE 3.26Å; Y44-K109 WeakPolarHBondContact OH-CE 3.48Å; Y44-K109 PolarHBondContact OH-NZ 3.03Å; L53-K109 HydrophobicContact CD1-CB 4.23Å; L53-K109 HydrophobicContact CD2-CB 4.13Å; L53-K109 HydrophobicContact CD2-CG 4.43Å; A105-K109 WeakPolarHBondContact O-CB 3.34Å; A105-K109 PolarHBondContact O-N 2.94Å; K109-H111 VanDerWaalsContact C-N 3.32Å; K109-H111 PolarHBondContact O-N 3.28Å; K109-D113 IonicContact NZ-OD2 2.69Å; K109-D113 PolarHBondContact NZ-OD2 3.1Å; K109-D113 WeakPolarHBondContact O-CB 3.43Å; K109-D113 PolarHBondContact O-N 2.69Å; K109-V124 HydrophobicContact CB-CG1 4.22Å; K109-V124 WeakPolarHBondContact CE-O 3.44Å; K109-V124 HydrophobicContact CG-CB 4.44Å; K109-V124 HydrophobicContact CG-CG1 3.98Å; K109-Y126 HydrophobicContact CB-CE1 4.31Å; K109-Y126 HydrophobicContact CD-CE2 3.99Å; K109-Y126 HydrophobicContact CG-CE1 4.4Å; K109-Y126 HydrophobicContact CG-CE2 4.3Å
110R92.9Very high93.6Very high152 Ų15252 Ų5257%0.57428%0.275SS*.Hα-helixtrans-69.4-27.9-179.9-156.6176.8-167.8-179.31113.7R106 A107 A108R106-R110 WeakPolarHBondContact O-CB 3.42Å; R106-R110 PolarHBondContact O-N 3.21Å; R106-R110 VanDerWaalsContact O-N 3.11Å; A107-R110 PolarHBondContact O-N 3.05Å; A108-R110 PolarHBondContact O-N 3.3Å
111H92.2Very high93.5Very high113 Ų11354.1 Ų54.152%0.52329%0.285SS..Hα-helixtrans-107.9-25.7-173.9-66.185.5000114Y74 A107 A108 K109Y74-H111 HydrophobicContact CE1-CB 3.68Å; Y74-H111 AromaticContact CE1-CG 3.81Å; Y74-H111 AromaticContact CE1-ND1 3.98Å; Y74-H111 VanDerWaalsContact OH-CB 3.26Å; Y74-H111 WeakPolarHBondContact OH-CB 3.37Å; A107-H111 PolarHBondContact O-N 2.84Å; A107-H111 PolarHBondContact O-ND1 2.82Å; A108-H111 PolarHBondContact O-N 2.95Å; K109-H111 VanDerWaalsContact C-N 3.32Å; K109-H111 PolarHBondContact O-N 3.28Å
112T94.5Very high93.7Very high0 Ų049.4 Ų49.40%026%0.264CS..Hα-helixtrans-94.5-21.7-178.657.40000113.1L70 F71 Y74 A108 E114 K115L70-T112 HydrophobicContact CD2-CG2 4.28Å; L70-T112 HydrophobicContact CG-CG2 4.25Å; F71-T112 HydrophobicContact CE1-CG2 4.12Å; F71-T112 WeakPolarHBondContact CE1-OG1 3.35Å; F71-T112 HydrophobicContact CE2-CG2 4.45Å; F71-T112 HydrophobicContact CZ-CG2 4.08Å; Y74-T112 HydrophobicContact CD2-CG2 4.31Å; Y74-T112 HydrophobicContact CE2-CG2 3.56Å; A108-T112 PolarHBondContact O-N 2.78Å; A108-T112 PolarHBondContact O-OG1 3.3Å; T112-E114 PolarHBondContact O-N 3.35Å; T112-K115 WeakPolarHBondContact O-CB 3.24Å; T112-K115 PolarHBondContact O-N 3.05Å
113D94.2Very high93.8Very high30 Ų3048.7 Ų48.716%0.1626%0.26CS..THydrogen-bonded Turntrans-64.4128.7174-167.430.1000110.9K109 K115 H123 V124K109-D113 IonicContact NZ-OD2 2.69Å; K109-D113 PolarHBondContact NZ-OD2 3.1Å; K109-D113 WeakPolarHBondContact O-CB 3.43Å; K109-D113 PolarHBondContact O-N 2.69Å; D113-K115 PolarHBondContact O-N 3.38Å; D113-H123 IonicContact OD1-ND1 3.98Å; D113-V124 HydrophobicContact CB-CB 4.21Å; D113-V124 PolarHBondContact OD1-N 3.22Å
114E92.8Very high94Very high65 Ų6547.1 Ų47.130%0.30425%0.25SS..THydrogen-bonded Turntrans61.617.5-171.5-53166.2164.500113.6T112 L122T112-E114 PolarHBondContact O-N 3.35Å; E114-L122 WeakPolarHBondContact CA-O 3.39Å; E114-L122 PolarHBondContact N-O 3.07Å
115K93.7Very high94Very high78 Ų7847 Ų4734%0.33925%0.25SC..  trans-77.9134.9177.3-173.8173.6177.8177.20110L70 T112 D113 F117 L122L70-K115 HydrophobicContact CD1-CD 4.3Å; L70-K115 HydrophobicContact CD2-CD 4.35Å; T112-K115 WeakPolarHBondContact O-CB 3.24Å; T112-K115 PolarHBondContact O-N 3.05Å; D113-K115 PolarHBondContact O-N 3.38Å; K115-F117 PolarHBondContact O-N 3.47Å; K115-L122 PolarHBondContact O-N 2.7Å
116S94.9Very high94Very high86 Ų8647.6 Ų47.660%0.60125%0.252SS*.EExtended strand (participates in β ladder)trans-68.9129.1172.8-174.30000110.9G120S116-G120 CarbonylContact C-O 3.52Å; S116-G120 VanDerWaalsContact CA-O 3.22Å; S116-G120 WeakPolarHBondContact CA-O 3.49Å; S116-G120 PolarHBondContact OG-O 3.44Å
117F94.8Very high94.1Very high15 Ų1546.1 Ų46.17%0.06625%0.246CC..EExtended strand (participates in β ladder)trans-140.6114.2-178.9-173.5-105.2000108.7V58 V63 E66 L67 L70 K115 G119 G120 L122V58-F117 HydrophobicContact CG1-CE1 3.98Å; V63-F117 HydrophobicContact CB-CE1 3.97Å; V63-F117 HydrophobicContact CB-CZ 4.17Å; V63-F117 HydrophobicContact CG1-CD1 4.48Å; V63-F117 HydrophobicContact CG1-CE1 3.39Å; V63-F117 HydrophobicContact CG1-CE2 4.28Å; V63-F117 HydrophobicContact CG1-CZ 3.28Å; E66-F117 HydrophobicContact CB-CZ 4.45Å; L67-F117 HydrophobicContact CB-CZ 3.94Å; L67-F117 HydrophobicContact CD1-CE1 4.17Å; L67-F117 HydrophobicContact CD1-CE2 4.41Å; L67-F117 HydrophobicContact CD1-CZ 4.02Å; L70-F117 HydrophobicContact CD2-CD2 4.17Å; L70-F117 HydrophobicContact CD2-CE2 4.37Å; K115-F117 PolarHBondContact O-N 3.47Å; F117-G119 PolarHBondContact O-N 3.35Å; F117-G119 VanDerWaalsContact O-N 3.13Å; F117-G120 PolarHBondContact N-O 3.03Å; F117-G120 PolarHBondContact O-N 3.49Å; F117-L122 HydrophobicContact CB-CD1 3.83Å; F117-L122 HydrophobicContact CB-CD2 3.77Å; F117-L122 HydrophobicContact CB-CG 3.58Å; F117-L122 HydrophobicContact CD1-CD2 3.88Å; F117-L122 HydrophobicContact CD2-CD1 4.4Å; F117-L122 HydrophobicContact CG-CD1 4.07Å; F117-L122 HydrophobicContact CG-CD2 4.01Å; F117-L122 HydrophobicContact CG-CG 4.17Å
118F93.3Very high94.1Very high114 Ų11446.8 Ų46.850%0.525%0.249SC..THydrogen-bonded Turntrans4842.1179.2-68.7-94.3000114.7P59 V63 E66 G120P59-F118 HydrophobicContact CG-CB 4.08Å; V63-F118 HydrophobicContact CG1-CD1 4.21Å; V63-F118 HydrophobicContact CG1-CD2 3.25Å; V63-F118 HydrophobicContact CG1-CE1 4.14Å; V63-F118 HydrophobicContact CG1-CE2 3.17Å; V63-F118 HydrophobicContact CG1-CG 3.8Å; V63-F118 HydrophobicContact CG1-CZ 3.66Å; V63-F118 HydrophobicContact CG2-CG 4.48Å; E66-F118 HydrophobicContact CB-CE2 4.27Å; E66-F118 HydrophobicContact CB-CZ 4.44Å; E66-F118 HydrophobicContact CG-CZ 4.45Å; E66-F118 WeakPolarHBondContact OE1-CZ 3.5Å; E66-F118 WeakPolarHBondContact OE2-CE2 3.45Å; E66-F118 WeakPolarHBondContact OE2-CZ 3.11Å; F118-G120 VanDerWaalsContact C-N 3.27Å; F118-G120 PolarHBondContact O-N 3.12Å
119G91.2Very high93.9Very high78 Ų7849.8 Ų49.880%0.80426%0.263SS*.THydrogen-bonded Turntrans86.6-14.7179.200000114.8F117F117-G119 PolarHBondContact O-N 3.35Å; F117-G119 VanDerWaalsContact O-N 3.13Å
120G91.1Very high93.7Very high25 Ų2552.4 Ų52.426%0.25827%0.273SS..EExtended strand (participates in β ladder)trans-93.2175.7170.600000113S116 F117 F118S116-G120 CarbonylContact C-O 3.52Å; S116-G120 VanDerWaalsContact CA-O 3.22Å; S116-G120 WeakPolarHBondContact CA-O 3.49Å; S116-G120 PolarHBondContact OG-O 3.44Å; F117-G120 PolarHBondContact N-O 3.03Å; F117-G120 PolarHBondContact O-N 3.49Å; F118-G120 VanDerWaalsContact C-N 3.27Å; F118-G120 PolarHBondContact O-N 3.12Å
121Q93.6Very high93.7Very high138 Ų13846.3 Ų46.365%0.64525%0.251SS*.EExtended strand (participates in β ladder)trans-114.3129.9168.2-66.6178.915.900108.9
122L95.4Very high93.9Very high2 Ų244.2 Ų44.21%0.0125%0.246CC..  trans-75.8134.4176.8-61.6179.6000110.3V55 V58 L67 L70 E114 K115 F117 V124V55-L122 HydrophobicContact CG1-CD2 4.05Å; V58-L122 HydrophobicContact CG2-CD2 3.83Å; L67-L122 HydrophobicContact CD1-CD1 4.22Å; L70-L122 HydrophobicContact CD2-CD1 4Å; E114-L122 WeakPolarHBondContact CA-O 3.39Å; E114-L122 PolarHBondContact N-O 3.07Å; K115-L122 PolarHBondContact O-N 2.7Å; F117-L122 HydrophobicContact CB-CD1 3.83Å; F117-L122 HydrophobicContact CB-CD2 3.77Å; F117-L122 HydrophobicContact CB-CG 3.58Å; F117-L122 HydrophobicContact CD1-CD2 3.88Å; F117-L122 HydrophobicContact CD2-CD1 4.4Å; F117-L122 HydrophobicContact CG-CD1 4.07Å; F117-L122 HydrophobicContact CG-CD2 4.01Å; F117-L122 HydrophobicContact CG-CG 4.17Å; L122-V124 HydrophobicContact CB-CG2 4.32Å
123H94.8Very high93.9Very high20 Ų2050.3 Ų50.39%0.09328%0.283CS..EExtended strand (participates in β ladder)trans-109.1118.3168.9173.455.3000109.3H20 Q56 D113 C125H20-H123 PolarHBondContact O-NE2 2.77Å; Q56-H123 HydrophobicContact CB-CB 4.28Å; Q56-H123 PolarHBondContact N-O 3.07Å; Q56-H123 PolarHBondContact O-N 3.44Å; Q56-H123 PolarHBondContact OE1-CD2 3Å; D113-H123 IonicContact OD1-ND1 3.98Å; H123-C125 PolarHBondContact CE1-SG 3.38Å; H123-C125 PolarHBondContact NE2-SG 3.14Å
124V95.6Very high93.9Very high0 Ų056.6 Ų56.60%031%0.311CS..EExtended strand (participates in β ladder)trans-119.1114.5-171-173.50000110.9L53 L54 V55 F71 K109 D113 L122L53-V124 HydrophobicContact CB-CG1 4.2Å; L53-V124 HydrophobicContact CD1-CG1 4.04Å; L53-V124 HydrophobicContact CD2-CG1 4.41Å; L53-V124 HydrophobicContact CG-CG1 4.47Å; L54-V124 WeakPolarHBondContact O-CA 3.44Å; V55-V124 HydrophobicContact CG1-CG2 4.31Å; V55-V124 HydrophobicContact CG2-CG1 4.47Å; V55-V124 HydrophobicContact CG2-CG2 4.41Å; F71-V124 HydrophobicContact CZ-CG2 4.23Å; K109-V124 HydrophobicContact CB-CG1 4.22Å; K109-V124 WeakPolarHBondContact CE-O 3.44Å; K109-V124 HydrophobicContact CG-CB 4.44Å; K109-V124 HydrophobicContact CG-CG1 3.98Å; D113-V124 HydrophobicContact CB-CB 4.21Å; D113-V124 PolarHBondContact OD1-N 3.22Å; L122-V124 HydrophobicContact CB-CG2 4.32Å
125C94.7Very high93.9Very high2 Ų254.7 Ų54.71%0.01430%0.302CS..EExtended strand (participates in β ladder)trans-114.5151.9178.4-750000111.9L53 L54 H123L53-C125 CarbonylContact C-O 3.47Å; L53-C125 WeakPolarHBondContact CA-O 3.47Å; L54-C125 PolarHBondContact N-O 3.47Å; L54-C125 PolarHBondContact O-N 2.86Å; H123-C125 PolarHBondContact CE1-SG 3.38Å; H123-C125 PolarHBondContact NE2-SG 3.14Å
126Y96Very high93.8Very high11 Ų1153 Ų534%0.04330%0.299CS..EExtended strand (participates in β ladder)trans-74.7144.9163.5-62.8-68.6000109Y44 L48 E49 S50 L53 R106 K109 P128Y44-Y126 AromaticContact CD1-CD2 3.61Å; Y44-Y126 HydrophobicContact CD1-CD2 3.61Å; Y44-Y126 AromaticContact CD1-CE2 3.82Å; Y44-Y126 HydrophobicContact CD1-CE2 3.82Å; Y44-Y126 HydrophobicContact CD2-CE2 4.3Å; Y44-Y126 AromaticContact CE1-CD2 3.44Å; Y44-Y126 HydrophobicContact CE1-CD2 3.44Å; Y44-Y126 VanDerWaalsContact CE1-CD2 3.44Å; Y44-Y126 AromaticContact CE1-CE2 3.79Å; Y44-Y126 HydrophobicContact CE1-CE2 3.79Å; Y44-Y126 HydrophobicContact CE2-CE2 4.27Å; Y44-Y126 HydrophobicContact CG-CD2 4.33Å; Y44-Y126 HydrophobicContact CG-CE2 4.08Å; L48-Y126 VanDerWaalsContact O-CB 3.24Å; L48-Y126 WeakPolarHBondContact O-CB 3.27Å; E49-Y126 HydrophobicContact CG-CE2 4.16Å; S50-Y126 WeakPolarHBondContact O-CD1 3.47Å; L53-Y126 HydrophobicContact CD2-CD1 3.38Å; L53-Y126 HydrophobicContact CD2-CE1 3.61Å; L53-Y126 HydrophobicContact CD2-CG 4.31Å; R106-Y126 WeakPolarHBondContact CA-OH 3.06Å; R106-Y126 HydrophobicContact CG-CE1 4.41Å; R106-Y126 WeakPolarHBondContact CG-OH 3.25Å; K109-Y126 HydrophobicContact CB-CE1 4.31Å; K109-Y126 HydrophobicContact CD-CE2 3.99Å; K109-Y126 HydrophobicContact CG-CE1 4.4Å; K109-Y126 HydrophobicContact CG-CE2 4.3Å; Y126-P128 VanDerWaalsContact C-CD 3.49Å; Y126-P128 WeakPolarHBondContact O-CD 3.28Å
127A94.9Very high93.8Very high0 Ų055.3 Ų55.30%030%0.298CS..  trans-125.271.9-17800000109.1S50 Y52 L54 L96 E129 Y130S50-A127 VanDerWaalsContact OG-C 3.31Å; S50-A127 PolarHBondContact OG-N 2.94Å; S50-A127 VanDerWaalsContact OG-N 3.12Å; S50-A127 PolarHBondContact OG-O 3.37Å; Y52-A127 PolarHBondContact O-N 3.32Å; Y52-A127 VanDerWaalsContact O-N 3.07Å; L54-A127 HydrophobicContact CB-CB 4.15Å; L96-A127 HydrophobicContact CD1-CB 4.1Å; A127-E129 VanDerWaalsContact C-OE2 3.26Å; A127-E129 WeakPolarHBondContact CA-OE1 3.36Å; A127-E129 WeakPolarHBondContact CA-OE2 2.92Å; A127-E129 WeakPolarHBondContact CB-OE1 3.36Å; A127-E129 PolarHBondContact O-N 3.3Å; A127-Y130 HydrophobicContact CB-CD2 3.69Å; A127-Y130 HydrophobicContact CB-CE2 4.17Å; A127-Y130 PolarHBondContact O-N 3.04Å
128P93.7Very high93.7Very high30 Ų3058.5 Ų58.520%0.19531%0.313CS..G310 helixtrans-66.1-17.6-177.228.3-36.1000113.7Y126 Y130 E131Y126-P128 VanDerWaalsContact C-CD 3.49Å; Y126-P128 WeakPolarHBondContact O-CD 3.28Å; P128-Y130 PolarHBondContact O-N 3.01Å; P128-E131 WeakPolarHBondContact O-CB 3.41Å; P128-E131 PolarHBondContact O-N 2.72Å
129E91.7Very high93.6Very high63 Ų6353.7 Ų53.729%0.29429%0.292SS..G310 helixtrans-67.7-19176.966.6-75173.500114.2Y17 H19 H20 A127Y17-E129 HydrophobicContact CE2-CG 4.08Å; H19-E129 IonicContact CE1-OE2 2.75Å; H19-E129 IonicContact NE2-OE2 3.12Å; H20-E129 IonicContact CE1-OE1 3.64Å; H20-E129 PolarHBondContact CE1-OE1 3.12Å; H20-E129 IonicContact NE2-OE1 3.92Å; H20-E129 PolarHBondContact NE2-OE1 3.02Å; H20-E129 VanDerWaalsContact NE2-OE1 3.14Å; H20-E129 IonicContact NE2-OE2 3.72Å; A127-E129 VanDerWaalsContact C-OE2 3.26Å; A127-E129 WeakPolarHBondContact CA-OE1 3.36Å; A127-E129 WeakPolarHBondContact CA-OE2 2.92Å; A127-E129 WeakPolarHBondContact CB-OE1 3.36Å; A127-E129 PolarHBondContact O-N 3.3Å
130Y92.4Very high93.7Very high79 Ų7953.6 Ų53.631%0.3127%0.273SS..G310 helixtrans-91-3.5174.3-64.6-84.5000113.2L83 L96 A127 P128L83-Y130 VanDerWaalsContact CD2-OH 3.25Å; L83-Y130 WeakPolarHBondContact CD2-OH 3.35Å; L96-Y130 HydrophobicContact CD1-CD2 3.77Å; L96-Y130 HydrophobicContact CD1-CE2 4.1Å; L96-Y130 HydrophobicContact CD1-CG 4.06Å; L96-Y130 HydrophobicContact CD2-CD1 3.63Å; L96-Y130 HydrophobicContact CD2-CD2 4.24Å; L96-Y130 HydrophobicContact CD2-CE1 4.03Å; L96-Y130 HydrophobicContact CD2-CG 3.75Å; A127-Y130 HydrophobicContact CB-CD2 3.69Å; A127-Y130 HydrophobicContact CB-CE2 4.17Å; A127-Y130 PolarHBondContact O-N 3.04Å; P128-Y130 PolarHBondContact O-N 3.01Å
131E93.3Very high93.8Very high24 Ų2456 Ų5611%0.11228%0.277CS..  trans-74.7140.8176.8-72.1-171.1159.700112S50 R51 Y52 P128 T136 K139S50-E131 WeakPolarHBondContact CA-OE1 3.5Å; S50-E131 VanDerWaalsContact CB-CD 3.44Å; S50-E131 WeakPolarHBondContact CB-OE1 3.4Å; R51-E131 PolarHBondContact N-OE1 2.93Å; Y52-E131 HydrophobicContact CD2-CB 4.47Å; Y52-E131 HydrophobicContact CD2-CG 3.59Å; Y52-E131 HydrophobicContact CE2-CB 4.42Å; Y52-E131 HydrophobicContact CE2-CG 3.9Å; P128-E131 WeakPolarHBondContact O-CB 3.41Å; P128-E131 PolarHBondContact O-N 2.72Å; E131-T136 PolarHBondContact OE2-OG1 3.08Å; E131-K139 VanDerWaalsContact CD-NZ 3.28Å; E131-K139 IonicContact OE1-NZ 3.98Å; E131-K139 PolarHBondContact OE1-NZ 3.24Å; E131-K139 WeakPolarHBondContact OE2-CE 3.45Å; E131-K139 IonicContact OE2-NZ 3.65Å; E131-K139 PolarHBondContact OE2-NZ 3.04Å
132T95.2Very high93.7Very high69 Ų6952.7 Ų52.742%0.42326%0.264SS..  trans-77.4159.5168.764.80000111.4E134 E135 T136T132-E134 PolarHBondContact O-N 3.35Å; T132-E135 PolarHBondContact N-OE2 3.42Å; T132-E135 PolarHBondContact O-N 3.3Å; T132-E135 WeakPolarHBondContact OG1-CG 3.34Å; T132-E135 PolarHBondContact OG1-N 3.05Å; T132-E135 PolarHBondContact OG1-OE2 2.9Å; T132-T136 PolarHBondContact O-N 2.91Å; T132-T136 PolarHBondContact O-OG1 2.95Å
133V94.9Very high93.5Very high128 Ų12856.5 Ų56.578%0.77628%0.278SS*.Hα-helixtrans-60.5-35.2176.7179.30000111.2K137V133-K137 WeakPolarHBondContact O-CB 3.37Å; V133-K137 PolarHBondContact O-N 3.13Å
134E94.3Very high93.4Very high161 Ų16164.2 Ų64.275%0.75231%0.307SS*.Hα-helixtrans-67.2-45.1179-62.5-174.6173.100111.8T132 T136 K137 Q138T132-E134 PolarHBondContact O-N 3.35Å; E134-T136 VanDerWaalsContact C-N 3.35Å; E134-T136 PolarHBondContact O-N 3.2Å; E134-K137 WeakPolarHBondContact O-CB 3.42Å; E134-K137 PolarHBondContact O-N 2.86Å; E134-Q138 PolarHBondContact O-N 3.47Å
135E92.5Very high93.3Very high25 Ų2571.1 Ų71.112%0.11733%0.333CS..Hα-helixtrans-64.8-40.6176.2-70174.4119.700112R51 Y52 T132 K137 Q138 K139R51-E135 IonicContact CZ-OE1 2.94Å; R51-E135 IonicContact NH1-OE1 3.52Å; R51-E135 PolarHBondContact NH1-OE1 3.49Å; Y52-E135 WeakPolarHBondContact CE2-OE2 3.42Å; Y52-E135 PolarHBondContact OH-OE2 3.46Å; T132-E135 PolarHBondContact N-OE2 3.42Å; T132-E135 PolarHBondContact O-N 3.3Å; T132-E135 WeakPolarHBondContact OG1-CG 3.34Å; T132-E135 PolarHBondContact OG1-N 3.05Å; T132-E135 PolarHBondContact OG1-OE2 2.9Å; E135-K137 VanDerWaalsContact C-N 3.3Å; E135-K137 PolarHBondContact O-N 3.41Å; E135-Q138 PolarHBondContact O-N 3.38Å; E135-K139 VanDerWaalsContact O-CB 3.27Å; E135-K139 WeakPolarHBondContact O-CB 3.39Å; E135-K139 PolarHBondContact O-N 3.31Å
136T92.3Very high93.1Very high44 Ų4474.2 Ų74.227%0.2735%0.345SS..Hα-helixtrans-60.8-43175.2-58.30000110.8E131 T132 E134 K139 L140E131-T136 PolarHBondContact OE2-OG1 3.08Å; T132-T136 PolarHBondContact O-N 2.91Å; T132-T136 PolarHBondContact O-OG1 2.95Å; E134-T136 VanDerWaalsContact C-N 3.35Å; E134-T136 PolarHBondContact O-N 3.2Å; T136-K139 PolarHBondContact O-N 2.95Å; T136-L140 WeakPolarHBondContact O-CG 3.44Å; T136-L140 PolarHBondContact O-N 2.78Å
137K93.9Very high92.9Very high133 Ų13376.2 Ų76.258%0.57836%0.358SS*.Hα-helixtrans-61.5-46.2175.1179.2-177.8176.7-176.30111.1V133 E134 E135 L140 Q141V133-K137 WeakPolarHBondContact O-CB 3.37Å; V133-K137 PolarHBondContact O-N 3.13Å; E134-K137 WeakPolarHBondContact O-CB 3.42Å; E134-K137 PolarHBondContact O-N 2.86Å; E135-K137 VanDerWaalsContact C-N 3.3Å; E135-K137 PolarHBondContact O-N 3.41Å; K137-L140 PolarHBondContact O-N 2.93Å; K137-Q141 WeakPolarHBondContact O-CG 3.37Å; K137-Q141 PolarHBondContact O-N 3.43Å
138Q92.6Very high92.8Very high82 Ų8279.8 Ų79.838%0.38338%0.377SS..Hα-helixtrans-61.7-46.4178.5-176.356.235.500111.4E134 E135 L140 Q141 D142E134-Q138 PolarHBondContact O-N 3.47Å; E135-Q138 PolarHBondContact O-N 3.38Å; Q138-L140 VanDerWaalsContact C-N 3.34Å; Q138-L140 PolarHBondContact O-N 2.87Å; Q138-Q141 PolarHBondContact O-N 3.25Å; Q138-Q141 VanDerWaalsContact O-N 3.14Å; Q138-D142 VanDerWaalsContact NE2-CG 3.26Å; Q138-D142 PolarHBondContact NE2-OD1 3.08Å; Q138-D142 PolarHBondContact NE2-OD2 2.9Å; Q138-D142 PolarHBondContact O-N 3.17Å
139K92.1Very high92.7Very high14 Ų1485.6 Ų85.66%0.06140%0.395CS..Hα-helixtrans-53.8-46.4174.8174.817273.3-177.70112.5I46 E49 L102 E131 E135 T136 R143I46-K139 HydrophobicContact CD1-CD 4.27Å; I46-K139 HydrophobicContact CD1-CG 3.84Å; I46-K139 HydrophobicContact CG1-CD 4.44Å; I46-K139 HydrophobicContact CG1-CG 4.02Å; I46-K139 WeakPolarHBondContact O-CD 3.39Å; I46-K139 WeakPolarHBondContact O-CE 3.43Å; I46-K139 PolarHBondContact O-NZ 3.27Å; E49-K139 PolarHBondContact O-NZ 2.84Å; L102-K139 HydrophobicContact CD1-CD 4.39Å; L102-K139 HydrophobicContact CD2-CD 3.99Å; L102-K139 HydrophobicContact CD2-CG 3.98Å; E131-K139 VanDerWaalsContact CD-NZ 3.28Å; E131-K139 IonicContact OE1-NZ 3.98Å; E131-K139 PolarHBondContact OE1-NZ 3.24Å; E131-K139 WeakPolarHBondContact OE2-CE 3.45Å; E131-K139 IonicContact OE2-NZ 3.65Å; E131-K139 PolarHBondContact OE2-NZ 3.04Å; E135-K139 VanDerWaalsContact O-CB 3.27Å; E135-K139 WeakPolarHBondContact O-CB 3.39Å; E135-K139 PolarHBondContact O-N 3.31Å; T136-K139 PolarHBondContact O-N 2.95Å; K139-R143 WeakPolarHBondContact O-CB 3.33Å; K139-R143 PolarHBondContact O-N 3.05Å
140L92.9Very high92.6Very high76 Ų7684.1 Ų84.140%0.39839%0.394SS..Hα-helixtrans-68.3-38.6177.8-71177.2000112.7I46 T136 K137 Q138 R143 R144I46-L140 HydrophobicContact CG1-CD2 4.27Å; I46-L140 HydrophobicContact CG2-CD2 3.83Å; T136-L140 WeakPolarHBondContact O-CG 3.44Å; T136-L140 PolarHBondContact O-N 2.78Å; K137-L140 PolarHBondContact O-N 2.93Å; Q138-L140 VanDerWaalsContact C-N 3.34Å; Q138-L140 PolarHBondContact O-N 2.87Å; L140-R143 PolarHBondContact O-N 3.39Å; L140-R144 WeakPolarHBondContact O-CB 3.34Å; L140-R144 PolarHBondContact O-N 3.12Å
141Q93.4Very high92.5Very high74 Ų7483.8 Ų83.835%0.34640%0.403SS..Hα-helixtrans-63.7-44.9175.3-73-177.611.400111.7K137 Q138 R143 R144 R145K137-Q141 WeakPolarHBondContact O-CG 3.37Å; K137-Q141 PolarHBondContact O-N 3.43Å; Q138-Q141 PolarHBondContact O-N 3.25Å; Q138-Q141 VanDerWaalsContact O-N 3.14Å; Q141-R143 VanDerWaalsContact C-N 3.33Å; Q141-R143 PolarHBondContact O-N 2.81Å; Q141-R144 WeakPolarHBondContact O-CB 3.48Å; Q141-R144 PolarHBondContact O-N 3.32Å; Q141-R144 VanDerWaalsContact O-N 3.15Å; Q141-R145 WeakPolarHBondContact O-CG 3.35Å; Q141-R145 PolarHBondContact O-N 3.4Å
142D91.6Very high92.3Very high69 Ų6991 Ų9137%0.36943%0.429SS..Hα-helixtrans-64.6-39.4178-71.3-25.6000111.5Q138 R144 R145 Y146Q138-D142 VanDerWaalsContact NE2-CG 3.26Å; Q138-D142 PolarHBondContact NE2-OD1 3.08Å; Q138-D142 PolarHBondContact NE2-OD2 2.9Å; Q138-D142 PolarHBondContact O-N 3.17Å; D142-R144 PolarHBondContact O-N 2.9Å; D142-R145 PolarHBondContact O-N 3.33Å; D142-R145 IonicContact OD1-CZ 3.78Å; D142-R145 IonicContact OD1-NH1 2.88Å; D142-R145 PolarHBondContact OD1-NH1 2.91Å; D142-Y146 PolarHBondContact O-N 3.48Å
143R91.3Very high92Very high83 Ų8390 Ų9031%0.31342%0.421SS..Hα-helixtrans-59.9-45.7171.1-179.362.2178.2116.63.5111.7I46 K139 L140 Q141 Y146 V147I46-R143 HydrophobicContact CD1-CB 4.1Å; I46-R143 HydrophobicContact CD1-CG 4.28Å; I46-R143 HydrophobicContact CG1-CB 4.01Å; I46-R143 HydrophobicContact CG1-CG 4.06Å; K139-R143 WeakPolarHBondContact O-CB 3.33Å; K139-R143 PolarHBondContact O-N 3.05Å; L140-R143 PolarHBondContact O-N 3.39Å; Q141-R143 VanDerWaalsContact C-N 3.33Å; Q141-R143 PolarHBondContact O-N 2.81Å; R143-Y146 VanDerWaalsContact NH1-CD1 3.33Å; R143-Y146 PolarHBondContact O-N 2.82Å; R143-V147 VanDerWaalsContact CZ-CG2 3.47Å; R143-V147 WeakPolarHBondContact O-CG2 2.97Å; R143-V147 PolarHBondContact O-N 2.75Å
144R93.4Very high91.6Very high181 Ų18186.3 Ų86.368%0.68340%0.404SS*.Hα-helixtrans-61.9-42.9177.9-174.2177.3-177.2-175.9-0.2111.6L140 Q141 D142 V147 N148L140-R144 WeakPolarHBondContact O-CB 3.34Å; L140-R144 PolarHBondContact O-N 3.12Å; Q141-R144 WeakPolarHBondContact O-CB 3.48Å; Q141-R144 PolarHBondContact O-N 3.32Å; Q141-R144 VanDerWaalsContact O-N 3.15Å; D142-R144 PolarHBondContact O-N 2.9Å; R144-V147 PolarHBondContact O-N 2.81Å; R144-N148 WeakPolarHBondContact O-CB 3.49Å; R144-N148 PolarHBondContact O-N 3.45Å; R144-N148 PolarHBondContact O-ND2 3.17Å
145R92.9Very high91.1Very high146 Ų14681.2 Ų81.255%0.55139%0.389SS*.Hα-helixtrans-58.5-47.9174.6-71.7171.2-175.1167.9-5.2110.9Q141 D142 N148 W149Q141-R145 WeakPolarHBondContact O-CG 3.35Å; Q141-R145 PolarHBondContact O-N 3.4Å; D142-R145 PolarHBondContact O-N 3.33Å; D142-R145 IonicContact OD1-CZ 3.78Å; D142-R145 IonicContact OD1-NH1 2.88Å; D142-R145 PolarHBondContact OD1-NH1 2.91Å; R145-N148 PolarHBondContact O-N 3.04Å; R145-W149 WeakPolarHBondContact O-CB 3.49Å; R145-W149 PolarHBondContact O-N 2.81Å
146Y90.3Very high90.7Very high67 Ų6785.4 Ų85.426%0.26341%0.409SS..Hα-helixtrans-63.6-44177.8175.7-90.1000112.5D142 R143 N148 W149 A150 K236 G238D142-Y146 PolarHBondContact O-N 3.48Å; R143-Y146 VanDerWaalsContact NH1-CD1 3.33Å; R143-Y146 PolarHBondContact O-N 2.82Å; Y146-N148 VanDerWaalsContact C-N 3.35Å; Y146-N148 PolarHBondContact O-N 3.35Å; Y146-W149 HydrophobicContact CD2-CE3 4.37Å; Y146-W149 HydrophobicContact CE2-CE3 4.32Å; Y146-W149 HydrophobicContact CE2-CZ3 4.25Å; Y146-W149 PolarHBondContact O-N 3.02Å; Y146-A150 HydrophobicContact CE1-CB 4.34Å; Y146-A150 VanDerWaalsContact O-CB 3.3Å; Y146-A150 WeakPolarHBondContact O-CB 2.95Å; Y146-A150 PolarHBondContact O-N 2.89Å; Y146-K236 PolarHBondContact OH-O 3.11Å; Y146-K236 VanDerWaalsContact OH-O 3.1Å; Y146-G238 PolarHBondContact OH-N 3.15Å
147V90.8Very high90.2Very high52 Ų5288.1 Ų88.132%0.31542%0.421SS..Hα-helixtrans-56.9-51175.1174.40000110.1R143 R144 W149 A150 S151R143-V147 VanDerWaalsContact CZ-CG2 3.47Å; R143-V147 WeakPolarHBondContact O-CG2 2.97Å; R143-V147 PolarHBondContact O-N 2.75Å; R144-V147 PolarHBondContact O-N 2.81Å; V147-W149 VanDerWaalsContact C-N 3.29Å; V147-W149 PolarHBondContact O-N 3.16Å; V147-A150 PolarHBondContact O-N 3.28Å; V147-S151 WeakPolarHBondContact O-CB 3.21Å; V147-S151 PolarHBondContact O-N 3.15Å; V147-S151 PolarHBondContact O-OG 3.45Å; V147-S151 VanDerWaalsContact O-OG 3.09Å
148N92.6Very high89.4Confident76 Ų7688.2 Ų88.241%0.40642%0.423SS..Hα-helixtrans-59.2-42.6-178.6-70.5-16.3000111.7R144 R145 Y146 R152R144-N148 WeakPolarHBondContact O-CB 3.49Å; R144-N148 PolarHBondContact O-N 3.45Å; R144-N148 PolarHBondContact O-ND2 3.17Å; R145-N148 PolarHBondContact O-N 3.04Å; Y146-N148 VanDerWaalsContact C-N 3.35Å; Y146-N148 PolarHBondContact O-N 3.35Å; N148-R152 VanDerWaalsContact O-CG 3.23Å; N148-R152 WeakPolarHBondContact O-CG 3.46Å; N148-R152 PolarHBondContact O-N 3.4Å; N148-R152 VanDerWaalsContact O-N 3.15Å
149W91.9Very high88.7Confident152 Ų15287.6 Ų87.658%0.57643%0.428SS*.Hα-helixtrans-64.2-49.8176.1176.585.5000111.8R145 Y146 V147 S151 R152 N153R145-W149 WeakPolarHBondContact O-CB 3.49Å; R145-W149 PolarHBondContact O-N 2.81Å; Y146-W149 HydrophobicContact CD2-CE3 4.37Å; Y146-W149 HydrophobicContact CE2-CE3 4.32Å; Y146-W149 HydrophobicContact CE2-CZ3 4.25Å; Y146-W149 PolarHBondContact O-N 3.02Å; V147-W149 VanDerWaalsContact C-N 3.29Å; V147-W149 PolarHBondContact O-N 3.16Å; W149-S151 PolarHBondContact O-N 2.76Å; W149-R152 PolarHBondContact O-N 3.25Å; W149-N153 WeakPolarHBondContact CH2-ND2 3.36Å; W149-N153 WeakPolarHBondContact CZ2-ND2 3.26Å; W149-N153 PolarHBondContact NE1-ND2 3.1Å; W149-N153 PolarHBondContact O-N 2.98Å; W149-N153 PolarHBondContact O-OD1 3.07Å
150A89.3Confident87.8Confident32 Ų3292 Ų9226%0.26445%0.449SS..Hα-helixtrans-62.6-40.9-179.300000112.2Y146 V147 N153 A154Y146-A150 HydrophobicContact CE1-CB 4.34Å; Y146-A150 VanDerWaalsContact O-CB 3.3Å; Y146-A150 WeakPolarHBondContact O-CB 2.95Å; Y146-A150 PolarHBondContact O-N 2.89Å; V147-A150 PolarHBondContact O-N 3.28Å; A150-N153 PolarHBondContact O-N 3.43Å; A150-A154 VanDerWaalsContact O-CB 3.31Å; A150-A154 WeakPolarHBondContact O-CB 3.46Å; A150-A154 PolarHBondContact O-N 2.92Å
151S90.3Very high86.8Confident71 Ų7194.1 Ų94.150%0.49746%0.456SS..Hα-helixtrans-64.7-40.2176.6-66.20000112.4V147 W149 A155V147-S151 WeakPolarHBondContact O-CB 3.21Å; V147-S151 PolarHBondContact O-N 3.15Å; V147-S151 PolarHBondContact O-OG 3.45Å; V147-S151 VanDerWaalsContact O-OG 3.09Å; W149-S151 PolarHBondContact O-N 2.76Å; S151-A155 WeakPolarHBondContact O-CB 3.34Å; S151-A155 PolarHBondContact O-N 3.03Å
152R90.9Very high85.6Confident176 Ų17693.2 Ų93.266%0.66446%0.462SS*.Hα-helixtrans-64.7-45.2175.8-73.9171.4-176.9-175.2-0.2111.6N148 W149 A155 Q156N148-R152 VanDerWaalsContact O-CG 3.23Å; N148-R152 WeakPolarHBondContact O-CG 3.46Å; N148-R152 PolarHBondContact O-N 3.4Å; N148-R152 VanDerWaalsContact O-N 3.15Å; W149-R152 PolarHBondContact O-N 3.25Å; R152-A155 PolarHBondContact O-N 2.77Å; R152-Q156 WeakPolarHBondContact O-CG 3.26Å; R152-Q156 PolarHBondContact O-N 3.28Å
153N87.1Confident84.2Confident49 Ų4995.6 Ų95.626%0.26247%0.471SS..Hα-helixtrans-66.7-38.8179.1-67.5-0.9000111.9W149 A150 A155 Q156 L157W149-N153 WeakPolarHBondContact CH2-ND2 3.36Å; W149-N153 WeakPolarHBondContact CZ2-ND2 3.26Å; W149-N153 PolarHBondContact NE1-ND2 3.1Å; W149-N153 PolarHBondContact O-N 2.98Å; W149-N153 PolarHBondContact O-OD1 3.07Å; A150-N153 PolarHBondContact O-N 3.43Å; N153-A155 VanDerWaalsContact C-N 3.34Å; N153-A155 PolarHBondContact O-N 3.05Å; N153-Q156 PolarHBondContact O-N 2.82Å; N153-L157 WeakPolarHBondContact O-CG 3.46Å; N153-L157 PolarHBondContact O-N 2.74Å
154A87Confident82.7Confident50 Ų5095.7 Ų95.741%0.41348%0.48SS..Hα-helixtrans-61.7-42.2174.300000111.8A150 L157 H158A150-A154 VanDerWaalsContact O-CB 3.31Å; A150-A154 WeakPolarHBondContact O-CB 3.46Å; A150-A154 PolarHBondContact O-N 2.92Å; A154-L157 PolarHBondContact O-N 2.92Å; A154-H158 PolarHBondContact O-N 3.05Å
155A84.4Confident81.1Confident54 Ų5492.2 Ų92.245%0.44648%0.475SS..Hα-helixtrans-62.8-43.7175.100000111.9S151 R152 N153 L157 H158 S159S151-A155 WeakPolarHBondContact O-CB 3.34Å; S151-A155 PolarHBondContact O-N 3.03Å; R152-A155 PolarHBondContact O-N 2.77Å; N153-A155 VanDerWaalsContact C-N 3.34Å; N153-A155 PolarHBondContact O-N 3.05Å; A155-L157 VanDerWaalsContact C-N 3.35Å; A155-L157 PolarHBondContact O-N 3.43Å; A155-H158 PolarHBondContact O-N 3.48Å; A155-S159 PolarHBondContact O-N 3.37Å; A155-S159 PolarHBondContact O-OG 3.4Å
156Q83.9Confident79.4Confident113 Ų11390.1 Ų90.153%0.52848%0.479SS..Hα-helixtrans-61.6-40.1176.7-73.2176.11.700112.8R152 N153 S159 Q160R152-Q156 WeakPolarHBondContact O-CG 3.26Å; R152-Q156 PolarHBondContact O-N 3.28Å; N153-Q156 PolarHBondContact O-N 2.82Å; Q156-S159 PolarHBondContact O-N 2.84Å; Q156-Q160 WeakPolarHBondContact O-CG 3.03Å; Q156-Q160 PolarHBondContact O-N 2.86Å; Q156-Q160 PolarHBondContact O-NE2 3.4Å
157L81.1Confident77.6Confident100 Ų10093.6 Ų93.652%0.52450%0.498SS..Hα-helixtrans-66.7-39.6175.7-70.9174.2000111.9N153 A154 A155 Q161N153-L157 WeakPolarHBondContact O-CG 3.46Å; N153-L157 PolarHBondContact O-N 2.74Å; A154-L157 PolarHBondContact O-N 2.92Å; A155-L157 VanDerWaalsContact C-N 3.35Å; A155-L157 PolarHBondContact O-N 3.43Å; L157-Q161 WeakPolarHBondContact O-CG 3.2Å; L157-Q161 PolarHBondContact O-N 3.06Å
158H78.3Confident75.9Confident136 Ų13695.3 Ų95.363%0.6351%0.512SS*.Hα-helixtrans-65.3-42.1175-83.1-161.9000112.3A154 A155 Q161 A162A154-H158 PolarHBondContact O-N 3.05Å; A155-H158 PolarHBondContact O-N 3.48Å; H158-Q161 PolarHBondContact O-N 2.72Å; H158-A162 PolarHBondContact O-N 3.48Å
159S76.8Confident74Confident68 Ų6896.6 Ų96.648%0.47653%0.527SS..Hα-helixtrans-61.6-45175.5-65.50000111.9A155 Q156 Q161 A162 E163A155-S159 PolarHBondContact O-N 3.37Å; A155-S159 PolarHBondContact O-OG 3.4Å; Q156-S159 PolarHBondContact O-N 2.84Å; S159-Q161 PolarHBondContact O-N 3.21Å; S159-A162 PolarHBondContact O-N 2.87Å; S159-E163 WeakPolarHBondContact O-CG 3.4Å; S159-E163 PolarHBondContact O-N 3.01Å
160Q73.9Confident72Confident107 Ų10794.2 Ų94.250%0.553%0.533SS..Hα-helixtrans-64-37.9177.3-74.7168.974.700112.8Q156 A162 E163 V164Q156-Q160 WeakPolarHBondContact O-CG 3.03Å; Q156-Q160 PolarHBondContact O-N 2.86Å; Q156-Q160 PolarHBondContact O-NE2 3.4Å; Q160-A162 VanDerWaalsContact C-N 3.34Å; Q160-E163 PolarHBondContact O-N 3.25Å; Q160-V164 VanDerWaalsContact O-CG2 3.25Å; Q160-V164 WeakPolarHBondContact O-CG2 3.15Å; Q160-V164 PolarHBondContact O-N 2.69Å
161Q71.1Confident70.1Confident120 Ų12096.8 Ų96.856%0.56155%0.549SS*.Hα-helixtrans-68.7-32.4174.7-73.5177.72200112.6L157 H158 S159 N165L157-Q161 WeakPolarHBondContact O-CG 3.2Å; L157-Q161 PolarHBondContact O-N 3.06Å; H158-Q161 PolarHBondContact O-N 2.72Å; S159-Q161 PolarHBondContact O-N 3.21Å; Q161-N165 WeakPolarHBondContact O-CB 3.36Å; Q161-N165 PolarHBondContact O-N 3.26Å; Q161-N165 VanDerWaalsContact O-N 3.12Å; Q161-N165 PolarHBondContact O-ND2 3.3Å
162A68.8Low67.8Low55 Ų5599.4 Ų99.446%0.45556%0.562SS.*Hα-helixtrans-70.3-39.517500000112H158 S159 Q160 N165 T166H158-A162 PolarHBondContact O-N 3.48Å; S159-A162 PolarHBondContact O-N 2.87Å; Q160-A162 VanDerWaalsContact C-N 3.34Å; A162-N165 PolarHBondContact O-N 3.09Å; A162-T166 WeakPolarHBondContact O-CB 3.08Å; A162-T166 PolarHBondContact O-N 2.82Å; A162-T166 VanDerWaalsContact O-N 3.08Å; A162-T166 PolarHBondContact O-OG1 2.9Å
163E62Low65.3Low120 Ų12097.8 Ų97.856%0.56157%0.567SS**Hα-helixtrans-65.9-45.6175.4-72.4173.6-176.700111.5S159 Q160 N165 T166 E167S159-E163 WeakPolarHBondContact O-CG 3.4Å; S159-E163 PolarHBondContact O-N 3.01Å; Q160-E163 PolarHBondContact O-N 3.25Å; E163-N165 VanDerWaalsContact C-N 3.33Å; E163-N165 PolarHBondContact O-N 3.25Å; E163-T166 PolarHBondContact O-N 2.71Å; E163-E167 PolarHBondContact O-N 3.36Å
164V59.8Low63.4Low85 Ų85102.1 Ų102.152%0.51560%0.595SS.*Hα-helixtrans-62.2-37.3176.4172.40000112.5Q160 T166 S168Q160-V164 VanDerWaalsContact O-CG2 3.25Å; Q160-V164 WeakPolarHBondContact O-CG2 3.15Å; Q160-V164 PolarHBondContact O-N 2.69Å; V164-T166 VanDerWaalsContact C-N 3.33Å; V164-S168 WeakPolarHBondContact O-CB 3.44Å; V164-S168 PolarHBondContact O-N 3.24Å; V164-S168 VanDerWaalsContact O-N 3.07Å; V164-S168 PolarHBondContact O-OG 3.37Å
165N59.7Low61.1Low108 Ų108111 Ų11158%0.57862%0.618SS**Hα-helixtrans-71.7-27.3175.6-73.8-16000112.9Q161 A162 E163 S169Q161-N165 WeakPolarHBondContact O-CB 3.36Å; Q161-N165 PolarHBondContact O-N 3.26Å; Q161-N165 VanDerWaalsContact O-N 3.12Å; Q161-N165 PolarHBondContact O-ND2 3.3Å; A162-N165 PolarHBondContact O-N 3.09Å; E163-N165 VanDerWaalsContact C-N 3.33Å; E163-N165 PolarHBondContact O-N 3.25Å; N165-S169 PolarHBondContact O-OG 3.13Å
166T56.9Low59.2Low102 Ų102115.1 Ų115.163%0.62664%0.638SS**Hα-helixtrans-76.2-38.9177.4-540000111A162 E163 V164 S169A162-T166 WeakPolarHBondContact O-CB 3.08Å; A162-T166 PolarHBondContact O-N 2.82Å; A162-T166 VanDerWaalsContact O-N 3.08Å; A162-T166 PolarHBondContact O-OG1 2.9Å; E163-T166 PolarHBondContact O-N 2.71Å; V164-T166 VanDerWaalsContact C-N 3.33Å; T166-S169 PolarHBondContact O-N 3.43Å
167E53.9Low56.9Low140 Ų140114.5 Ų114.565%0.65465%0.652SS**Hα-helixtrans-75.1-30.8177.3-67.2179.717700113.3E163 S169 S170E163-E167 PolarHBondContact O-N 3.36Å; E167-S169 PolarHBondContact O-N 2.92Å; E167-S170 PolarHBondContact O-N 2.85Å
168S53.5Low54.6Low87 Ų87118.6 Ų118.661%0.60867%0.669SS**THydrogen-bonded Turntrans-70.6-10.1175.5-55.60000113.7V164V164-S168 WeakPolarHBondContact O-CB 3.44Å; V164-S168 PolarHBondContact O-N 3.24Å; V164-S168 VanDerWaalsContact O-N 3.07Å; V164-S168 PolarHBondContact O-OG 3.37Å
169S52.5Low52.5Low103 Ų103116.6 Ų116.672%0.7268%0.676SS**THydrogen-bonded Turntrans-99.8-4-179.5-550000113.2N165 T166 E167N165-S169 PolarHBondContact O-OG 3.13Å; T166-S169 PolarHBondContact O-N 3.43Å; E167-S169 PolarHBondContact O-N 2.92Å
170S50Low50.8Low102 Ų102119.6 Ų119.671%0.71369%0.694SS**SBendtrans-109.116.8-171.984.60000115.4E167E167-S170 PolarHBondContact O-N 2.85Å
171S50.7Low48.8Very low86 Ų86123.5 Ų123.560%0.60171%0.709SS**  trans-135.6130.1174.263.50000112.9
172T40.7Very low46.9Very low126 Ų126126.5 Ų126.577%0.77373%0.725SS**SBendtrans84.4123.1-176.759.20000115.5
173D39.1Very low45.2Very low142 Ų142132 Ų13276%0.75974%0.741SS**  cis-160140.60.4-93.7-36.3000108.8R175D173-R175 PolarHBondContact O-N 2.95Å
174T47.7Very low43.8Very low140 Ų140136 Ų13686%0.85976%0.757SS**  trans-64.4106.2158.741.30000109.3
175R39.3Very low42.3Very low236 Ų236139.4 Ų139.489%0.89177%0.772SS**  trans-146.6114.8156.4-104.4-178.6162.6175.6-6.8111.7D173D173-R175 PolarHBondContact O-N 2.95Å
176T42.7Very low42Very low142 Ų142139 Ų13987%0.87178%0.775SS**  trans-35.5129.2165.8-26.60000113.4
177A36.8Very low40.8Very low99 Ų99141.9 Ų141.982%0.81878%0.782SS**  trans-148.5111.3154.100000108.9
178E33.1Very low39.6Very low187 Ų187143 Ų14387%0.87479%0.787SS**  trans-59146175.1-61.1180143.900112.1
179A33.1Very low38.5Very low94 Ų94142.7 Ų142.778%0.77779%0.79SS**  trans-123.6145.9154.900000108.6
180P41.8Very low37.5Very low131 Ų131148.3 Ų148.385%0.85180%0.795SS**  trans-89.2155.8-146.133.5-35000116
181K32.8Very low36.7Very low188 Ų188152.8 Ų152.882%0.81780%0.796SS**  trans-23.8137.7169.9-63.7171.1177.9175.10118
182M29.3Very low35.8Very low183 Ų183155.8 Ų155.890%0.90180%0.801SS**  -140.7122.6125.7-102.8-159.272.900110.9
183Q34.8Very low35.5Very low171 Ų171157 Ų15780%0.79980%0.803SS**  trans-78.1141.1172.7-71.6167.9-6800110.6
184K31.2Very low35.3Very low205 Ų205155.3 Ų155.389%0.89180%0.798SS**  trans-168.3118.1130.2-103.8172.5-175.4-175.90109.7
185N28.4Very low34.7Very low155 Ų155155.9 Ų155.983%0.82980%0.795SS**  trans-96.2-178161.5-112.88000107.5
186P53.7Low34.4Very low100 Ų100149.2 Ų149.265%0.64979%0.785SS**  cis-133.6174.5-37.632.4-13.6000111.3
187E30.8Very low34.3Very low163 Ų163149.4 Ų149.476%0.76278%0.781SS**  159139.4125.6-93.6-161.7151.900115.5
188E30.5Very low34.4Very low163 Ų163154.1 Ų154.176%0.76278%0.778SS**  trans70117141.2-73.4-168.4144.500124.4
189A30.2Very low34.9Very low81 Ų81152.6 Ų152.667%0.66977%0.773SS**  83.5113.8120.600000121.4
190R31.3Very low35.1Very low220 Ų220150.8 Ų150.883%0.8376%0.764SS**  82.4134.2125-83-177.2162.6162-2.3121.1
191R33.1Very low35.3Very low196 Ų196154.1 Ų154.174%0.7477%0.765SS**  trans81.7150.6152.2-48.5-136.3-169.9-153.23.8116.7
192E31.9Very low36.3Very low150 Ų150151 Ų15170%0.70176%0.764SS**  cis-176.8162.2-24.5-111169.3-170.200104
193N33.5Very low37.5Very low150 Ų150150.6 Ų150.680%0.80277%0.765SS**  trans76148.6158.5-106.67.7000119.6
194V34.7Very low38.5Very low108 Ų108150.2 Ų150.266%0.65577%0.767SS**  cis176.8136.9-32.1139.30000105.8
195N34.8Very low39.9Very low152 Ų152146.2 Ų146.281%0.81376%0.762SS**  trans52.5135.1156.1-67.6-12.5000124.1
196S34.2Very low40.8Very low96 Ų96146.5 Ų146.567%0.67176%0.763SS**  169.5106.4116.5172.10000110.6
197D39.7Very low40.6Very low146 Ų146147 Ų14778%0.78177%0.767SS**  82103.9116.8-57.8-36.2000115.3
198Y39.8Very low41.4Very low197 Ų197145.4 Ų145.477%0.77377%0.77SS**  86.7142.469.5-167.9-120.8000115.3
199M43.3Very low42.2Very low155 Ų155144.2 Ų144.276%0.76477%0.774SS**  trans93.8117.1-178.8-53.6-63.5-17600115.9
200G37.6Very low42.6Very low56 Ų56144.8 Ų144.858%0.57778%0.779SS**  cis139.696.55.900000111.6
201F44.8Very low42.7Very low202 Ų202142.2 Ų142.289%0.88678%0.781SS**  trans-148.1134.4156.7-78.4-75.6000109
202P55.5Low42.9Very low122 Ų122140.4 Ų140.479%0.79279%0.785SS**PPolyproline II helixtrans-76.7135.4179.130.3-31.9000111.3
203L54.6Low42.9Very low174 Ų174138.2 Ų138.291%0.91179%0.786SS**PPolyproline II helixtrans-72.9126.3170.3-66.8171.4000109.4
204L54.8Low43.2Very low163 Ų163141.7 Ų141.785%0.85379%0.79SS**PPolyproline II helixtrans-64.5145.1172.4-69.7168.2000110.4
205P59.8Low43.2Very low121 Ų121147.2 Ų147.279%0.78680%0.799SS**PPolyproline II helixtrans-71143.7179.328.1-31.4000111.7
206L48.6Very low42.9Very low161 Ų161146.1 Ų146.184%0.84379%0.792SS**PPolyproline II helixtrans-65.1146.5175.3-74.6116000111.5
207P49Very low42.8Very low112 Ų112149.2 Ų149.273%0.72780%0.796SS**PPolyproline II helixtrans-67.5143.6177.428.4-33.4000111.1T209P207-T209 PolarHBondContact O-N 2.9Å
208P47Very low42.6Very low129 Ų129148.7 Ų148.784%0.83879%0.793SS**PPolyproline II helixtrans-69.3127.3-178.326-31.9000111.8
209T47.4Very low42.1Very low137 Ų137147.9 Ų147.984%0.8480%0.796SS**PPolyproline II helixtrans-65.5123.6167.1-2.90000109.6P207P207-T209 PolarHBondContact O-N 2.9Å
210A38.7Very low41.5Very low94 Ų94149.3 Ų149.378%0.77780%0.798SS**  trans-110.2116.3164.100000108.3
211D35Very low41.2Very low165 Ų165152.5 Ų152.588%0.88281%0.807SS**  trans-65.7144.1179-83.9-37.2000112.6
212I35.6Very low40.9Very low159 Ų159150.3 Ų150.382%0.81580%0.799SS**  trans-88.3135.1179-60.2160.9000108.7
213S33.3Very low39.8Very low103 Ų103150.5 Ų150.572%0.7280%0.801SS**  148.8121.2123.460.30000116.5
214Y39.1Very low38.7Very low224 Ų224146.5 Ų146.588%0.87879%0.787SS**  -146.5108.1123.655-90.6000105.8
215R34.2Very low37.7Very low223 Ų223146.9 Ų146.984%0.84278%0.784SS**  35.3131.194-77.8-164.6175.7172.20.9112.7
216L29.8Very low36.4Very low129 Ų129147.3 Ų147.368%0.67578%0.779SS**  cis-174.81447.2-149.190.3000105.2
217Q30.8Very low35.4Very low162 Ų162148.7 Ų148.776%0.75778%0.782SS**  -178.2110.9128.8-157.380.8-7.300110.2
218N35.2Very low34.3Very low134 Ų134154.1 Ų154.172%0.71779%0.788SS**  trans-70.7153.2171.8-72.6-28000112.7
219H30.8Very low33.5Very low180 Ų180153.2 Ų153.283%0.83378%0.78SS**  trans-160.591131.4-73.2-60.4000107.9
220F29.9Very low32.8Very low185 Ų185154 Ų15481%0.81178%0.779SS**  49.4106.495.6-150-96.5000115.9
221T32.4Very low32.5Very low124 Ų124157.3 Ų157.376%0.76178%0.779SS**  -175.4116.5116.525.90000110.9
222Q37.7Very low32.8Very low155 Ų155154.6 Ų154.672%0.72477%0.768SS**  trans-66.8160.7155.4-93.5-170.43400109.8S224Q222-S224 PolarHBondContact OE1-OG 3.04Å
223P32.4Very low33Very low127 Ų127152.2 Ų152.283%0.82576%0.761SS**  trans-121.1115.1130.432.1-22.8000110.5
224S32.1Very low33.7Very low89 Ų89153.9 Ų153.962%0.62276%0.758SS**  trans-83.5123.715032.20000107.5Q222Q222-S224 PolarHBondContact OE1-OG 3.04Å
225Q32.5Very low34.4Very low171 Ų171144.5 Ų144.580%0.79972%0.723SS**  -179.9126.7126.9-98.7-166.6-14.200113.4
226L33.6Very low35.5Very low130 Ų130143 Ų14368%0.68172%0.722SS**  trans66.281.3135.8-62.3162.8000117.3
227Q28Very low36.6Very low191 Ų191140.1 Ų140.189%0.89371%0.706SS**  trans-100.2112.7151.7-141.7171.223.100108.5T229Q227-T229 PolarHBondContact O-N 3.29Å
228W24.6Very low37.7Very low225 Ų225133.4 Ų133.485%0.85268%0.68SS**  trans-58.9122.2172.3-73.681000109.2N230W228-N230 PolarHBondContact O-N 3.13Å; W228-N230 VanDerWaalsContact O-N 3.15Å
229T29.9Very low38.5Very low111 Ų111128.9 Ų128.968%0.68166%0.659SS**  trans-68.6104.5170.850.60000108.8Q227 E231Q227-T229 PolarHBondContact O-N 3.29Å; T229-E231 VanDerWaalsContact C-N 3.26Å; T229-E231 PolarHBondContact O-N 3.44Å
230N34Very low39.2Very low153 Ų153125 Ų12582%0.81864%0.644SS**  trans-74.596.3142.9-69.2-21.1000104.5W228 T232W228-N230 PolarHBondContact O-N 3.13Å; W228-N230 VanDerWaalsContact O-N 3.15Å; N230-T232 PolarHBondContact O-N 3.37Å
231E31.2Very low39.8Very low164 Ų164123.1 Ų123.177%0.76664%0.638SS**  trans-59.487.3176.1-74.1179156.200109.5T229 T233T229-E231 VanDerWaalsContact C-N 3.26Å; T229-E231 PolarHBondContact O-N 3.44Å; E231-T233 PolarHBondContact O-N 2.98Å
232T41.2Very low40.3Very low108 Ų108122 Ų12266%0.66363%0.627SS**  trans-6896.6151.650.70000105N230 E234N230-T232 PolarHBondContact O-N 3.37Å; T232-E234 PolarHBondContact O-N 3.15Å
233T40.5Very low40.1Very low109 Ų109123.2 Ų123.267%0.66963%0.63SS**  trans-47.7110.4172.4-56.50000108.3E231 D235E231-T233 PolarHBondContact O-N 2.98Å; T233-D235 PolarHBondContact O-N 2.73Å
234E47.9Very low40.6Very low138 Ų138123.7 Ų123.765%0.64562%0.624SS**  trans-52.5118.3174.4-66.8-177171.500107.4T232 K236 L240T232-E234 PolarHBondContact O-N 3.15Å; E234-K236 PolarHBondContact O-N 3.3Å; E234-L240 HydrophobicContact CG-CD1 3.97Å; E234-L240 WeakPolarHBondContact OE1-CD1 3.48Å
235D54.3Low40.8Very low27 Ų27123.2 Ų123.214%0.14462%0.619CS.*  trans-69.313216167.9-20.3000105.9R106 T233 M237 G238 S239R106-D235 IonicContact CZ-OD2 3.92Å; R106-D235 IonicContact NH1-OD2 2.77Å; R106-D235 PolarHBondContact NH1-OD2 2.9Å; R106-D235 IonicContact NH2-OD2 3.78Å; R106-D235 PolarHBondContact NH2-OD2 2.82Å; T233-D235 PolarHBondContact O-N 2.73Å; D235-M237 HydrophobicContact CB-CB 4.45Å; D235-M237 PolarHBondContact O-N 3.37Å; D235-G238 PolarHBondContact O-N 3.18Å; D235-S239 VanDerWaalsContact CG-CB 3.41Å; D235-S239 WeakPolarHBondContact OD1-CA 3.34Å; D235-S239 WeakPolarHBondContact OD1-CB 3.39Å; D235-S239 PolarHBondContact OD1-N 2.76Å; D235-S239 WeakPolarHBondContact OD2-CB 3.22Å
236K56Low41Very low191 Ų191120.6 Ų120.683%0.8362%0.617SS**THydrogen-bonded Turntrans-6517.4177.1-65.2-179.1174.6-174.90113.3Y146 E234Y146-K236 PolarHBondContact OH-O 3.11Å; Y146-K236 VanDerWaalsContact OH-O 3.1Å; E234-K236 PolarHBondContact O-N 3.3Å
237M53.5Low40.9Very low69 Ų69120.7 Ų120.734%0.3462%0.623SS.*THydrogen-bonded Turntrans-11810.2-172.7-61.3-64.9-68.600112R106 D235R106-M237 VanDerWaalsContact CZ-CB 3.49Å; R106-M237 PolarHBondContact NH1-O 2.95Å; D235-M237 HydrophobicContact CB-CB 4.45Å; D235-M237 PolarHBondContact O-N 3.37Å
238G54.4Low41.3Very low20 Ų20119.7 Ų119.721%0.20662%0.618CS.*THydrogen-bonded Turntrans85.126.1166.700000116.1Y146 D235 L240Y146-G238 PolarHBondContact OH-N 3.15Å; D235-G238 PolarHBondContact O-N 3.18Å; G238-L240 PolarHBondContact O-N 3.48Å
239S51.4Low41.6Very low40 Ų40118.6 Ų118.628%0.2862%0.619SS.*  trans-82.451.4175.1-169.10000112.9D235D235-S239 VanDerWaalsContact CG-CB 3.41Å; D235-S239 WeakPolarHBondContact OD1-CA 3.34Å; D235-S239 WeakPolarHBondContact OD1-CB 3.39Å; D235-S239 PolarHBondContact OD1-N 2.76Å; D235-S239 WeakPolarHBondContact OD2-CB 3.22Å
240L45.2Very low41.5Very low98 Ų98119.3 Ų119.351%0.51362%0.623SS.*  trans-117.980.3168-92.4177.2000109.5E234 G238E234-L240 HydrophobicContact CG-CD1 3.97Å; E234-L240 WeakPolarHBondContact OE1-CD1 3.48Å; G238-L240 PolarHBondContact O-N 3.48Å
241H42.7Very low41.3Very low146 Ų146117.4 Ų117.468%0.67662%0.622SS**  trans-159.267.2164.3-87.496.3000110.5
242N42.9Very low41.1Very low99 Ų99115.7 Ų115.753%0.52962%0.623SS.*  trans-130.475.3161.2-84.6-0.8000108.8Y74Y74-N242 PolarHBondContact O-ND2 3.39Å
243F33.7Very low40.8Very low182 Ų182119.8 Ų119.880%0.79863%0.634SS**  trans-129.598.4151.7-153-92.8000106.8P245F243-P245 HydrophobicContact CD1-CB 4.43Å; F243-P245 HydrophobicContact CE1-CB 4.35Å; F243-P245 VanDerWaalsContact O-CD 3.25Å; F243-P245 WeakPolarHBondContact O-CD 3.48Å
244I43.1Very low40.2Very low136 Ų136119.6 Ų119.670%0.69764%0.638SS**  trans-88.7104.2164.6-60.9168.4000104.3
245P35.4Very low39.2Very low79 Ų79122.3 Ų122.351%0.51365%0.651SS.*  trans-65141.4168.126.9-30.1000108.3F243 V247F243-P245 HydrophobicContact CD1-CB 4.43Å; F243-P245 HydrophobicContact CE1-CB 4.35Å; F243-P245 VanDerWaalsContact O-CD 3.25Å; F243-P245 WeakPolarHBondContact O-CD 3.48Å; P245-V247 PolarHBondContact O-N 3.4Å; P245-V247 VanDerWaalsContact O-N 3.12Å
246P36.5Very low38Very low117 Ų117126 Ų12676%0.7668%0.679SS**  trans-63.8119.417626.9-30.9000108.2Q248P246-Q248 PolarHBondContact O-N 3.21Å; P246-Q248 VanDerWaalsContact O-N 3.07Å
247V33.3Very low36.8Very low132 Ų132122.1 Ų122.180%0.868%0.675SS**  trans-64.7109.1170176.40000107.2P245 K249P245-V247 PolarHBondContact O-N 3.4Å; P245-V247 VanDerWaalsContact O-N 3.12Å; V247-K249 PolarHBondContact O-N 2.87Å
248Q35.4Very low35.6Very low169 Ų169123.7 Ų123.779%0.7969%0.693SS**  trans-67.9116.3168-70.6-178.6-13.300107.9P246 T250P246-Q248 PolarHBondContact O-N 3.21Å; P246-Q248 VanDerWaalsContact O-N 3.07Å; Q248-T250 PolarHBondContact O-N 3.44Å; Q248-T250 VanDerWaalsContact O-N 3.11Å
249K30.6Very low34.4Very low203 Ų203127.8 Ų127.888%0.88372%0.718SS**  trans-67.6104.2166.8-67179.7179.7179.50107.9V247 S251V247-K249 PolarHBondContact O-N 2.87Å; K249-S251 PolarHBondContact O-N 3.4Å
250T27.1Very low33.4Very low126 Ų126131.9 Ų131.977%0.77375%0.747SS**  trans-75.799.1163.650.30000108.1Q248 T252Q248-T250 PolarHBondContact O-N 3.44Å; Q248-T250 VanDerWaalsContact O-N 3.11Å; T250-T252 PolarHBondContact O-N 3.5Å
251S30.5Very low32.5Very low113 Ų113130.7 Ų130.779%0.7976%0.758SS**  trans-82107.6161.9580000108.4K249K249-S251 PolarHBondContact O-N 3.4Å
252T28.2Very low32Very low128 Ų128131 Ų13179%0.78577%0.771SS**  trans-82.6108.1164.6-47.20000107.7T250T250-T252 PolarHBondContact O-N 3.5Å
253Q33.7Very low31.6Very low193 Ų193135.7 Ų135.790%0.90279%0.786SS**  trans-140.5115.3154.6-73.9-166.7-12.500108.9
254S29.1Very low31.4Very low106 Ų106136.4 Ų136.474%0.74179%0.792SS**  trans-77.8134.7164.147.10000109.5
255E26.8Very low30.7Very low195 Ų195133.3 Ų133.391%0.91179%0.794SS**  trans-170.4145.5137.7-105.8169.4-149.100111.4
256S28.5Very low30.4Very low105 Ų105136.9 Ų136.973%0.73481%0.809SS**  trans-93147.8-173.148.90000112.6
257S30Very low30.3Very low108 Ų108138.4 Ų138.476%0.75581%0.81SS**  150.7129.3115.158.60000115.8
258S29.1Very low30.3Very low102 Ų102143.4 Ų143.471%0.71381%0.814SS**  trans56.1120.3140.357.30000125.1
259S28.3Very low30.4Very low106 Ų106143.8 Ų143.874%0.74182%0.816SS**  81.5119.8123.4730000121.8
260S30.7Very low30.5Very low126 Ų126142.3 Ų142.388%0.88181%0.809SS**  151.9133.8108.858.20000110.2
261G27.5Very low30.9Very low73 Ų73145.4 Ų145.475%0.75382%0.815SS**  trans-105.6147.5-178.200000112.2
262V32Very low31.1Very low154 Ų154148.1 Ų148.193%0.93381%0.813SS**  trans-145.3139.1151.5-177.50000107.9
263K34Very low31.4Very low196 Ų196149.7 Ų149.785%0.85282%0.815SS**  trans-96.8141.6179.6-66.3175.7175.1177.20110.8
264E28.8Very low31.5Very low197 Ų197145.5 Ų145.592%0.92181%0.807SS**  trans175.5131.6139.9-107175.2155.900105.3
265G30.2Very low32.1Very low72 Ų72145.9 Ų145.974%0.74281%0.805SS**  cis113.774.222.600000109
266D28.6Very low33.1Very low154 Ų154142 Ų14282%0.82480%0.796SS**  trans-163.8149.1137.6-129.2-20.1000116.1
267L33.7Very low34Very low149 Ų149142.3 Ų142.378%0.7880%0.799SS**  trans-69.2135.8-172.5-73.477.1000113.3
268R33.6Very low35.3Very low236 Ų236145.2 Ų145.289%0.89180%0.804SS**  trans-142123.4138-68.1-157.393.4-1522.9113.3
269Q37.2Very low37.4Very low178 Ų178150.7 Ų150.783%0.83281%0.809SS**  trans-17125.4171.4-82.5160.7-39.800119.6
270K32.5Very low39.4Very low171 Ų171154.6 Ų154.674%0.74381%0.813SS**  trans-40129.3152.3-82.7166.9169.4165.60113.2
271Q36.4Very low41.6Very low191 Ų191153.1 Ų153.189%0.89379%0.793SS**  trans-120.589.5134.9-76.6-171.9-24.500108I273Q271-I273 PolarHBondContact O-N 3.49Å
272K33.6Very low43.8Very low171 Ų171152.7 Ų152.774%0.74378%0.777SS**  trans-71109.6164-80.1-174.4174.1-170.90106.8S274K272-S274 VanDerWaalsContact C-N 3.27Å; K272-S274 PolarHBondContact O-N 3.1Å
273I35.3Very low45.4Very low161 Ų161155.6 Ų155.683%0.82677%0.771SS**  trans-67.896.6162.6-60.7168.4000105.8Q271 T275Q271-I273 PolarHBondContact O-N 3.49Å; I273-T275 PolarHBondContact O-N 3.21Å; I273-T275 VanDerWaalsContact O-N 3.09Å
274S34.7Very low47.6Very low104 Ų104150.5 Ų150.573%0.72776%0.757SS**  trans-6898.7171.1173.90000107.8K272K272-S274 VanDerWaalsContact C-N 3.27Å; K272-S274 PolarHBondContact O-N 3.1Å
275T43.2Very low49.8Very low114 Ų114142.6 Ų142.670%0.69972%0.722SS**PPolyproline II helixtrans-54.9125.1164.851.40000108.2I273 S277I273-T275 PolarHBondContact O-N 3.21Å; I273-T275 VanDerWaalsContact O-N 3.09Å; T275-S277 PolarHBondContact O-N 2.82Å; T275-S277 VanDerWaalsContact O-N 3.15Å
276P46.7Very low51.9Low113 Ų113144.8 Ų144.873%0.73471%0.713SS**PPolyproline II helixtrans-64.312418026.2-31.9000108.3I278P276-I278 PolarHBondContact O-N 3.28Å
277S48.1Very low53.9Low113 Ų113142.5 Ų142.579%0.7970%0.7SS**PPolyproline II helixtrans-49.4123.4170-171.80000108.5T275 R279T275-S277 PolarHBondContact O-N 2.82Å; T275-S277 VanDerWaalsContact O-N 3.15Å; S277-R279 PolarHBondContact O-N 3.04Å
278I57.9Low55.8Low169 Ų169141.9 Ų141.987%0.86769%0.693SS**  trans-67.186.1-178.5-61.1168.1000107.2P276 F280P276-I278 PolarHBondContact O-N 3.28Å; I278-F280 PolarHBondContact O-N 3.49Å
279R72.9Confident57.6Low216 Ų216133.7 Ų133.782%0.81567%0.672SS**  trans-77.4121.6172.4-168.6177.2-69.6-125.91.4107S277 M281S277-R279 PolarHBondContact O-N 3.04Å; R279-M281 PolarHBondContact O-N 3.01Å
280F70.1Confident59.2Low188 Ų188133.9 Ų133.983%0.82567%0.665SS**  trans-56.1113.3173.1-179.8-100.6000109.2I278I278-F280 PolarHBondContact O-N 3.49Å
281M76.4Confident61.1Low96 Ų96132.4 Ų132.447%0.47366%0.659SS.*  trans-106123.3176.6-72.7-134.975.600108.8R279 T285R279-M281 PolarHBondContact O-N 3.01Å; M281-T285 HydrophobicContact CE-CG2 4Å
282P73.1Confident62.7Low63 Ų63131.6 Ų131.641%0.40965%0.648SS.*  trans-63.3143.9-17923.8-30.5000110.4T284 T285P282-T284 PolarHBondContact O-N 2.64Å; P282-T285 HydrophobicContact CG-CG2 3.98Å; P282-T285 PolarHBondContact O-N 3.47Å; P282-T285 PolarHBondContact O-OG1 3.41Å
283R67.3Low64.5Low215 Ų215130.3 Ų130.381%0.81164%0.642SS**Hα-helixtrans-53.7-25.6-170.8-163.8172.4-178.9152.1-1114.5H286 L287R283-H286 PolarHBondContact O-N 2.9Å; R283-L287 PolarHBondContact O-N 3.45Å
284T80.3Confident65.9Low90 Ų90127.4 Ų127.455%0.55263%0.628SS**Hα-helixtrans-62.4-42.9174.8540000112.2P282 H286 L287 E288P282-T284 PolarHBondContact O-N 2.64Å; T284-H286 VanDerWaalsContact C-N 3.34Å; T284-H286 PolarHBondContact O-N 2.94Å; T284-L287 PolarHBondContact O-N 3.23Å; T284-L287 VanDerWaalsContact O-N 3.16Å; T284-E288 PolarHBondContact O-N 2.74Å
285T75.1Confident67.2Low31 Ų31126.7 Ų126.719%0.1962%0.616CS.*Hα-helixtrans-67.3-33.3179.861.50000112.6M281 P282 S289M281-T285 HydrophobicContact CE-CG2 4Å; P282-T285 HydrophobicContact CG-CG2 3.98Å; P282-T285 PolarHBondContact O-N 3.47Å; P282-T285 PolarHBondContact O-OG1 3.41Å; T285-S289 VanDerWaalsContact O-CB 3.29Å; T285-S289 WeakPolarHBondContact O-CB 3.45Å; T285-S289 PolarHBondContact O-N 3.01Å; T285-S289 PolarHBondContact O-OG 2.99Å
286H73.4Confident68Low118 Ų118125.6 Ų125.655%0.54660%0.603SS.*Hα-helixtrans-69.3-36.1172.9-79.8-64.7000112.6R283 T284 R290R283-H286 PolarHBondContact O-N 2.9Å; T284-H286 VanDerWaalsContact C-N 3.34Å; T284-H286 PolarHBondContact O-N 2.94Å; H286-R290 VanDerWaalsContact O-CB 3.27Å; H286-R290 WeakPolarHBondContact O-CB 3.27Å; H286-R290 PolarHBondContact O-N 3.44Å
287L70.3Confident68.5Low106 Ų106126.4 Ų126.456%0.55560%0.596SS**Hα-helixtrans-69.6-42.6175.6-73.7174.9000111.7R283 T284 R290 K291R283-L287 PolarHBondContact O-N 3.45Å; T284-L287 PolarHBondContact O-N 3.23Å; T284-L287 VanDerWaalsContact O-N 3.16Å; L287-R290 PolarHBondContact O-N 2.93Å; L287-K291 WeakPolarHBondContact O-CB 3.35Å; L287-K291 PolarHBondContact O-N 3.46Å
288E73.9Confident68.8Low135 Ų135124.1 Ų124.163%0.63158%0.578SS**Hα-helixtrans-65.3-41.6175.1-74.4174.618000112.1T284 R290 K291 R292T284-E288 PolarHBondContact O-N 2.74Å; E288-R290 VanDerWaalsContact C-N 3.31Å; E288-R290 PolarHBondContact O-N 2.86Å; E288-K291 PolarHBondContact O-N 3.16Å; E288-R292 WeakPolarHBondContact O-CB 3.4Å; E288-R292 PolarHBondContact O-N 3.25Å
289S72.1Confident68.4Low64 Ų64122.4 Ų122.445%0.44856%0.564SS.*Hα-helixtrans-63.2-38.8174.9-59.70000111.8T285 K293T285-S289 VanDerWaalsContact O-CB 3.29Å; T285-S289 WeakPolarHBondContact O-CB 3.45Å; T285-S289 PolarHBondContact O-N 3.01Å; T285-S289 PolarHBondContact O-OG 2.99Å; S289-K293 WeakPolarHBondContact O-CB 3.29Å; S289-K293 WeakPolarHBondContact O-CG 3.35Å; S289-K293 PolarHBondContact O-N 3.32Å
290R69.7Low67.3Low182 Ų182119.7 Ų119.769%0.68756%0.559SS**Hα-helixtrans-69.7-35175.7-172.7179.6-89.5170.2-7.8111.5H286 L287 E288 L294H286-R290 VanDerWaalsContact O-CB 3.27Å; H286-R290 WeakPolarHBondContact O-CB 3.27Å; H286-R290 PolarHBondContact O-N 3.44Å; L287-R290 PolarHBondContact O-N 2.93Å; E288-R290 VanDerWaalsContact C-N 3.31Å; E288-R290 PolarHBondContact O-N 2.86Å; R290-L294 PolarHBondContact O-N 3.1Å; R290-L294 VanDerWaalsContact O-N 3.1Å
291K73.6Confident66.3Low141 Ų141117.1 Ų117.161%0.61355%0.553SS**Hα-helixtrans-67.8-47174.4-166.3-177.6176.9-172.70111.4L287 E288 K293 L294 D295L287-K291 WeakPolarHBondContact O-CB 3.35Å; L287-K291 PolarHBondContact O-N 3.46Å; E288-K291 PolarHBondContact O-N 3.16Å; K291-K293 VanDerWaalsContact C-N 3.32Å; K291-K293 PolarHBondContact O-N 2.83Å; K291-L294 WeakPolarHBondContact O-CB 3.46Å; K291-L294 PolarHBondContact O-N 3.06Å; K291-D295 VanDerWaalsContact O-CG 3.29Å; K291-D295 PolarHBondContact O-N 2.97Å
292R69.8Low64.8Low174 Ų174120.6 Ų120.666%0.65757%0.565SS**Hα-helixtrans-60.6-38.1175.3-171.4177.5175.2161.66.4112.4E288 D295 E296E288-R292 WeakPolarHBondContact O-CB 3.4Å; E288-R292 PolarHBondContact O-N 3.25Å; R292-D295 PolarHBondContact O-N 2.97Å; R292-E296 IonicContact NE-OE1 3.25Å; R292-E296 PolarHBondContact NE-OE1 3.37Å; R292-E296 WeakPolarHBondContact O-CB 3.44Å; R292-E296 VanDerWaalsContact O-CG 3.28Å; R292-E296 WeakPolarHBondContact O-CG 3.14Å; R292-E296 PolarHBondContact O-N 3.37Å
293K70.1Confident63.4Low143 Ų143124 Ų12462%0.62258%0.576SS**Hα-helixtrans-66.3-34.6173-78.6-174.4177-169.50113.6S289 K291 Q297S289-K293 WeakPolarHBondContact O-CB 3.29Å; S289-K293 WeakPolarHBondContact O-CG 3.35Å; S289-K293 PolarHBondContact O-N 3.32Å; K291-K293 VanDerWaalsContact C-N 3.32Å; K291-K293 PolarHBondContact O-N 2.83Å; K293-Q297 WeakPolarHBondContact O-CB 3.28Å; K293-Q297 PolarHBondContact O-N 3.34Å
294L64.9Low62.2Low101 Ų101116.7 Ų116.753%0.52956%0.562SS.*Hα-helixtrans-69-43.1172.3-99.2171.2000110.8R290 K291 E296 Q297 T298R290-L294 PolarHBondContact O-N 3.1Å; R290-L294 VanDerWaalsContact O-N 3.1Å; K291-L294 WeakPolarHBondContact O-CB 3.46Å; K291-L294 PolarHBondContact O-N 3.06Å; L294-E296 VanDerWaalsContact C-N 3.34Å; L294-E296 PolarHBondContact O-N 3.2Å; L294-Q297 PolarHBondContact O-N 3.15Å; L294-T298 WeakPolarHBondContact O-CG2 3.33Å; L294-T298 PolarHBondContact O-N 3.45Å; L294-T298 PolarHBondContact O-OG1 3.03Å
295D63.2Low60.7Low89 Ų89119.3 Ų119.348%0.47657%0.572SS.*Hα-helixtrans-64.1-40177.6-63.6-26.2000110.9K291 R292 T298 F299K291-D295 VanDerWaalsContact O-CG 3.29Å; K291-D295 PolarHBondContact O-N 2.97Å; R292-D295 PolarHBondContact O-N 2.97Å; D295-T298 VanDerWaalsContact CA-OG1 3.28Å; D295-T298 WeakPolarHBondContact CA-OG1 3.28Å; D295-T298 PolarHBondContact O-N 2.81Å; D295-T298 PolarHBondContact O-OG1 2.86Å; D295-F299 PolarHBondContact O-N 3.24Å
296E58.8Low59.6Low91 Ų91126.5 Ų126.543%0.42560%0.601SS.*Hα-helixtrans-64.2-43.1172.2-76169.4-170.700111.9R292 L294 T298 F299 F300R292-E296 IonicContact NE-OE1 3.25Å; R292-E296 PolarHBondContact NE-OE1 3.37Å; R292-E296 WeakPolarHBondContact O-CB 3.44Å; R292-E296 VanDerWaalsContact O-CG 3.28Å; R292-E296 WeakPolarHBondContact O-CG 3.14Å; R292-E296 PolarHBondContact O-N 3.37Å; L294-E296 VanDerWaalsContact C-N 3.34Å; L294-E296 PolarHBondContact O-N 3.2Å; E296-T298 VanDerWaalsContact C-N 3.33Å; E296-T298 PolarHBondContact O-N 3.22Å; E296-F299 WeakPolarHBondContact O-CB 3.41Å; E296-F299 PolarHBondContact O-N 3.46Å; E296-F299 VanDerWaalsContact O-N 3.15Å; E296-F300 WeakPolarHBondContact O-CD2 3.36Å; E296-F300 PolarHBondContact O-N 2.71Å
297Q56.8Low58.5Low129 Ų129127.5 Ų127.560%0.60362%0.615SS**Hα-helixtrans-64-35.6172.7-86.4-175.1-2.600112.9K293 L294 F299 F300 L301K293-Q297 WeakPolarHBondContact O-CB 3.28Å; K293-Q297 PolarHBondContact O-N 3.34Å; L294-Q297 PolarHBondContact O-N 3.15Å; Q297-F299 VanDerWaalsContact C-N 3.25Å; Q297-F299 PolarHBondContact O-N 3.48Å; Q297-F300 PolarHBondContact O-N 3.29Å; Q297-L301 PolarHBondContact O-N 3.09Å
298T55.6Low57.1Low66 Ų66125.9 Ų125.941%0.40562%0.624SS.*Hα-helixtrans-70.7-22.3174.657.40000113L294 D295 E296 K302L294-T298 WeakPolarHBondContact O-CG2 3.33Å; L294-T298 PolarHBondContact O-N 3.45Å; L294-T298 PolarHBondContact O-OG1 3.03Å; D295-T298 VanDerWaalsContact CA-OG1 3.28Å; D295-T298 WeakPolarHBondContact CA-OG1 3.28Å; D295-T298 PolarHBondContact O-N 2.81Å; D295-T298 PolarHBondContact O-OG1 2.86Å; E296-T298 VanDerWaalsContact C-N 3.33Å; E296-T298 PolarHBondContact O-N 3.22Å; T298-K302 WeakPolarHBondContact O-CB 3.29Å; T298-K302 WeakPolarHBondContact O-CG 3.46Å; T298-K302 PolarHBondContact O-N 3.3Å; T298-K302 VanDerWaalsContact O-N 3.16Å
299F50.3Low56.1Low133 Ų133125.5 Ų125.558%0.58363%0.631SS**Hα-helixtrans-70.2-47171.2-157-89.9000110.6D295 E296 Q297 L301 K302 E303D295-F299 PolarHBondContact O-N 3.24Å; E296-F299 WeakPolarHBondContact O-CB 3.41Å; E296-F299 PolarHBondContact O-N 3.46Å; E296-F299 VanDerWaalsContact O-N 3.15Å; Q297-F299 VanDerWaalsContact C-N 3.25Å; Q297-F299 PolarHBondContact O-N 3.48Å; F299-L301 VanDerWaalsContact C-N 3.27Å; F299-L301 PolarHBondContact O-N 2.83Å; F299-K302 PolarHBondContact O-N 3.28Å; F299-K302 VanDerWaalsContact O-N 3.16Å; F299-E303 VanDerWaalsContact CE1-OE2 3.29Å; F299-E303 WeakPolarHBondContact CE1-OE2 3.48Å; F299-E303 PolarHBondContact O-N 3.46Å; F299-E303 VanDerWaalsContact O-N 3.12Å
300F49Very low55.5Low158 Ų158130.4 Ų130.469%0.69365%0.651SS**Hα-helixtrans-62.2-31.5174.3-71.9-72.6000113.7E296 Q297E296-F300 WeakPolarHBondContact O-CD2 3.36Å; E296-F300 PolarHBondContact O-N 2.71Å; Q297-F300 PolarHBondContact O-N 3.29Å
301L49.3Very low54.7Low134 Ų134129.6 Ų129.670%0.70266%0.659SS**Hα-helixtrans-78.1-22.3176.8-107.3149.7000113.8Q297 F299Q297-L301 PolarHBondContact O-N 3.09Å; F299-L301 VanDerWaalsContact C-N 3.27Å; F299-L301 PolarHBondContact O-N 2.83Å
302K43.5Very low54.9Low169 Ų169125.3 Ų125.374%0.73566%0.655SS**Hα-helixtrans-92.2-20.1177.7-82.5-178.8173.8179.60113.8T298 F299T298-K302 WeakPolarHBondContact O-CB 3.29Å; T298-K302 WeakPolarHBondContact O-CG 3.46Å; T298-K302 PolarHBondContact O-N 3.3Å; T298-K302 VanDerWaalsContact O-N 3.16Å; F299-K302 PolarHBondContact O-N 3.28Å; F299-K302 VanDerWaalsContact O-N 3.16Å
303E44Very low54.8Low135 Ų135123.3 Ų123.363%0.63166%0.664SS**THydrogen-bonded Turntrans-86-8.8178.1-124.5165.8-173.100113.4F299F299-E303 VanDerWaalsContact CE1-OE2 3.29Å; F299-E303 WeakPolarHBondContact CE1-OE2 3.48Å; F299-E303 PolarHBondContact O-N 3.46Å; F299-E303 VanDerWaalsContact O-N 3.12Å
304A43.2Very low54.9Low62 Ų62125.2 Ų125.251%0.51267%0.672SS.*THydrogen-bonded Turntrans-91.310.9-179.600000114.8K306A304-K306 PolarHBondContact O-N 3.12Å
305D47.4Very low55.2Low144 Ų144127.8 Ų127.877%0.7769%0.686SS**SBendtrans-79.66.7175.6-76.6-20.8000113.4
306K53.2Low55.7Low182 Ų182129.1 Ų129.179%0.79170%0.699SS**SBendtrans-134.1106.7170.6-65.8179.3-176.9175.20108.9A304A304-K306 PolarHBondContact O-N 3.12Å
307T49.8Very low56.1Low140 Ų140133.1 Ų133.186%0.85972%0.718SS**SBendtrans89.177.2-179.673.80000115.4V309T307-V309 PolarHBondContact O-N 3.16Å
308G41.5Very low56.4Low71 Ų71134.6 Ų134.673%0.73273%0.729SS**  trans-79.4113.6175.900000113
309V51.7Low56.9Low128 Ų128137.2 Ų137.278%0.77675%0.747SS**  trans-105.298.6156.8179.50000107.1T307 I311T307-V309 PolarHBondContact O-N 3.16Å; V309-I311 HydrophobicContact CG1-CD1 4.37Å; V309-I311 HydrophobicContact CG1-CG1 4.24Å
310L59.7Low57.9Low166 Ų166139.8 Ų139.887%0.86976%0.758SS**  trans-84.1109.3176.4-89.4148.7000109.4
311I54.5Low59.1Low166 Ų166137.1 Ų137.185%0.85175%0.75SS**  trans-98104.8172.3-69.3161.4000108.5V309V309-I311 HydrophobicContact CG1-CD1 4.37Å; V309-I311 HydrophobicContact CG1-CG1 4.24Å
312G77.6Confident60.6Low51 Ų51135.6 Ų135.653%0.52674%0.743SS.*SBendtrans170152.3175.300000110.3K314G312-K314 PolarHBondContact O-N 3.16Å; G312-K314 VanDerWaalsContact O-N 3.09Å
313P67.7Low62.3Low132 Ų132132 Ų13286%0.85773%0.73SS**PPolyproline II helixtrans-59.3118.9174.324.2-31.2000108.7L315P313-L315 PolarHBondContact O-N 3.31Å
314K72Confident64.1Low183 Ų183134.5 Ų134.580%0.79674%0.742SS**PPolyproline II helixtrans-57.2128.3179.4-77.1-177.1174.7-178.30108.8G312G312-K314 PolarHBondContact O-N 3.16Å; G312-K314 VanDerWaalsContact O-N 3.09Å
315L71.3Confident66.2Low154 Ų154134.6 Ų134.681%0.80673%0.734SS**PPolyproline II helixtrans-53.8140.2165.6-108.680.1000108.4P313 E317P313-L315 PolarHBondContact O-N 3.31Å; L315-E317 PolarHBondContact O-N 3.07Å
316P73.6Confident67.9Low117 Ų117132.3 Ų132.376%0.7673%0.729SS**PPolyproline II helixtrans-52.4129.3172.8-2432.9000109.9L318P316-L318 PolarHBondContact O-N 3.35Å
317E66.8Low69.7Low175 Ų175126.7 Ų126.782%0.81871%0.712SS**PPolyproline II helixtrans-60.1132175.7-70.4-177.6179.400108.8L315L315-E317 PolarHBondContact O-N 3.07Å
318L63.4Low71.4Confident160 Ų160124.1 Ų124.184%0.83869%0.693SS**PPolyproline II helixtrans-60.8126.5177.8-67.6174.6000108.2P316 K320P316-L318 PolarHBondContact O-N 3.35Å; L318-K320 PolarHBondContact O-N 3.24Å; L318-K320 VanDerWaalsContact O-N 3.17Å
319P66.3Low73.6Confident121 Ų121122.1 Ų122.179%0.78667%0.666SS**PPolyproline II helixtrans-60125-177.822.8-31.6000109.2L321P319-L321 PolarHBondContact O-N 3.21Å
320K71.1Confident75.3Confident188 Ų188120.8 Ų120.882%0.81766%0.657SS**  trans-68.3104.2175.8-168.6176.9-178.7-173.70107.5L318 D322L318-K320 PolarHBondContact O-N 3.24Å; L318-K320 VanDerWaalsContact O-N 3.17Å; K320-D322 PolarHBondContact O-N 3.21Å
321L73.8Confident76.8Confident101 Ų101116.5 Ų116.553%0.52964%0.638SS.*  trans-67.7102.6172.7179.972.8000108P319 M323P319-L321 PolarHBondContact O-N 3.21Å; L321-M323 HydrophobicContact CD1-SD 3.9Å; L321-M323 HydrophobicContact CD2-SD 4.01Å; L321-M323 HydrophobicContact CG-CG 4.38Å; L321-M323 HydrophobicContact CG-SD 3.86Å
322D79.8Confident78.4Confident103 Ų103109.6 Ų109.655%0.55161%0.606SS**  trans-102115.8171.8-168.5-11.4000107.8K320 E324 N329K320-D322 PolarHBondContact O-N 3.21Å; D322-E324 PolarHBondContact O-N 3.28Å; D322-E324 PolarHBondContact OD1-N 3.17Å; D322-N329 PolarHBondContact OD1-ND2 3.24Å
323M80.1Confident78.8Confident92 Ų92110.7 Ų110.745%0.45360%0.6SS.*  trans-86.710.2-176.4-64.8-62.4-57.900112.9L321 D325 L328 N329L321-M323 HydrophobicContact CD1-SD 3.9Å; L321-M323 HydrophobicContact CD2-SD 4.01Å; L321-M323 HydrophobicContact CG-CG 4.38Å; L321-M323 HydrophobicContact CG-SD 3.86Å; M323-D325 PolarHBondContact O-N 3.46Å; M323-L328 HydrophobicContact CB-CB 4.1Å; M323-N329 PolarHBondContact N-OD1 3.14Å
324E81.3Confident79.8Confident189 Ų189109.8 Ų109.888%0.88359%0.587SS**SBendtrans581.6-176.4-59.3179.3177.600114.8D322D322-E324 PolarHBondContact O-N 3.28Å; D322-E324 PolarHBondContact OD1-N 3.17Å
325D88.4Confident80.5Confident63 Ų63105.5 Ų105.534%0.33757%0.572SS.*  trans-119.2121.9176.4-176-16.1000109.6M323 S327 L328 N329M323-D325 PolarHBondContact O-N 3.46Å; D325-S327 VanDerWaalsContact CG-OG 3.24Å; D325-S327 PolarHBondContact O-N 3.38Å; D325-S327 WeakPolarHBondContact OD1-CB 3.41Å; D325-S327 PolarHBondContact OD1-N 3.03Å; D325-S327 PolarHBondContact OD1-OG 3.05Å; D325-S327 PolarHBondContact OD2-OG 3.02Å; D325-L328 HydrophobicContact CB-CB 4.12Å; D325-L328 HydrophobicContact CB-CD1 4Å; D325-L328 HydrophobicContact CB-CG 4.02Å; D325-L328 PolarHBondContact O-N 3.02Å; D325-N329 WeakPolarHBondContact O-CB 3.39Å; D325-N329 VanDerWaalsContact O-CG 3.26Å; D325-N329 PolarHBondContact O-N 3.49Å; D325-N329 PolarHBondContact O-ND2 3.06Å; D325-N329 VanDerWaalsContact O-ND2 3.1Å
326S82.8Confident81.3Confident96 Ų96102.8 Ų102.867%0.67155%0.551SS**Hα-helixtrans-60.1-34.3-179.760.60000112.6V330S326-V330 VanDerWaalsContact O-CG2 3.23Å; S326-V330 WeakPolarHBondContact O-CG2 3.46Å; S326-V330 PolarHBondContact O-N 3.5Å; S326-V330 VanDerWaalsContact O-N 3.14Å
327S89.9Confident81.9Confident64 Ų64102.1 Ų102.145%0.44854%0.541SS..Hα-helixtrans-73.4-41.6-17970.90000112.6D325 V330 T331D325-S327 VanDerWaalsContact CG-OG 3.24Å; D325-S327 PolarHBondContact O-N 3.38Å; D325-S327 WeakPolarHBondContact OD1-CB 3.41Å; D325-S327 PolarHBondContact OD1-N 3.03Å; D325-S327 PolarHBondContact OD1-OG 3.05Å; D325-S327 PolarHBondContact OD2-OG 3.02Å; S327-V330 PolarHBondContact O-N 3.46Å; S327-T331 PolarHBondContact O-N 3.39Å; S327-T331 VanDerWaalsContact O-N 3.15Å; S327-T331 PolarHBondContact O-OG1 3.08Å
328L86.3Confident82.9Confident86 Ų8697.4 Ų97.445%0.4553%0.525SS..Hα-helixtrans-69.4-38.6176.8-64.3-178.2000111.3M323 D325 V330 T331 A332M323-L328 HydrophobicContact CB-CB 4.1Å; D325-L328 HydrophobicContact CB-CB 4.12Å; D325-L328 HydrophobicContact CB-CD1 4Å; D325-L328 HydrophobicContact CB-CG 4.02Å; D325-L328 PolarHBondContact O-N 3.02Å; L328-V330 PolarHBondContact O-N 2.75Å; L328-T331 PolarHBondContact O-N 3.36Å; L328-A332 WeakPolarHBondContact O-CB 3.31Å; L328-A332 PolarHBondContact O-N 3.36Å
329N86.8Confident83.7Confident29 Ų2996 Ų9616%0.15552%0.515CS..Hα-helixtrans-64.5-39.1176.1-76.9-33.2000112.6D322 M323 D325 T331 A332 N333D322-N329 PolarHBondContact OD1-ND2 3.24Å; M323-N329 PolarHBondContact N-OD1 3.14Å; D325-N329 WeakPolarHBondContact O-CB 3.39Å; D325-N329 VanDerWaalsContact O-CG 3.26Å; D325-N329 PolarHBondContact O-N 3.49Å; D325-N329 PolarHBondContact O-ND2 3.06Å; D325-N329 VanDerWaalsContact O-ND2 3.1Å; N329-T331 VanDerWaalsContact C-N 3.35Å; N329-A332 PolarHBondContact O-N 2.93Å; N329-N333 WeakPolarHBondContact O-CB 3.37Å; N329-N333 PolarHBondContact O-N 3.32Å; N329-N333 PolarHBondContact O-ND2 2.99Å; N329-N333 VanDerWaalsContact O-ND2 3.09Å
330V88.6Confident84.4Confident100 Ų10094.5 Ų94.561%0.60650%0.504SS*.Hα-helixtrans-61.5-45.3173.1168.80000110.7S326 S327 L328 N333 L334S326-V330 VanDerWaalsContact O-CG2 3.23Å; S326-V330 WeakPolarHBondContact O-CG2 3.46Å; S326-V330 PolarHBondContact O-N 3.5Å; S326-V330 VanDerWaalsContact O-N 3.14Å; S327-V330 PolarHBondContact O-N 3.46Å; L328-V330 PolarHBondContact O-N 2.75Å; V330-N333 PolarHBondContact O-N 2.84Å; V330-L334 PolarHBondContact O-N 3.23Å
331T90.4Very high84.9Confident76 Ų7692.8 Ų92.847%0.46650%0.497SS..Hα-helixtrans-64.8-44.9179.3-53.80000111.5S327 L328 N329 N333 L334 I335S327-T331 PolarHBondContact O-N 3.39Å; S327-T331 VanDerWaalsContact O-N 3.15Å; S327-T331 PolarHBondContact O-OG1 3.08Å; L328-T331 PolarHBondContact O-N 3.36Å; N329-T331 VanDerWaalsContact C-N 3.35Å; T331-N333 VanDerWaalsContact C-N 3.33Å; T331-N333 PolarHBondContact O-N 2.91Å; T331-L334 WeakPolarHBondContact O-CB 3.48Å; T331-L334 PolarHBondContact O-N 3.5Å; T331-I335 HydrophobicContact CG2-CD1 4.12Å; T331-I335 VanDerWaalsContact O-CG1 3.32Å; T331-I335 WeakPolarHBondContact O-CG1 3.43Å; T331-I335 PolarHBondContact O-N 3.31Å
332A87.6Confident85Confident21 Ų2191.3 Ų91.317%0.17450%0.499CS..Hα-helixtrans-61.6-40.3176.900000112.1L328 N329 I335 R336L328-A332 WeakPolarHBondContact O-CB 3.31Å; L328-A332 PolarHBondContact O-N 3.36Å; N329-A332 PolarHBondContact O-N 2.93Å; A332-I335 PolarHBondContact O-N 3.32Å; A332-R336 WeakPolarHBondContact O-CG 3.28Å; A332-R336 PolarHBondContact O-N 2.9Å
333N86.4Confident84.5Confident75 Ų7590.6 Ų90.640%0.40151%0.507SS..Hα-helixtrans-66.7-39.2175.2-72.8-29.6000112N329 V330 T331 I335 R336 N337N329-N333 WeakPolarHBondContact O-CB 3.37Å; N329-N333 PolarHBondContact O-N 3.32Å; N329-N333 PolarHBondContact O-ND2 2.99Å; N329-N333 VanDerWaalsContact O-ND2 3.09Å; V330-N333 PolarHBondContact O-N 2.84Å; T331-N333 VanDerWaalsContact C-N 3.33Å; T331-N333 PolarHBondContact O-N 2.91Å; N333-I335 VanDerWaalsContact C-N 3.34Å; N333-I335 PolarHBondContact O-N 2.89Å; N333-R336 PolarHBondContact O-N 3.36Å; N333-R336 PolarHBondContact OD1-NH1 3.42Å; N333-N337 WeakPolarHBondContact O-CB 3.36Å; N333-N337 PolarHBondContact O-N 3.37Å; N333-N337 PolarHBondContact O-ND2 3.39Å
334L89.8Confident83.9Confident113 Ų11390.4 Ų90.459%0.59252%0.515SS*.Hα-helixtrans-62.1-43.2174.8-170.464000111.2V330 T331 N337 T338V330-L334 PolarHBondContact O-N 3.23Å; T331-L334 WeakPolarHBondContact O-CB 3.48Å; T331-L334 PolarHBondContact O-N 3.5Å; L334-N337 PolarHBondContact O-N 2.97Å; L334-T338 WeakPolarHBondContact O-CG2 3.4Å; L334-T338 PolarHBondContact O-N 3.42Å; L334-T338 PolarHBondContact O-OG1 2.83Å
335I87.3Confident83.1Confident93 Ų9386 Ų8648%0.47750%0.501SS..Hα-helixtrans-63.2-44.5176.6-66164.5000111.5T331 A332 N333 N337 T338 M339T331-I335 HydrophobicContact CG2-CD1 4.12Å; T331-I335 VanDerWaalsContact O-CG1 3.32Å; T331-I335 WeakPolarHBondContact O-CG1 3.43Å; T331-I335 PolarHBondContact O-N 3.31Å; A332-I335 PolarHBondContact O-N 3.32Å; N333-I335 VanDerWaalsContact C-N 3.34Å; N333-I335 PolarHBondContact O-N 2.89Å; I335-N337 VanDerWaalsContact C-N 3.3Å; I335-N337 PolarHBondContact O-N 2.98Å; I335-T338 WeakPolarHBondContact CA-OG1 3.41Å; I335-T338 PolarHBondContact O-N 3.38Å; I335-T338 PolarHBondContact O-OG1 3.36Å; I335-M339 HydrophobicContact CG2-CG 4.39Å; I335-M339 VanDerWaalsContact O-CG 3.31Å; I335-M339 WeakPolarHBondContact O-CG 3.35Å; I335-M339 PolarHBondContact O-N 3.27Å
336R86.1Confident81.4Confident97 Ų9788.7 Ų88.737%0.36652%0.521SS..Hα-helixtrans-61.7-41.8176.5-71.3-176.7-158.3121.21111.4A332 N333 T338 M339 T340A332-R336 WeakPolarHBondContact O-CG 3.28Å; A332-R336 PolarHBondContact O-N 2.9Å; N333-R336 PolarHBondContact O-N 3.36Å; N333-R336 PolarHBondContact OD1-NH1 3.42Å; R336-T338 VanDerWaalsContact C-N 3.34Å; R336-T338 PolarHBondContact O-N 3.5Å; R336-M339 PolarHBondContact O-N 2.93Å; R336-T340 WeakPolarHBondContact O-CG2 3.35Å; R336-T340 PolarHBondContact O-N 3.44Å; R336-T340 PolarHBondContact O-OG1 3.19Å; R336-T340 VanDerWaalsContact O-OG1 3.05Å
337N87Confident79.6Confident103 Ų10393.2 Ų93.255%0.55153%0.532SS*.Hα-helixtrans-66.4-34.7177.9-70.7-15.1000112.6N333 L334 I335 T340 K341N333-N337 WeakPolarHBondContact O-CB 3.36Å; N333-N337 PolarHBondContact O-N 3.37Å; N333-N337 PolarHBondContact O-ND2 3.39Å; L334-N337 PolarHBondContact O-N 2.97Å; I335-N337 VanDerWaalsContact C-N 3.3Å; I335-N337 PolarHBondContact O-N 2.98Å; N337-T340 WeakPolarHBondContact CA-OG1 3.32Å; N337-T340 PolarHBondContact O-OG1 3.09Å; N337-K341 VanDerWaalsContact O-CB 3.28Å; N337-K341 WeakPolarHBondContact O-CB 3.48Å; N337-K341 PolarHBondContact O-N 3.1Å; N337-K341 VanDerWaalsContact O-N 3.08Å
338T87.9Confident77.6Confident76 Ų7694.5 Ų94.547%0.46655%0.547SS..Hα-helixtrans-72.3-38.9173.957.20000111.7L334 I335 R336 K341 A342L334-T338 WeakPolarHBondContact O-CG2 3.4Å; L334-T338 PolarHBondContact O-N 3.42Å; L334-T338 PolarHBondContact O-OG1 2.83Å; I335-T338 WeakPolarHBondContact CA-OG1 3.41Å; I335-T338 PolarHBondContact O-N 3.38Å; I335-T338 PolarHBondContact O-OG1 3.36Å; R336-T338 VanDerWaalsContact C-N 3.34Å; R336-T338 PolarHBondContact O-N 3.5Å; T338-K341 PolarHBondContact O-N 2.85Å; T338-A342 WeakPolarHBondContact O-CB 3.23Å; T338-A342 PolarHBondContact O-N 3.5Å
339M80.3Confident75.4Confident129 Ų12999.6 Ų99.664%0.63557%0.565SS**Hα-helixtrans-63.9-43.9175.4-71.6-135.772.400112.5I335 R336 K341 A342 A343I335-M339 HydrophobicContact CG2-CG 4.39Å; I335-M339 VanDerWaalsContact O-CG 3.31Å; I335-M339 WeakPolarHBondContact O-CG 3.35Å; I335-M339 PolarHBondContact O-N 3.27Å; R336-M339 PolarHBondContact O-N 2.93Å; M339-K341 VanDerWaalsContact C-N 3.34Å; M339-A342 PolarHBondContact O-N 3.46Å; M339-A343 WeakPolarHBondContact O-CB 3.45Å; M339-A343 PolarHBondContact O-N 3.14Å
340T81Confident73.2Confident90 Ų90104 Ų10455%0.55260%0.595SS**Hα-helixtrans-65-40.2175.449.50000111.4R336 N337 A343 S344R336-T340 WeakPolarHBondContact O-CG2 3.35Å; R336-T340 PolarHBondContact O-N 3.44Å; R336-T340 PolarHBondContact O-OG1 3.19Å; R336-T340 VanDerWaalsContact O-OG1 3.05Å; N337-T340 WeakPolarHBondContact CA-OG1 3.32Å; N337-T340 PolarHBondContact O-OG1 3.09Å; T340-A343 PolarHBondContact O-N 2.96Å; T340-S344 WeakPolarHBondContact O-CB 3.38Å; T340-S344 PolarHBondContact O-N 2.91Å; T340-S344 PolarHBondContact O-OG 2.72Å
341K82.3Confident70.8Confident153 Ų153106.1 Ų106.167%0.66561%0.608SS**Hα-helixtrans-62-43.7173.9-169.7174.5-178.1178.70111.7N337 T338 M339 S344 V345N337-K341 VanDerWaalsContact O-CB 3.28Å; N337-K341 WeakPolarHBondContact O-CB 3.48Å; N337-K341 PolarHBondContact O-N 3.1Å; N337-K341 VanDerWaalsContact O-N 3.08Å; T338-K341 PolarHBondContact O-N 2.85Å; M339-K341 VanDerWaalsContact C-N 3.34Å; K341-S344 PolarHBondContact O-N 3Å; K341-S344 PolarHBondContact O-OG 3.25Å; K341-V345 PolarHBondContact O-N 3.38Å
342A74.8Confident68.3Low69 Ų69110.2 Ų110.257%0.5763%0.627SS**Hα-helixtrans-64.5-39.4176.800000112.5T338 M339 S344 V345T338-A342 WeakPolarHBondContact O-CB 3.23Å; T338-A342 PolarHBondContact O-N 3.5Å; M339-A342 PolarHBondContact O-N 3.46Å; A342-S344 VanDerWaalsContact C-N 3.26Å; A342-S344 PolarHBondContact O-N 2.83Å; A342-V345 PolarHBondContact O-N 3.3Å
343A69.6Low66Low88 Ų88113 Ų11373%0.72765%0.649SS**Hα-helixtrans-67.9-24.6175.500000113.3M339 T340M339-A343 WeakPolarHBondContact O-CB 3.45Å; M339-A343 PolarHBondContact O-N 3.14Å; T340-A343 PolarHBondContact O-N 2.96Å
344S68.3Low63.9Low89 Ų89119.4 Ų119.462%0.62267%0.674SS**THydrogen-bonded Turntrans-85.4-8.7-179.772.80000114.9T340 K341 A342T340-S344 WeakPolarHBondContact O-CB 3.38Å; T340-S344 PolarHBondContact O-N 2.91Å; T340-S344 PolarHBondContact O-OG 2.72Å; K341-S344 PolarHBondContact O-N 3Å; K341-S344 PolarHBondContact O-OG 3.25Å; A342-S344 VanDerWaalsContact C-N 3.26Å; A342-S344 PolarHBondContact O-N 2.83Å
345V63.9Low61.5Low97 Ų97122.5 Ų122.559%0.58869%0.685SS**SBendtrans-83.7122.2176.6178.50000109K341 A342 E347K341-V345 PolarHBondContact O-N 3.38Å; A342-V345 PolarHBondContact O-N 3.3Å; V345-E347 PolarHBondContact O-N 3.49Å
346P53.1Low59.3Low118 Ų118124.2 Ų124.277%0.76670%0.7SS**  trans-65.3122.8175.925.1-31000110.1A348P346-A348 PolarHBondContact O-N 3.15Å; P346-A348 VanDerWaalsContact O-N 3.14Å
347E44.9Very low57.5Low191 Ų191126 Ų12689%0.89372%0.721SS**  trans-59110.7-179.7-157.5174.3-164.300110.7V345 K349V345-E347 PolarHBondContact O-N 3.49Å; E347-K349 PolarHBondContact O-N 3.19Å
348A46.6Very low55.7Low92 Ų92126.9 Ų126.976%0.7673%0.733SS**PPolyproline II helixtrans-70.9124.4170.700000109P346P346-A348 PolarHBondContact O-N 3.15Å; P346-A348 VanDerWaalsContact O-N 3.14Å
349K41.8Very low54.4Low193 Ų193132.9 Ų132.984%0.83975%0.752SS**PPolyproline II helixtrans-47.3131.9178.7-67176.2178.9176.70111.4E347 V351E347-K349 PolarHBondContact O-N 3.19Å; K349-V351 PolarHBondContact O-N 2.96Å
350P40.4Very low53.3Low121 Ų121132.9 Ų132.979%0.78676%0.762SS**PPolyproline II helixtrans-68.6129.8174.926-31.1000110.8L352P350-L352 PolarHBondContact O-N 2.75Å
351V37Very low52.4Low145 Ų145140.4 Ų140.488%0.87978%0.78SS**  trans-61.4111.6171.1173.70000108.4K349K349-V351 PolarHBondContact O-N 2.96Å
352L39.3Very low51.2Low162 Ų162144.3 Ų144.385%0.84879%0.791SS**  trans-75.6125.5175.4-136.7142.2000108.9P350P350-L352 PolarHBondContact O-N 2.75Å
353A38.1Very low50.2Low78 Ų78152.9 Ų152.965%0.64581%0.808SS**  trans-54.7148.817500000112.2H355A353-H355 PolarHBondContact O-N 2.87Å
354K43.3Very low49.5Very low211 Ų211160 Ų16092%0.91783%0.832SS**  trans-49.3115.2178.4-63.1170.8179.9175.80111.6
355H39.4Very low48.5Very low178 Ų178163.6 Ų163.682%0.82484%0.842SS**  trans-126.6134.7153.7-96.1-79.2000109.5A353A353-H355 PolarHBondContact O-N 2.87Å
356T41.6Very low47.7Very low129 Ų129167.1 Ų167.179%0.79186%0.855SS**PPolyproline II helixtrans-48.3138.4-174.349.30000115.1
357T47.1Very low47.4Very low133 Ų133169.8 Ų169.882%0.81686%0.86SS**PPolyproline II helixtrans-69.4133.7171.246.50000111.9
358P48.7Very low47.6Very low122 Ų122168.5 Ų168.579%0.79286%0.858SS**PPolyproline II helixtrans-84.8134.6161.630.8-27.9000110.5
359K62.2Low47.6Very low203 Ų203173.3 Ų173.388%0.88387%0.865SS**PPolyproline II helixtrans-59.9145.3179.3-72.7174.1176.41750112.3
360P55.9Low48Very low128 Ų128172 Ų17283%0.83187%0.866SS**PPolyproline II helixtrans-72.2128.8172.128.7-31.9000111.2
361R61.5Low48.6Very low248 Ų248175.6 Ų175.694%0.93687%0.872SS**PPolyproline II helixtrans-79.8119.1176.4-156.3175.6178.4-168.1-1.4108.8R363R361-R363 PolarHBondContact O-N 2.97Å
362R57.1Low49.5Very low235 Ų235178 Ų17889%0.88787%0.871SS**PPolyproline II helixtrans-60.1131.2170.2-86.1-179.9163.6171.5-5.7109.1I364R362-I364 PolarHBondContact O-N 3.16Å
363R54.8Low50.3Low250 Ų250179.3 Ų179.394%0.94387%0.873SS**PPolyproline II helixtrans-62126.1162.3-85.5-180165-172.9-5.6107.8R361R361-R363 PolarHBondContact O-N 2.97Å
364I54.3Low51.4Low237 Ų237188.5 Ų188.5100%1.21589%0.894SS**  trans-102.50154.8-64176.2000105.1R362R362-I364 PolarHBondContact O-N 3.16Å

Retrieved 364 of 364 residues in 87.4 ms (Link to these results)