A0A087XT97_POEFO Loading...

Cyclin L1a

AlphaFold DB , UniProt , Accession A0A087XT97, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 538 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M34.4Very low30Very low251 Ų251140.1 Ų140.1100%1.23685%0.848SS**  0162.80-94.3164.5161.300109.7
2K28.4Very low30.1Very low194 Ų194137.6 Ų137.684%0.84384%0.842SS**  trans-89.1155.3-179-76-179177.1177.90111.6
3M26.8Very low30.1Very low183 Ų183138.8 Ų138.890%0.90184%0.84SS**  trans47.3146.3139.6-62.3-62.1-152.400120.2
4A29.4Very low31Very low89 Ų89136.4 Ų136.474%0.73684%0.842SS**  cis-162.1163.5-11.400000108.6
5A29.7Very low31.5Very low103 Ų103133.8 Ų133.885%0.85183%0.831SS**PPolyproline II helixtrans-88.1132169.300000110.7
6G28.4Very low32.3Very low69 Ų69135.3 Ų135.371%0.71183%0.832SS**PPolyproline II helixtrans-85.7148.4174.200000112.5
7P33.2Very low33.6Very low127 Ų127134.6 Ų134.683%0.82582%0.822SS**PPolyproline II helixtrans-77.2142.4177.431.9-34.5000112S9P7-S9 PolarHBondContact O-N 3.27Å
8L29.1Very low34.7Very low177 Ų177135.8 Ų135.893%0.92782%0.823SS**  trans-77.8101169.4-74.9169000110V10L8-V10 PolarHBondContact O-N 3.02Å
9S28.3Very low36.2Very low105 Ų105129.4 Ų129.473%0.73479%0.787SS**  trans-74108.2174.855.20000111.1P7 S11P7-S9 PolarHBondContact O-N 3.27Å; S9-S11 PolarHBondContact O-N 3.24Å
10V32.6Very low37.6Very low141 Ų141128.7 Ų128.786%0.85578%0.777SS**  trans-73.4110.5167.7179.30000108.4L8 S12L8-V10 PolarHBondContact O-N 3.02Å; V10-S12 PolarHBondContact O-N 3.41Å
11S29.2Very low38.8Very low102 Ų102128.2 Ų128.271%0.71377%0.77SS**  trans-67.7116.8-178.8-58.80000111.7S9 N13S9-S11 PolarHBondContact O-N 3.24Å; S11-N13 PolarHBondContact O-N 3.28Å
12S31.8Very low40.6Very low110 Ų110121.5 Ų121.577%0.76974%0.738SS**  trans-77.2102.9174.857.10000111.3V10 A14V10-S12 PolarHBondContact O-N 3.41Å; S12-A14 PolarHBondContact O-N 3.29Å
13N30.2Very low42.9Very low154 Ų154115.1 Ų115.182%0.82473%0.728SS**  trans-70.496.7167.1-84.3-3000109.8S11 S15S11-N13 PolarHBondContact O-N 3.28Å; N13-S15 PolarHBondContact O-N 3.26Å
14A42.3Very low45.2Very low105 Ų105114.6 Ų114.687%0.86873%0.728SS**  trans-83.1101.9170.100000109.8S12S12-A14 PolarHBondContact O-N 3.29Å
15S39.3Very low46.6Very low97 Ų97116.9 Ų116.968%0.67872%0.722SS**  trans-137.7104.9176.3570000111.3N13N13-S15 PolarHBondContact O-N 3.26Å
16N43.2Very low48.2Very low158 Ų158116.6 Ų116.685%0.84571%0.709SS**  trans35.185.2165.8-613.3000116.8D18N16-D18 VanDerWaalsContact C-N 3.32Å; N16-D18 PolarHBondContact O-N 3.47Å
17N54.7Low49.8Very low123 Ų123119 Ų11966%0.65870%0.698SS**  trans-9149.6-176.5-162.5-4.5000113G19N17-G19 PolarHBondContact O-N 2.97Å
18D54.5Low51.1Low156 Ų156117 Ų11783%0.83469%0.687SS**  trans-81.199.5178.1-76.9-37000110.8N16N16-D18 VanDerWaalsContact C-N 3.32Å; N16-D18 PolarHBondContact O-N 3.47Å
19G61.5Low52.5Low14 Ų14114 Ų11414%0.14467%0.668CS.*  trans-64.6156.3-178.900000114.5N17 L21 Y27N17-G19 PolarHBondContact O-N 2.97Å; G19-L21 PolarHBondContact O-N 3.29Å; G19-L21 VanDerWaalsContact O-N 3.15Å; G19-Y27 CarbonylContact C-O 3.57Å; G19-Y27 WeakPolarHBondContact CA-O 3.26Å
20I65.7Low53.8Low116 Ų116114.8 Ų114.860%0.59567%0.668SS**EExtended strand (participates in β ladder)trans-66.7110.8-178.1-54.2174.3000110I22 Y27I20-I22 HydrophobicContact CG2-CD1 4.33Å; I20-I22 HydrophobicContact CG2-CG1 3.96Å; I20-I22 PolarHBondContact O-N 2.98Å; I20-Y27 PolarHBondContact N-O 3.03Å; I20-Y27 WeakPolarHBondContact O-CB 3.36Å; I20-Y27 PolarHBondContact O-N 3.33Å
21L62.8Low55Low119 Ų119116.3 Ų116.362%0.62366%0.66SS**EExtended strand (participates in β ladder)trans-70.2120.3171.7-90155.2000111.2G19 G23 K25 V26G19-L21 PolarHBondContact O-N 3.29Å; G19-L21 VanDerWaalsContact O-N 3.15Å; L21-G23 WeakPolarHBondContact CD2-O 3.36Å; L21-K25 WeakPolarHBondContact CA-O 3.49Å; L21-V26 HydrophobicContact CD2-CG2 3.83Å; L21-V26 HydrophobicContact CG-CG2 3.99Å
22I72Confident56.4Low109 Ų109118 Ų11856%0.55966%0.66SS**  trans-125.393.2173.9-52.3179000108.2I20 K25 Y27I20-I22 HydrophobicContact CG2-CD1 4.33Å; I20-I22 HydrophobicContact CG2-CG1 3.96Å; I20-I22 PolarHBondContact O-N 2.98Å; I22-K25 PolarHBondContact N-O 3.38Å; I22-Y27 HydrophobicContact CB-CD2 3.83Å; I22-Y27 HydrophobicContact CB-CE2 3.76Å; I22-Y27 HydrophobicContact CD1-CD2 4.04Å; I22-Y27 HydrophobicContact CD1-CE2 4.41Å; I22-Y27 HydrophobicContact CD1-CG 4.42Å; I22-Y27 HydrophobicContact CG1-CD2 3.93Å; I22-Y27 HydrophobicContact CG1-CE2 4.32Å
23G77.1Confident57.8Low61 Ų61117 Ų11763%0.62965%0.649SS**SBendtrans66.1-147.2-162.800000110.6L21 K25L21-G23 WeakPolarHBondContact CD2-O 3.36Å; G23-K25 PolarHBondContact O-N 3.2Å
24D75.4Confident59.5Low172 Ų172115.5 Ų115.592%0.9264%0.64SS**SBendtrans-73.122.1-175.7-36.4-42.6000114
25K57.6Low60.7Low137 Ų137115.2 Ų115.260%0.59662%0.624SS**  trans-136.7121.3-171.7-66.1-167.2178.4-166.20112.1L21 I22 G23 Y27L21-K25 WeakPolarHBondContact CA-O 3.49Å; I22-K25 PolarHBondContact N-O 3.38Å; G23-K25 PolarHBondContact O-N 3.2Å; K25-Y27 HydrophobicContact CB-CD2 4.28Å; K25-Y27 HydrophobicContact CB-CE2 3.7Å; K25-Y27 VanDerWaalsContact O-CD2 3.3Å; K25-Y27 WeakPolarHBondContact O-CD2 3.48Å
26V63.9Low62.3Low97 Ų97111.2 Ų111.259%0.58860%0.595SS**EExtended strand (participates in β ladder)trans-72.3122.6167.4-174.50000108.4L21L21-V26 HydrophobicContact CD2-CG2 3.83Å; L21-V26 HydrophobicContact CG-CG2 3.99Å
27Y60.7Low63.9Low119 Ų119106.5 Ų106.547%0.46757%0.574SS.*EExtended strand (participates in β ladder)trans-106.1104.2169.5-70.5-99.6000108.4G19 I20 I22 K25G19-Y27 CarbonylContact C-O 3.57Å; G19-Y27 WeakPolarHBondContact CA-O 3.26Å; I20-Y27 PolarHBondContact N-O 3.03Å; I20-Y27 WeakPolarHBondContact O-CB 3.36Å; I20-Y27 PolarHBondContact O-N 3.33Å; I22-Y27 HydrophobicContact CB-CD2 3.83Å; I22-Y27 HydrophobicContact CB-CE2 3.76Å; I22-Y27 HydrophobicContact CD1-CD2 4.04Å; I22-Y27 HydrophobicContact CD1-CE2 4.41Å; I22-Y27 HydrophobicContact CD1-CG 4.42Å; I22-Y27 HydrophobicContact CG1-CD2 3.93Å; I22-Y27 HydrophobicContact CG1-CE2 4.32Å; K25-Y27 HydrophobicContact CB-CD2 4.28Å; K25-Y27 HydrophobicContact CB-CE2 3.7Å; K25-Y27 VanDerWaalsContact O-CD2 3.3Å; K25-Y27 WeakPolarHBondContact O-CD2 3.48Å
28S62.2Low65.2Low86 Ų86102.9 Ų102.960%0.60156%0.556SS**  trans-58.5160.3167.649.20000111.1
29E57.3Low66.6Low113 Ų11396.3 Ų96.353%0.52852%0.521SS..  trans-52.3140.5-170-55.417711200113.4Y31E29-Y31 HydrophobicContact CB-CD2 4.07Å; E29-Y31 HydrophobicContact CB-CE2 3.65Å; E29-Y31 HydrophobicContact CG-CE2 4.46Å; E29-Y31 WeakPolarHBondContact O-CD2 3.42Å; E29-Y31 PolarHBondContact O-N 2.9Å; E29-Y31 WeakPolarHBondContact OE2-CE2 3.43Å; E29-Y31 VanDerWaalsContact OE2-CZ 3.29Å; E29-Y31 PolarHBondContact OE2-OH 3.36Å
30V56.3Low67.6Low121 Ų12199.3 Ų99.373%0.73354%0.538SS*.  trans-84.580.4-176.7-172.20000110.2L32V30-L32 HydrophobicContact CG1-CD2 4.12Å; V30-L32 HydrophobicContact CG1-CG 4.21Å; V30-L32 PolarHBondContact O-N 2.75Å
31Y56.7Low68.3Low173 Ų173100.3 Ų100.368%0.67854%0.54SS*.  trans-65.992.8173.2-74.1-85.7000111.5E29 T33E29-Y31 HydrophobicContact CB-CD2 4.07Å; E29-Y31 HydrophobicContact CB-CE2 3.65Å; E29-Y31 HydrophobicContact CG-CE2 4.46Å; E29-Y31 WeakPolarHBondContact O-CD2 3.42Å; E29-Y31 PolarHBondContact O-N 2.9Å; E29-Y31 WeakPolarHBondContact OE2-CE2 3.43Å; E29-Y31 VanDerWaalsContact OE2-CZ 3.29Å; E29-Y31 PolarHBondContact OE2-OH 3.36Å; Y31-T33 VanDerWaalsContact C-N 3.29Å; Y31-T33 PolarHBondContact O-N 3.2Å
32L58.7Low69.1Low139 Ų139102.7 Ų102.773%0.72855%0.548SS*.  trans-80.269.8172.3-67.1178.2000111.2V30V30-L32 HydrophobicContact CG1-CD2 4.12Å; V30-L32 HydrophobicContact CG1-CG 4.21Å; V30-L32 PolarHBondContact O-N 2.75Å
33T62Low69.5Low87 Ų87105.7 Ų105.753%0.53455%0.552SS.*  trans-76.7152.8170.584.40000111Y31 D35Y31-T33 VanDerWaalsContact C-N 3.29Å; Y31-T33 PolarHBondContact O-N 3.2Å; T33-D35 WeakPolarHBondContact CB-OD2 3.45Å; T33-D35 PolarHBondContact O-N 2.61Å; T33-D35 WeakPolarHBondContact OG1-CB 3.45Å; T33-D35 PolarHBondContact OG1-N 3.1Å; T33-D35 PolarHBondContact OG1-OD2 3.43Å
34I64.8Low69.9Low124 Ų124103.8 Ų103.864%0.63653%0.528SS*.  trans-88.227179.1-48.4167.4000109.6K179I34-K179 WeakPolarHBondContact O-CE 3.43Å; I34-K179 PolarHBondContact O-NZ 3.34Å
35D67.9Low70.4Confident99 Ų9999.4 Ų99.453%0.52951%0.511SS..  trans-83.9156.3-173.3-63.8-48.6000113.3T33 S37 K179T33-D35 WeakPolarHBondContact CB-OD2 3.45Å; T33-D35 PolarHBondContact O-N 2.61Å; T33-D35 WeakPolarHBondContact OG1-CB 3.45Å; T33-D35 PolarHBondContact OG1-N 3.1Å; T33-D35 PolarHBondContact OG1-OD2 3.43Å; D35-S37 PolarHBondContact O-N 3.15Å; D35-K179 IonicContact OD1-NZ 3.24Å; D35-K179 PolarHBondContact OD1-NZ 3.21Å; D35-K179 VanDerWaalsContact OD1-NZ 3.1Å
36N73.9Confident71.9Confident12 Ų1296.4 Ų96.46%0.06451%0.505CS..  trans-75.5104.7-178.4-178.852.9000109.2V38 R93 K179 Q221N36-V38 PolarHBondContact O-N 3.36Å; N36-R93 PolarHBondContact OD1-NH2 3.16Å; N36-K179 HydrophobicContact CB-CB 4.38Å; N36-K179 HydrophobicContact CB-CD 4.31Å; N36-K179 HydrophobicContact CB-CG 4.44Å; N36-Q221 PolarHBondContact ND2-OE1 3.22Å
37S75.9Confident73.3Confident59 Ų5991.9 Ų91.941%0.41348%0.478SS..  trans-63101.5177.4-179.20000110.9D35 R93D35-S37 PolarHBondContact O-N 3.15Å; S37-R93 PolarHBondContact O-NE 3.06Å; S37-R93 VanDerWaalsContact O-NE 3.1Å; S37-R93 PolarHBondContact O-NH2 2.81Å
38V83.4Confident74.8Confident47 Ų4787.7 Ų87.729%0.28547%0.465SS..PPolyproline II helixtrans-84.1149.2166.1169.70000108.9N36 R219N36-V38 PolarHBondContact O-N 3.36Å; V38-R219 WeakPolarHBondContact CG1-O 3.33Å
39I83.3Confident76.3Confident19 Ų1983.6 Ų83.610%0.09744%0.436CS..PPolyproline II helixtrans-93.7124.7179.4-60-177.7000108.7R43 L44 Y96 V218I39-R43 HydrophobicContact CG2-CB 3.82Å; I39-L44 HydrophobicContact CB-CD2 4.27Å; I39-L44 HydrophobicContact CG2-CD2 4.08Å; I39-Y96 VanDerWaalsContact CD1-CB 3.43Å; I39-Y96 HydrophobicContact CD1-CD2 3.83Å; I39-Y96 HydrophobicContact CD1-CG 3.79Å; I39-V218 WeakPolarHBondContact CB-O 3.34Å; I39-V218 HydrophobicContact CD1-CB 3.78Å; I39-V218 HydrophobicContact CD1-CG1 4.36Å; I39-V218 HydrophobicContact CD1-CG2 4.02Å; I39-V218 HydrophobicContact CG1-CB 4.06Å; I39-V218 PolarHBondContact N-O 2.9Å
40P81.4Confident78.1Confident76 Ų7681.5 Ų81.549%0.49443%0.427SS..PPolyproline II helixtrans-55.4143176.2-26.334.7000112.1E42 R43P40-E42 PolarHBondContact O-N 3.05Å; P40-R43 PolarHBondContact O-N 3.06Å
41E80.2Confident79.8Confident137 Ų13781.7 Ų81.764%0.6442%0.424SS*.G310 helixtrans-60.4-34.5-170.8-58.9-153.5118.900113.2R43 L44 R219E41-R43 PolarHBondContact O-N 3.32Å; E41-L44 HydrophobicContact CB-CD1 4.24Å; E41-L44 HydrophobicContact CG-CD1 4.24Å; E41-L44 VanDerWaalsContact O-CB 3.32Å; E41-L44 WeakPolarHBondContact O-CB 3.46Å; E41-L44 PolarHBondContact O-N 3.37Å; E41-R219 IonicContact OE1-NH2 3.25Å; E41-R219 PolarHBondContact OE1-NH2 3.41Å
42E81.3Confident81.6Confident170 Ų17074.5 Ų74.579%0.79440%0.397SS*.G310 helixtrans-50.3-26.8170.6-58.2173.5178.700114.3P40P40-E42 PolarHBondContact O-N 3.05Å
43R80.8Confident83.1Confident171 Ų17169.8 Ų69.865%0.64538%0.382SS*.G310 helixtrans-100.7-0.3-179.9-64.6-168.8179.6-176.44.1113.7I39 P40 E41I39-R43 HydrophobicContact CG2-CB 3.82Å; P40-R43 PolarHBondContact O-N 3.06Å; E41-R43 PolarHBondContact O-N 3.32Å
44L84.2Confident84.6Confident22 Ų2265.8 Ų65.812%0.11536%0.357CS..THydrogen-bonded Turntrans-78.7-29.8170.5-56.9175000111.3I39 E41 T47 Y96 R219I39-L44 HydrophobicContact CB-CD2 4.27Å; I39-L44 HydrophobicContact CG2-CD2 4.08Å; E41-L44 HydrophobicContact CB-CD1 4.24Å; E41-L44 HydrophobicContact CG-CD1 4.24Å; E41-L44 VanDerWaalsContact O-CB 3.32Å; E41-L44 WeakPolarHBondContact O-CB 3.46Å; E41-L44 PolarHBondContact O-N 3.37Å; L44-T47 WeakPolarHBondContact O-CG2 3.35Å; L44-Y96 HydrophobicContact CD2-CD1 4.32Å; L44-Y96 HydrophobicContact CD2-CE1 3.97Å; L44-R219 HydrophobicContact CD1-CG 3.72Å; L44-R219 VanDerWaalsContact CD1-NE 3.33Å; L44-R219 HydrophobicContact CD2-CG 3.85Å; L44-R219 HydrophobicContact CG-CG 4.46Å
45S86.7Confident85.9Confident80 Ų8062.9 Ų62.956%0.55934%0.343SS*.SBendtrans-153.3130.4176.1560000112.1
46P88.2Confident87Confident74 Ų7462.9 Ų62.948%0.48134%0.342SS..SBendcis-75.6138-2.131.2-34.8000112.1M50 L51P46-M50 HydrophobicContact CB-CB 4.42Å; P46-L51 HydrophobicContact CB-CD2 4.15Å; P46-L51 HydrophobicContact CB-CG 4.31Å; P46-L51 HydrophobicContact CG-CD2 3.98Å; P46-L51 HydrophobicContact CG-CG 4.36Å
47T93.1Very high87.9Confident1 Ų166.8 Ų66.81%0.00636%0.363CS..  trans-70.2160.1176.2750000111.3L44 S49 M50 L51 E59 Y96L44-T47 WeakPolarHBondContact O-CG2 3.35Å; T47-S49 PolarHBondContact O-N 3.47Å; T47-S49 VanDerWaalsContact O-N 3.11Å; T47-S49 PolarHBondContact OG1-N 2.84Å; T47-M50 HydrophobicContact CG2-SD 4.02Å; T47-M50 PolarHBondContact O-N 3.16Å; T47-M50 VanDerWaalsContact O-N 3.13Å; T47-M50 WeakPolarHBondContact OG1-CG 3.43Å; T47-M50 PolarHBondContact OG1-N 2.89Å; T47-L51 WeakPolarHBondContact O-CG 3.41Å; T47-L51 PolarHBondContact O-N 3.35Å; T47-E59 WeakPolarHBondContact CB-OE2 3.3Å; T47-E59 WeakPolarHBondContact CG2-OE2 3.45Å; T47-E59 PolarHBondContact OG1-OE1 2.93Å; T47-E59 PolarHBondContact OG1-OE2 3.05Å; T47-Y96 HydrophobicContact CG2-CD1 4.44Å; T47-Y96 HydrophobicContact CG2-CE1 4.11Å
48P93.6Very high88.7Confident31 Ų3165 Ų6520%0.20135%0.349CS..THydrogen-bonded Turntrans-58.3-23170.3-26.536.6000114.2D52 Y96 S99P48-D52 PolarHBondContact O-N 3.41Å; P48-Y96 VanDerWaalsContact CD-O 3.28Å; P48-Y96 WeakPolarHBondContact CD-O 3.25Å; P48-Y96 VanDerWaalsContact CG-O 3.23Å; P48-Y96 WeakPolarHBondContact CG-O 3.29Å; P48-S99 WeakPolarHBondContact O-CB 3.39Å
49S93.8Very high89.2Confident0 Ų062.8 Ų62.80%034%0.336CS..THydrogen-bonded Turntrans-79.6-39.8176.2-45.80000111.5T47 L51 D52 G53 L54 E59 F100T47-S49 PolarHBondContact O-N 3.47Å; T47-S49 VanDerWaalsContact O-N 3.11Å; T47-S49 PolarHBondContact OG1-N 2.84Å; S49-L51 VanDerWaalsContact C-N 3.31Å; S49-L51 PolarHBondContact O-N 3.33Å; S49-D52 CarbonylContact O-C 3.6Å; S49-D52 WeakPolarHBondContact O-CA 3.47Å; S49-D52 PolarHBondContact O-N 3.01Å; S49-G53 PolarHBondContact O-N 2.84Å; S49-L54 VanDerWaalsContact O-CB 3.28Å; S49-L54 WeakPolarHBondContact O-CB 3.43Å; S49-L54 PolarHBondContact O-N 3.27Å; S49-E59 WeakPolarHBondContact CB-OE2 3.35Å; S49-E59 PolarHBondContact OG-OE1 3.11Å; S49-E59 VanDerWaalsContact OG-OE1 3.11Å; S49-F100 WeakPolarHBondContact OG-CD2 3.34Å; S49-F100 PolarHBondContact OG-N 3.07Å
50M93.7Very high89.7Confident69 Ų6963.9 Ų63.934%0.3434%0.344SS..G310 helixtrans-62.3-38172.1-68.8170.268.700111.9P46 T47 D52 G53 L54 L56P46-M50 HydrophobicContact CB-CB 4.42Å; T47-M50 HydrophobicContact CG2-SD 4.02Å; T47-M50 PolarHBondContact O-N 3.16Å; T47-M50 VanDerWaalsContact O-N 3.13Å; T47-M50 WeakPolarHBondContact OG1-CG 3.43Å; T47-M50 PolarHBondContact OG1-N 2.89Å; M50-D52 PolarHBondContact O-N 3.49Å; M50-G53 WeakPolarHBondContact O-CA 3.45Å; M50-G53 PolarHBondContact O-N 3.06Å; M50-L54 WeakPolarHBondContact CA-O 3.15Å; M50-L56 HydrophobicContact SD-CD1 4.26Å
51L93Very high90.3Very high125 Ų12561.5 Ų61.565%0.65433%0.327SS*.G310 helixtrans-66.4-19.9172.8-65.4175.5000113.5P46 T47 S49 G53P46-L51 HydrophobicContact CB-CD2 4.15Å; P46-L51 HydrophobicContact CB-CG 4.31Å; P46-L51 HydrophobicContact CG-CD2 3.98Å; P46-L51 HydrophobicContact CG-CG 4.36Å; T47-L51 WeakPolarHBondContact O-CG 3.41Å; T47-L51 PolarHBondContact O-N 3.35Å; S49-L51 VanDerWaalsContact C-N 3.31Å; S49-L51 PolarHBondContact O-N 3.33Å; L51-G53 VanDerWaalsContact C-N 3.31Å
52D92.9Very high91Very high23 Ų2355 Ų5512%0.12330%0.297CS..G310 helixtrans-94.314.5168.2-71-25.2000112.8P48 S49 M50 S99 V101 K102 L290P48-D52 PolarHBondContact O-N 3.41Å; S49-D52 CarbonylContact O-C 3.6Å; S49-D52 WeakPolarHBondContact O-CA 3.47Å; S49-D52 PolarHBondContact O-N 3.01Å; M50-D52 PolarHBondContact O-N 3.49Å; D52-S99 WeakPolarHBondContact OD2-CB 3.36Å; D52-S99 PolarHBondContact OD2-OG 3.1Å; D52-V101 HydrophobicContact CB-CB 3.95Å; D52-V101 HydrophobicContact CB-CG1 4.44Å; D52-V101 HydrophobicContact CB-CG2 3.87Å; D52-K102 VanDerWaalsContact OD1-CE 3.26Å; D52-K102 WeakPolarHBondContact OD1-CE 3.43Å; D52-K102 IonicContact OD1-NZ 3.25Å; D52-K102 PolarHBondContact OD1-NZ 3.48Å; D52-K102 VanDerWaalsContact OD2-CD 3.29Å; D52-K102 WeakPolarHBondContact OD2-CD 3.37Å; D52-K102 WeakPolarHBondContact OD2-CE 3.44Å; D52-K102 WeakPolarHBondContact OD2-CG 2.96Å; D52-K102 IonicContact OD2-NZ 3.84Å; D52-K102 PolarHBondContact OD2-NZ 3.39Å; D52-L290 HydrophobicContact CB-CD1 3.63Å; D52-L290 WeakPolarHBondContact OD1-CD1 3.45Å
53G90.9Very high91.7Very high39 Ų3947.4 Ų47.440%0.40226%0.261SS..THydrogen-bonded Turntrans83.22.6174.900000115.7S49 M50 L51 R286S49-G53 PolarHBondContact O-N 2.84Å; M50-G53 WeakPolarHBondContact O-CA 3.45Å; M50-G53 PolarHBondContact O-N 3.06Å; L51-G53 VanDerWaalsContact C-N 3.31Å; G53-R286 PolarHBondContact O-NE 2.97Å; G53-R286 VanDerWaalsContact O-NE 3.16Å; G53-R286 PolarHBondContact O-NH1 3.08Å; G53-R286 PolarHBondContact O-NH2 3.32Å
54L92.9Very high92.4Very high4 Ų439.9 Ų39.92%0.02123%0.233CC..  trans-71.8139.6178.1-159.369.1000110.9S49 M50 T58 E59 L62 F100 V101 V283 R286S49-L54 VanDerWaalsContact O-CB 3.28Å; S49-L54 WeakPolarHBondContact O-CB 3.43Å; S49-L54 PolarHBondContact O-N 3.27Å; M50-L54 WeakPolarHBondContact CA-O 3.15Å; L54-T58 HydrophobicContact CD1-CG2 3.72Å; L54-T58 HydrophobicContact CD2-CG2 4.33Å; L54-T58 HydrophobicContact CG-CG2 4.05Å; L54-E59 HydrophobicContact CD2-CB 4.23Å; L54-L62 HydrophobicContact CD2-CD1 3.89Å; L54-F100 HydrophobicContact CD2-CB 4.01Å; L54-V101 HydrophobicContact CB-CG2 4.19Å; L54-V101 HydrophobicContact CD1-CG2 4.41Å; L54-V283 HydrophobicContact CD1-CG2 4.44Å; L54-R286 HydrophobicContact CD1-CG 4.19Å
55D93.2Very high92.8Very high62 Ų6239.3 Ų39.333%0.33223%0.23SC..  trans-80.2154.6177.871-83.6000112.3N57 T58 E59D55-N57 VanDerWaalsContact C-N 3.27Å; D55-N57 PolarHBondContact O-N 3Å; D55-N57 WeakPolarHBondContact OD2-CB 3.33Å; D55-N57 PolarHBondContact OD2-N 3.23Å; D55-N57 VanDerWaalsContact OD2-N 3.09Å; D55-T58 VanDerWaalsContact CG-OG1 3.27Å; D55-T58 PolarHBondContact O-N 2.96Å; D55-T58 WeakPolarHBondContact OD1-CB 3.3Å; D55-T58 PolarHBondContact OD1-OG1 3.49Å; D55-T58 PolarHBondContact OD2-N 2.7Å; D55-T58 PolarHBondContact OD2-OG1 3.39Å; D55-E59 PolarHBondContact O-N 3.06Å
56L91.1Very high93.3Very high99 Ų9935.5 Ų35.552%0.51820%0.204SC..Hα-helixtrans-64.1-27.7-175.3-177.361.8000113.4M50 T60M50-L56 HydrophobicContact SD-CD1 4.26Å; L56-T60 VanDerWaalsContact O-CB 3.3Å; L56-T60 WeakPolarHBondContact O-CB 3.41Å; L56-T60 PolarHBondContact O-N 3.18Å; L56-T60 PolarHBondContact O-OG1 3Å
57N92Very high93.6Very high95 Ų9532 Ų3251%0.50818%0.181SC..Hα-helixtrans-76.4-48.5178.7-83.7-54.8000111D55 E59 T60 D61 R271D55-N57 VanDerWaalsContact C-N 3.27Å; D55-N57 PolarHBondContact O-N 3Å; D55-N57 WeakPolarHBondContact OD2-CB 3.33Å; D55-N57 PolarHBondContact OD2-N 3.23Å; D55-N57 VanDerWaalsContact OD2-N 3.09Å; N57-E59 VanDerWaalsContact C-N 3.28Å; N57-E59 PolarHBondContact O-N 3.37Å; N57-T60 PolarHBondContact O-N 2.99Å; N57-T60 VanDerWaalsContact O-N 3.12Å; N57-D61 PolarHBondContact O-N 3.42Å; N57-R271 PolarHBondContact O-NH2 3.42Å; N57-R271 PolarHBondContact OD1-NH1 2.92Å; N57-R271 PolarHBondContact OD1-NH2 2.95Å
58T92.9Very high93.7Very high20 Ų2034.9 Ų34.912%0.12319%0.194CC..Hα-helixtrans-55.9-43.1172.1-63.90000111.1L54 D55 D61 L62 L279 E282L54-T58 HydrophobicContact CD1-CG2 3.72Å; L54-T58 HydrophobicContact CD2-CG2 4.33Å; L54-T58 HydrophobicContact CG-CG2 4.05Å; D55-T58 VanDerWaalsContact CG-OG1 3.27Å; D55-T58 PolarHBondContact O-N 2.96Å; D55-T58 WeakPolarHBondContact OD1-CB 3.3Å; D55-T58 PolarHBondContact OD1-OG1 3.49Å; D55-T58 PolarHBondContact OD2-N 2.7Å; D55-T58 PolarHBondContact OD2-OG1 3.39Å; T58-D61 PolarHBondContact O-N 3.43Å; T58-L62 HydrophobicContact CG2-CD1 4Å; T58-L62 WeakPolarHBondContact O-CB 3.48Å; T58-L62 WeakPolarHBondContact O-CD1 3.43Å; T58-L62 VanDerWaalsContact O-CG 3.23Å; T58-L62 WeakPolarHBondContact O-CG 3.46Å; T58-L62 PolarHBondContact O-N 3.06Å; T58-L279 HydrophobicContact CG2-CD2 3.82Å; T58-E282 HydrophobicContact CG2-CG 4.25Å
59E94.4Very high93.8Very high1 Ų133.8 Ų33.81%0.00519%0.187CC..Hα-helixtrans-63.4-44.5174.1178.5165-16100112.7T47 S49 L54 D55 N57 D61 L62 R63 F100T47-E59 WeakPolarHBondContact CB-OE2 3.3Å; T47-E59 WeakPolarHBondContact CG2-OE2 3.45Å; T47-E59 PolarHBondContact OG1-OE1 2.93Å; T47-E59 PolarHBondContact OG1-OE2 3.05Å; S49-E59 WeakPolarHBondContact CB-OE2 3.35Å; S49-E59 PolarHBondContact OG-OE1 3.11Å; S49-E59 VanDerWaalsContact OG-OE1 3.11Å; L54-E59 HydrophobicContact CD2-CB 4.23Å; D55-E59 PolarHBondContact O-N 3.06Å; N57-E59 VanDerWaalsContact C-N 3.28Å; N57-E59 PolarHBondContact O-N 3.37Å; E59-D61 VanDerWaalsContact C-N 3.31Å; E59-D61 PolarHBondContact O-N 3.49Å; E59-L62 PolarHBondContact O-N 3.22Å; E59-R63 WeakPolarHBondContact O-CG 3.36Å; E59-R63 PolarHBondContact O-N 3.23Å; E59-R63 IonicContact OE1-CZ 3.19Å; E59-R63 IonicContact OE1-NE 2.62Å; E59-R63 PolarHBondContact OE1-NE 3.39Å; E59-R63 IonicContact OE1-NH2 2.92Å; E59-R63 PolarHBondContact OE1-NH2 3.38Å; E59-F100 HydrophobicContact CG-CD2 3.96Å; E59-F100 HydrophobicContact CG-CE2 3.83Å
60T93.7Very high94Very high43 Ų4333.8 Ų33.826%0.26419%0.187SC..Hα-helixtrans-60.7-43177.9-61.90000111.1L56 N57 R63 I64L56-T60 VanDerWaalsContact O-CB 3.3Å; L56-T60 WeakPolarHBondContact O-CB 3.41Å; L56-T60 PolarHBondContact O-N 3.18Å; L56-T60 PolarHBondContact O-OG1 3Å; N57-T60 PolarHBondContact O-N 2.99Å; N57-T60 VanDerWaalsContact O-N 3.12Å; T60-R63 WeakPolarHBondContact O-CB 3.34Å; T60-R63 PolarHBondContact O-N 2.88Å; T60-I64 HydrophobicContact CG2-CD1 3.95Å; T60-I64 WeakPolarHBondContact O-CG1 3.36Å; T60-I64 PolarHBondContact O-N 3.45Å
61D94.3Very high94.1Very high26 Ų2632.5 Ų32.514%0.13918%0.18CC..Hα-helixtrans-70.3-35.4179.3-71.1-32.6000112.6N57 T58 E59 R63 L65 R271 P274 L279N57-D61 PolarHBondContact O-N 3.42Å; T58-D61 PolarHBondContact O-N 3.43Å; E59-D61 VanDerWaalsContact C-N 3.31Å; E59-D61 PolarHBondContact O-N 3.49Å; D61-R63 VanDerWaalsContact C-N 3.34Å; D61-L65 WeakPolarHBondContact O-CB 3.35Å; D61-L65 PolarHBondContact O-N 3Å; D61-R271 IonicContact OD1-CZ 2.79Å; D61-R271 VanDerWaalsContact OD1-CZ 3.24Å; D61-R271 IonicContact OD1-NE 3.49Å; D61-R271 PolarHBondContact OD1-NE 3.16Å; D61-R271 IonicContact OD1-NH2 3.56Å; D61-R271 PolarHBondContact OD1-NH2 3.28Å; D61-R271 IonicContact OD2-CZ 3.37Å; D61-R271 IonicContact OD2-NH2 3.18Å; D61-R271 PolarHBondContact OD2-NH2 2.61Å; D61-P274 HydrophobicContact CB-CB 3.9Å; D61-L279 HydrophobicContact CB-CD1 4Å; D61-L279 HydrophobicContact CB-CD2 4.15Å
62L95.1Very high94.3Very high0 Ų028.1 Ų28.10%016%0.162CC..Hα-helixtrans-64.3-35.9169.9-74.6163.8000112.5L54 T58 E59 G66 F100 F105 L279 V283L54-L62 HydrophobicContact CD2-CD1 3.89Å; T58-L62 HydrophobicContact CG2-CD1 4Å; T58-L62 WeakPolarHBondContact O-CB 3.48Å; T58-L62 WeakPolarHBondContact O-CD1 3.43Å; T58-L62 VanDerWaalsContact O-CG 3.23Å; T58-L62 WeakPolarHBondContact O-CG 3.46Å; T58-L62 PolarHBondContact O-N 3.06Å; E59-L62 PolarHBondContact O-N 3.22Å; L62-G66 PolarHBondContact O-N 3.39Å; L62-F100 HydrophobicContact CB-CD1 4.12Å; L62-F100 HydrophobicContact CB-CE1 3.92Å; L62-F100 HydrophobicContact CB-CE2 4.34Å; L62-F100 HydrophobicContact CB-CG 4.42Å; L62-F100 HydrophobicContact CB-CZ 4.04Å; L62-F100 HydrophobicContact CD1-CB 4.14Å; L62-F100 HydrophobicContact CD1-CD1 4.24Å; L62-F100 HydrophobicContact CD1-CD2 4.45Å; L62-F100 HydrophobicContact CD1-CG 4.04Å; L62-F105 HydrophobicContact CD2-CD1 3.92Å; L62-F105 HydrophobicContact CD2-CE1 3.74Å; L62-F105 HydrophobicContact CD2-CG 4.38Å; L62-F105 HydrophobicContact CD2-CZ 4.05Å; L62-L279 HydrophobicContact CD2-CB 4Å; L62-L279 HydrophobicContact CD2-CD1 4.42Å; L62-L279 HydrophobicContact CG-CB 4.44Å; L62-L279 HydrophobicContact CG-CD1 4.49Å; L62-V283 HydrophobicContact CD1-CG2 3.49Å; L62-V283 VanDerWaalsContact CD1-CG2 3.49Å; L62-V283 HydrophobicContact CD2-CG2 4.24Å; L62-V283 HydrophobicContact CG-CG2 4.49Å
63R95.3Very high94.5Very high11 Ų1127 Ų274%0.04216%0.156CC..Hα-helixtrans-66.8-48.5175.1-73.3170.9-178.5-89.64.5111.6E59 T60 D61 G66 C67 H92 F95 F100E59-R63 WeakPolarHBondContact O-CG 3.36Å; E59-R63 PolarHBondContact O-N 3.23Å; E59-R63 IonicContact OE1-CZ 3.19Å; E59-R63 IonicContact OE1-NE 2.62Å; E59-R63 PolarHBondContact OE1-NE 3.39Å; E59-R63 IonicContact OE1-NH2 2.92Å; E59-R63 PolarHBondContact OE1-NH2 3.38Å; T60-R63 WeakPolarHBondContact O-CB 3.34Å; T60-R63 PolarHBondContact O-N 2.88Å; D61-R63 VanDerWaalsContact C-N 3.34Å; R63-G66 PolarHBondContact O-N 3.45Å; R63-C67 PolarHBondContact O-N 3.18Å; R63-C67 PolarHBondContact O-SG 3.5Å; R63-H92 PolarHBondContact NH1-O 3.18Å; R63-F95 PolarHBondContact NH2-O 3.07Å; R63-F100 HydrophobicContact CG-CE2 3.78Å; R63-F100 HydrophobicContact CG-CZ 3.72Å
64I94.8Very high94.8Very high12 Ų1225.2 Ų25.26%0.06214%0.137CC..Hα-helixtrans-59.4-51.2176-67.1162.8000110.2T60 G66 C67 E68 R213 L268T60-I64 HydrophobicContact CG2-CD1 3.95Å; T60-I64 WeakPolarHBondContact O-CG1 3.36Å; T60-I64 PolarHBondContact O-N 3.45Å; I64-G66 VanDerWaalsContact C-N 3.35Å; I64-G66 PolarHBondContact O-N 3.36Å; I64-C67 WeakPolarHBondContact O-CB 3.39Å; I64-C67 PolarHBondContact O-N 2.9Å; I64-C67 VanDerWaalsContact O-N 3.08Å; I64-E68 PolarHBondContact O-N 3.43Å; I64-R213 HydrophobicContact CG2-CB 4.5Å; I64-L268 HydrophobicContact CD1-CD1 3.79Å; I64-L268 HydrophobicContact CG1-CD1 3.96Å; I64-L268 HydrophobicContact CG2-CD1 4.22Å
65L93.8Very high95Very high11 Ų1129.9 Ų29.96%0.05816%0.161CC..Hα-helixtrans-59.9-40.4179.2175.663.4000112.8D61 C67 E68 L69 F105 Y276 L279D61-L65 WeakPolarHBondContact O-CB 3.35Å; D61-L65 PolarHBondContact O-N 3Å; L65-C67 VanDerWaalsContact C-N 3.33Å; L65-E68 PolarHBondContact O-N 2.93Å; L65-L69 HydrophobicContact CG-CD1 4.46Å; L65-L69 WeakPolarHBondContact O-CG 3.25Å; L65-L69 PolarHBondContact O-N 3Å; L65-F105 HydrophobicContact CD2-CE2 3.75Å; L65-F105 HydrophobicContact CD2-CZ 3.8Å; L65-F105 HydrophobicContact CG-CE2 3.99Å; L65-Y276 HydrophobicContact CD1-CD2 4.31Å; L65-Y276 HydrophobicContact CD2-CD2 3.76Å; L65-Y276 HydrophobicContact CD2-CE2 4.32Å; L65-Y276 HydrophobicContact CG-CD2 4.47Å; L65-L279 HydrophobicContact CD2-CD1 3.9Å
66G95.7Very high95.2Very high0 Ų030.8 Ų30.80%017%0.165CC..Hα-helixtrans-61.2-41.9173.200000112.4L62 R63 I64 L69 I70L62-G66 PolarHBondContact O-N 3.39Å; R63-G66 PolarHBondContact O-N 3.45Å; I64-G66 VanDerWaalsContact C-N 3.35Å; I64-G66 PolarHBondContact O-N 3.36Å; G66-L69 PolarHBondContact O-N 3.04Å; G66-I70 WeakPolarHBondContact O-CG1 3.43Å; G66-I70 PolarHBondContact O-N 2.59Å
67C96.4Very high95.4Very high0 Ų026.8 Ų26.80%014%0.144CC..Hα-helixtrans-69.4-37.1176.7-63.50000112.8R63 I64 L65 I70 Q71 Q88 H92 R213R63-C67 PolarHBondContact O-N 3.18Å; R63-C67 PolarHBondContact O-SG 3.5Å; I64-C67 WeakPolarHBondContact O-CB 3.39Å; I64-C67 PolarHBondContact O-N 2.9Å; I64-C67 VanDerWaalsContact O-N 3.08Å; L65-C67 VanDerWaalsContact C-N 3.33Å; C67-I70 PolarHBondContact O-N 3.05Å; C67-Q71 PolarHBondContact O-N 2.9Å; C67-Q88 HydrophobicContact CB-CG 3.92Å; C67-Q88 PolarHBondContact O-NE2 2.87Å; C67-H92 PolarHBondContact SG-NE2 2.77Å; C67-R213 HydrophobicContact CB-CB 4.35Å; C67-R213 HydrophobicContact CB-CG 4.18Å
68E94.5Very high95.7Very high62 Ų6232.6 Ų32.629%0.2916%0.159SC..Hα-helixtrans-61.1-45171.1-72.9-172.7177.800111.6I64 L65 I70 Q71 A72I64-E68 PolarHBondContact O-N 3.43Å; L65-E68 PolarHBondContact O-N 2.93Å; E68-I70 PolarHBondContact O-N 2.92Å; E68-Q71 PolarHBondContact O-N 3.08Å; E68-A72 VanDerWaalsContact O-CB 3.31Å; E68-A72 WeakPolarHBondContact O-CB 3.47Å; E68-A72 PolarHBondContact O-N 2.93Å
69L95.3Very high95.9Very high8 Ų832.2 Ų32.24%0.04216%0.156CC..Hα-helixtrans-64-38.8177.7-71.7172.4000112.2L65 G66 A73 F105 E106 F133L65-L69 HydrophobicContact CG-CD1 4.46Å; L65-L69 WeakPolarHBondContact O-CG 3.25Å; L65-L69 PolarHBondContact O-N 3Å; G66-L69 PolarHBondContact O-N 3.04Å; L69-A73 WeakPolarHBondContact O-CB 3.29Å; L69-A73 PolarHBondContact O-N 3.47Å; L69-F105 HydrophobicContact CD1-CD2 4.41Å; L69-F105 HydrophobicContact CD1-CE2 3.9Å; L69-E106 HydrophobicContact CD1-CG 4.34Å; L69-F133 HydrophobicContact CB-CE1 4.22Å
70I97.7Very high96Very high0 Ų034.9 Ų34.90%017%0.174CC..Hα-helixtrans-65.1-45.3175.5-68.9166000110.9G66 C67 E68 A73 G74 Q88 F91 A109 C112 I113G66-I70 WeakPolarHBondContact O-CG1 3.43Å; G66-I70 PolarHBondContact O-N 2.59Å; C67-I70 PolarHBondContact O-N 3.05Å; E68-I70 PolarHBondContact O-N 2.92Å; I70-A73 PolarHBondContact O-N 3.3Å; I70-G74 PolarHBondContact O-N 3.45Å; I70-Q88 HydrophobicContact CB-CG 4.15Å; I70-Q88 HydrophobicContact CG2-CG 3.93Å; I70-F91 HydrophobicContact CD1-CB 3.71Å; I70-F91 HydrophobicContact CD1-CD2 3.86Å; I70-F91 HydrophobicContact CD1-CG 3.87Å; I70-A109 HydrophobicContact CD1-CB 4.27Å; I70-A109 HydrophobicContact CG1-CB 3.94Å; I70-C112 HydrophobicContact CD1-CB 4.38Å; I70-I113 HydrophobicContact CG2-CB 4.42Å; I70-I113 HydrophobicContact CG2-CD1 4.24Å; I70-I113 HydrophobicContact CG2-CG1 4.37Å; I70-I113 WeakPolarHBondContact O-CD1 3.3Å
71Q96.7Very high96Very high41 Ų4135.3 Ų35.319%0.19217%0.173CC..Hα-helixtrans-63.3-48.5177-174.370.722.300111.4C67 E68 A73 G74 I75 M84C67-Q71 PolarHBondContact O-N 2.9Å; E68-Q71 PolarHBondContact O-N 3.08Å; Q71-A73 VanDerWaalsContact C-N 3.34Å; Q71-A73 PolarHBondContact O-N 3.12Å; Q71-G74 PolarHBondContact O-N 3.15Å; Q71-I75 HydrophobicContact CG-CD1 4.12Å; Q71-I75 WeakPolarHBondContact O-CG1 3.34Å; Q71-I75 PolarHBondContact O-N 2.83Å; Q71-M84 VanDerWaalsContact O-SD 3.37Å
72A96.4Very high96Very high34 Ų3436.8 Ų36.828%0.28118%0.183SC..Hα-helixtrans-62.6-40.8179.700000112E68 L76 L136E68-A72 VanDerWaalsContact O-CB 3.31Å; E68-A72 WeakPolarHBondContact O-CB 3.47Å; E68-A72 PolarHBondContact O-N 2.93Å; A72-L76 WeakPolarHBondContact O-CG 3.4Å; A72-L76 PolarHBondContact O-N 3.19Å; A72-L136 HydrophobicContact CB-CD1 4.22Å; A72-L136 HydrophobicContact CB-CD2 3.91Å
73A97.3Very high96.1Very high0 Ų036.8 Ų36.80%018%0.183CC..Hα-helixtrans-67.7-39.8175.800000112.2L69 I70 Q71 L76 L77 I113 V132 F133 L136L69-A73 WeakPolarHBondContact O-CB 3.29Å; L69-A73 PolarHBondContact O-N 3.47Å; I70-A73 PolarHBondContact O-N 3.3Å; Q71-A73 VanDerWaalsContact C-N 3.34Å; Q71-A73 PolarHBondContact O-N 3.12Å; A73-L76 PolarHBondContact O-N 3.4Å; A73-L77 VanDerWaalsContact O-CB 3.32Å; A73-L77 WeakPolarHBondContact O-CB 3.43Å; A73-L77 WeakPolarHBondContact O-CG 3.15Å; A73-L77 PolarHBondContact O-N 2.91Å; A73-I113 HydrophobicContact CB-CD1 3.82Å; A73-V132 HydrophobicContact CB-CG1 3.72Å; A73-F133 HydrophobicContact CB-CD2 3.92Å; A73-F133 HydrophobicContact CB-CE2 3.34Å; A73-F133 HydrophobicContact CB-CZ 4.02Å; A73-L136 HydrophobicContact CB-CD1 3.9Å
74G97.4Very high96.1Very high0 Ų036.7 Ų36.70%018%0.183CC..Hα-helixtrans-67.4-36.7179.700000113.4I70 Q71 L77 R78 L79 M84I70-G74 PolarHBondContact O-N 3.45Å; Q71-G74 PolarHBondContact O-N 3.15Å; G74-L77 CarbonylContact O-C 3.4Å; G74-L77 PolarHBondContact O-N 3.39Å; G74-R78 PolarHBondContact O-N 2.93Å; G74-L79 PolarHBondContact O-N 3.25Å; G74-M84 WeakPolarHBondContact CA-SD 3.44Å
75I96.9Very high96.2Very high102 Ų10236.1 Ų36.152%0.52318%0.18SC..Hα-helixtrans-59.9-49.2171-68.3164.7000110.2Q71 L77 R78 M84Q71-I75 HydrophobicContact CG-CD1 4.12Å; Q71-I75 WeakPolarHBondContact O-CG1 3.34Å; Q71-I75 PolarHBondContact O-N 2.83Å; I75-L77 VanDerWaalsContact C-N 3.34Å; I75-L77 PolarHBondContact O-N 2.77Å; I75-R78 PolarHBondContact O-N 2.95Å; I75-R78 VanDerWaalsContact O-N 3.07Å; I75-M84 HydrophobicContact CG1-CE 4.25Å; I75-M84 HydrophobicContact CG1-SD 4.07Å; I75-M84 PolarHBondContact N-SD 2.87Å
76L96.6Very high96.3Very high82 Ų8235.6 Ų35.643%0.42918%0.177SC..Hα-helixtrans-65.8-33.3178.7-69.6171.9000113A72 A73 R78 V132 L136A72-L76 WeakPolarHBondContact O-CG 3.4Å; A72-L76 PolarHBondContact O-N 3.19Å; A73-L76 PolarHBondContact O-N 3.4Å; L76-R78 VanDerWaalsContact C-N 3.27Å; L76-R78 PolarHBondContact O-N 3.16Å; L76-V132 HydrophobicContact CB-CG1 3.77Å; L76-V132 HydrophobicContact CB-CG2 4.04Å; L76-V132 HydrophobicContact CD1-CG1 3.89Å; L76-V132 HydrophobicContact CG-CG1 4.49Å; L76-L136 HydrophobicContact CD1-CD1 4.46Å; L76-L136 HydrophobicContact CD1-CD2 3.75Å; L76-L136 HydrophobicContact CD1-CG 3.97Å
77L97.1Very high96.4Very high15 Ų1535.6 Ų35.68%0.07918%0.177CC..THydrogen-bonded Turntrans-79.7-3.3173.5-69.7168.6000113.7A73 G74 I75 L79 I113 R124 D128 V129 V132A73-L77 VanDerWaalsContact O-CB 3.32Å; A73-L77 WeakPolarHBondContact O-CB 3.43Å; A73-L77 WeakPolarHBondContact O-CG 3.15Å; A73-L77 PolarHBondContact O-N 2.91Å; G74-L77 CarbonylContact O-C 3.4Å; G74-L77 PolarHBondContact O-N 3.39Å; I75-L77 VanDerWaalsContact C-N 3.34Å; I75-L77 PolarHBondContact O-N 2.77Å; L77-L79 HydrophobicContact CB-CD1 4.34Å; L77-L79 HydrophobicContact CB-CG 4.1Å; L77-L79 HydrophobicContact CD1-CD1 4.32Å; L77-L79 PolarHBondContact O-N 3.19Å; L77-I113 HydrophobicContact CD1-CD1 4.07Å; L77-R124 HydrophobicContact CB-CG 4.4Å; L77-R124 PolarHBondContact O-NE 3.36Å; L77-D128 HydrophobicContact CD2-CB 4.07Å; L77-V129 HydrophobicContact CD1-CG2 3.96Å; L77-V129 HydrophobicContact CD2-CG2 4.5Å; L77-V132 HydrophobicContact CD2-CB 4.42Å; L77-V132 HydrophobicContact CD2-CG2 3.85Å; L77-V132 HydrophobicContact CG-CB 4.41Å; L77-V132 HydrophobicContact CG-CG1 4.44Å; L77-V132 HydrophobicContact CG-CG2 4.06Å
78R96.7Very high96.5Very high216 Ų21635.7 Ų35.782%0.81518%0.178SC*.THydrogen-bonded Turntrans49.853.9-172.9-56.8-178.5-179.5-173.2-1.3111.9G74 I75 L76 R124G74-R78 PolarHBondContact O-N 2.93Å; I75-R78 PolarHBondContact O-N 2.95Å; I75-R78 VanDerWaalsContact O-N 3.07Å; L76-R78 VanDerWaalsContact C-N 3.27Å; L76-R78 PolarHBondContact O-N 3.16Å; R78-R124 PolarHBondContact O-NH2 3.48Å
79L97.2Very high96.6Very high13 Ų1332.8 Ų32.87%0.06816%0.164CC..  trans-88.8151.3171.6-73176.4000111G74 L77 A83 M84 I113 A122 R124G74-L79 PolarHBondContact O-N 3.25Å; L77-L79 HydrophobicContact CB-CD1 4.34Å; L77-L79 HydrophobicContact CB-CG 4.1Å; L77-L79 HydrophobicContact CD1-CD1 4.32Å; L77-L79 PolarHBondContact O-N 3.19Å; L79-A83 HydrophobicContact CB-CB 4.34Å; L79-M84 HydrophobicContact CB-CG 4.4Å; L79-I113 HydrophobicContact CD1-CD1 3.98Å; L79-I113 HydrophobicContact CD1-CG1 3.7Å; L79-A122 HydrophobicContact CD2-CB 4.16Å; L79-A122 VanDerWaalsContact CD2-O 3.31Å; L79-A122 WeakPolarHBondContact CD2-O 3.47Å; L79-R124 HydrophobicContact CD2-CG 3.78Å; L79-R124 HydrophobicContact CG-CG 4.34Å
80P96.2Very high96.6Very high57 Ų5732.4 Ų32.437%0.3716%0.162SC..  trans-66.6153.8171.229.4-34.5000110.9V82 A83 M84 A122P80-V82 PolarHBondContact O-N 2.93Å; P80-A83 HydrophobicContact CG-CB 3.93Å; P80-A83 PolarHBondContact O-N 2.98Å; P80-M84 PolarHBondContact O-N 2.8Å; P80-A122 HydrophobicContact CG-CB 4.19Å
81Q94.1Very high96.6Very high51 Ų5132.4 Ų32.424%0.23816%0.162CC..Hα-helixtrans-58.9-32-179.4-174.859.254.500112.9A83 M84 A85Q81-A83 VanDerWaalsContact C-N 3.34Å; Q81-A83 PolarHBondContact O-N 3.21Å; Q81-M84 HydrophobicContact CB-CE 4.44Å; Q81-M84 PolarHBondContact O-N 2.86Å; Q81-A85 WeakPolarHBondContact O-CB 3.41Å; Q81-A85 PolarHBondContact O-N 2.85Å
82V94.9Very high96.6Very high58 Ų5830.6 Ų30.635%0.35215%0.154SC..Hα-helixtrans-58.8-44.2175-168.20000111P80 M84 A85 T86 E120P80-V82 PolarHBondContact O-N 2.93Å; V82-M84 VanDerWaalsContact C-N 3.35Å; V82-M84 PolarHBondContact O-N 2.66Å; V82-A85 PolarHBondContact O-N 3.1Å; V82-T86 WeakPolarHBondContact O-CB 3.45Å; V82-T86 PolarHBondContact O-N 2.99Å; V82-T86 PolarHBondContact O-OG1 3.38Å; V82-E120 HydrophobicContact CG1-CG 4.32Å; V82-E120 WeakPolarHBondContact CG1-OE2 3.45Å
83A96.6Very high96.5Very high0 Ų029.3 Ų29.30%014%0.141CC..Hα-helixtrans-69-31.4178.200000113.2L79 P80 Q81 G87 A116 E120L79-A83 HydrophobicContact CB-CB 4.34Å; P80-A83 HydrophobicContact CG-CB 3.93Å; P80-A83 PolarHBondContact O-N 2.98Å; Q81-A83 VanDerWaalsContact C-N 3.34Å; Q81-A83 PolarHBondContact O-N 3.21Å; A83-G87 PolarHBondContact O-N 2.63Å; A83-A116 VanDerWaalsContact O-CB 3.3Å; A83-A116 WeakPolarHBondContact O-CB 3.45Å; A83-E120 HydrophobicContact CB-CB 3.96Å; A83-E120 HydrophobicContact CB-CG 3.73Å
84M96.8Very high96.5Very high9 Ų929.4 Ų29.44%0.04414%0.142CC..Hα-helixtrans-69.6-43.8173.1-65.8-171.6-79.600111.1Q71 G74 I75 L79 P80 Q81 V82 G87 Q88Q71-M84 VanDerWaalsContact O-SD 3.37Å; G74-M84 WeakPolarHBondContact CA-SD 3.44Å; I75-M84 HydrophobicContact CG1-CE 4.25Å; I75-M84 HydrophobicContact CG1-SD 4.07Å; I75-M84 PolarHBondContact N-SD 2.87Å; L79-M84 HydrophobicContact CB-CG 4.4Å; P80-M84 PolarHBondContact O-N 2.8Å; Q81-M84 HydrophobicContact CB-CE 4.44Å; Q81-M84 PolarHBondContact O-N 2.86Å; V82-M84 VanDerWaalsContact C-N 3.35Å; V82-M84 PolarHBondContact O-N 2.66Å; M84-G87 PolarHBondContact O-N 2.95Å; M84-Q88 WeakPolarHBondContact O-CG 3.48Å; M84-Q88 PolarHBondContact O-N 3Å
85A96.3Very high96.4Very high0 Ų029.4 Ų29.40%014%0.142CC..Hα-helixtrans-63.4-48.2175.500000112Q81 V82 G87 Q88 V89 H180 L212Q81-A85 WeakPolarHBondContact O-CB 3.41Å; Q81-A85 PolarHBondContact O-N 2.85Å; V82-A85 PolarHBondContact O-N 3.1Å; A85-G87 VanDerWaalsContact C-N 3.29Å; A85-G87 PolarHBondContact O-N 3.26Å; A85-Q88 PolarHBondContact O-N 3.4Å; A85-Q88 VanDerWaalsContact O-N 3.09Å; A85-V89 WeakPolarHBondContact O-CG2 3.47Å; A85-V89 PolarHBondContact O-N 3.43Å; A85-H180 WeakPolarHBondContact CB-CE1 3.48Å; A85-L212 HydrophobicContact CB-CD1 3.66Å; A85-L212 HydrophobicContact CB-CD2 3.87Å; A85-L212 HydrophobicContact CB-CG 4.46Å
86T96.5Very high96.2Very high0 Ų025.6 Ų25.60%012%0.121CC..Hα-helixtrans-55.8-44.2173.4-65.50000110.7V82 Q88 V89 L90 A116 I119 E120 V178 H180V82-T86 WeakPolarHBondContact O-CB 3.45Å; V82-T86 PolarHBondContact O-N 2.99Å; V82-T86 PolarHBondContact O-OG1 3.38Å; T86-Q88 VanDerWaalsContact C-N 3.34Å; T86-Q88 PolarHBondContact O-N 3.34Å; T86-V89 PolarHBondContact O-N 2.89Å; T86-L90 HydrophobicContact CG2-CD1 3.85Å; T86-L90 HydrophobicContact CG2-CG 4.27Å; T86-L90 WeakPolarHBondContact O-CB 3.44Å; T86-L90 WeakPolarHBondContact O-CG 3.29Å; T86-L90 PolarHBondContact O-N 3.13Å; T86-A116 HydrophobicContact CG2-CB 3.88Å; T86-I119 HydrophobicContact CG2-CD1 4.41Å; T86-I119 HydrophobicContact CG2-CG2 4.4Å; T86-E120 WeakPolarHBondContact CB-OE1 3.49Å; T86-E120 WeakPolarHBondContact CG2-OE1 3.3Å; T86-E120 PolarHBondContact OG1-OE1 3.22Å; T86-V178 HydrophobicContact CG2-CG2 4.17Å; T86-H180 PolarHBondContact N-CE1 3.5Å; T86-H180 PolarHBondContact OG1-NE2 2.88Å
87G97.4Very high96Very high0 Ų023.9 Ų23.90%012%0.116CC..Hα-helixtrans-57.9-41.9175.100000113.7A83 M84 A85 F91A83-G87 PolarHBondContact O-N 2.63Å; M84-G87 PolarHBondContact O-N 2.95Å; A85-G87 VanDerWaalsContact C-N 3.29Å; A85-G87 PolarHBondContact O-N 3.26Å; G87-F91 WeakPolarHBondContact O-CB 3.44Å; G87-F91 PolarHBondContact O-N 2.99Å; G87-F91 VanDerWaalsContact O-N 3.07Å
88Q97.5Very high95.9Very high2 Ų225.6 Ų25.61%0.00912%0.123CC..Hα-helixtrans-68.5-43.5177.9-70.6164.5-31.400112.3C67 I70 M84 A85 T86 F91 H92C67-Q88 HydrophobicContact CB-CG 3.92Å; C67-Q88 PolarHBondContact O-NE2 2.87Å; I70-Q88 HydrophobicContact CB-CG 4.15Å; I70-Q88 HydrophobicContact CG2-CG 3.93Å; M84-Q88 WeakPolarHBondContact O-CG 3.48Å; M84-Q88 PolarHBondContact O-N 3Å; A85-Q88 PolarHBondContact O-N 3.4Å; A85-Q88 VanDerWaalsContact O-N 3.09Å; T86-Q88 VanDerWaalsContact C-N 3.34Å; T86-Q88 PolarHBondContact O-N 3.34Å; Q88-F91 WeakPolarHBondContact O-CB 3.4Å; Q88-F91 PolarHBondContact O-N 3.43Å; Q88-H92 PolarHBondContact O-CD2 3.37Å; Q88-H92 VanDerWaalsContact O-CD2 3.25Å; Q88-H92 PolarHBondContact O-N 2.92Å
89V96.2Very high95.9Very high1 Ų115.4 Ų15.41%0.0069%0.085CC..Hα-helixtrans-65.5-42.9177.51790000111.5A85 T86 F91 H92 R93 V178 L212 F217 V218A85-V89 WeakPolarHBondContact O-CG2 3.47Å; A85-V89 PolarHBondContact O-N 3.43Å; T86-V89 PolarHBondContact O-N 2.89Å; V89-F91 VanDerWaalsContact C-N 3.29Å; V89-F91 PolarHBondContact O-N 2.72Å; V89-H92 PolarHBondContact O-N 3.11Å; V89-R93 HydrophobicContact CG1-CG 4.42Å; V89-R93 WeakPolarHBondContact O-CG 3.41Å; V89-R93 PolarHBondContact O-N 2.81Å; V89-V178 HydrophobicContact CB-CG1 4.06Å; V89-V178 HydrophobicContact CB-CG2 4.05Å; V89-V178 HydrophobicContact CG1-CG1 4Å; V89-V178 HydrophobicContact CG1-CG2 3.89Å; V89-V178 HydrophobicContact CG2-CG1 3.96Å; V89-L212 HydrophobicContact CG2-CD2 4.11Å; V89-F217 HydrophobicContact CG2-CB 3.81Å; V89-F217 HydrophobicContact CG2-CD1 3.73Å; V89-F217 HydrophobicContact CG2-CG 4Å; V89-V218 HydrophobicContact CG1-CG1 4.37Å
90L96.8Very high95.8Very high0 Ų014.9 Ų14.90%08%0.082CC..Hα-helixtrans-60.8-37.9174.1-67.2173.1000112T86 F94 L115 A116 I119 L172 V176T86-L90 HydrophobicContact CG2-CD1 3.85Å; T86-L90 HydrophobicContact CG2-CG 4.27Å; T86-L90 WeakPolarHBondContact O-CB 3.44Å; T86-L90 WeakPolarHBondContact O-CG 3.29Å; T86-L90 PolarHBondContact O-N 3.13Å; L90-F94 WeakPolarHBondContact O-CB 3.38Å; L90-F94 PolarHBondContact O-N 3.45Å; L90-L115 HydrophobicContact CD1-CD2 4.26Å; L90-L115 HydrophobicContact CD1-CG 4.29Å; L90-A116 HydrophobicContact CD1-CB 4.4Å; L90-I119 HydrophobicContact CD1-CD1 3.81Å; L90-L172 HydrophobicContact CB-CD1 4.48Å; L90-L172 HydrophobicContact CD2-CD1 3.53Å; L90-V176 HydrophobicContact CD2-CB 3.92Å; L90-V176 HydrophobicContact CD2-CG1 4.09Å
91F97.6Very high95.7Very high0 Ų012.3 Ų12.30%07%0.065CC..Hα-helixtrans-64.8-46175.4-176.9-87.1000112.1I70 G87 Q88 V89 F94 F95 F100 F105 V108 A109 C112I70-F91 HydrophobicContact CD1-CB 3.71Å; I70-F91 HydrophobicContact CD1-CD2 3.86Å; I70-F91 HydrophobicContact CD1-CG 3.87Å; G87-F91 WeakPolarHBondContact O-CB 3.44Å; G87-F91 PolarHBondContact O-N 2.99Å; G87-F91 VanDerWaalsContact O-N 3.07Å; Q88-F91 WeakPolarHBondContact O-CB 3.4Å; Q88-F91 PolarHBondContact O-N 3.43Å; V89-F91 VanDerWaalsContact C-N 3.29Å; V89-F91 PolarHBondContact O-N 2.72Å; F91-F94 PolarHBondContact O-N 3.29Å; F91-F95 HydrophobicContact CD1-CD2 4.07Å; F91-F95 HydrophobicContact CD2-CD2 4.15Å; F91-F95 AromaticContact CD2-CE2 3.91Å; F91-F95 HydrophobicContact CD2-CE2 3.91Å; F91-F95 AromaticContact CE1-CD2 3.83Å; F91-F95 HydrophobicContact CE1-CD2 3.83Å; F91-F95 HydrophobicContact CE1-CE2 4.15Å; F91-F95 AromaticContact CE2-CD2 3.94Å; F91-F95 HydrophobicContact CE2-CD2 3.94Å; F91-F95 AromaticContact CE2-CE2 3.46Å; F91-F95 HydrophobicContact CE2-CE2 3.46Å; F91-F95 VanDerWaalsContact CE2-CE2 3.46Å; F91-F95 HydrophobicContact CG-CD2 4.21Å; F91-F95 HydrophobicContact CG-CE2 4.44Å; F91-F95 AromaticContact CZ-CD2 3.75Å; F91-F95 HydrophobicContact CZ-CD2 3.75Å; F91-F95 AromaticContact CZ-CE2 3.58Å; F91-F95 HydrophobicContact CZ-CE2 3.58Å; F91-F95 WeakPolarHBondContact O-CD2 3.22Å; F91-F95 PolarHBondContact O-N 3.23Å; F91-F100 HydrophobicContact CE1-CE1 4.34Å; F91-F100 HydrophobicContact CE1-CZ 4.22Å; F91-F100 HydrophobicContact CZ-CE1 4.03Å; F91-F100 HydrophobicContact CZ-CZ 4.36Å; F91-F105 HydrophobicContact CE2-CB 4.4Å; F91-F105 HydrophobicContact CZ-CB 4.17Å; F91-V108 HydrophobicContact CD2-CG1 4.1Å; F91-V108 HydrophobicContact CE2-CG1 4.37Å; F91-A109 HydrophobicContact CD2-CB 4.24Å; F91-A109 HydrophobicContact CE2-CB 3.96Å; F91-C112 HydrophobicContact CB-CB 4.35Å
92H96.1Very high95.7Very high2 Ų214.9 Ų14.91%0.0098%0.076CC..Hα-helixtrans-61.6-48.9174.6-75.2-63.3000112.5R63 C67 Q88 V89 F94 F95 Y96 L212 T214 V218R63-H92 PolarHBondContact NH1-O 3.18Å; C67-H92 PolarHBondContact SG-NE2 2.77Å; Q88-H92 PolarHBondContact O-CD2 3.37Å; Q88-H92 VanDerWaalsContact O-CD2 3.25Å; Q88-H92 PolarHBondContact O-N 2.92Å; V89-H92 PolarHBondContact O-N 3.11Å; H92-F94 VanDerWaalsContact C-N 3.29Å; H92-F94 PolarHBondContact O-N 2.9Å; H92-F95 PolarHBondContact O-N 3.4Å; H92-Y96 WeakPolarHBondContact O-CD2 3.2Å; H92-Y96 PolarHBondContact O-N 3.36Å; H92-L212 PolarHBondContact NE2-O 2.94Å; H92-T214 PolarHBondContact CE1-O 3.33Å; H92-T214 PolarHBondContact NE2-O 2.84Å; H92-V218 HydrophobicContact CB-CG1 3.86Å; H92-V218 HydrophobicContact CB-CG2 4.45Å
93R94.9Very high95.7Very high7 Ų713.2 Ų13.23%0.0266%0.064CC..Hα-helixtrans-58.6-40.7178.2-71.4-176171148.29111.6N36 S37 V89 S97 L172 H177 V218N36-R93 PolarHBondContact OD1-NH2 3.16Å; S37-R93 PolarHBondContact O-NE 3.06Å; S37-R93 VanDerWaalsContact O-NE 3.1Å; S37-R93 PolarHBondContact O-NH2 2.81Å; V89-R93 HydrophobicContact CG1-CG 4.42Å; V89-R93 WeakPolarHBondContact O-CG 3.41Å; V89-R93 PolarHBondContact O-N 2.81Å; R93-S97 PolarHBondContact O-N 3.46Å; R93-S97 PolarHBondContact O-OG 3.5Å; R93-L172 HydrophobicContact CB-CD2 3.49Å; R93-L172 VanDerWaalsContact CB-CD2 3.49Å; R93-H177 PolarHBondContact NH1-O 2.72Å; R93-V218 HydrophobicContact CG-CG1 3.6Å
94F95.9Very high95.5Very high2 Ų216.6 Ų16.61%0.0099%0.087CC..Hα-helixtrans-62.8-48175.4-178.3-92.9000112L90 F91 H92 Y96 S97 K98 H103 V108 R167 V168 E171L90-F94 WeakPolarHBondContact O-CB 3.38Å; L90-F94 PolarHBondContact O-N 3.45Å; F91-F94 PolarHBondContact O-N 3.29Å; H92-F94 VanDerWaalsContact C-N 3.29Å; H92-F94 PolarHBondContact O-N 2.9Å; F94-Y96 PolarHBondContact O-N 3.03Å; F94-S97 CarbonylContact O-C 3.41Å; F94-S97 WeakPolarHBondContact O-CA 3.39Å; F94-S97 WeakPolarHBondContact O-CB 3.47Å; F94-S97 PolarHBondContact O-N 3.48Å; F94-K98 HydrophobicContact CD1-CB 4.39Å; F94-K98 HydrophobicContact CE1-CB 3.88Å; F94-K98 HydrophobicContact CE1-CG 4.47Å; F94-K98 HydrophobicContact CE2-CB 4.46Å; F94-K98 HydrophobicContact CE2-CG 4.19Å; F94-K98 HydrophobicContact CZ-CB 3.93Å; F94-K98 HydrophobicContact CZ-CG 4.02Å; F94-K98 PolarHBondContact O-N 3.43Å; F94-H103 HydrophobicContact CE1-CB 4.25Å; F94-H103 AromaticContact CZ-CD2 3.94Å; F94-V108 HydrophobicContact CD1-CG1 3.7Å; F94-V108 HydrophobicContact CD1-CG2 4.37Å; F94-V108 HydrophobicContact CE1-CG1 4.03Å; F94-V108 HydrophobicContact CE1-CG2 3.85Å; F94-V108 HydrophobicContact CG-CG1 4.23Å; F94-V108 HydrophobicContact CZ-CG2 4.37Å; F94-R167 HydrophobicContact CE2-CG 4.19Å; F94-V168 HydrophobicContact CD2-CB 4.32Å; F94-V168 HydrophobicContact CD2-CG2 3.77Å; F94-V168 HydrophobicContact CE2-CG2 4.14Å; F94-V168 HydrophobicContact CG-CG2 4.21Å; F94-E171 HydrophobicContact CD2-CB 4.33Å; F94-E171 HydrophobicContact CD2-CG 4.48Å; F94-E171 HydrophobicContact CE2-CB 4.3Å; F94-E171 HydrophobicContact CE2-CG 3.96Å
95F95.9Very high95.3Very high0 Ų016.6 Ų16.60%09%0.087CC..Hα-helixtrans-77.8-16.7-176.5-79.2-69.8000114.9R63 F91 H92 S97 K98 F100 H103 F105 V108R63-F95 PolarHBondContact NH2-O 3.07Å; F91-F95 HydrophobicContact CD1-CD2 4.07Å; F91-F95 HydrophobicContact CD2-CD2 4.15Å; F91-F95 AromaticContact CD2-CE2 3.91Å; F91-F95 HydrophobicContact CD2-CE2 3.91Å; F91-F95 AromaticContact CE1-CD2 3.83Å; F91-F95 HydrophobicContact CE1-CD2 3.83Å; F91-F95 HydrophobicContact CE1-CE2 4.15Å; F91-F95 AromaticContact CE2-CD2 3.94Å; F91-F95 HydrophobicContact CE2-CD2 3.94Å; F91-F95 AromaticContact CE2-CE2 3.46Å; F91-F95 HydrophobicContact CE2-CE2 3.46Å; F91-F95 VanDerWaalsContact CE2-CE2 3.46Å; F91-F95 HydrophobicContact CG-CD2 4.21Å; F91-F95 HydrophobicContact CG-CE2 4.44Å; F91-F95 AromaticContact CZ-CD2 3.75Å; F91-F95 HydrophobicContact CZ-CD2 3.75Å; F91-F95 AromaticContact CZ-CE2 3.58Å; F91-F95 HydrophobicContact CZ-CE2 3.58Å; F91-F95 WeakPolarHBondContact O-CD2 3.22Å; F91-F95 PolarHBondContact O-N 3.23Å; H92-F95 PolarHBondContact O-N 3.4Å; F95-S97 VanDerWaalsContact C-N 3.28Å; F95-K98 CarbonylContact C-O 3.41Å; F95-K98 VanDerWaalsContact CA-O 3.28Å; F95-K98 WeakPolarHBondContact CA-O 3.26Å; F95-K98 VanDerWaalsContact CD1-O 3.28Å; F95-K98 WeakPolarHBondContact CD1-O 3.3Å; F95-F100 HydrophobicContact CB-CD2 4.42Å; F95-F100 HydrophobicContact CB-CE1 4.44Å; F95-F100 HydrophobicContact CB-CE2 3.68Å; F95-F100 HydrophobicContact CB-CZ 3.7Å; F95-F100 HydrophobicContact CD1-CB 4.5Å; F95-F100 AromaticContact CD1-CD1 3.6Å; F95-F100 HydrophobicContact CD1-CD1 3.6Å; F95-F100 AromaticContact CD1-CD2 3.76Å; F95-F100 HydrophobicContact CD1-CD2 3.76Å; F95-F100 AromaticContact CD1-CE1 3.58Å; F95-F100 HydrophobicContact CD1-CE1 3.58Å; F95-F100 AromaticContact CD1-CE2 3.73Å; F95-F100 HydrophobicContact CD1-CE2 3.73Å; F95-F100 AromaticContact CD1-CG 3.69Å; F95-F100 HydrophobicContact CD1-CG 3.69Å; F95-F100 AromaticContact CD1-CZ 3.65Å; F95-F100 HydrophobicContact CD1-CZ 3.65Å; F95-F100 HydrophobicContact CD2-CD1 4.42Å; F95-F100 AromaticContact CD2-CE1 3.65Å; F95-F100 HydrophobicContact CD2-CE1 3.65Å; F95-F100 HydrophobicContact CD2-CE2 4.42Å; F95-F100 AromaticContact CD2-CZ 3.65Å; F95-F100 HydrophobicContact CD2-CZ 3.65Å; F95-F100 HydrophobicContact CE1-CB 4.39Å; F95-F100 AromaticContact CE1-CD1 3.42Å; F95-F100 HydrophobicContact CE1-CD1 3.42Å; F95-F100 VanDerWaalsContact CE1-CD1 3.42Å; F95-F100 HydrophobicContact CE1-CD2 4.37Å; F95-F100 AromaticContact CE1-CE1 3.66Å; F95-F100 HydrophobicContact CE1-CE1 3.66Å; F95-F100 AromaticContact CE1-CG 3.82Å; F95-F100 HydrophobicContact CE1-CG 3.82Å; F95-F100 HydrophobicContact CE1-CZ 4.22Å; F95-F100 HydrophobicContact CE2-CD1 4.26Å; F95-F100 AromaticContact CE2-CE1 3.69Å; F95-F100 HydrophobicContact CE2-CE1 3.69Å; F95-F100 HydrophobicContact CE2-CZ 4.19Å; F95-F100 HydrophobicContact CG-CD1 4.13Å; F95-F100 HydrophobicContact CG-CD2 4.21Å; F95-F100 AromaticContact CG-CE1 3.61Å; F95-F100 HydrophobicContact CG-CE1 3.61Å; F95-F100 AromaticContact CG-CE2 3.68Å; F95-F100 HydrophobicContact CG-CE2 3.68Å; F95-F100 HydrophobicContact CG-CG 4.41Å; F95-F100 AromaticContact CG-CZ 3.35Å; F95-F100 HydrophobicContact CG-CZ 3.35Å; F95-F100 AromaticContact CZ-CD1 3.78Å; F95-F100 HydrophobicContact CZ-CD1 3.78Å; F95-F100 AromaticContact CZ-CE1 3.7Å; F95-F100 HydrophobicContact CZ-CE1 3.7Å; F95-F100 HydrophobicContact CZ-CZ 4.46Å; F95-H103 HydrophobicContact CE1-CB 4.18Å; F95-H103 HydrophobicContact CZ-CB 4.39Å; F95-F105 HydrophobicContact CE2-CB 4.47Å; F95-F105 HydrophobicContact CZ-CB 4.23Å; F95-V108 HydrophobicContact CD2-CG1 4.41Å; F95-V108 HydrophobicContact CE2-CB 3.8Å; F95-V108 HydrophobicContact CE2-CG1 3.52Å; F95-V108 HydrophobicContact CE2-CG2 4.28Å; F95-V108 HydrophobicContact CZ-CB 3.86Å; F95-V108 HydrophobicContact CZ-CG1 3.98Å; F95-V108 HydrophobicContact CZ-CG2 3.87Å
96Y94.1Very high95.3Very high22 Ų2217.5 Ų17.59%0.0869%0.091CC..Hα-helixtrans-74.1-21161-83.8-68.9000113I39 L44 T47 P48 H92 F94 N215 V218I39-Y96 VanDerWaalsContact CD1-CB 3.43Å; I39-Y96 HydrophobicContact CD1-CD2 3.83Å; I39-Y96 HydrophobicContact CD1-CG 3.79Å; L44-Y96 HydrophobicContact CD2-CD1 4.32Å; L44-Y96 HydrophobicContact CD2-CE1 3.97Å; T47-Y96 HydrophobicContact CG2-CD1 4.44Å; T47-Y96 HydrophobicContact CG2-CE1 4.11Å; P48-Y96 VanDerWaalsContact CD-O 3.28Å; P48-Y96 WeakPolarHBondContact CD-O 3.25Å; P48-Y96 VanDerWaalsContact CG-O 3.23Å; P48-Y96 WeakPolarHBondContact CG-O 3.29Å; H92-Y96 WeakPolarHBondContact O-CD2 3.2Å; H92-Y96 PolarHBondContact O-N 3.36Å; F94-Y96 PolarHBondContact O-N 3.03Å; Y96-N215 HydrophobicContact CE2-CB 3.9Å; Y96-N215 WeakPolarHBondContact OH-CB 3.36Å; Y96-N215 PolarHBondContact OH-ND2 3.36Å; Y96-V218 HydrophobicContact CD2-CG2 3.75Å; Y96-V218 HydrophobicContact CE2-CG2 3.64Å
97S92.4Very high95.3Very high47 Ų4718.6 Ų18.633%0.32910%0.097SC..Hα-helixtrans-95-16.4176.8-58.50000113.5R93 F94 F95R93-S97 PolarHBondContact O-N 3.46Å; R93-S97 PolarHBondContact O-OG 3.5Å; F94-S97 CarbonylContact O-C 3.41Å; F94-S97 WeakPolarHBondContact O-CA 3.39Å; F94-S97 WeakPolarHBondContact O-CB 3.47Å; F94-S97 PolarHBondContact O-N 3.48Å; F95-S97 VanDerWaalsContact C-N 3.28Å
98K94.8Very high95.3Very high51 Ų5118.8 Ų18.822%0.22210%0.098CC..SBendtrans-152.2146.2-174.2-70.3-59.2165.5-59.80113.2F94 F95 E171F94-K98 HydrophobicContact CD1-CB 4.39Å; F94-K98 HydrophobicContact CE1-CB 3.88Å; F94-K98 HydrophobicContact CE1-CG 4.47Å; F94-K98 HydrophobicContact CE2-CB 4.46Å; F94-K98 HydrophobicContact CE2-CG 4.19Å; F94-K98 HydrophobicContact CZ-CB 3.93Å; F94-K98 HydrophobicContact CZ-CG 4.02Å; F94-K98 PolarHBondContact O-N 3.43Å; F95-K98 CarbonylContact C-O 3.41Å; F95-K98 VanDerWaalsContact CA-O 3.28Å; F95-K98 WeakPolarHBondContact CA-O 3.26Å; F95-K98 VanDerWaalsContact CD1-O 3.28Å; F95-K98 WeakPolarHBondContact CD1-O 3.3Å; K98-E171 VanDerWaalsContact CE-OE1 3.24Å; K98-E171 WeakPolarHBondContact CE-OE1 3.22Å; K98-E171 WeakPolarHBondContact CE-OE2 3.46Å; K98-E171 HydrophobicContact CG-CG 4.26Å; K98-E171 IonicContact NZ-OE1 2.69Å; K98-E171 IonicContact NZ-OE2 2.92Å; K98-E171 PolarHBondContact NZ-OE2 3.38Å
99S95.6Very high95.3Very high1 Ų118.7 Ų18.71%0.00710%0.097CC..  trans-74141.2-177172.80000114.7P48 D52 V101 K102 H103P48-S99 WeakPolarHBondContact O-CB 3.39Å; D52-S99 WeakPolarHBondContact OD2-CB 3.36Å; D52-S99 PolarHBondContact OD2-OG 3.1Å; S99-V101 VanDerWaalsContact C-N 3.3Å; S99-V101 PolarHBondContact O-N 3.46Å; S99-V101 WeakPolarHBondContact OG-CB 3.45Å; S99-V101 PolarHBondContact OG-N 2.86Å; S99-K102 PolarHBondContact O-N 3.02Å; S99-H103 PolarHBondContact O-N 3.28Å; S99-H103 PolarHBondContact O-ND1 3.49Å
100F95.9Very high95.4Very high3 Ų319 Ų191%0.01310%0.099CC..G310 helixtrans-59.8-34.4165.3-76.6-75.8000113.3S49 L54 E59 L62 R63 F91 F95 K102 H103 F105S49-F100 WeakPolarHBondContact OG-CD2 3.34Å; S49-F100 PolarHBondContact OG-N 3.07Å; L54-F100 HydrophobicContact CD2-CB 4.01Å; E59-F100 HydrophobicContact CG-CD2 3.96Å; E59-F100 HydrophobicContact CG-CE2 3.83Å; L62-F100 HydrophobicContact CB-CD1 4.12Å; L62-F100 HydrophobicContact CB-CE1 3.92Å; L62-F100 HydrophobicContact CB-CE2 4.34Å; L62-F100 HydrophobicContact CB-CG 4.42Å; L62-F100 HydrophobicContact CB-CZ 4.04Å; L62-F100 HydrophobicContact CD1-CB 4.14Å; L62-F100 HydrophobicContact CD1-CD1 4.24Å; L62-F100 HydrophobicContact CD1-CD2 4.45Å; L62-F100 HydrophobicContact CD1-CG 4.04Å; R63-F100 HydrophobicContact CG-CE2 3.78Å; R63-F100 HydrophobicContact CG-CZ 3.72Å; F91-F100 HydrophobicContact CE1-CE1 4.34Å; F91-F100 HydrophobicContact CE1-CZ 4.22Å; F91-F100 HydrophobicContact CZ-CE1 4.03Å; F91-F100 HydrophobicContact CZ-CZ 4.36Å; F95-F100 HydrophobicContact CB-CD2 4.42Å; F95-F100 HydrophobicContact CB-CE1 4.44Å; F95-F100 HydrophobicContact CB-CE2 3.68Å; F95-F100 HydrophobicContact CB-CZ 3.7Å; F95-F100 HydrophobicContact CD1-CB 4.5Å; F95-F100 AromaticContact CD1-CD1 3.6Å; F95-F100 HydrophobicContact CD1-CD1 3.6Å; F95-F100 AromaticContact CD1-CD2 3.76Å; F95-F100 HydrophobicContact CD1-CD2 3.76Å; F95-F100 AromaticContact CD1-CE1 3.58Å; F95-F100 HydrophobicContact CD1-CE1 3.58Å; F95-F100 AromaticContact CD1-CE2 3.73Å; F95-F100 HydrophobicContact CD1-CE2 3.73Å; F95-F100 AromaticContact CD1-CG 3.69Å; F95-F100 HydrophobicContact CD1-CG 3.69Å; F95-F100 AromaticContact CD1-CZ 3.65Å; F95-F100 HydrophobicContact CD1-CZ 3.65Å; F95-F100 HydrophobicContact CD2-CD1 4.42Å; F95-F100 AromaticContact CD2-CE1 3.65Å; F95-F100 HydrophobicContact CD2-CE1 3.65Å; F95-F100 HydrophobicContact CD2-CE2 4.42Å; F95-F100 AromaticContact CD2-CZ 3.65Å; F95-F100 HydrophobicContact CD2-CZ 3.65Å; F95-F100 HydrophobicContact CE1-CB 4.39Å; F95-F100 AromaticContact CE1-CD1 3.42Å; F95-F100 HydrophobicContact CE1-CD1 3.42Å; F95-F100 VanDerWaalsContact CE1-CD1 3.42Å; F95-F100 HydrophobicContact CE1-CD2 4.37Å; F95-F100 AromaticContact CE1-CE1 3.66Å; F95-F100 HydrophobicContact CE1-CE1 3.66Å; F95-F100 AromaticContact CE1-CG 3.82Å; F95-F100 HydrophobicContact CE1-CG 3.82Å; F95-F100 HydrophobicContact CE1-CZ 4.22Å; F95-F100 HydrophobicContact CE2-CD1 4.26Å; F95-F100 AromaticContact CE2-CE1 3.69Å; F95-F100 HydrophobicContact CE2-CE1 3.69Å; F95-F100 HydrophobicContact CE2-CZ 4.19Å; F95-F100 HydrophobicContact CG-CD1 4.13Å; F95-F100 HydrophobicContact CG-CD2 4.21Å; F95-F100 AromaticContact CG-CE1 3.61Å; F95-F100 HydrophobicContact CG-CE1 3.61Å; F95-F100 AromaticContact CG-CE2 3.68Å; F95-F100 HydrophobicContact CG-CE2 3.68Å; F95-F100 HydrophobicContact CG-CG 4.41Å; F95-F100 AromaticContact CG-CZ 3.35Å; F95-F100 HydrophobicContact CG-CZ 3.35Å; F95-F100 AromaticContact CZ-CD1 3.78Å; F95-F100 HydrophobicContact CZ-CD1 3.78Å; F95-F100 AromaticContact CZ-CE1 3.7Å; F95-F100 HydrophobicContact CZ-CE1 3.7Å; F95-F100 HydrophobicContact CZ-CZ 4.46Å; F100-K102 PolarHBondContact O-N 3.5Å; F100-H103 PolarHBondContact O-N 2.86Å; F100-F105 HydrophobicContact CD1-CB 3.9Å; F100-F105 HydrophobicContact CE1-CB 3.82Å
101V94.2Very high95.5Very high2 Ų219 Ų191%0.01210%0.099CC..G310 helixtrans-65.9-28.1177.8-171.80000111.6D52 L54 S99 R286 K287 L290D52-V101 HydrophobicContact CB-CB 3.95Å; D52-V101 HydrophobicContact CB-CG1 4.44Å; D52-V101 HydrophobicContact CB-CG2 3.87Å; L54-V101 HydrophobicContact CB-CG2 4.19Å; L54-V101 HydrophobicContact CD1-CG2 4.41Å; S99-V101 VanDerWaalsContact C-N 3.3Å; S99-V101 PolarHBondContact O-N 3.46Å; S99-V101 WeakPolarHBondContact OG-CB 3.45Å; S99-V101 PolarHBondContact OG-N 2.86Å; V101-R286 HydrophobicContact CG1-CB 3.98Å; V101-R286 HydrophobicContact CG2-CB 4Å; V101-K287 HydrophobicContact CG1-CB 3.92Å; V101-L290 HydrophobicContact CG1-CB 4.37Å; V101-L290 HydrophobicContact CG1-CD1 4.13Å
102K93.3Very high95.5Very high106 Ų10619 Ų1946%0.46110%0.099SC..G310 helixtrans-94.1-11.1-179.5-67.6172.1-177.8129.20114D52 S99 F100D52-K102 VanDerWaalsContact OD1-CE 3.26Å; D52-K102 WeakPolarHBondContact OD1-CE 3.43Å; D52-K102 IonicContact OD1-NZ 3.25Å; D52-K102 PolarHBondContact OD1-NZ 3.48Å; D52-K102 VanDerWaalsContact OD2-CD 3.29Å; D52-K102 WeakPolarHBondContact OD2-CD 3.37Å; D52-K102 WeakPolarHBondContact OD2-CE 3.44Å; D52-K102 WeakPolarHBondContact OD2-CG 2.96Å; D52-K102 IonicContact OD2-NZ 3.84Å; D52-K102 PolarHBondContact OD2-NZ 3.39Å; S99-K102 PolarHBondContact O-N 3.02Å; F100-K102 PolarHBondContact O-N 3.5Å
103H94.6Very high95.6Very high23 Ų2319 Ų1911%0.10610%0.099CC..SBendtrans-145.4122.2-173.6-51.285.5000112F94 F95 S99 F100 F105 V108 R167F94-H103 HydrophobicContact CE1-CB 4.25Å; F94-H103 AromaticContact CZ-CD2 3.94Å; F95-H103 HydrophobicContact CE1-CB 4.18Å; F95-H103 HydrophobicContact CZ-CB 4.39Å; S99-H103 PolarHBondContact O-N 3.28Å; S99-H103 PolarHBondContact O-ND1 3.49Å; F100-H103 PolarHBondContact O-N 2.86Å; H103-F105 PolarHBondContact O-N 2.98Å; H103-V108 HydrophobicContact CB-CG2 4.1Å; H103-R167 PolarHBondContact NE2-NE 2.79Å; H103-R167 PolarHBondContact NE2-NH1 3.18Å
104S93.4Very high95.7Very high70 Ų7019 Ų1949%0.4910%0.099SC..  trans-59.9120.8173.6172.40000110.9I107 V108S104-I107 PolarHBondContact O-N 3.22Å; S104-V108 WeakPolarHBondContact O-CG2 3.37Å; S104-V108 PolarHBondContact O-N 3.3Å
105F93Very high95.8Very high9 Ų919.2 Ų19.24%0.03910%0.101CC..Hα-helixtrans-69.2-31.5-177.772.9-81.8000113.3L62 L65 L69 F91 F95 F100 H103 I107 V108 A109 Y276L62-F105 HydrophobicContact CD2-CD1 3.92Å; L62-F105 HydrophobicContact CD2-CE1 3.74Å; L62-F105 HydrophobicContact CD2-CG 4.38Å; L62-F105 HydrophobicContact CD2-CZ 4.05Å; L65-F105 HydrophobicContact CD2-CE2 3.75Å; L65-F105 HydrophobicContact CD2-CZ 3.8Å; L65-F105 HydrophobicContact CG-CE2 3.99Å; L69-F105 HydrophobicContact CD1-CD2 4.41Å; L69-F105 HydrophobicContact CD1-CE2 3.9Å; F91-F105 HydrophobicContact CE2-CB 4.4Å; F91-F105 HydrophobicContact CZ-CB 4.17Å; F95-F105 HydrophobicContact CE2-CB 4.47Å; F95-F105 HydrophobicContact CZ-CB 4.23Å; F100-F105 HydrophobicContact CD1-CB 3.9Å; F100-F105 HydrophobicContact CE1-CB 3.82Å; H103-F105 PolarHBondContact O-N 2.98Å; F105-I107 VanDerWaalsContact C-N 3.34Å; F105-V108 PolarHBondContact O-N 3.45Å; F105-A109 WeakPolarHBondContact O-CB 3.4Å; F105-A109 PolarHBondContact O-N 3.03Å; F105-Y276 HydrophobicContact CE1-CE2 4.35Å; F105-Y276 AromaticContact CE2-CE2 3.95Å; F105-Y276 HydrophobicContact CE2-CE2 3.95Å; F105-Y276 HydrophobicContact CZ-CD2 4.14Å; F105-Y276 AromaticContact CZ-CE2 3.36Å; F105-Y276 HydrophobicContact CZ-CE2 3.36Å; F105-Y276 AromaticContact CZ-CZ 3.88Å
106E94.6Very high95.9Very high20 Ų2019.2 Ų19.29%0.09310%0.101CC..Hα-helixtrans-63.5-40.5172.3-68.1-161.9148.400111.2L69 M110 R137 R140 Y276L69-E106 HydrophobicContact CD1-CG 4.34Å; E106-M110 WeakPolarHBondContact O-CG 3.41Å; E106-M110 PolarHBondContact O-N 3.19Å; E106-R137 IonicContact OE2-NE 3.57Å; E106-R140 IonicContact OE1-CZ 3.43Å; E106-R140 VanDerWaalsContact OE1-CZ 3.25Å; E106-R140 IonicContact OE1-NH1 2.71Å; E106-R140 PolarHBondContact OE1-NH1 3.36Å; E106-R140 IonicContact OE1-NH2 3.24Å; E106-R140 PolarHBondContact OE1-NH2 3Å; E106-Y276 VanDerWaalsContact CD-OH 3.27Å; E106-Y276 HydrophobicContact CG-CE2 4.43Å; E106-Y276 WeakPolarHBondContact OE1-CE2 3.28Å; E106-Y276 PolarHBondContact OE1-OH 2.9Å
107I96.8Very high96Very high23 Ų2318.2 Ų18.212%0.11810%0.097CC..Hα-helixtrans-66.2-41.9175.6-59.6-65.1000111.4S104 F105 M110 A111 T157 Q160 V161 A164S104-I107 PolarHBondContact O-N 3.22Å; F105-I107 VanDerWaalsContact C-N 3.34Å; I107-M110 HydrophobicContact CD1-CE 3.85Å; I107-A111 PolarHBondContact O-N 3.42Å; I107-T157 HydrophobicContact CD1-CG2 4.15Å; I107-Q160 HydrophobicContact CD1-CB 4.21Å; I107-Q160 HydrophobicContact CG2-CB 4.06Å; I107-V161 HydrophobicContact CD1-CG2 4.45Å; I107-V161 HydrophobicContact CG2-CG2 4.35Å; I107-A164 HydrophobicContact CG2-CB 3.79Å
108V97.8Very high96.3Very high3 Ų319.9 Ų19.92%0.01810%0.098CC..Hα-helixtrans-70.4-38.3177.8176.40000111.5F91 F94 F95 H103 S104 F105 A111 C112 V168F91-V108 HydrophobicContact CD2-CG1 4.1Å; F91-V108 HydrophobicContact CE2-CG1 4.37Å; F94-V108 HydrophobicContact CD1-CG1 3.7Å; F94-V108 HydrophobicContact CD1-CG2 4.37Å; F94-V108 HydrophobicContact CE1-CG1 4.03Å; F94-V108 HydrophobicContact CE1-CG2 3.85Å; F94-V108 HydrophobicContact CG-CG1 4.23Å; F94-V108 HydrophobicContact CZ-CG2 4.37Å; F95-V108 HydrophobicContact CD2-CG1 4.41Å; F95-V108 HydrophobicContact CE2-CB 3.8Å; F95-V108 HydrophobicContact CE2-CG1 3.52Å; F95-V108 HydrophobicContact CE2-CG2 4.28Å; F95-V108 HydrophobicContact CZ-CB 3.86Å; F95-V108 HydrophobicContact CZ-CG1 3.98Å; F95-V108 HydrophobicContact CZ-CG2 3.87Å; H103-V108 HydrophobicContact CB-CG2 4.1Å; S104-V108 WeakPolarHBondContact O-CG2 3.37Å; S104-V108 PolarHBondContact O-N 3.3Å; F105-V108 PolarHBondContact O-N 3.45Å; V108-A111 CarbonylContact O-C 3.52Å; V108-A111 WeakPolarHBondContact O-CB 3.43Å; V108-A111 PolarHBondContact O-N 2.92Å; V108-A111 VanDerWaalsContact O-N 3.11Å; V108-C112 PolarHBondContact O-N 2.86Å; V108-C112 PolarHBondContact O-SG 3.4Å; V108-C112 VanDerWaalsContact O-SG 3.34Å; V108-V168 HydrophobicContact CG1-CG2 4.35Å
109A97.8Very high96.3Very high0 Ų019.9 Ų19.90%010%0.1CC..Hα-helixtrans-61.7-44174.400000111.8I70 F91 F105 A111 C112 I113 F133I70-A109 HydrophobicContact CD1-CB 4.27Å; I70-A109 HydrophobicContact CG1-CB 3.94Å; F91-A109 HydrophobicContact CD2-CB 4.24Å; F91-A109 HydrophobicContact CE2-CB 3.96Å; F105-A109 WeakPolarHBondContact O-CB 3.4Å; F105-A109 PolarHBondContact O-N 3.03Å; A109-A111 VanDerWaalsContact C-N 3.3Å; A109-A111 PolarHBondContact O-N 3.21Å; A109-C112 PolarHBondContact O-N 3.48Å; A109-I113 WeakPolarHBondContact O-CG2 3.34Å; A109-I113 PolarHBondContact O-N 3.03Å; A109-F133 HydrophobicContact CB-CE1 3.8Å; A109-F133 HydrophobicContact CB-CZ 3.85Å
110M98.1Very high96.3Very high9 Ų922.6 Ų22.64%0.04411%0.113CC..Hα-helixtrans-59.6-38.1171.1-78.5-169.7-80.600112.7E106 I107 N114 V129 I130 F133 T157 V161E106-M110 WeakPolarHBondContact O-CG 3.41Å; E106-M110 PolarHBondContact O-N 3.19Å; I107-M110 HydrophobicContact CD1-CE 3.85Å; M110-N114 WeakPolarHBondContact O-CB 3.31Å; M110-N114 PolarHBondContact O-N 3.23Å; M110-N114 VanDerWaalsContact O-N 3.16Å; M110-V129 HydrophobicContact CB-CG1 4.05Å; M110-V129 HydrophobicContact CG-CG1 3.94Å; M110-I130 HydrophobicContact SD-CB 4.42Å; M110-I130 HydrophobicContact SD-CG1 3.86Å; M110-F133 HydrophobicContact CE-CB 4.46Å; M110-F133 HydrophobicContact CG-CB 3.96Å; M110-F133 HydrophobicContact CG-CD1 3.56Å; M110-F133 HydrophobicContact CG-CD2 3.4Å; M110-F133 HydrophobicContact CG-CE1 3.81Å; M110-F133 HydrophobicContact CG-CE2 3.65Å; M110-F133 HydrophobicContact CG-CG 3.34Å; M110-F133 HydrophobicContact CG-CZ 3.85Å; M110-F133 HydrophobicContact SD-CB 3.68Å; M110-F133 HydrophobicContact SD-CD1 4.26Å; M110-F133 HydrophobicContact SD-CD2 4.19Å; M110-F133 HydrophobicContact SD-CG 3.79Å; M110-T157 HydrophobicContact CE-CG2 4.25Å; M110-V161 HydrophobicContact CB-CG1 4.15Å; M110-V161 HydrophobicContact CB-CG2 3.79Å; M110-V161 HydrophobicContact CE-CG2 3.99Å; M110-V161 HydrophobicContact SD-CG2 4.06Å
111A98.2Very high96.3Very high0 Ų030.3 Ų30.30%015%0.149CC..Hα-helixtrans-69.8-45.1176.300000112.5I107 V108 A109 N114 L115 V161 A164 E165I107-A111 PolarHBondContact O-N 3.42Å; V108-A111 CarbonylContact O-C 3.52Å; V108-A111 WeakPolarHBondContact O-CB 3.43Å; V108-A111 PolarHBondContact O-N 2.92Å; V108-A111 VanDerWaalsContact O-N 3.11Å; A109-A111 VanDerWaalsContact C-N 3.3Å; A109-A111 PolarHBondContact O-N 3.21Å; A111-N114 PolarHBondContact O-N 3.24Å; A111-L115 VanDerWaalsContact O-CB 3.23Å; A111-L115 WeakPolarHBondContact O-CB 3.36Å; A111-L115 PolarHBondContact O-N 2.94Å; A111-V161 HydrophobicContact CB-CG1 4.5Å; A111-A164 HydrophobicContact CB-CB 3.79Å; A111-E165 HydrophobicContact CB-CB 4.16Å
112C98.1Very high96.3Very high0 Ų031 Ų310%016%0.155CC..Hα-helixtrans-63.6-42.6179.6-700000112.1I70 F91 V108 A109 L115 A116I70-C112 HydrophobicContact CD1-CB 4.38Å; F91-C112 HydrophobicContact CB-CB 4.35Å; V108-C112 PolarHBondContact O-N 2.86Å; V108-C112 PolarHBondContact O-SG 3.4Å; V108-C112 VanDerWaalsContact O-SG 3.34Å; A109-C112 PolarHBondContact O-N 3.48Å; C112-L115 PolarHBondContact O-N 2.98Å; C112-A116 VanDerWaalsContact O-CB 3.26Å; C112-A116 WeakPolarHBondContact O-CB 3.32Å; C112-A116 PolarHBondContact O-N 3.23Å
113I97.8Very high96.5Very high1 Ų129.6 Ų29.61%0.00516%0.157CC..Hα-helixtrans-71.8-35.7178.1-160.6171.8000112.5I70 A73 L77 L79 A109 S117 V129 F133I70-I113 HydrophobicContact CG2-CB 4.42Å; I70-I113 HydrophobicContact CG2-CD1 4.24Å; I70-I113 HydrophobicContact CG2-CG1 4.37Å; I70-I113 WeakPolarHBondContact O-CD1 3.3Å; A73-I113 HydrophobicContact CB-CD1 3.82Å; L77-I113 HydrophobicContact CD1-CD1 4.07Å; L79-I113 HydrophobicContact CD1-CD1 3.98Å; L79-I113 HydrophobicContact CD1-CG1 3.7Å; A109-I113 WeakPolarHBondContact O-CG2 3.34Å; A109-I113 PolarHBondContact O-N 3.03Å; I113-S117 WeakPolarHBondContact O-CB 3.43Å; I113-S117 PolarHBondContact O-N 2.85Å; I113-V129 HydrophobicContact CG2-CG1 3.78Å; I113-F133 HydrophobicContact CG2-CE2 4.15Å
114N97.7Very high96.6Very high6 Ų632.5 Ų32.53%0.03217%0.167CC..Hα-helixtrans-65.4-41.4173.8-170.787.7000111.2M110 A111 S117 K118 I126 V129 E165M110-N114 WeakPolarHBondContact O-CB 3.31Å; M110-N114 PolarHBondContact O-N 3.23Å; M110-N114 VanDerWaalsContact O-N 3.16Å; A111-N114 PolarHBondContact O-N 3.24Å; N114-S117 PolarHBondContact O-OG 3.4Å; N114-K118 WeakPolarHBondContact O-CE 3.38Å; N114-I126 WeakPolarHBondContact OD1-CG1 3.49Å; N114-V129 HydrophobicContact CB-CG2 4.44Å; N114-E165 PolarHBondContact ND2-OE1 2.67Å
115L97.8Very high96.7Very high8 Ų838.5 Ų38.54%0.04218%0.179CC..Hα-helixtrans-65.6-51.1175.7179.254.9000111.7L90 A111 C112 S117 K118 I119 E165 V168 L169 V176L90-L115 HydrophobicContact CD1-CD2 4.26Å; L90-L115 HydrophobicContact CD1-CG 4.29Å; A111-L115 VanDerWaalsContact O-CB 3.23Å; A111-L115 WeakPolarHBondContact O-CB 3.36Å; A111-L115 PolarHBondContact O-N 2.94Å; C112-L115 PolarHBondContact O-N 2.98Å; L115-S117 VanDerWaalsContact C-N 3.29Å; L115-S117 PolarHBondContact O-N 3.29Å; L115-K118 WeakPolarHBondContact O-CB 3.16Å; L115-K118 PolarHBondContact O-N 2.79Å; L115-I119 HydrophobicContact CD1-CD1 4.05Å; L115-I119 HydrophobicContact CD1-CG1 4.4Å; L115-I119 HydrophobicContact CG-CD1 3.82Å; L115-I119 PolarHBondContact O-N 3.48Å; L115-I119 VanDerWaalsContact O-N 3.11Å; L115-E165 HydrophobicContact CB-CG 4.38Å; L115-V168 HydrophobicContact CD2-CB 4.28Å; L115-V168 HydrophobicContact CD2-CG1 3.76Å; L115-L169 HydrophobicContact CD1-CD1 4.39Å; L115-L169 HydrophobicContact CD1-CD2 4.02Å; L115-L169 HydrophobicContact CD1-CG 4.26Å; L115-L169 HydrophobicContact CD2-CD2 4.14Å; L115-L169 HydrophobicContact CD2-CG 4.07Å; L115-V176 HydrophobicContact CD2-CG1 4.43Å
116A97.7Very high96.8Very high0 Ų039.8 Ų39.80%019%0.185CC..Hα-helixtrans-59.8-36.8177.500000112.6A83 T86 L90 C112 K118 I119 E120A83-A116 VanDerWaalsContact O-CB 3.3Å; A83-A116 WeakPolarHBondContact O-CB 3.45Å; T86-A116 HydrophobicContact CG2-CB 3.88Å; L90-A116 HydrophobicContact CD1-CB 4.4Å; C112-A116 VanDerWaalsContact O-CB 3.26Å; C112-A116 WeakPolarHBondContact O-CB 3.32Å; C112-A116 PolarHBondContact O-N 3.23Å; A116-K118 PolarHBondContact O-N 3.47Å; A116-I119 PolarHBondContact O-N 3.07Å; A116-I119 VanDerWaalsContact O-N 3.13Å; A116-E120 PolarHBondContact O-N 2.86Å
117S97.5Very high96.8Very high1 Ų144.2 Ų44.21%0.00720%0.201CC..Hα-helixtrans-60.2-26.8174.579.10000113.4I113 N114 L115 A122 P123 R124I113-S117 WeakPolarHBondContact O-CB 3.43Å; I113-S117 PolarHBondContact O-N 2.85Å; N114-S117 PolarHBondContact O-OG 3.4Å; L115-S117 VanDerWaalsContact C-N 3.29Å; L115-S117 PolarHBondContact O-N 3.29Å; S117-A122 CarbonylContact O-C 3.58Å; S117-A122 WeakPolarHBondContact O-CA 3.2Å; S117-A122 PolarHBondContact O-N 3.47Å; S117-P123 VanDerWaalsContact O-CA 3.3Å; S117-P123 WeakPolarHBondContact O-CA 3.24Å; S117-R124 PolarHBondContact OG-N 2.92Å
118K97Very high96.8Very high82 Ų8245.8 Ų45.836%0.35721%0.21SC..Hα-helixtrans-86-32.9174.6-66.8175.5-71.2174.80112.8N114 L115 A116 E121 P123 E165N114-K118 WeakPolarHBondContact O-CE 3.38Å; L115-K118 WeakPolarHBondContact O-CB 3.16Å; L115-K118 PolarHBondContact O-N 2.79Å; A116-K118 PolarHBondContact O-N 3.47Å; K118-E121 PolarHBondContact O-N 2.88Å; K118-P123 HydrophobicContact CG-CB 4.21Å; K118-E165 VanDerWaalsContact CE-OE1 3.25Å; K118-E165 WeakPolarHBondContact CE-OE1 3.44Å; K118-E165 IonicContact NZ-OE1 2.63Å; K118-E165 PolarHBondContact NZ-OE1 2.89Å; K118-E165 IonicContact NZ-OE2 3.1Å; K118-E165 PolarHBondContact NZ-OE2 2.68Å
119I95.8Very high96.8Very high50 Ų5045.7 Ų45.726%0.25621%0.209SC..Hα-helixtrans-67.7-41.1179.1-66.8161.6000110.8T86 L90 L115 A116 E121 V176T86-I119 HydrophobicContact CG2-CD1 4.41Å; T86-I119 HydrophobicContact CG2-CG2 4.4Å; L90-I119 HydrophobicContact CD1-CD1 3.81Å; L115-I119 HydrophobicContact CD1-CD1 4.05Å; L115-I119 HydrophobicContact CD1-CG1 4.4Å; L115-I119 HydrophobicContact CG-CD1 3.82Å; L115-I119 PolarHBondContact O-N 3.48Å; L115-I119 VanDerWaalsContact O-N 3.11Å; A116-I119 PolarHBondContact O-N 3.07Å; A116-I119 VanDerWaalsContact O-N 3.13Å; I119-E121 VanDerWaalsContact C-N 3.27Å; I119-E121 PolarHBondContact O-N 3.32Å; I119-V176 HydrophobicContact CD1-CB 3.66Å; I119-V176 HydrophobicContact CD1-CG1 4.47Å; I119-V176 HydrophobicContact CD1-CG2 3.62Å; I119-V176 HydrophobicContact CG1-CG2 4.05Å
120E95.6Very high96.7Very high58 Ų5846 Ų4627%0.27121%0.211SC..THydrogen-bonded Turntrans-90.124.9178.5-49.3-56.3151.400113.3V82 A83 T86 A116 A122V82-E120 HydrophobicContact CG1-CG 4.32Å; V82-E120 WeakPolarHBondContact CG1-OE2 3.45Å; A83-E120 HydrophobicContact CB-CB 3.96Å; A83-E120 HydrophobicContact CB-CG 3.73Å; T86-E120 WeakPolarHBondContact CB-OE1 3.49Å; T86-E120 WeakPolarHBondContact CG2-OE1 3.3Å; T86-E120 PolarHBondContact OG1-OE1 3.22Å; A116-E120 PolarHBondContact O-N 2.86Å; E120-A122 PolarHBondContact O-N 2.91Å
121E94.8Very high96.5Very high166 Ų16648.1 Ų48.178%0.77622%0.222SC*.THydrogen-bonded Turntrans48.728.7178.7-64.9-60.3157.500115.7K118 I119 P123K118-E121 PolarHBondContact O-N 2.88Å; I119-E121 VanDerWaalsContact C-N 3.27Å; I119-E121 PolarHBondContact O-N 3.32Å; E121-P123 WeakPolarHBondContact O-CD 3.35Å
122A96.1Very high96.4Very high17 Ų1749.1 Ų49.114%0.1423%0.228CC..  trans-119.446.6-179.600000112.9L79 P80 S117 E120 R124L79-A122 HydrophobicContact CD2-CB 4.16Å; L79-A122 VanDerWaalsContact CD2-O 3.31Å; L79-A122 WeakPolarHBondContact CD2-O 3.47Å; P80-A122 HydrophobicContact CG-CB 4.19Å; S117-A122 CarbonylContact O-C 3.58Å; S117-A122 WeakPolarHBondContact O-CA 3.2Å; S117-A122 PolarHBondContact O-N 3.47Å; E120-A122 PolarHBondContact O-N 2.91Å; A122-R124 PolarHBondContact O-NH1 2.86Å
123P96.4Very high96.2Very high76 Ų7649.4 Ų49.449%0.49423%0.23SC..  trans-61.5147.7-163.223.6-35.2000113.7S117 K118 E121S117-P123 VanDerWaalsContact O-CA 3.3Å; S117-P123 WeakPolarHBondContact O-CA 3.24Å; K118-P123 HydrophobicContact CG-CB 4.21Å; E121-P123 WeakPolarHBondContact O-CD 3.35Å
124R96.3Very high96Very high84 Ų8452.1 Ų52.132%0.31724%0.242SC..  trans-123.2156.4173.4-61.9-67.6175.9-94.11.1110.1L77 R78 L79 S117 A122 V129L77-R124 HydrophobicContact CB-CG 4.4Å; L77-R124 PolarHBondContact O-NE 3.36Å; R78-R124 PolarHBondContact O-NH2 3.48Å; L79-R124 HydrophobicContact CD2-CG 3.78Å; L79-R124 HydrophobicContact CG-CG 4.34Å; S117-R124 PolarHBondContact OG-N 2.92Å; A122-R124 PolarHBondContact O-NH1 2.86Å; R124-V129 HydrophobicContact CB-CG2 4.44Å
125R95.6Very high95.7Very high196 Ų19654.9 Ų54.974%0.7426%0.255SS*.  trans-79.5138.2177.9-52.3172.8168179.6-4.2108.6R127 D128 V129R125-R127 PolarHBondContact O-N 3.43Å; R125-D128 VanDerWaalsContact CB-OD2 3.27Å; R125-D128 WeakPolarHBondContact CB-OD2 3.31Å; R125-D128 WeakPolarHBondContact O-CA 3.3Å; R125-D128 WeakPolarHBondContact O-CB 3.44Å; R125-D128 PolarHBondContact O-N 3.03Å; R125-V129 PolarHBondContact O-N 3.32Å
126I95.7Very high95.4Very high36 Ų3655.4 Ų55.419%0.18526%0.257CS..Hα-helixtrans-52.8-33177.3-63.9165.6000112N114 D128 V129 I130 K158 V161 I162N114-I126 WeakPolarHBondContact OD1-CG1 3.49Å; I126-D128 VanDerWaalsContact C-N 3.33Å; I126-D128 PolarHBondContact O-N 3.06Å; I126-V129 PolarHBondContact O-N 3.1Å; I126-I130 HydrophobicContact CG2-CD1 3.76Å; I126-I130 HydrophobicContact CG2-CG1 4.39Å; I126-I130 VanDerWaalsContact O-CG1 3.28Å; I126-I130 WeakPolarHBondContact O-CG1 3.39Å; I126-I130 PolarHBondContact O-N 3.07Å; I126-K158 HydrophobicContact CG2-CG 4.12Å; I126-V161 HydrophobicContact CG2-CG1 4.36Å; I126-I162 HydrophobicContact CD1-CD1 4.15Å; I126-I162 HydrophobicContact CD1-CG1 3.76Å
127R95.3Very high95Very high113 Ų11361.6 Ų61.643%0.42628%0.281SS..Hα-helixtrans-60-42.2174-179.2174.2177.1170.7-4.8112.2R125 I130 N131 Y154R125-R127 PolarHBondContact O-N 3.43Å; R127-I130 PolarHBondContact O-N 3.1Å; R127-N131 WeakPolarHBondContact O-CB 3.25Å; R127-N131 PolarHBondContact O-N 3.34Å; R127-N131 PolarHBondContact O-ND2 3.06Å; R127-N131 PolarHBondContact O-OD1 3.45Å; R127-Y154 HydrophobicContact CG-CE2 4.49Å
128D95.7Very high94.4Very high55 Ų5562.3 Ų62.329%0.29428%0.284SS..Hα-helixtrans-72.3-37.8-175.8-49-27.1000109.9L77 R125 I126 N131 V132L77-D128 HydrophobicContact CD2-CB 4.07Å; R125-D128 VanDerWaalsContact CB-OD2 3.27Å; R125-D128 WeakPolarHBondContact CB-OD2 3.31Å; R125-D128 WeakPolarHBondContact O-CA 3.3Å; R125-D128 WeakPolarHBondContact O-CB 3.44Å; R125-D128 PolarHBondContact O-N 3.03Å; I126-D128 VanDerWaalsContact C-N 3.33Å; I126-D128 PolarHBondContact O-N 3.06Å; D128-N131 WeakPolarHBondContact O-CB 3.47Å; D128-N131 PolarHBondContact O-N 2.96Å; D128-V132 WeakPolarHBondContact O-CB 3.44Å; D128-V132 WeakPolarHBondContact O-CG2 3.2Å; D128-V132 PolarHBondContact O-N 3Å
129V96.9Very high93.8Very high1 Ų163.2 Ų63.21%0.00629%0.292CS..Hα-helixtrans-58.3-48.9170.5-178.50000111L77 M110 I113 N114 R124 R125 I126 V132 F133L77-V129 HydrophobicContact CD1-CG2 3.96Å; L77-V129 HydrophobicContact CD2-CG2 4.5Å; M110-V129 HydrophobicContact CB-CG1 4.05Å; M110-V129 HydrophobicContact CG-CG1 3.94Å; I113-V129 HydrophobicContact CG2-CG1 3.78Å; N114-V129 HydrophobicContact CB-CG2 4.44Å; R124-V129 HydrophobicContact CB-CG2 4.44Å; R125-V129 PolarHBondContact O-N 3.32Å; I126-V129 PolarHBondContact O-N 3.1Å; V129-V132 PolarHBondContact O-N 3.39Å; V129-F133 HydrophobicContact CG1-CD2 4.19Å; V129-F133 HydrophobicContact CG1-CE2 4.27Å; V129-F133 WeakPolarHBondContact O-CD2 3.21Å; V129-F133 PolarHBondContact O-N 3.48Å
130I96.1Very high93.2Very high8 Ų864.9 Ų64.94%0.04130%0.295CS..Hα-helixtrans-66.9-39.8179.4-63165000111.5M110 I126 R127 V132 F133 H134 L148 Y154 T157 K158M110-I130 HydrophobicContact SD-CB 4.42Å; M110-I130 HydrophobicContact SD-CG1 3.86Å; I126-I130 HydrophobicContact CG2-CD1 3.76Å; I126-I130 HydrophobicContact CG2-CG1 4.39Å; I126-I130 VanDerWaalsContact O-CG1 3.28Å; I126-I130 WeakPolarHBondContact O-CG1 3.39Å; I126-I130 PolarHBondContact O-N 3.07Å; R127-I130 PolarHBondContact O-N 3.1Å; I130-V132 VanDerWaalsContact C-N 3.29Å; I130-V132 PolarHBondContact O-N 3.47Å; I130-F133 PolarHBondContact O-N 2.84Å; I130-H134 VanDerWaalsContact O-CB 3.27Å; I130-H134 WeakPolarHBondContact O-CB 3.44Å; I130-H134 PolarHBondContact O-N 3.4Å; I130-L148 HydrophobicContact CG2-CD2 3.79Å; I130-Y154 HydrophobicContact CD1-CD2 4.45Å; I130-Y154 HydrophobicContact CD1-CE2 4.03Å; I130-Y154 HydrophobicContact CG2-CD2 4.14Å; I130-Y154 HydrophobicContact CG2-CE2 4.35Å; I130-T157 HydrophobicContact CD1-CG2 4.49Å; I130-T157 HydrophobicContact CG2-CG2 4.3Å; I130-K158 HydrophobicContact CD1-CB 3.89Å; I130-K158 HydrophobicContact CD1-CG 4.44Å
131N94.9Very high92.3Very high52 Ų5264 Ų6428%0.27830%0.301SS..Hα-helixtrans-55.9-45172.9-71.6-20.9000111.2R127 D128 H134 H135 L148R127-N131 WeakPolarHBondContact O-CB 3.25Å; R127-N131 PolarHBondContact O-N 3.34Å; R127-N131 PolarHBondContact O-ND2 3.06Å; R127-N131 PolarHBondContact O-OD1 3.45Å; D128-N131 WeakPolarHBondContact O-CB 3.47Å; D128-N131 PolarHBondContact O-N 2.96Å; N131-H134 PolarHBondContact O-N 3.49Å; N131-H135 PolarHBondContact O-N 2.96Å; N131-L148 WeakPolarHBondContact OD1-CD2 3.41Å
132V95.3Very high91.3Very high21 Ų2165.5 Ų65.513%0.12731%0.305CS..Hα-helixtrans-68.4-44.1-178.6163.70000111.7A73 L76 L77 D128 V129 I130 H134 H135 L136A73-V132 HydrophobicContact CB-CG1 3.72Å; L76-V132 HydrophobicContact CB-CG1 3.77Å; L76-V132 HydrophobicContact CB-CG2 4.04Å; L76-V132 HydrophobicContact CD1-CG1 3.89Å; L76-V132 HydrophobicContact CG-CG1 4.49Å; L77-V132 HydrophobicContact CD2-CB 4.42Å; L77-V132 HydrophobicContact CD2-CG2 3.85Å; L77-V132 HydrophobicContact CG-CB 4.41Å; L77-V132 HydrophobicContact CG-CG1 4.44Å; L77-V132 HydrophobicContact CG-CG2 4.06Å; D128-V132 WeakPolarHBondContact O-CB 3.44Å; D128-V132 WeakPolarHBondContact O-CG2 3.2Å; D128-V132 PolarHBondContact O-N 3Å; V129-V132 PolarHBondContact O-N 3.39Å; I130-V132 VanDerWaalsContact C-N 3.29Å; I130-V132 PolarHBondContact O-N 3.47Å; V132-H134 PolarHBondContact O-N 2.97Å; V132-H135 PolarHBondContact O-N 2.85Å; V132-L136 HydrophobicContact CG1-CD1 4.11Å; V132-L136 WeakPolarHBondContact O-CG 3.23Å; V132-L136 PolarHBondContact O-N 3.22Å
133F94.8Very high90.3Very high7 Ų772 Ų723%0.03133%0.33CS..Hα-helixtrans-65.7-37.3175.1-88.1-107.5000112.5L69 A73 A109 M110 I113 V129 I130 H135 L136 R137L69-F133 HydrophobicContact CB-CE1 4.22Å; A73-F133 HydrophobicContact CB-CD2 3.92Å; A73-F133 HydrophobicContact CB-CE2 3.34Å; A73-F133 HydrophobicContact CB-CZ 4.02Å; A109-F133 HydrophobicContact CB-CE1 3.8Å; A109-F133 HydrophobicContact CB-CZ 3.85Å; M110-F133 HydrophobicContact CE-CB 4.46Å; M110-F133 HydrophobicContact CG-CB 3.96Å; M110-F133 HydrophobicContact CG-CD1 3.56Å; M110-F133 HydrophobicContact CG-CD2 3.4Å; M110-F133 HydrophobicContact CG-CE1 3.81Å; M110-F133 HydrophobicContact CG-CE2 3.65Å; M110-F133 HydrophobicContact CG-CG 3.34Å; M110-F133 HydrophobicContact CG-CZ 3.85Å; M110-F133 HydrophobicContact SD-CB 3.68Å; M110-F133 HydrophobicContact SD-CD1 4.26Å; M110-F133 HydrophobicContact SD-CD2 4.19Å; M110-F133 HydrophobicContact SD-CG 3.79Å; I113-F133 HydrophobicContact CG2-CE2 4.15Å; V129-F133 HydrophobicContact CG1-CD2 4.19Å; V129-F133 HydrophobicContact CG1-CE2 4.27Å; V129-F133 WeakPolarHBondContact O-CD2 3.21Å; V129-F133 PolarHBondContact O-N 3.48Å; I130-F133 PolarHBondContact O-N 2.84Å; F133-H135 PolarHBondContact O-N 3.09Å; F133-L136 PolarHBondContact O-N 2.93Å; F133-R137 WeakPolarHBondContact O-CB 3.49Å; F133-R137 PolarHBondContact O-N 3.46Å
134H92.4Very high89.2Confident57 Ų5774.3 Ų74.326%0.26434%0.343SS..Hα-helixtrans-58.9-45.6171.9-178.8-110.2000111.5I130 N131 V132 R137 Q138 S146 L148I130-H134 VanDerWaalsContact O-CB 3.27Å; I130-H134 WeakPolarHBondContact O-CB 3.44Å; I130-H134 PolarHBondContact O-N 3.4Å; N131-H134 PolarHBondContact O-N 3.49Å; V132-H134 PolarHBondContact O-N 2.97Å; H134-R137 PolarHBondContact O-N 3.49Å; H134-Q138 PolarHBondContact CE1-NE2 3.44Å; H134-Q138 PolarHBondContact ND1-NE2 3.39Å; H134-Q138 WeakPolarHBondContact O-CG 3.42Å; H134-Q138 PolarHBondContact O-N 3.29Å; H134-Q138 VanDerWaalsContact O-N 3.08Å; H134-S146 PolarHBondContact CE1-O 3.36Å; H134-L148 HydrophobicContact CB-CD1 4.16Å
135H91.6Very high88.1Confident65 Ų6574.8 Ų74.830%0.30136%0.358SS..Hα-helixtrans-64.4-45.3176.4-176.152.8000112.7N131 V132 F133 R137 Q138 L139N131-H135 PolarHBondContact O-N 2.96Å; V132-H135 PolarHBondContact O-N 2.85Å; F133-H135 PolarHBondContact O-N 3.09Å; H135-R137 VanDerWaalsContact C-N 3.26Å; H135-R137 PolarHBondContact O-N 3.48Å; H135-Q138 WeakPolarHBondContact O-CB 3.46Å; H135-Q138 PolarHBondContact O-N 2.97Å; H135-Q138 VanDerWaalsContact O-N 3.13Å; H135-L139 WeakPolarHBondContact O-CG 3.42Å; H135-L139 PolarHBondContact O-N 3.24Å
136L91.6Very high87.3Confident18 Ų1868.5 Ų68.59%0.09434%0.344CS..Hα-helixtrans-58.3-38175.1-72.2170.6000112.2A72 A73 L76 V132 F133 R140A72-L136 HydrophobicContact CB-CD1 4.22Å; A72-L136 HydrophobicContact CB-CD2 3.91Å; A73-L136 HydrophobicContact CB-CD1 3.9Å; L76-L136 HydrophobicContact CD1-CD1 4.46Å; L76-L136 HydrophobicContact CD1-CD2 3.75Å; L76-L136 HydrophobicContact CD1-CG 3.97Å; V132-L136 HydrophobicContact CG1-CD1 4.11Å; V132-L136 WeakPolarHBondContact O-CG 3.23Å; V132-L136 PolarHBondContact O-N 3.22Å; F133-L136 PolarHBondContact O-N 2.93Å; L136-R140 WeakPolarHBondContact O-CB 3.46Å; L136-R140 WeakPolarHBondContact O-CD 3.36Å; L136-R140 WeakPolarHBondContact O-CG 3.39Å; L136-R140 PolarHBondContact O-N 3.25Å; L136-R140 VanDerWaalsContact O-N 3.08Å
137R88.6Confident86.5Confident131 Ų13172.2 Ų72.249%0.49437%0.37SS..Hα-helixtrans-68-37.2176.1-163.6173.6-168.5-157.36.5112.4E106 F133 H134 H135 G141 E280E106-R137 IonicContact OE2-NE 3.57Å; F133-R137 WeakPolarHBondContact O-CB 3.49Å; F133-R137 PolarHBondContact O-N 3.46Å; H134-R137 PolarHBondContact O-N 3.49Å; H135-R137 VanDerWaalsContact C-N 3.26Å; H135-R137 PolarHBondContact O-N 3.48Å; R137-G141 PolarHBondContact O-N 2.68Å; R137-G141 VanDerWaalsContact O-N 3.08Å; R137-E280 IonicContact NH2-OE1 2.7Å
138Q86.6Confident86Confident16 Ų1668.5 Ų68.58%0.07536%0.358CS..Hα-helixtrans-65.8-48.2174.1-70.3168.7-18.500112.3H134 H135 R140 G141 K142 K143 S146H134-Q138 PolarHBondContact CE1-NE2 3.44Å; H134-Q138 PolarHBondContact ND1-NE2 3.39Å; H134-Q138 WeakPolarHBondContact O-CG 3.42Å; H134-Q138 PolarHBondContact O-N 3.29Å; H134-Q138 VanDerWaalsContact O-N 3.08Å; H135-Q138 WeakPolarHBondContact O-CB 3.46Å; H135-Q138 PolarHBondContact O-N 2.97Å; H135-Q138 VanDerWaalsContact O-N 3.13Å; Q138-R140 PolarHBondContact O-N 2.91Å; Q138-G141 CarbonylContact O-C 3.55Å; Q138-G141 PolarHBondContact O-N 3.19Å; Q138-G141 VanDerWaalsContact O-N 3.16Å; Q138-K142 PolarHBondContact O-N 2.76Å; Q138-K143 PolarHBondContact O-N 2.89Å; Q138-S146 VanDerWaalsContact NE2-N 3.13Å; Q138-S146 PolarHBondContact NE2-O 2.75Å; Q138-S146 PolarHBondContact NE2-OG 2.89Å
139L84.7Confident85.4Confident100 Ų10072 Ų7252%0.52438%0.376SS..Hα-helixtrans-56.8-48.1177.6-70.5175.3000111.2H135 G141 K142H135-L139 WeakPolarHBondContact O-CG 3.42Å; H135-L139 PolarHBondContact O-N 3.24Å; L139-G141 VanDerWaalsContact C-N 3.35Å; L139-G141 PolarHBondContact O-N 3.41Å; L139-K142 PolarHBondContact O-N 3.45Å
140R81.6Confident85Confident85 Ų8576.1 Ų76.132%0.32140%0.398SS..Hα-helixtrans-57.2-44.9174.5-83.7161.536.9-146.3-13.1112.6E106 L136 Q138 K142 Y276E106-R140 IonicContact OE1-CZ 3.43Å; E106-R140 VanDerWaalsContact OE1-CZ 3.25Å; E106-R140 IonicContact OE1-NH1 2.71Å; E106-R140 PolarHBondContact OE1-NH1 3.36Å; E106-R140 IonicContact OE1-NH2 3.24Å; E106-R140 PolarHBondContact OE1-NH2 3Å; L136-R140 WeakPolarHBondContact O-CB 3.46Å; L136-R140 WeakPolarHBondContact O-CD 3.36Å; L136-R140 WeakPolarHBondContact O-CG 3.39Å; L136-R140 PolarHBondContact O-N 3.25Å; L136-R140 VanDerWaalsContact O-N 3.08Å; Q138-R140 PolarHBondContact O-N 2.91Å; R140-K142 PolarHBondContact O-N 3.38Å; R140-Y276 VanDerWaalsContact CZ-CD2 3.45Å; R140-Y276 VanDerWaalsContact CZ-CE2 3.44Å; R140-Y276 VanDerWaalsContact NH2-CE1 3.25Å
141G76.4Confident84.7Confident39 Ų3978.5 Ų78.540%0.40241%0.41SS..THydrogen-bonded Turntrans-77.25.5179.800000115.4R137 Q138 L139 K143R137-G141 PolarHBondContact O-N 2.68Å; R137-G141 VanDerWaalsContact O-N 3.08Å; Q138-G141 CarbonylContact O-C 3.55Å; Q138-G141 PolarHBondContact O-N 3.19Å; Q138-G141 VanDerWaalsContact O-N 3.16Å; L139-G141 VanDerWaalsContact C-N 3.35Å; L139-G141 PolarHBondContact O-N 3.41Å; G141-K143 WeakPolarHBondContact O-CG 3.35Å; G141-K143 PolarHBondContact O-N 3.01Å; G141-K143 VanDerWaalsContact O-N 3.09Å
142K74.9Confident84.6Confident198 Ų19881.4 Ų81.486%0.86142%0.422SS*.THydrogen-bonded Turntrans51.826.5-172.9-58.2-178.3179.7178.80114Q138 L139 R140Q138-K142 PolarHBondContact O-N 2.76Å; L139-K142 PolarHBondContact O-N 3.45Å; R140-K142 PolarHBondContact O-N 3.38Å
143K74.8Confident84.4Confident153 Ų15385.3 Ų85.367%0.66544%0.442SS*.  trans-85.3150.5-179.2-61-169.3178.6-176.90110.1Q138 G141Q138-K143 PolarHBondContact O-N 2.89Å; G141-K143 WeakPolarHBondContact O-CG 3.35Å; G141-K143 PolarHBondContact O-N 3.01Å; G141-K143 VanDerWaalsContact O-N 3.09Å
144T72.6Confident84.3Confident125 Ų12586.3 Ų86.377%0.76745%0.446SS*.  trans-57.6133.3168.842.80000109.4S146T144-S146 PolarHBondContact O-N 3.09Å
145P73.3Confident84.4Confident95 Ų9587 Ų8762%0.61745%0.451SS*.  trans-72.2106.3-174.727.4-33.6000110.4
146S79.1Confident84.6Confident64 Ų6487.1 Ų87.145%0.44845%0.454SS..  trans-98.7147.6176.964.80000112.1H134 Q138 T144H134-S146 PolarHBondContact CE1-O 3.36Å; Q138-S146 VanDerWaalsContact NE2-N 3.13Å; Q138-S146 PolarHBondContact NE2-O 2.75Å; Q138-S146 PolarHBondContact NE2-OG 2.89Å; T144-S146 PolarHBondContact O-N 3.09Å
147P80.2Confident84.8Confident113 Ų11388.2 Ų88.273%0.73446%0.461SS*.  trans-57.8147.1174.3-24.434.6000112.5I149P147-I149 PolarHBondContact O-N 3.03Å
148L83.4Confident85.1Confident35 Ų3585.9 Ų85.918%0.18346%0.455CS..  trans-67.9115.7171.1-179.768.3000109.8I130 N131 H134 Y154I130-L148 HydrophobicContact CG2-CD2 3.79Å; N131-L148 WeakPolarHBondContact OD1-CD2 3.41Å; H134-L148 HydrophobicContact CB-CD1 4.16Å; L148-Y154 HydrophobicContact CD2-CD2 3.76Å; L148-Y154 HydrophobicContact CD2-CE2 4.14Å
149I83.6Confident85.6Confident128 Ų12888.6 Ų88.666%0.65647%0.47SS*.  trans-72.8134.9174.1-54.6176.4000108.6P147 D151P147-I149 PolarHBondContact O-N 3.03Å; I149-D151 HydrophobicContact CG2-CB 4.09Å; I149-D151 PolarHBondContact O-N 3.35Å; I149-D151 VanDerWaalsContact O-N 3.1Å
150L89.1Confident86.2Confident89 Ų8988.6 Ų88.647%0.46647%0.467SS..  trans-88.353.2-178.6-56.6179.6000111.6Y154L150-Y154 HydrophobicContact CB-CD1 4.25Å; L150-Y154 HydrophobicContact CD2-CD1 3.81Å; L150-Y154 HydrophobicContact CD2-CE1 3.77Å; L150-Y154 HydrophobicContact CD2-CG 4.21Å
151D89.3Confident87Confident58 Ų5884.6 Ų84.631%0.3145%0.452SS..SBendtrans-87.1-172.5-176.475.1-19.7000113I149 N153 Y154 I155I149-D151 HydrophobicContact CG2-CB 4.09Å; I149-D151 PolarHBondContact O-N 3.35Å; I149-D151 VanDerWaalsContact O-N 3.1Å; D151-N153 VanDerWaalsContact CG-N 3.33Å; D151-N153 PolarHBondContact O-N 3.22Å; D151-N153 WeakPolarHBondContact OD1-CA 3.32Å; D151-N153 WeakPolarHBondContact OD1-CB 3.18Å; D151-N153 PolarHBondContact OD1-N 3.14Å; D151-N153 WeakPolarHBondContact OD2-CB 3.21Å; D151-N153 PolarHBondContact OD2-N 3.49Å; D151-N153 PolarHBondContact OD2-ND2 3.3Å; D151-Y154 PolarHBondContact O-N 2.91Å; D151-Y154 PolarHBondContact OD1-N 3.48Å; D151-I155 WeakPolarHBondContact O-CG1 3.32Å; D151-I155 PolarHBondContact O-N 2.93Å; D151-I155 VanDerWaalsContact O-N 3.14Å
152Q92.1Very high88Confident112 Ų11284.5 Ų84.552%0.52344%0.442SS..Hα-helixtrans-63.1-28.7174.1-171.157.548.400112.3I155 N156Q152-I155 PolarHBondContact O-N 3.3Å; Q152-N156 PolarHBondContact NE2-OD1 3.44Å; Q152-N156 WeakPolarHBondContact O-CB 3.46Å; Q152-N156 PolarHBondContact O-N 3.46Å; Q152-N156 PolarHBondContact O-ND2 2.91Å; Q152-N156 PolarHBondContact O-OD1 2.95Å
153N90.6Very high89Confident103 Ų10382.1 Ų82.155%0.55143%0.432SS*.Hα-helixtrans-70.4-39176.8-61.5-58.9000111.8D151 N156 T157D151-N153 VanDerWaalsContact CG-N 3.33Å; D151-N153 PolarHBondContact O-N 3.22Å; D151-N153 WeakPolarHBondContact OD1-CA 3.32Å; D151-N153 WeakPolarHBondContact OD1-CB 3.18Å; D151-N153 PolarHBondContact OD1-N 3.14Å; D151-N153 WeakPolarHBondContact OD2-CB 3.21Å; D151-N153 PolarHBondContact OD2-N 3.49Å; D151-N153 PolarHBondContact OD2-ND2 3.3Å; N153-N156 PolarHBondContact O-N 3.16Å; N153-T157 VanDerWaalsContact O-CB 3.32Å; N153-T157 WeakPolarHBondContact O-CB 3.27Å; N153-T157 PolarHBondContact O-N 2.82Å; N153-T157 PolarHBondContact O-OG1 3.43Å
154Y93.9Very high90.1Very high28 Ų2875.6 Ų75.611%0.1141%0.406CS..Hα-helixtrans-59.5-46.1168.8164.9-109.9000111.8R127 I130 L148 L150 D151 N156 T157 K158R127-Y154 HydrophobicContact CG-CE2 4.49Å; I130-Y154 HydrophobicContact CD1-CD2 4.45Å; I130-Y154 HydrophobicContact CD1-CE2 4.03Å; I130-Y154 HydrophobicContact CG2-CD2 4.14Å; I130-Y154 HydrophobicContact CG2-CE2 4.35Å; L148-Y154 HydrophobicContact CD2-CD2 3.76Å; L148-Y154 HydrophobicContact CD2-CE2 4.14Å; L150-Y154 HydrophobicContact CB-CD1 4.25Å; L150-Y154 HydrophobicContact CD2-CD1 3.81Å; L150-Y154 HydrophobicContact CD2-CE1 3.77Å; L150-Y154 HydrophobicContact CD2-CG 4.21Å; D151-Y154 PolarHBondContact O-N 2.91Å; D151-Y154 PolarHBondContact OD1-N 3.48Å; Y154-N156 VanDerWaalsContact C-N 3.35Å; Y154-N156 PolarHBondContact O-N 3.5Å; Y154-T157 PolarHBondContact O-N 3.46Å; Y154-K158 WeakPolarHBondContact O-CB 3.49Å; Y154-K158 PolarHBondContact O-N 3.41Å
155I94.4Very high91.3Very high72 Ų7270.7 Ų70.737%0.36938%0.375SS..Hα-helixtrans-61-44.9177.2-65.5170000110.7D151 Q152 N159D151-I155 WeakPolarHBondContact O-CG1 3.32Å; D151-I155 PolarHBondContact O-N 2.93Å; D151-I155 VanDerWaalsContact O-N 3.14Å; Q152-I155 PolarHBondContact O-N 3.3Å; I155-N159 WeakPolarHBondContact O-CB 3.43Å; I155-N159 VanDerWaalsContact O-CG 3.24Å; I155-N159 PolarHBondContact O-N 3.36Å; I155-N159 PolarHBondContact O-ND2 3.29Å
156N95.4Very high92.4Very high68 Ų6874.4 Ų74.436%0.36438%0.376SS..Hα-helixtrans-61.2-46.2176.5-69.5-14.6000111.4Q152 N153 Y154 N159 Q160Q152-N156 PolarHBondContact NE2-OD1 3.44Å; Q152-N156 WeakPolarHBondContact O-CB 3.46Å; Q152-N156 PolarHBondContact O-N 3.46Å; Q152-N156 PolarHBondContact O-ND2 2.91Å; Q152-N156 PolarHBondContact O-OD1 2.95Å; N153-N156 PolarHBondContact O-N 3.16Å; Y154-N156 VanDerWaalsContact C-N 3.35Å; Y154-N156 PolarHBondContact O-N 3.5Å; N156-N159 PolarHBondContact O-N 2.99Å; N156-Q160 WeakPolarHBondContact O-CG 3.32Å; N156-Q160 PolarHBondContact O-N 2.9Å
157T95.5Very high93.3Very high40 Ų4076.4 Ų76.425%0.24537%0.374CS..Hα-helixtrans-63.2-47179.3-57.30000111.2I107 M110 I130 N153 Y154 N159 Q160 V161I107-T157 HydrophobicContact CD1-CG2 4.15Å; M110-T157 HydrophobicContact CE-CG2 4.25Å; I130-T157 HydrophobicContact CD1-CG2 4.49Å; I130-T157 HydrophobicContact CG2-CG2 4.3Å; N153-T157 VanDerWaalsContact O-CB 3.32Å; N153-T157 WeakPolarHBondContact O-CB 3.27Å; N153-T157 PolarHBondContact O-N 2.82Å; N153-T157 PolarHBondContact O-OG1 3.43Å; Y154-T157 PolarHBondContact O-N 3.46Å; T157-N159 VanDerWaalsContact C-N 3.3Å; T157-N159 PolarHBondContact O-N 2.84Å; T157-Q160 WeakPolarHBondContact O-CB 3.21Å; T157-Q160 PolarHBondContact O-N 3.46Å; T157-Q160 VanDerWaalsContact O-N 3.08Å; T157-V161 WeakPolarHBondContact O-CG2 3.32Å; T157-V161 PolarHBondContact O-N 3.02Å
158K96.1Very high94.1Very high82 Ų8271 Ų7136%0.35734%0.339SS..Hα-helixtrans-55.8-44.5173.6-179.1-172.9174-1690111.6I126 I130 Y154 V161 I162I126-K158 HydrophobicContact CG2-CG 4.12Å; I130-K158 HydrophobicContact CD1-CB 3.89Å; I130-K158 HydrophobicContact CD1-CG 4.44Å; Y154-K158 WeakPolarHBondContact O-CB 3.49Å; Y154-K158 PolarHBondContact O-N 3.41Å; K158-V161 PolarHBondContact O-N 3.05Å; K158-I162 HydrophobicContact CG-CD1 4.02Å; K158-I162 WeakPolarHBondContact O-CD1 3.33Å; K158-I162 VanDerWaalsContact O-CG1 3.28Å; K158-I162 WeakPolarHBondContact O-CG1 3.49Å; K158-I162 PolarHBondContact O-N 3.22Å
159N97.2Very high94.7Very high74 Ų7471 Ų7140%0.39634%0.339SS..Hα-helixtrans-68.5-31.7177.2-72.1-26.5000112.8I155 N156 T157 K163I155-N159 WeakPolarHBondContact O-CB 3.43Å; I155-N159 VanDerWaalsContact O-CG 3.24Å; I155-N159 PolarHBondContact O-N 3.36Å; I155-N159 PolarHBondContact O-ND2 3.29Å; N156-N159 PolarHBondContact O-N 2.99Å; T157-N159 VanDerWaalsContact C-N 3.3Å; T157-N159 PolarHBondContact O-N 2.84Å; N159-K163 WeakPolarHBondContact O-CB 3.32Å; N159-K163 VanDerWaalsContact O-CG 3.23Å; N159-K163 WeakPolarHBondContact O-CG 3.03Å; N159-K163 PolarHBondContact O-N 3.43Å; N159-K163 VanDerWaalsContact O-N 3.12Å
160Q97.1Very high95.2Very high99 Ų9972.6 Ų72.646%0.46334%0.341SS..Hα-helixtrans-68.8-45.7172.5-72.617712.900111.8I107 N156 T157 I162 K163 A164I107-Q160 HydrophobicContact CD1-CB 4.21Å; I107-Q160 HydrophobicContact CG2-CB 4.06Å; N156-Q160 WeakPolarHBondContact O-CG 3.32Å; N156-Q160 PolarHBondContact O-N 2.9Å; T157-Q160 WeakPolarHBondContact O-CB 3.21Å; T157-Q160 PolarHBondContact O-N 3.46Å; T157-Q160 VanDerWaalsContact O-N 3.08Å; Q160-I162 PolarHBondContact O-N 3.26Å; Q160-K163 PolarHBondContact O-N 3.43Å; Q160-K163 VanDerWaalsContact O-N 3.17Å; Q160-A164 WeakPolarHBondContact O-CB 3.24Å; Q160-A164 PolarHBondContact O-N 3.03Å
161V97.6Very high95.3Very high1 Ų170.8 Ų70.81%0.00633%0.33CS..Hα-helixtrans-60.4-44.1176.5174.50000111.2I107 M110 A111 I126 T157 K158 K163 A164 E165I107-V161 HydrophobicContact CD1-CG2 4.45Å; I107-V161 HydrophobicContact CG2-CG2 4.35Å; M110-V161 HydrophobicContact CB-CG1 4.15Å; M110-V161 HydrophobicContact CB-CG2 3.79Å; M110-V161 HydrophobicContact CE-CG2 3.99Å; M110-V161 HydrophobicContact SD-CG2 4.06Å; A111-V161 HydrophobicContact CB-CG1 4.5Å; I126-V161 HydrophobicContact CG2-CG1 4.36Å; T157-V161 WeakPolarHBondContact O-CG2 3.32Å; T157-V161 PolarHBondContact O-N 3.02Å; K158-V161 PolarHBondContact O-N 3.05Å; V161-K163 VanDerWaalsContact C-N 3.33Å; V161-K163 PolarHBondContact O-N 2.88Å; V161-A164 PolarHBondContact O-N 3.19Å; V161-E165 WeakPolarHBondContact O-CB 3.39Å; V161-E165 PolarHBondContact O-N 2.92Å
162I97.1Very high95.4Very high37 Ų3769 Ų6919%0.1932%0.321CS..Hα-helixtrans-62.9-37.4175.8-68.1165.5000111.9I126 K158 Q160 R166I126-I162 HydrophobicContact CD1-CD1 4.15Å; I126-I162 HydrophobicContact CD1-CG1 3.76Å; K158-I162 HydrophobicContact CG-CD1 4.02Å; K158-I162 WeakPolarHBondContact O-CD1 3.33Å; K158-I162 VanDerWaalsContact O-CG1 3.28Å; K158-I162 WeakPolarHBondContact O-CG1 3.49Å; K158-I162 PolarHBondContact O-N 3.22Å; Q160-I162 PolarHBondContact O-N 3.26Å; I162-R166 WeakPolarHBondContact O-CG 3.37Å; I162-R166 PolarHBondContact O-N 3.42Å
163K97.3Very high95.3Very high149 Ų14966 Ų6665%0.64832%0.319SS*.Hα-helixtrans-70.4-39.1175-75.2171.5-178.9-178.10111.9N159 Q160 V161 R167N159-K163 WeakPolarHBondContact O-CB 3.32Å; N159-K163 VanDerWaalsContact O-CG 3.23Å; N159-K163 WeakPolarHBondContact O-CG 3.03Å; N159-K163 PolarHBondContact O-N 3.43Å; N159-K163 VanDerWaalsContact O-N 3.12Å; Q160-K163 PolarHBondContact O-N 3.43Å; Q160-K163 VanDerWaalsContact O-N 3.17Å; V161-K163 VanDerWaalsContact C-N 3.33Å; V161-K163 PolarHBondContact O-N 2.88Å; K163-R167 PolarHBondContact O-N 3.26Å; K163-R167 VanDerWaalsContact O-N 3.13Å
164A97.6Very high95.2Very high16 Ų1667.9 Ų67.913%0.13232%0.323CS..Hα-helixtrans-67.5-40.6177.700000111.9I107 A111 Q160 V161 R166 R167 V168I107-A164 HydrophobicContact CG2-CB 3.79Å; A111-A164 HydrophobicContact CB-CB 3.79Å; Q160-A164 WeakPolarHBondContact O-CB 3.24Å; Q160-A164 PolarHBondContact O-N 3.03Å; V161-A164 PolarHBondContact O-N 3.19Å; A164-R166 PolarHBondContact O-N 2.92Å; A164-R167 CarbonylContact O-C 3.43Å; A164-R167 WeakPolarHBondContact O-CA 3.38Å; A164-R167 WeakPolarHBondContact O-CB 3.17Å; A164-R167 PolarHBondContact O-N 2.96Å; A164-V168 WeakPolarHBondContact O-CG2 3.35Å; A164-V168 PolarHBondContact O-N 3.49Å
165E97.3Very high95Very high22 Ų2269.8 Ų69.810%0.10334%0.34CS..Hα-helixtrans-58.8-48.7175.5176.5174.4-103.400112.2A111 N114 L115 K118 V161 R167 V168 L169A111-E165 HydrophobicContact CB-CB 4.16Å; N114-E165 PolarHBondContact ND2-OE1 2.67Å; L115-E165 HydrophobicContact CB-CG 4.38Å; K118-E165 VanDerWaalsContact CE-OE1 3.25Å; K118-E165 WeakPolarHBondContact CE-OE1 3.44Å; K118-E165 IonicContact NZ-OE1 2.63Å; K118-E165 PolarHBondContact NZ-OE1 2.89Å; K118-E165 IonicContact NZ-OE2 3.1Å; K118-E165 PolarHBondContact NZ-OE2 2.68Å; V161-E165 WeakPolarHBondContact O-CB 3.39Å; V161-E165 PolarHBondContact O-N 2.92Å; E165-R167 PolarHBondContact O-N 3.25Å; E165-V168 PolarHBondContact O-N 3.13Å; E165-L169 PolarHBondContact O-N 3.25Å
166R97.1Very high94.8Very high172 Ų17267.5 Ų67.565%0.64933%0.329SS*.Hα-helixtrans-60-31173.7-64.9175.4-162.9-172.82.8112.2I162 A164 K170I162-R166 WeakPolarHBondContact O-CG 3.37Å; I162-R166 PolarHBondContact O-N 3.42Å; A164-R166 PolarHBondContact O-N 2.92Å; R166-K170 WeakPolarHBondContact O-CB 3.18Å; R166-K170 PolarHBondContact O-N 2.98Å; R166-K170 VanDerWaalsContact O-N 3.1Å
167R96.5Very high94.5Very high106 Ų10668.5 Ų68.540%0.433%0.331SS..Hα-helixtrans-72.8-46.6176.2-161.4175.4-166.5154.99111.3F94 H103 K163 A164 E165 L169 K170 E171F94-R167 HydrophobicContact CE2-CG 4.19Å; H103-R167 PolarHBondContact NE2-NE 2.79Å; H103-R167 PolarHBondContact NE2-NH1 3.18Å; K163-R167 PolarHBondContact O-N 3.26Å; K163-R167 VanDerWaalsContact O-N 3.13Å; A164-R167 CarbonylContact O-C 3.43Å; A164-R167 WeakPolarHBondContact O-CA 3.38Å; A164-R167 WeakPolarHBondContact O-CB 3.17Å; A164-R167 PolarHBondContact O-N 2.96Å; E165-R167 PolarHBondContact O-N 3.25Å; R167-L169 VanDerWaalsContact C-N 3.29Å; R167-L169 PolarHBondContact O-N 2.85Å; R167-K170 PolarHBondContact O-N 2.82Å; R167-K170 VanDerWaalsContact O-N 3.1Å; R167-E171 HydrophobicContact CG-CG 3.73Å; R167-E171 IonicContact CZ-OE1 3.89Å; R167-E171 IonicContact NE-OE1 2.88Å; R167-E171 PolarHBondContact NE-OE1 2.98Å; R167-E171 IonicContact NH2-OE1 2.77Å; R167-E171 PolarHBondContact NH2-OE1 3.41Å; R167-E171 WeakPolarHBondContact O-CG 3.34Å; R167-E171 PolarHBondContact O-N 3.49Å
168V97.1Very high94.3Very high0 Ų067 Ų670%032%0.322CS..Hα-helixtrans-53.7-48.4174.5175.10000110.2F94 V108 L115 A164 E165 K170 E171 L172F94-V168 HydrophobicContact CD2-CB 4.32Å; F94-V168 HydrophobicContact CD2-CG2 3.77Å; F94-V168 HydrophobicContact CE2-CG2 4.14Å; F94-V168 HydrophobicContact CG-CG2 4.21Å; V108-V168 HydrophobicContact CG1-CG2 4.35Å; L115-V168 HydrophobicContact CD2-CB 4.28Å; L115-V168 HydrophobicContact CD2-CG1 3.76Å; A164-V168 WeakPolarHBondContact O-CG2 3.35Å; A164-V168 PolarHBondContact O-N 3.49Å; E165-V168 PolarHBondContact O-N 3.13Å; V168-K170 PolarHBondContact O-N 3.23Å; V168-E171 PolarHBondContact O-N 3.01Å; V168-L172 HydrophobicContact CG1-CD1 3.7Å; V168-L172 HydrophobicContact CG1-CG 4.35Å; V168-L172 WeakPolarHBondContact O-CB 3.33Å; V168-L172 VanDerWaalsContact O-CG 3.24Å; V168-L172 WeakPolarHBondContact O-CG 3.34Å; V168-L172 PolarHBondContact O-N 2.95Å
169L96Very high94Very high36 Ų3666.4 Ų66.419%0.18832%0.319CS..Hα-helixtrans-56.5-47.8174.9-74.4165.9000113.2L115 E165 R167 G173 F174 V176L115-L169 HydrophobicContact CD1-CD1 4.39Å; L115-L169 HydrophobicContact CD1-CD2 4.02Å; L115-L169 HydrophobicContact CD1-CG 4.26Å; L115-L169 HydrophobicContact CD2-CD2 4.14Å; L115-L169 HydrophobicContact CD2-CG 4.07Å; E165-L169 PolarHBondContact O-N 3.25Å; R167-L169 VanDerWaalsContact C-N 3.29Å; R167-L169 PolarHBondContact O-N 2.85Å; L169-G173 PolarHBondContact O-N 3.05Å; L169-F174 HydrophobicContact CB-CD1 4.2Å; L169-F174 HydrophobicContact CB-CE1 3.97Å; L169-F174 HydrophobicContact CB-CZ 4.46Å; L169-F174 HydrophobicContact CD1-CE1 4.49Å; L169-F174 HydrophobicContact CD2-CD1 3.88Å; L169-F174 HydrophobicContact CD2-CE1 4.24Å; L169-F174 HydrophobicContact CG-CE1 4.48Å; L169-F174 PolarHBondContact O-N 3.03Å; L169-V176 HydrophobicContact CD2-CG1 3.87Å
170K94.3Very high93.8Very high161 Ų16164.3 Ų64.370%0.731%0.307SS*.Hα-helixtrans-65.5-46.3-179.9-179.7175.6178.8175.70113R166 R167 V168 L172 G173R166-K170 WeakPolarHBondContact O-CB 3.18Å; R166-K170 PolarHBondContact O-N 2.98Å; R166-K170 VanDerWaalsContact O-N 3.1Å; R167-K170 PolarHBondContact O-N 2.82Å; R167-K170 VanDerWaalsContact O-N 3.1Å; V168-K170 PolarHBondContact O-N 3.23Å; K170-L172 VanDerWaalsContact C-N 3.29Å; K170-L172 PolarHBondContact O-N 2.84Å; K170-G173 PolarHBondContact O-N 2.94Å
171E92.4Very high93.6Very high50 Ų5059.6 Ų59.623%0.23429%0.285CS..Hα-helixtrans-74.9-21.9-174-52.4-74.6-174.100111.8F94 K98 R167 V168F94-E171 HydrophobicContact CD2-CB 4.33Å; F94-E171 HydrophobicContact CD2-CG 4.48Å; F94-E171 HydrophobicContact CE2-CB 4.3Å; F94-E171 HydrophobicContact CE2-CG 3.96Å; K98-E171 VanDerWaalsContact CE-OE1 3.24Å; K98-E171 WeakPolarHBondContact CE-OE1 3.22Å; K98-E171 WeakPolarHBondContact CE-OE2 3.46Å; K98-E171 HydrophobicContact CG-CG 4.26Å; K98-E171 IonicContact NZ-OE1 2.69Å; K98-E171 IonicContact NZ-OE2 2.92Å; K98-E171 PolarHBondContact NZ-OE2 3.38Å; R167-E171 HydrophobicContact CG-CG 3.73Å; R167-E171 IonicContact CZ-OE1 3.89Å; R167-E171 IonicContact NE-OE1 2.88Å; R167-E171 PolarHBondContact NE-OE1 2.98Å; R167-E171 IonicContact NH2-OE1 2.77Å; R167-E171 PolarHBondContact NH2-OE1 3.41Å; R167-E171 WeakPolarHBondContact O-CG 3.34Å; R167-E171 PolarHBondContact O-N 3.49Å; V168-E171 PolarHBondContact O-N 3.01Å
172L90.8Very high93.3Very high21 Ų2160.2 Ų60.211%0.1129%0.288CS..THydrogen-bonded Turntrans-91.24.9171.5-60.4-177.5000113.7L90 R93 V168 K170 F174 C175L90-L172 HydrophobicContact CB-CD1 4.48Å; L90-L172 HydrophobicContact CD2-CD1 3.53Å; R93-L172 HydrophobicContact CB-CD2 3.49Å; R93-L172 VanDerWaalsContact CB-CD2 3.49Å; V168-L172 HydrophobicContact CG1-CD1 3.7Å; V168-L172 HydrophobicContact CG1-CG 4.35Å; V168-L172 WeakPolarHBondContact O-CB 3.33Å; V168-L172 VanDerWaalsContact O-CG 3.24Å; V168-L172 WeakPolarHBondContact O-CG 3.34Å; V168-L172 PolarHBondContact O-N 2.95Å; K170-L172 VanDerWaalsContact C-N 3.29Å; K170-L172 PolarHBondContact O-N 2.84Å; L172-F174 PolarHBondContact O-N 3.23Å; L172-F174 VanDerWaalsContact O-N 3.16Å; L172-C175 WeakPolarHBondContact O-CB 3.22Å; L172-C175 PolarHBondContact O-N 3.2Å
173G89.7Confident93.1Very high48 Ų4866.7 Ų66.750%0.49532%0.315SS..THydrogen-bonded Turntrans60.424.9-179.200000114.4L169 K170 C175L169-G173 PolarHBondContact O-N 3.05Å; K170-G173 PolarHBondContact O-N 2.94Å; G173-C175 PolarHBondContact O-N 3.33Å
174F89.5Confident92.9Very high144 Ų14460.7 Ų60.763%0.63229%0.29SS*.THydrogen-bonded Turntrans63.15.2-167.6-58.9-96.6000116L169 L172 V176L169-F174 HydrophobicContact CB-CD1 4.2Å; L169-F174 HydrophobicContact CB-CE1 3.97Å; L169-F174 HydrophobicContact CB-CZ 4.46Å; L169-F174 HydrophobicContact CD1-CE1 4.49Å; L169-F174 HydrophobicContact CD2-CD1 3.88Å; L169-F174 HydrophobicContact CD2-CE1 4.24Å; L169-F174 HydrophobicContact CG-CE1 4.48Å; L169-F174 PolarHBondContact O-N 3.03Å; L172-F174 PolarHBondContact O-N 3.23Å; L172-F174 VanDerWaalsContact O-N 3.16Å; F174-V176 PolarHBondContact O-N 2.77Å
175C88.9Confident92.7Very high67 Ų6759.9 Ų59.945%0.45328%0.283SS..  trans-74.367173.7-59.50000111.8L172 G173L172-C175 WeakPolarHBondContact O-CB 3.22Å; L172-C175 PolarHBondContact O-N 3.2Å; G173-C175 PolarHBondContact O-N 3.33Å
176V90.6Very high92.5Very high25 Ų2561.6 Ų61.615%0.15230%0.295CS..  trans-94.7-1.8-175.2-59.50000114.3L90 L115 I119 L169 F174L90-V176 HydrophobicContact CD2-CB 3.92Å; L90-V176 HydrophobicContact CD2-CG1 4.09Å; L115-V176 HydrophobicContact CD2-CG1 4.43Å; I119-V176 HydrophobicContact CD1-CB 3.66Å; I119-V176 HydrophobicContact CD1-CG1 4.47Å; I119-V176 HydrophobicContact CD1-CG2 3.62Å; I119-V176 HydrophobicContact CG1-CG2 4.05Å; L169-V176 HydrophobicContact CD2-CG1 3.87Å; F174-V176 PolarHBondContact O-N 2.77Å
177H89.3Confident92.3Very high88 Ų8858.1 Ų58.141%0.40729%0.287SS..  trans-66.9143.2173.5-174.865.8000111.2R93R93-H177 PolarHBondContact NH1-O 2.72Å
178V90.8Very high92.2Very high8 Ų853.9 Ų53.95%0.04827%0.272CS..  trans-136.9118178.6-178.10000108T86 V89 H180T86-V178 HydrophobicContact CG2-CG2 4.17Å; V89-V178 HydrophobicContact CB-CG1 4.06Å; V89-V178 HydrophobicContact CB-CG2 4.05Å; V89-V178 HydrophobicContact CG1-CG1 4Å; V89-V178 HydrophobicContact CG1-CG2 3.89Å; V89-V178 HydrophobicContact CG2-CG1 3.96Å; V178-H180 VanDerWaalsContact CG1-CE1 3.41Å; V178-H180 WeakPolarHBondContact CG1-CE1 3.37Å; V178-H180 PolarHBondContact O-CD2 2.8Å
179K91.1Very high92Very high70 Ų7054 Ų5430%0.30427%0.272SS..  trans-81.5121.6170.8-66.4-177-169.8174.10108I34 D35 N36 P222I34-K179 WeakPolarHBondContact O-CE 3.43Å; I34-K179 PolarHBondContact O-NZ 3.34Å; D35-K179 IonicContact OD1-NZ 3.24Å; D35-K179 PolarHBondContact OD1-NZ 3.21Å; D35-K179 VanDerWaalsContact OD1-NZ 3.1Å; N36-K179 HydrophobicContact CB-CB 4.38Å; N36-K179 HydrophobicContact CB-CD 4.31Å; N36-K179 HydrophobicContact CB-CG 4.44Å; K179-P222 HydrophobicContact CB-CG 3.85Å
180H91.3Very high91.7Very high30 Ų3057.6 Ų57.614%0.13929%0.288CS..  trans-101.2130.5-173-77.1-66.5000112.7A85 T86 V178 H182A85-H180 WeakPolarHBondContact CB-CE1 3.48Å; T86-H180 PolarHBondContact N-CE1 3.5Å; T86-H180 PolarHBondContact OG1-NE2 2.88Å; V178-H180 VanDerWaalsContact CG1-CE1 3.41Å; V178-H180 WeakPolarHBondContact CG1-CE1 3.37Å; V178-H180 PolarHBondContact O-CD2 2.8Å; H180-H182 PolarHBondContact O-N 3.47Å
181P92.8Very high91.6Very high0 Ų056.4 Ų56.40%028%0.283CS..THydrogen-bonded Turntrans-70.7-13.3-176.530.3-36.6000113.8K183 I184 V185 M208 F217 P222 I225 A226P181-K183 VanDerWaalsContact C-N 3.29Å; P181-K183 PolarHBondContact O-N 3.23Å; P181-I184 WeakPolarHBondContact O-CA 3.43Å; P181-I184 WeakPolarHBondContact O-CB 3.34Å; P181-I184 PolarHBondContact O-N 3.12Å; P181-V185 PolarHBondContact O-N 3.41Å; P181-M208 HydrophobicContact CB-CG 4.3Å; P181-M208 HydrophobicContact CG-CG 3.57Å; P181-M208 HydrophobicContact CG-SD 4.04Å; P181-F217 VanDerWaalsContact CD-CE1 3.45Å; P181-F217 HydrophobicContact CG-CE1 3.75Å; P181-F217 HydrophobicContact CG-CZ 3.65Å; P181-P222 HydrophobicContact CB-CB 4.18Å; P181-P222 WeakPolarHBondContact CB-O 3.44Å; P181-I225 HydrophobicContact CB-CG2 4.43Å; P181-I225 HydrophobicContact CG-CG2 4.15Å; P181-A226 HydrophobicContact CB-CB 4.11Å
182H92.6Very high91.4Very high14 Ų1455.4 Ų55.47%0.06528%0.279CS..Hα-helixtrans-48.2-46.1-178.4-55.659.2000113.3H180 W205 M208 N209H180-H182 PolarHBondContact O-N 3.47Å; H182-W205 HydrophobicContact CB-CH2 4.08Å; H182-W205 HydrophobicContact CB-CZ2 3.96Å; H182-W205 AromaticContact CD2-CE2 3.75Å; H182-W205 AromaticContact CD2-CZ2 3.7Å; H182-W205 AromaticContact CD2-NE1 3.65Å; H182-M208 HydrophobicContact CB-CE 4.23Å; H182-M208 WeakPolarHBondContact CD2-CE 3.49Å; H182-M208 PolarHBondContact CE1-SD 2.88Å; H182-M208 WeakPolarHBondContact NE2-CE 3.38Å; H182-M208 PolarHBondContact NE2-SD 2.97Å; H182-M208 VanDerWaalsContact NE2-SD 3.4Å; H182-N209 PolarHBondContact NE2-OD1 2.82Å
183K92.2Very high91.4Very high173 Ų17361.9 Ų61.975%0.75231%0.309SS*.Hα-helixtrans-74.1-34.6178.1-174.2179.5176.4-1740112P181 V186 M187P181-K183 VanDerWaalsContact C-N 3.29Å; P181-K183 PolarHBondContact O-N 3.23Å; K183-V186 PolarHBondContact O-N 3.17Å; K183-M187 WeakPolarHBondContact O-CB 3.39Å; K183-M187 PolarHBondContact O-N 3.41Å
184I93.6Very high91.3Very high23 Ų2361 Ų6112%0.11829%0.294CS..Hα-helixtrans-67.1-43.8-178.4-50.6-178.7000110.2P181 V186 M187 Y188 P222 E223 A226P181-I184 WeakPolarHBondContact O-CA 3.43Å; P181-I184 WeakPolarHBondContact O-CB 3.34Å; P181-I184 PolarHBondContact O-N 3.12Å; I184-V186 VanDerWaalsContact C-N 3.31Å; I184-V186 PolarHBondContact O-N 3.07Å; I184-M187 PolarHBondContact O-N 3.05Å; I184-M187 VanDerWaalsContact O-N 3.16Å; I184-Y188 HydrophobicContact CG2-CD1 4.03Å; I184-Y188 HydrophobicContact CG2-CD2 3.72Å; I184-Y188 HydrophobicContact CG2-CE1 3.67Å; I184-Y188 HydrophobicContact CG2-CE2 3.32Å; I184-Y188 HydrophobicContact CG2-CG 4.06Å; I184-Y188 WeakPolarHBondContact O-CB 3.29Å; I184-Y188 PolarHBondContact O-N 3.46Å; I184-P222 HydrophobicContact CD1-CB 3.94Å; I184-P222 HydrophobicContact CD1-CG 4.15Å; I184-E223 HydrophobicContact CD1-CG 4.2Å; I184-A226 HydrophobicContact CB-CB 3.89Å; I184-A226 HydrophobicContact CG2-CB 3.73Å
185V93.6Very high91.2Very high0 Ų057.5 Ų57.50%028%0.28CS..Hα-helixtrans-54.6-45175.1170.30000111.7P181 L189 A204 A226 M230P181-V185 PolarHBondContact O-N 3.41Å; V185-L189 HydrophobicContact CG1-CD1 3.88Å; V185-L189 WeakPolarHBondContact O-CB 3.2Å; V185-L189 VanDerWaalsContact O-CG 3.3Å; V185-L189 WeakPolarHBondContact O-CG 3.35Å; V185-L189 PolarHBondContact O-N 3.34Å; V185-A204 HydrophobicContact CG1-CB 3.77Å; V185-A226 HydrophobicContact CG2-CB 3.6Å; V185-M230 HydrophobicContact CG1-CG 4.04Å
186V92.3Very high91.1Very high58 Ų5862 Ų6235%0.35229%0.292SS..Hα-helixtrans-66.5-45.9177.4179.30000111.1K183 I184 Y188 L189 Q190 W205K183-V186 PolarHBondContact O-N 3.17Å; I184-V186 VanDerWaalsContact C-N 3.31Å; I184-V186 PolarHBondContact O-N 3.07Å; V186-Y188 PolarHBondContact O-N 2.89Å; V186-L189 PolarHBondContact O-N 2.94Å; V186-Q190 WeakPolarHBondContact O-CB 3.44Å; V186-Q190 PolarHBondContact O-N 3.34Å; V186-W205 HydrophobicContact CG2-CE3 4.21Å; V186-W205 HydrophobicContact CG2-CZ3 3.73Å
187M93.3Very high91.2Very high98 Ų9863.6 Ų63.648%0.48330%0.299SS..Hα-helixtrans-62.3-41.5-179.5-171.8-178.677.600112.6K183 I184 Q190 F191K183-M187 WeakPolarHBondContact O-CB 3.39Å; K183-M187 PolarHBondContact O-N 3.41Å; I184-M187 PolarHBondContact O-N 3.05Å; I184-M187 VanDerWaalsContact O-N 3.16Å; M187-Q190 PolarHBondContact O-N 3.39Å; M187-F191 PolarHBondContact O-N 3.36Å
188Y94Very high91.4Very high18 Ų1867 Ų677%0.07132%0.316CS..Hα-helixtrans-73.3-37177.4-68.4-6.7000112I184 V186 Q190 F191 L192 E223 A226 M230 F251I184-Y188 HydrophobicContact CG2-CD1 4.03Å; I184-Y188 HydrophobicContact CG2-CD2 3.72Å; I184-Y188 HydrophobicContact CG2-CE1 3.67Å; I184-Y188 HydrophobicContact CG2-CE2 3.32Å; I184-Y188 HydrophobicContact CG2-CG 4.06Å; I184-Y188 WeakPolarHBondContact O-CB 3.29Å; I184-Y188 PolarHBondContact O-N 3.46Å; V186-Y188 PolarHBondContact O-N 2.89Å; Y188-Q190 VanDerWaalsContact C-N 3.31Å; Y188-Q190 PolarHBondContact O-N 3.44Å; Y188-F191 PolarHBondContact O-N 3.38Å; Y188-L192 WeakPolarHBondContact O-CG 3.33Å; Y188-L192 PolarHBondContact O-N 2.79Å; Y188-E223 WeakPolarHBondContact OH-CB 3.35Å; Y188-E223 WeakPolarHBondContact OH-CG 3.49Å; Y188-A226 HydrophobicContact CD2-CB 4.27Å; Y188-A226 HydrophobicContact CE2-CB 4.32Å; Y188-M230 VanDerWaalsContact CB-SD 3.54Å; Y188-M230 HydrophobicContact CD2-SD 4.14Å; Y188-M230 HydrophobicContact CG-SD 4.39Å; Y188-F251 AromaticContact CD1-CD1 3.68Å; Y188-F251 HydrophobicContact CD1-CD1 3.68Å; Y188-F251 HydrophobicContact CD1-CD2 4.29Å; Y188-F251 AromaticContact CD1-CE1 3.43Å; Y188-F251 HydrophobicContact CD1-CE1 3.43Å; Y188-F251 VanDerWaalsContact CD1-CE1 3.43Å; Y188-F251 HydrophobicContact CD1-CE2 4.06Å; Y188-F251 HydrophobicContact CD1-CG 4.11Å; Y188-F251 AromaticContact CD1-CZ 3.63Å; Y188-F251 HydrophobicContact CD1-CZ 3.63Å; Y188-F251 HydrophobicContact CD2-CB 4.45Å; Y188-F251 HydrophobicContact CD2-CD1 4.33Å; Y188-F251 AromaticContact CD2-CD2 3.68Å; Y188-F251 HydrophobicContact CD2-CD2 3.68Å; Y188-F251 AromaticContact CD2-CE2 3.9Å; Y188-F251 HydrophobicContact CD2-CE2 3.9Å; Y188-F251 AromaticContact CD2-CG 3.9Å; Y188-F251 HydrophobicContact CD2-CG 3.9Å; Y188-F251 HydrophobicContact CD2-CZ 4.32Å; Y188-F251 HydrophobicContact CE1-CB 4.41Å; Y188-F251 AromaticContact CE1-CD1 3.36Å; Y188-F251 HydrophobicContact CE1-CD1 3.36Å; Y188-F251 HydrophobicContact CE1-CD2 4.44Å; Y188-F251 AromaticContact CE1-CE1 3.59Å; Y188-F251 HydrophobicContact CE1-CE1 3.59Å; Y188-F251 AromaticContact CE1-CG 3.83Å; Y188-F251 HydrophobicContact CE1-CG 3.83Å; Y188-F251 HydrophobicContact CE1-CZ 4.21Å; Y188-F251 HydrophobicContact CE2-CB 3.74Å; Y188-F251 HydrophobicContact CE2-CD1 4.06Å; Y188-F251 AromaticContact CE2-CD2 3.85Å; Y188-F251 HydrophobicContact CE2-CD2 3.85Å; Y188-F251 HydrophobicContact CE2-CE2 4.46Å; Y188-F251 AromaticContact CE2-CG 3.61Å; Y188-F251 HydrophobicContact CE2-CG 3.61Å; Y188-F251 HydrophobicContact CG-CD1 4.16Å; Y188-F251 AromaticContact CG-CD2 3.92Å; Y188-F251 HydrophobicContact CG-CD2 3.92Å; Y188-F251 AromaticContact CG-CE1 3.95Å; Y188-F251 HydrophobicContact CG-CE1 3.95Å; Y188-F251 AromaticContact CG-CE2 3.67Å; Y188-F251 HydrophobicContact CG-CE2 3.67Å; Y188-F251 HydrophobicContact CG-CG 4.15Å; Y188-F251 AromaticContact CG-CZ 3.69Å; Y188-F251 HydrophobicContact CG-CZ 3.69Å; Y188-F251 AromaticContact CZ-CD1 3.57Å; Y188-F251 AromaticContact CZ-CG 3.57Å
189L92.3Very high91.5Very high1 Ų170.9 Ų70.91%0.00534%0.339CS..Hα-helixtrans-67.1-31.7172.5-74.8169.7000112.4V185 V186 E193 C194 E195 L200 V201 A204 M230V185-L189 HydrophobicContact CG1-CD1 3.88Å; V185-L189 WeakPolarHBondContact O-CB 3.2Å; V185-L189 VanDerWaalsContact O-CG 3.3Å; V185-L189 WeakPolarHBondContact O-CG 3.35Å; V185-L189 PolarHBondContact O-N 3.34Å; V186-L189 PolarHBondContact O-N 2.94Å; L189-E193 PolarHBondContact O-N 3.04Å; L189-C194 HydrophobicContact CD2-CB 3.87Å; L189-C194 CarbonylContact O-C 3.52Å; L189-C194 WeakPolarHBondContact O-CA 3.28Å; L189-C194 PolarHBondContact O-N 3.43Å; L189-E195 PolarHBondContact O-N 2.85Å; L189-E195 VanDerWaalsContact O-N 3.1Å; L189-L200 HydrophobicContact CD2-CD2 3.73Å; L189-L200 HydrophobicContact CD2-CG 3.95Å; L189-V201 HydrophobicContact CD1-CB 4.23Å; L189-V201 HydrophobicContact CD1-CG2 3.8Å; L189-A204 HydrophobicContact CD1-CB 4.43Å; L189-M230 HydrophobicContact CD1-CG 4.3Å; L189-M230 HydrophobicContact CD2-CE 3.81Å; L189-M230 HydrophobicContact CD2-CG 4.28Å; L189-M230 HydrophobicContact CG-CE 3.86Å; L189-M230 HydrophobicContact CG-CG 4.06Å; L189-M230 HydrophobicContact CG-SD 4.13Å
190Q91.5Very high91.7Very high112 Ų11267.6 Ų67.652%0.52333%0.325SS..Hα-helixtrans-66.5-46169.8168.3157.274.400112V186 M187 Y188 L192 E193 E195V186-Q190 WeakPolarHBondContact O-CB 3.44Å; V186-Q190 PolarHBondContact O-N 3.34Å; M187-Q190 PolarHBondContact O-N 3.39Å; Y188-Q190 VanDerWaalsContact C-N 3.31Å; Y188-Q190 PolarHBondContact O-N 3.44Å; Q190-L192 PolarHBondContact O-N 3.04Å; Q190-E193 PolarHBondContact O-N 3.04Å; Q190-E195 HydrophobicContact CB-CB 4.33Å; Q190-E195 WeakPolarHBondContact CB-OE2 3.38Å; Q190-E195 VanDerWaalsContact CG-OE2 3.26Å; Q190-E195 WeakPolarHBondContact CG-OE2 3.21Å; Q190-E195 PolarHBondContact NE2-OE2 3.46Å
191F90.5Very high91.9Very high137 Ų13767.5 Ų67.560%0.60133%0.326SS*.Hα-helixtrans-60.9-31175.6-175.9-92.4000113.2M187 Y188 E193 L250 F251M187-F191 PolarHBondContact O-N 3.36Å; Y188-F191 PolarHBondContact O-N 3.38Å; F191-E193 VanDerWaalsContact C-N 3.29Å; F191-L250 HydrophobicContact CE1-CD1 4.12Å; F191-F251 HydrophobicContact CB-CZ 4.33Å; F191-F251 HydrophobicContact CD1-CE1 4.14Å; F191-F251 AromaticContact CD1-CZ 3.7Å; F191-F251 HydrophobicContact CD1-CZ 3.7Å; F191-F251 HydrophobicContact CE1-CZ 4.38Å; F191-F251 HydrophobicContact CG-CE1 4.48Å; F191-F251 HydrophobicContact CG-CZ 4.23Å
192L89.6Confident92Very high28 Ų2872.5 Ų72.515%0.14735%0.35CS..THydrogen-bonded Turntrans-88.212.6174.5-61.4175.2000113.6Y188 Q190 C194 M230 W247Y188-L192 WeakPolarHBondContact O-CG 3.33Å; Y188-L192 PolarHBondContact O-N 2.79Å; Q190-L192 PolarHBondContact O-N 3.04Å; L192-C194 HydrophobicContact CB-CB 4.48Å; L192-C194 PolarHBondContact O-N 3.42Å; L192-C194 PolarHBondContact O-SG 3.11Å; L192-M230 HydrophobicContact CD1-CE 3.68Å; L192-W247 HydrophobicContact CD1-CD2 3.95Å; L192-W247 HydrophobicContact CD1-CE3 3.68Å; L192-W247 HydrophobicContact CD1-CG 4.36Å; L192-W247 HydrophobicContact CD1-CZ3 4.17Å; L192-W247 HydrophobicContact CD2-CB 4.05Å
193E90.3Very high92.1Very high158 Ų15873.3 Ų73.374%0.73836%0.356SS*.THydrogen-bonded Turntrans55.69.1-176.1-54-166.7160.500115.6L189 Q190 F191L189-E193 PolarHBondContact O-N 3.04Å; Q190-E193 PolarHBondContact O-N 3.04Å; F191-E193 VanDerWaalsContact C-N 3.29Å
194C87Confident92.3Very high28 Ų2865 Ų6519%0.18932%0.32CS..G310 helixtrans-84.8-6.1-175.6-73.20000113.8L189 L192 K196 N197 L200L189-C194 HydrophobicContact CD2-CB 3.87Å; L189-C194 CarbonylContact O-C 3.52Å; L189-C194 WeakPolarHBondContact O-CA 3.28Å; L189-C194 PolarHBondContact O-N 3.43Å; L192-C194 HydrophobicContact CB-CB 4.48Å; L192-C194 PolarHBondContact O-N 3.42Å; L192-C194 PolarHBondContact O-SG 3.11Å; C194-K196 PolarHBondContact O-N 3.06Å; C194-N197 WeakPolarHBondContact O-CB 3.47Å; C194-N197 PolarHBondContact O-N 2.78Å; C194-L200 HydrophobicContact CB-CD2 4Å
195E87.1Confident92.4Very high71 Ų7167.9 Ų67.933%0.33233%0.329SS..G310 helixtrans-47.3-35178.567.1-174.1-167.100114.3L189 Q190 N197L189-E195 PolarHBondContact O-N 2.85Å; L189-E195 VanDerWaalsContact O-N 3.1Å; Q190-E195 HydrophobicContact CB-CB 4.33Å; Q190-E195 WeakPolarHBondContact CB-OE2 3.38Å; Q190-E195 VanDerWaalsContact CG-OE2 3.26Å; Q190-E195 WeakPolarHBondContact CG-OE2 3.21Å; Q190-E195 PolarHBondContact NE2-OE2 3.46Å; E195-N197 PolarHBondContact O-N 3.08Å
196K88.4Confident92.5Very high163 Ų16371.5 Ų71.571%0.70935%0.348SS*.G310 helixtrans-69.8-22.8-176.1-64.5165.2-170.2156.80111.3C194 Q198C194-K196 PolarHBondContact O-N 3.06Å; K196-Q198 PolarHBondContact O-N 3.38Å; K196-Q198 VanDerWaalsContact O-N 3.08Å
197N91.9Very high92.6Very high57 Ų5770.8 Ų70.831%0.30534%0.34SS..  trans-82.282.4176.2-169.8-23.8000110.3C194 E195 T199 L200 V201 I239C194-N197 WeakPolarHBondContact O-CB 3.47Å; C194-N197 PolarHBondContact O-N 2.78Å; E195-N197 PolarHBondContact O-N 3.08Å; N197-T199 PolarHBondContact O-N 3.04Å; N197-T199 PolarHBondContact OD1-N 3.46Å; N197-T199 PolarHBondContact OD1-OG1 3.19Å; N197-L200 HydrophobicContact CB-CB 4.06Å; N197-L200 WeakPolarHBondContact O-CB 3.48Å; N197-L200 PolarHBondContact O-N 3Å; N197-L200 VanDerWaalsContact O-N 3.08Å; N197-L200 PolarHBondContact OD1-N 3.03Å; N197-L200 VanDerWaalsContact OD1-N 3.12Å; N197-V201 PolarHBondContact O-N 3.48Å; N197-I239 VanDerWaalsContact ND2-CD1 3.29Å; N197-I239 WeakPolarHBondContact ND2-CD1 3.27Å
198Q92.6Very high92.8Very high161 Ų16166.1 Ų66.175%0.75232%0.317SS*.Hα-helixtrans-59.4-28.1-178.2-65.6-171.11.100113.6K196 Q202K196-Q198 PolarHBondContact O-N 3.38Å; K196-Q198 VanDerWaalsContact O-N 3.08Å; Q198-Q202 VanDerWaalsContact O-CB 3.25Å; Q198-Q202 WeakPolarHBondContact O-CB 3.12Å; Q198-Q202 PolarHBondContact O-N 2.87Å
199T94.8Very high92.8Very high88 Ų8867 Ų6754%0.5432%0.323SS..Hα-helixtrans-73-34.3176.6630000111.8N197 T203N197-T199 PolarHBondContact O-N 3.04Å; N197-T199 PolarHBondContact OD1-N 3.46Å; N197-T199 PolarHBondContact OD1-OG1 3.19Å; T199-T203 WeakPolarHBondContact O-CB 3.47Å; T199-T203 PolarHBondContact O-N 2.7Å; T199-T203 PolarHBondContact O-OG1 3.43Å
200L94.6Very high92.9Very high1 Ų168.4 Ų68.41%0.00533%0.33CS..Hα-helixtrans-65.4-48.9169.7176.157.7000111.6L189 C194 N197 Q202 T203 A204 A233 A234 L237 I239L189-L200 HydrophobicContact CD2-CD2 3.73Å; L189-L200 HydrophobicContact CD2-CG 3.95Å; C194-L200 HydrophobicContact CB-CD2 4Å; N197-L200 HydrophobicContact CB-CB 4.06Å; N197-L200 WeakPolarHBondContact O-CB 3.48Å; N197-L200 PolarHBondContact O-N 3Å; N197-L200 VanDerWaalsContact O-N 3.08Å; N197-L200 PolarHBondContact OD1-N 3.03Å; N197-L200 VanDerWaalsContact OD1-N 3.12Å; L200-Q202 PolarHBondContact O-N 3.4Å; L200-T203 PolarHBondContact O-N 3.36Å; L200-A204 WeakPolarHBondContact O-CB 3.43Å; L200-A204 PolarHBondContact O-N 3.03Å; L200-A233 HydrophobicContact CD1-CB 3.71Å; L200-A234 HydrophobicContact CD1-CB 4.2Å; L200-L237 HydrophobicContact CB-CD1 4.02Å; L200-L237 HydrophobicContact CD1-CD1 4.25Å; L200-I239 HydrophobicContact CB-CD1 3.86Å; L200-I239 HydrophobicContact CD1-CD1 4.2Å; L200-I239 HydrophobicContact CD2-CD1 3.91Å; L200-I239 HydrophobicContact CD2-CG2 4.47Å; L200-I239 HydrophobicContact CG-CD1 4.2Å
201V94.2Very high93.1Very high28 Ų2863.1 Ų63.117%0.1731%0.306CS..Hα-helixtrans-57.1-49.8177.6178.30000110.8L189 N197 A204 W205L189-V201 HydrophobicContact CD1-CB 4.23Å; L189-V201 HydrophobicContact CD1-CG2 3.8Å; N197-V201 PolarHBondContact O-N 3.48Å; V201-A204 PolarHBondContact O-N 3.44Å; V201-W205 WeakPolarHBondContact O-CB 3.45Å; V201-W205 PolarHBondContact O-N 2.9Å
202Q94.9Very high93.3Very high105 Ų10556.6 Ų56.649%0.49128%0.277SS..Hα-helixtrans-67.2-37.6-179.7-172.561.468.600112.5Q198 L200 W205 N206Q198-Q202 VanDerWaalsContact O-CB 3.25Å; Q198-Q202 WeakPolarHBondContact O-CB 3.12Å; Q198-Q202 PolarHBondContact O-N 2.87Å; L200-Q202 PolarHBondContact O-N 3.4Å; Q202-W205 PolarHBondContact O-N 3.36Å; Q202-N206 PolarHBondContact NE2-OD1 3.42Å; Q202-N206 WeakPolarHBondContact O-CB 3.32Å; Q202-N206 PolarHBondContact O-N 3.46Å; Q202-N206 PolarHBondContact O-ND2 3.39Å; Q202-N206 PolarHBondContact O-OD1 2.7Å
203T95.9Very high93.5Very high31 Ų3158.1 Ų58.119%0.1928%0.281CS..Hα-helixtrans-67.7-42177.6-60.60000111.5T199 L200 W205 N206 Y207 A233T199-T203 WeakPolarHBondContact O-CB 3.47Å; T199-T203 PolarHBondContact O-N 2.7Å; T199-T203 PolarHBondContact O-OG1 3.43Å; L200-T203 PolarHBondContact O-N 3.36Å; T203-W205 VanDerWaalsContact C-N 3.34Å; T203-W205 PolarHBondContact O-N 3.03Å; T203-N206 PolarHBondContact O-N 3Å; T203-Y207 HydrophobicContact CG2-CD2 3.89Å; T203-Y207 HydrophobicContact CG2-CE2 3.52Å; T203-Y207 VanDerWaalsContact O-CD2 3.32Å; T203-Y207 WeakPolarHBondContact O-CD2 3.28Å; T203-Y207 PolarHBondContact O-N 2.6Å; T203-A233 HydrophobicContact CG2-CB 3.69Å
204A96.4Very high93.7Very high0 Ų051.3 Ų51.30%025%0.25CS..Hα-helixtrans-62.4-41.7173.800000111.6V185 L189 L200 V201 N206 Y207 M208 M230 A233V185-A204 HydrophobicContact CG1-CB 3.77Å; L189-A204 HydrophobicContact CD1-CB 4.43Å; L200-A204 WeakPolarHBondContact O-CB 3.43Å; L200-A204 PolarHBondContact O-N 3.03Å; V201-A204 PolarHBondContact O-N 3.44Å; A204-N206 PolarHBondContact O-N 3.44Å; A204-Y207 PolarHBondContact O-N 2.87Å; A204-M208 WeakPolarHBondContact O-CB 3.31Å; A204-M208 PolarHBondContact O-N 3Å; A204-M230 HydrophobicContact CB-CG 4.29Å; A204-A233 HydrophobicContact CB-CB 3.81Å
205W94.7Very high94Very high83 Ų8351.8 Ų51.831%0.31425%0.251SS..Hα-helixtrans-63.8-38.2174.7-159.9-58.3000112.2H182 V186 V201 Q202 T203 M208 N209H182-W205 HydrophobicContact CB-CH2 4.08Å; H182-W205 HydrophobicContact CB-CZ2 3.96Å; H182-W205 AromaticContact CD2-CE2 3.75Å; H182-W205 AromaticContact CD2-CZ2 3.7Å; H182-W205 AromaticContact CD2-NE1 3.65Å; V186-W205 HydrophobicContact CG2-CE3 4.21Å; V186-W205 HydrophobicContact CG2-CZ3 3.73Å; V201-W205 WeakPolarHBondContact O-CB 3.45Å; V201-W205 PolarHBondContact O-N 2.9Å; Q202-W205 PolarHBondContact O-N 3.36Å; T203-W205 VanDerWaalsContact C-N 3.34Å; T203-W205 PolarHBondContact O-N 3.03Å; W205-M208 HydrophobicContact CB-CE 4.46Å; W205-M208 HydrophobicContact CD2-CE 4.2Å; W205-M208 HydrophobicContact CG-CE 3.83Å; W205-M208 WeakPolarHBondContact O-CE 3.49Å; W205-M208 PolarHBondContact O-N 3.4Å; W205-N209 WeakPolarHBondContact O-CB 3.14Å; W205-N209 PolarHBondContact O-N 3.46Å
206N95.3Very high94.3Very high75 Ų7548.4 Ų48.440%0.40124%0.235SC..Hα-helixtrans-65.2-48.3176.7-69.6-11.6000111.6Q202 T203 A204 M208 N209 D210Q202-N206 PolarHBondContact NE2-OD1 3.42Å; Q202-N206 WeakPolarHBondContact O-CB 3.32Å; Q202-N206 PolarHBondContact O-N 3.46Å; Q202-N206 PolarHBondContact O-ND2 3.39Å; Q202-N206 PolarHBondContact O-OD1 2.7Å; T203-N206 PolarHBondContact O-N 3Å; A204-N206 PolarHBondContact O-N 3.44Å; N206-M208 VanDerWaalsContact C-N 3.28Å; N206-M208 PolarHBondContact O-N 3.4Å; N206-N209 PolarHBondContact O-N 2.9Å; N206-D210 PolarHBondContact O-N 2.99Å
207Y96.3Very high94.6Very high43 Ų4340.9 Ų40.917%0.16920%0.202CC..Hα-helixtrans-60.8-37.2176.6-75.7-53.1000112.9T203 A204 D210 S211 L232 A233 A236 T265 Y269T203-Y207 HydrophobicContact CG2-CD2 3.89Å; T203-Y207 HydrophobicContact CG2-CE2 3.52Å; T203-Y207 VanDerWaalsContact O-CD2 3.32Å; T203-Y207 WeakPolarHBondContact O-CD2 3.28Å; T203-Y207 PolarHBondContact O-N 2.6Å; A204-Y207 PolarHBondContact O-N 2.87Å; Y207-D210 PolarHBondContact O-N 3.26Å; Y207-S211 WeakPolarHBondContact O-CB 3.4Å; Y207-S211 PolarHBondContact O-N 2.74Å; Y207-S211 PolarHBondContact O-OG 2.98Å; Y207-L232 HydrophobicContact CD1-CD2 3.59Å; Y207-L232 HydrophobicContact CD1-CG 4.24Å; Y207-L232 HydrophobicContact CD2-CB 4.17Å; Y207-L232 HydrophobicContact CD2-CD2 4.02Å; Y207-L232 HydrophobicContact CD2-CG 3.88Å; Y207-L232 HydrophobicContact CE1-CD2 3.84Å; Y207-L232 HydrophobicContact CE1-CG 4.18Å; Y207-L232 HydrophobicContact CE2-CB 4.39Å; Y207-L232 HydrophobicContact CE2-CD2 4.23Å; Y207-L232 HydrophobicContact CE2-CG 3.8Å; Y207-L232 HydrophobicContact CG-CD2 3.71Å; Y207-L232 HydrophobicContact CG-CG 4.12Å; Y207-A233 HydrophobicContact CD2-CB 4.13Å; Y207-A233 HydrophobicContact CE2-CB 4.37Å; Y207-A236 HydrophobicContact CE2-CB 4.23Å; Y207-T265 HydrophobicContact CD1-CG2 4.42Å; Y207-Y269 HydrophobicContact CD1-CE2 4.22Å; Y207-Y269 VanDerWaalsContact CD1-OH 3.32Å; Y207-Y269 WeakPolarHBondContact CD1-OH 3.31Å; Y207-Y269 AromaticContact CE1-CE2 3.94Å; Y207-Y269 HydrophobicContact CE1-CE2 3.94Å
208M95.7Very high94.6Very high0 Ų038.1 Ų38.10%019%0.188CC..Hα-helixtrans-70.1-38.5176.1171.7-74.2-58.100112.3P181 H182 A204 W205 N206 D210 S211 L212 F217 C229P181-M208 HydrophobicContact CB-CG 4.3Å; P181-M208 HydrophobicContact CG-CG 3.57Å; P181-M208 HydrophobicContact CG-SD 4.04Å; H182-M208 HydrophobicContact CB-CE 4.23Å; H182-M208 WeakPolarHBondContact CD2-CE 3.49Å; H182-M208 PolarHBondContact CE1-SD 2.88Å; H182-M208 WeakPolarHBondContact NE2-CE 3.38Å; H182-M208 PolarHBondContact NE2-SD 2.97Å; H182-M208 VanDerWaalsContact NE2-SD 3.4Å; A204-M208 WeakPolarHBondContact O-CB 3.31Å; A204-M208 PolarHBondContact O-N 3Å; W205-M208 HydrophobicContact CB-CE 4.46Å; W205-M208 HydrophobicContact CD2-CE 4.2Å; W205-M208 HydrophobicContact CG-CE 3.83Å; W205-M208 WeakPolarHBondContact O-CE 3.49Å; W205-M208 PolarHBondContact O-N 3.4Å; N206-M208 VanDerWaalsContact C-N 3.28Å; N206-M208 PolarHBondContact O-N 3.4Å; M208-D210 VanDerWaalsContact C-N 3.32Å; M208-D210 PolarHBondContact O-N 3.25Å; M208-S211 PolarHBondContact O-N 3.11Å; M208-S211 PolarHBondContact O-OG 3.21Å; M208-S211 VanDerWaalsContact O-OG 3.14Å; M208-L212 PolarHBondContact O-N 3.25Å; M208-F217 HydrophobicContact CG-CZ 4.4Å; M208-F217 HydrophobicContact SD-CZ 4.38Å; M208-C229 VanDerWaalsContact CA-SG 3.57Å; M208-C229 HydrophobicContact CB-CB 3.92Å
209N94.9Very high94.6Very high37 Ų3732.3 Ų32.320%0.19816%0.159CC..Hα-helixtrans-65.9-33.1172.3-84.2-18.4000112.5H182 W205 N206H182-N209 PolarHBondContact NE2-OD1 2.82Å; W205-N209 WeakPolarHBondContact O-CB 3.14Å; W205-N209 PolarHBondContact O-N 3.46Å; N206-N209 PolarHBondContact O-N 2.9Å
210D94.3Very high94.5Very high31 Ų3128.7 Ų28.717%0.16614%0.136CC..Hα-helixtrans-75.2-37.8175.5-81.2-22.8000112.1N206 Y207 M208 L212 R213 L268 Y269N206-D210 PolarHBondContact O-N 2.99Å; Y207-D210 PolarHBondContact O-N 3.26Å; M208-D210 VanDerWaalsContact C-N 3.32Å; M208-D210 PolarHBondContact O-N 3.25Å; D210-L212 PolarHBondContact O-N 3Å; D210-R213 WeakPolarHBondContact O-CB 3.38Å; D210-R213 PolarHBondContact O-N 2.88Å; D210-R213 IonicContact OD1-CZ 2.67Å; D210-R213 IonicContact OD1-NH1 3.63Å; D210-R213 PolarHBondContact OD1-NH1 2.9Å; D210-R213 IonicContact OD1-NH2 3.42Å; D210-R213 PolarHBondContact OD1-NH2 3.08Å; D210-L268 HydrophobicContact CB-CD2 4.09Å; D210-L268 WeakPolarHBondContact O-CD2 3.28Å; D210-Y269 WeakPolarHBondContact CB-OH 3.48Å; D210-Y269 VanDerWaalsContact OD2-CE1 3.31Å; D210-Y269 WeakPolarHBondContact OD2-CE1 3.22Å; D210-Y269 PolarHBondContact OD2-OH 3.26Å
211S95.5Very high94.4Very high0 Ų032.4 Ų32.40%015%0.153CC..Hα-helixtrans-67.6-17.9-179.375.20000113.5Y207 M208 R213 T214 T265Y207-S211 WeakPolarHBondContact O-CB 3.4Å; Y207-S211 PolarHBondContact O-N 2.74Å; Y207-S211 PolarHBondContact O-OG 2.98Å; M208-S211 PolarHBondContact O-N 3.11Å; M208-S211 PolarHBondContact O-OG 3.21Å; M208-S211 VanDerWaalsContact O-OG 3.14Å; S211-R213 PolarHBondContact O-N 3.22Å; S211-T214 WeakPolarHBondContact O-CA 3.28Å; S211-T214 WeakPolarHBondContact O-CB 3.23Å; S211-T214 PolarHBondContact O-N 3.23Å; S211-T214 PolarHBondContact O-OG1 2.95Å; S211-T265 WeakPolarHBondContact CB-OG1 3.2Å
212L94.9Very high94.4Very high1 Ų131.1 Ų31.11%0.00515%0.145CC..THydrogen-bonded Turntrans-55.9-25.2165.7-75.4164.4000113.8A85 V89 H92 M208 D210 T214 F217A85-L212 HydrophobicContact CB-CD1 3.66Å; A85-L212 HydrophobicContact CB-CD2 3.87Å; A85-L212 HydrophobicContact CB-CG 4.46Å; V89-L212 HydrophobicContact CG2-CD2 4.11Å; H92-L212 PolarHBondContact NE2-O 2.94Å; M208-L212 PolarHBondContact O-N 3.25Å; D210-L212 PolarHBondContact O-N 3Å; L212-T214 PolarHBondContact O-N 3.35Å; L212-F217 HydrophobicContact CB-CE2 4.29Å; L212-F217 HydrophobicContact CD2-CD1 3.83Å; L212-F217 HydrophobicContact CD2-CD2 3.81Å; L212-F217 HydrophobicContact CD2-CE1 3.52Å; L212-F217 HydrophobicContact CD2-CE2 3.54Å; L212-F217 HydrophobicContact CD2-CG 3.95Å; L212-F217 HydrophobicContact CD2-CZ 3.38Å; L212-F217 HydrophobicContact CG-CD2 4.2Å; L212-F217 HydrophobicContact CG-CE1 4.31Å; L212-F217 HydrophobicContact CG-CE2 3.6Å; L212-F217 HydrophobicContact CG-CZ 3.66Å
213R94.4Very high94.4Very high59 Ų5929.2 Ų29.222%0.22314%0.136CC..THydrogen-bonded Turntrans-77.1-11.4174.6-53.3-169.2-16099.224112.9I64 C67 D210 S211 L268I64-R213 HydrophobicContact CG2-CB 4.5Å; C67-R213 HydrophobicContact CB-CB 4.35Å; C67-R213 HydrophobicContact CB-CG 4.18Å; D210-R213 WeakPolarHBondContact O-CB 3.38Å; D210-R213 PolarHBondContact O-N 2.88Å; D210-R213 IonicContact OD1-CZ 2.67Å; D210-R213 IonicContact OD1-NH1 3.63Å; D210-R213 PolarHBondContact OD1-NH1 2.9Å; D210-R213 IonicContact OD1-NH2 3.42Å; D210-R213 PolarHBondContact OD1-NH2 3.08Å; S211-R213 PolarHBondContact O-N 3.22Å; R213-L268 HydrophobicContact CB-CD1 4.15Å; R213-L268 HydrophobicContact CB-CD2 4.21Å
214T94.1Very high94.4Very high15 Ų1528.2 Ų28.29%0.09213%0.13CC..SBendtrans-104.2176.3179.6790000111.2H92 S211 L212 V216 T264H92-T214 PolarHBondContact CE1-O 3.33Å; H92-T214 PolarHBondContact NE2-O 2.84Å; S211-T214 WeakPolarHBondContact O-CA 3.28Å; S211-T214 WeakPolarHBondContact O-CB 3.23Å; S211-T214 PolarHBondContact O-N 3.23Å; S211-T214 PolarHBondContact O-OG1 2.95Å; L212-T214 PolarHBondContact O-N 3.35Å; T214-V216 VanDerWaalsContact C-N 3.35Å; T214-V216 PolarHBondContact O-N 3.27Å; T214-V216 PolarHBondContact OG1-N 2.91Å; T214-T264 HydrophobicContact CG2-CG2 4.37Å
215N92.3Very high94.3Very high38 Ų3828.3 Ų28.320%0.20313%0.131CC..SBendtrans-84.33.3-179.265.9-11.7000115Y96 F217 V218 R219Y96-N215 HydrophobicContact CE2-CB 3.9Å; Y96-N215 WeakPolarHBondContact OH-CB 3.36Å; Y96-N215 PolarHBondContact OH-ND2 3.36Å; N215-F217 VanDerWaalsContact C-N 3.27Å; N215-F217 PolarHBondContact O-N 3.01Å; N215-V218 HydrophobicContact CB-CG2 4.18Å; N215-V218 WeakPolarHBondContact O-CG2 3.28Å; N215-V218 PolarHBondContact O-N 3.4Å; N215-R219 PolarHBondContact O-N 2.86Å
216V94.5Very high94.4Very high0 Ų024.4 Ų24.40%012%0.116CC..G310 helixtrans-59.6-37.8-173.9-58.90000112.7T214 V218 R219 F220 I225 I261 T264T214-V216 VanDerWaalsContact C-N 3.35Å; T214-V216 PolarHBondContact O-N 3.27Å; T214-V216 PolarHBondContact OG1-N 2.91Å; V216-V218 PolarHBondContact O-N 3.39Å; V216-R219 PolarHBondContact O-N 3.12Å; V216-F220 HydrophobicContact CB-CD2 3.96Å; V216-F220 HydrophobicContact CB-CE2 4.41Å; V216-F220 HydrophobicContact CG1-CD2 4.3Å; V216-F220 HydrophobicContact CG1-CE2 4.26Å; V216-F220 PolarHBondContact O-N 3.4Å; V216-I225 HydrophobicContact CG2-CD1 4.37Å; V216-I261 HydrophobicContact CB-CG1 4.41Å; V216-I261 HydrophobicContact CB-CG2 4.39Å; V216-I261 HydrophobicContact CG1-CB 4.39Å; V216-I261 HydrophobicContact CG1-CG1 4.2Å; V216-I261 HydrophobicContact CG1-CG2 4.12Å; V216-T264 HydrophobicContact CG1-CG2 3.78Å
217F93.7Very high94.5Very high5 Ų520.8 Ų20.82%0.02210%0.097CC..G310 helixtrans-64.5-8177.2-83-98.4000115.5V89 P181 M208 L212 N215 I225V89-F217 HydrophobicContact CG2-CB 3.81Å; V89-F217 HydrophobicContact CG2-CD1 3.73Å; V89-F217 HydrophobicContact CG2-CG 4Å; P181-F217 VanDerWaalsContact CD-CE1 3.45Å; P181-F217 HydrophobicContact CG-CE1 3.75Å; P181-F217 HydrophobicContact CG-CZ 3.65Å; M208-F217 HydrophobicContact CG-CZ 4.4Å; M208-F217 HydrophobicContact SD-CZ 4.38Å; L212-F217 HydrophobicContact CB-CE2 4.29Å; L212-F217 HydrophobicContact CD2-CD1 3.83Å; L212-F217 HydrophobicContact CD2-CD2 3.81Å; L212-F217 HydrophobicContact CD2-CE1 3.52Å; L212-F217 HydrophobicContact CD2-CE2 3.54Å; L212-F217 HydrophobicContact CD2-CG 3.95Å; L212-F217 HydrophobicContact CD2-CZ 3.38Å; L212-F217 HydrophobicContact CG-CD2 4.2Å; L212-F217 HydrophobicContact CG-CE1 4.31Å; L212-F217 HydrophobicContact CG-CE2 3.6Å; L212-F217 HydrophobicContact CG-CZ 3.66Å; N215-F217 VanDerWaalsContact C-N 3.27Å; N215-F217 PolarHBondContact O-N 3.01Å; F217-I225 HydrophobicContact CD1-CD1 4.5Å; F217-I225 HydrophobicContact CD2-CD1 4.46Å; F217-I225 HydrophobicContact CE2-CG2 4.32Å; F217-I225 HydrophobicContact CG-CD1 4.29Å; F217-I225 HydrophobicContact CZ-CG2 4.44Å
218V91.8Very high94.5Very high0 Ų018.8 Ų18.80%09%0.089CC..G310 helixtrans-118.64.8173.2-590000113I39 V89 H92 R93 Y96 N215 V216I39-V218 WeakPolarHBondContact CB-O 3.34Å; I39-V218 HydrophobicContact CD1-CB 3.78Å; I39-V218 HydrophobicContact CD1-CG1 4.36Å; I39-V218 HydrophobicContact CD1-CG2 4.02Å; I39-V218 HydrophobicContact CG1-CB 4.06Å; I39-V218 PolarHBondContact N-O 2.9Å; V89-V218 HydrophobicContact CG1-CG1 4.37Å; H92-V218 HydrophobicContact CB-CG1 3.86Å; H92-V218 HydrophobicContact CB-CG2 4.45Å; R93-V218 HydrophobicContact CG-CG1 3.6Å; Y96-V218 HydrophobicContact CD2-CG2 3.75Å; Y96-V218 HydrophobicContact CE2-CG2 3.64Å; N215-V218 HydrophobicContact CB-CG2 4.18Å; N215-V218 WeakPolarHBondContact O-CG2 3.28Å; N215-V218 PolarHBondContact O-N 3.4Å; V216-V218 PolarHBondContact O-N 3.39Å
219R92.7Very high94.6Very high39 Ų3918.9 Ų18.915%0.1479%0.089CC..THydrogen-bonded Turntrans-115.3-35.6178.9-73.7-168.965.6-155.9-4.2113.9V38 E41 L44 N215 V216 E260V38-R219 WeakPolarHBondContact CG1-O 3.33Å; E41-R219 IonicContact OE1-NH2 3.25Å; E41-R219 PolarHBondContact OE1-NH2 3.41Å; L44-R219 HydrophobicContact CD1-CG 3.72Å; L44-R219 VanDerWaalsContact CD1-NE 3.33Å; L44-R219 HydrophobicContact CD2-CG 3.85Å; L44-R219 HydrophobicContact CG-CG 4.46Å; N215-R219 PolarHBondContact O-N 2.86Å; V216-R219 PolarHBondContact O-N 3.12Å; R219-E260 IonicContact CZ-OE1 2.72Å; R219-E260 IonicContact CZ-OE2 2.61Å; R219-E260 IonicContact NH1-OE1 3.88Å; R219-E260 PolarHBondContact NH1-OE1 3.1Å; R219-E260 IonicContact NH1-OE2 3.66Å; R219-E260 PolarHBondContact NH1-OE2 3.31Å; R219-E260 IonicContact NH2-OE1 3.32Å; R219-E260 PolarHBondContact NH2-OE1 3.4Å; R219-E260 IonicContact NH2-OE2 2.67Å; R219-E260 PolarHBondContact NH2-OE2 3.33Å
220F93.7Very high94.6Very high12 Ų1217.1 Ų17.15%0.0538%0.08CC..SBendtrans-122.3159.7-172.4-54.5-79.8000111.1V216 I225 E257 E260 I261V216-F220 HydrophobicContact CB-CD2 3.96Å; V216-F220 HydrophobicContact CB-CE2 4.41Å; V216-F220 HydrophobicContact CG1-CD2 4.3Å; V216-F220 HydrophobicContact CG1-CE2 4.26Å; V216-F220 PolarHBondContact O-N 3.4Å; F220-I225 HydrophobicContact CB-CD1 4.29Å; F220-I225 HydrophobicContact CB-CG1 3.96Å; F220-E257 HydrophobicContact CD1-CB 4.11Å; F220-E257 HydrophobicContact CD1-CG 3.98Å; F220-E257 HydrophobicContact CE1-CB 4.06Å; F220-E257 HydrophobicContact CE1-CG 3.93Å; F220-E260 HydrophobicContact CZ-CB 4.4Å; F220-E260 HydrophobicContact CZ-CG 4.37Å; F220-I261 HydrophobicContact CB-CD1 3.89Å; F220-I261 HydrophobicContact CD1-CD1 4.08Å; F220-I261 HydrophobicContact CD1-CG1 4.34Å; F220-I261 HydrophobicContact CD2-CD1 3.77Å; F220-I261 HydrophobicContact CD2-CG1 3.43Å; F220-I261 VanDerWaalsContact CD2-CG1 3.43Å; F220-I261 HydrophobicContact CE1-CG1 4.45Å; F220-I261 HydrophobicContact CE2-CD1 4.31Å; F220-I261 HydrophobicContact CE2-CG1 3.57Å; F220-I261 HydrophobicContact CG-CD1 3.64Å; F220-I261 HydrophobicContact CG-CG1 3.85Å; F220-I261 HydrophobicContact CZ-CG1 4.09Å
221Q93.2Very high94.7Very high78 Ų7817.7 Ų17.736%0.3648%0.08SC..  trans-75.4149.7174.2-62.7-59.7-0.100111.3N36 E223 T224 I225N36-Q221 PolarHBondContact ND2-OE1 3.22Å; Q221-E223 PolarHBondContact O-N 2.84Å; Q221-T224 WeakPolarHBondContact O-CB 3.28Å; Q221-T224 PolarHBondContact O-N 3.14Å; Q221-T224 VanDerWaalsContact O-N 3.11Å; Q221-I225 WeakPolarHBondContact O-CG1 3.23Å; Q221-I225 PolarHBondContact O-N 3.15Å
222P93.8Very high94.6Very high2 Ų218.3 Ų18.31%0.0138%0.084CC..Hα-helixtrans-64.1-24.8-175.627.5-35.7000112.6K179 P181 I184 I225 A226K179-P222 HydrophobicContact CB-CG 3.85Å; P181-P222 HydrophobicContact CB-CB 4.18Å; P181-P222 WeakPolarHBondContact CB-O 3.44Å; I184-P222 HydrophobicContact CD1-CB 3.94Å; I184-P222 HydrophobicContact CD1-CG 4.15Å; P222-I225 PolarHBondContact O-N 2.9Å; P222-A226 WeakPolarHBondContact O-CB 3.46Å; P222-A226 PolarHBondContact O-N 3.3Å
223E94.1Very high94.7Very high65 Ų6518.3 Ų18.330%0.3048%0.083SC..Hα-helixtrans-59.8-54.9169.8-64.270.4-15400110.7I184 Y188 Q221 I225 A226 C227I184-E223 HydrophobicContact CD1-CG 4.2Å; Y188-E223 WeakPolarHBondContact OH-CB 3.35Å; Y188-E223 WeakPolarHBondContact OH-CG 3.49Å; Q221-E223 PolarHBondContact O-N 2.84Å; E223-I225 VanDerWaalsContact C-N 3.33Å; E223-I225 PolarHBondContact O-N 3.47Å; E223-A226 WeakPolarHBondContact O-CB 3.33Å; E223-A226 PolarHBondContact O-N 3.39Å; E223-C227 PolarHBondContact O-N 2.85Å; E223-C227 PolarHBondContact O-SG 3.36Å
224T95.5Very high94.7Very high10 Ų1015.6 Ų15.66%0.0617%0.074CC..Hα-helixtrans-59.5-40.5175.7-42.80000112.3Q221 C227 A228 A253 E257 I261Q221-T224 WeakPolarHBondContact O-CB 3.28Å; Q221-T224 PolarHBondContact O-N 3.14Å; Q221-T224 VanDerWaalsContact O-N 3.11Å; T224-C227 PolarHBondContact O-N 2.86Å; T224-A228 WeakPolarHBondContact O-CB 3.47Å; T224-A228 PolarHBondContact O-N 2.96Å; T224-A253 HydrophobicContact CG2-CB 4Å; T224-E257 HydrophobicContact CG2-CB 3.55Å; T224-E257 HydrophobicContact CG2-CG 4.19Å; T224-I261 HydrophobicContact CG2-CD1 3.84Å
225I96.2Very high94.7Very high2 Ų223.1 Ų23.11%0.0110%0.101CC..Hα-helixtrans-65.2-41.6176.7-63.3167.2000111P181 V216 F217 F220 Q221 P222 E223 A228 C229 I261P181-I225 HydrophobicContact CB-CG2 4.43Å; P181-I225 HydrophobicContact CG-CG2 4.15Å; V216-I225 HydrophobicContact CG2-CD1 4.37Å; F217-I225 HydrophobicContact CD1-CD1 4.5Å; F217-I225 HydrophobicContact CD2-CD1 4.46Å; F217-I225 HydrophobicContact CE2-CG2 4.32Å; F217-I225 HydrophobicContact CG-CD1 4.29Å; F217-I225 HydrophobicContact CZ-CG2 4.44Å; F220-I225 HydrophobicContact CB-CD1 4.29Å; F220-I225 HydrophobicContact CB-CG1 3.96Å; Q221-I225 WeakPolarHBondContact O-CG1 3.23Å; Q221-I225 PolarHBondContact O-N 3.15Å; P222-I225 PolarHBondContact O-N 2.9Å; E223-I225 VanDerWaalsContact C-N 3.33Å; E223-I225 PolarHBondContact O-N 3.47Å; I225-A228 PolarHBondContact O-N 3.47Å; I225-C229 PolarHBondContact O-N 3.08Å; I225-C229 PolarHBondContact O-SG 3.5Å; I225-C229 VanDerWaalsContact O-SG 3.4Å; I225-I261 HydrophobicContact CG1-CD1 4.18Å
226A96.2Very high94.8Very high0 Ų024 Ų240%011%0.113CC..Hα-helixtrans-61-46.817500000111.2P181 I184 V185 Y188 P222 E223 A228 C229 M230P181-A226 HydrophobicContact CB-CB 4.11Å; I184-A226 HydrophobicContact CB-CB 3.89Å; I184-A226 HydrophobicContact CG2-CB 3.73Å; V185-A226 HydrophobicContact CG2-CB 3.6Å; Y188-A226 HydrophobicContact CD2-CB 4.27Å; Y188-A226 HydrophobicContact CE2-CB 4.32Å; P222-A226 WeakPolarHBondContact O-CB 3.46Å; P222-A226 PolarHBondContact O-N 3.3Å; E223-A226 WeakPolarHBondContact O-CB 3.33Å; E223-A226 PolarHBondContact O-N 3.39Å; A226-A228 PolarHBondContact O-N 2.97Å; A226-C229 PolarHBondContact O-N 3.39Å; A226-M230 WeakPolarHBondContact O-CB 3.36Å; A226-M230 VanDerWaalsContact O-CG 3.3Å; A226-M230 WeakPolarHBondContact O-CG 3.41Å; A226-M230 PolarHBondContact O-N 3.49Å
227C96.2Very high94.8Very high0 Ų027.1 Ų27.10%013%0.129CC..Hα-helixtrans-57.3-45.9175.1-69.20000112.3E223 T224 M230 Y231 W247 A253 I258E223-C227 PolarHBondContact O-N 2.85Å; E223-C227 PolarHBondContact O-SG 3.36Å; T224-C227 PolarHBondContact O-N 2.86Å; C227-M230 PolarHBondContact O-N 2.9Å; C227-Y231 VanDerWaalsContact O-CB 3.29Å; C227-Y231 WeakPolarHBondContact O-CB 3.36Å; C227-Y231 PolarHBondContact O-N 3.26Å; C227-W247 HydrophobicContact CB-CH2 4.1Å; C227-W247 HydrophobicContact CB-CZ3 4.25Å; C227-W247 WeakPolarHBondContact O-CH2 3.36Å; C227-A253 HydrophobicContact CB-CB 3.94Å; C227-I258 HydrophobicContact CB-CD1 3.92Å; C227-I258 HydrophobicContact CB-CG1 4.32Å
228A96.9Very high94.8Very high1 Ų135.5 Ų35.51%0.00817%0.168CC..Hα-helixtrans-65.3-42.3-179.900000113.1T224 I225 A226 Y231 L232 I258 I261 C262T224-A228 WeakPolarHBondContact O-CB 3.47Å; T224-A228 PolarHBondContact O-N 2.96Å; I225-A228 PolarHBondContact O-N 3.47Å; A226-A228 PolarHBondContact O-N 2.97Å; A228-Y231 PolarHBondContact O-N 3.21Å; A228-L232 WeakPolarHBondContact O-CB 3.46Å; A228-L232 PolarHBondContact O-N 3Å; A228-I258 HydrophobicContact CB-CB 4.46Å; A228-I258 HydrophobicContact CB-CG1 4.24Å; A228-I258 HydrophobicContact CB-CG2 4.43Å; A228-I261 HydrophobicContact CB-CB 3.59Å; A228-I261 HydrophobicContact CB-CD1 3.97Å; A228-I261 HydrophobicContact CB-CG1 4.4Å; A228-I261 HydrophobicContact CB-CG2 3.4Å; A228-C262 PolarHBondContact O-SG 3.5Å
229C97Very high94.8Very high1 Ų137.3 Ų37.31%0.00718%0.178CC..Hα-helixtrans-69.7-34.1178.2-66.70000112.5M208 I225 A226 A233M208-C229 VanDerWaalsContact CA-SG 3.57Å; M208-C229 HydrophobicContact CB-CB 3.92Å; I225-C229 PolarHBondContact O-N 3.08Å; I225-C229 PolarHBondContact O-SG 3.5Å; I225-C229 VanDerWaalsContact O-SG 3.4Å; A226-C229 PolarHBondContact O-N 3.39Å; C229-A233 WeakPolarHBondContact O-CB 3.47Å; C229-A233 PolarHBondContact O-N 2.58Å; C229-A233 VanDerWaalsContact O-N 3.07Å
230M95.8Very high94.5Very high1 Ų141.2 Ų41.21%0.00521%0.208CC..Hα-helixtrans-65.7-45.9169.6-73166.556.700112.2V185 Y188 L189 L192 A204 A226 C227 L232 A233 A234 W247V185-M230 HydrophobicContact CG1-CG 4.04Å; Y188-M230 VanDerWaalsContact CB-SD 3.54Å; Y188-M230 HydrophobicContact CD2-SD 4.14Å; Y188-M230 HydrophobicContact CG-SD 4.39Å; L189-M230 HydrophobicContact CD1-CG 4.3Å; L189-M230 HydrophobicContact CD2-CE 3.81Å; L189-M230 HydrophobicContact CD2-CG 4.28Å; L189-M230 HydrophobicContact CG-CE 3.86Å; L189-M230 HydrophobicContact CG-CG 4.06Å; L189-M230 HydrophobicContact CG-SD 4.13Å; L192-M230 HydrophobicContact CD1-CE 3.68Å; A204-M230 HydrophobicContact CB-CG 4.29Å; A226-M230 WeakPolarHBondContact O-CB 3.36Å; A226-M230 VanDerWaalsContact O-CG 3.3Å; A226-M230 WeakPolarHBondContact O-CG 3.41Å; A226-M230 PolarHBondContact O-N 3.49Å; C227-M230 PolarHBondContact O-N 2.9Å; M230-L232 VanDerWaalsContact C-N 3.34Å; M230-L232 PolarHBondContact O-N 3.13Å; M230-A233 PolarHBondContact O-N 2.64Å; M230-A234 WeakPolarHBondContact O-CB 3.47Å; M230-A234 PolarHBondContact O-N 2.97Å; M230-W247 HydrophobicContact CB-CH2 3.8Å; M230-W247 HydrophobicContact CB-CZ2 4.35Å; M230-W247 HydrophobicContact CE-CE3 4.38Å; M230-W247 HydrophobicContact CE-CH2 3.69Å; M230-W247 HydrophobicContact CE-CZ3 3.56Å; M230-W247 HydrophobicContact SD-CH2 4.31Å; M230-W247 HydrophobicContact SD-CZ3 4.37Å
231Y95.4Very high94.2Very high42 Ų4241.9 Ų41.917%0.16521%0.212CC..Hα-helixtrans-59.2-45.1177.4178.8-88.7000111.3C227 A228 A234 R235 Y248 I258C227-Y231 VanDerWaalsContact O-CB 3.29Å; C227-Y231 WeakPolarHBondContact O-CB 3.36Å; C227-Y231 PolarHBondContact O-N 3.26Å; A228-Y231 PolarHBondContact O-N 3.21Å; Y231-A234 PolarHBondContact O-N 3.49Å; Y231-R235 VanDerWaalsContact CE1-CD 3.43Å; Y231-R235 HydrophobicContact CE1-CG 4.33Å; Y231-R235 WeakPolarHBondContact O-CG 3.33Å; Y231-R235 PolarHBondContact O-N 3.21Å; Y231-Y248 HydrophobicContact CD2-CD1 4.46Å; Y231-Y248 HydrophobicContact CD2-CE1 4.45Å; Y231-Y248 HydrophobicContact CE2-CE1 4.39Å; Y231-I258 HydrophobicContact CD1-CG2 3.72Å; Y231-I258 HydrophobicContact CD2-CG2 4.15Å; Y231-I258 HydrophobicContact CE1-CG2 4.18Å; Y231-I258 HydrophobicContact CG-CG2 3.7Å
232L95.4Very high94Very high14 Ų1441.7 Ų41.77%0.07322%0.217CC..Hα-helixtrans-63.3-43.4177-171.258000111.9Y207 A228 M230 R235 A236 C262 T265 L266Y207-L232 HydrophobicContact CD1-CD2 3.59Å; Y207-L232 HydrophobicContact CD1-CG 4.24Å; Y207-L232 HydrophobicContact CD2-CB 4.17Å; Y207-L232 HydrophobicContact CD2-CD2 4.02Å; Y207-L232 HydrophobicContact CD2-CG 3.88Å; Y207-L232 HydrophobicContact CE1-CD2 3.84Å; Y207-L232 HydrophobicContact CE1-CG 4.18Å; Y207-L232 HydrophobicContact CE2-CB 4.39Å; Y207-L232 HydrophobicContact CE2-CD2 4.23Å; Y207-L232 HydrophobicContact CE2-CG 3.8Å; Y207-L232 HydrophobicContact CG-CD2 3.71Å; Y207-L232 HydrophobicContact CG-CG 4.12Å; A228-L232 WeakPolarHBondContact O-CB 3.46Å; A228-L232 PolarHBondContact O-N 3Å; M230-L232 VanDerWaalsContact C-N 3.34Å; M230-L232 PolarHBondContact O-N 3.13Å; L232-R235 PolarHBondContact O-N 3.48Å; L232-A236 WeakPolarHBondContact O-CB 3.32Å; L232-A236 PolarHBondContact O-N 2.7Å; L232-C262 HydrophobicContact CD1-CB 4.4Å; L232-T265 HydrophobicContact CD2-CG2 4.3Å; L232-L266 HydrophobicContact CD1-CD1 3.96Å; L232-L266 HydrophobicContact CD1-CD2 4.2Å; L232-L266 HydrophobicContact CD1-CG 4.11Å; L232-L266 HydrophobicContact CD2-CD2 4.45Å; L232-L266 HydrophobicContact CD2-CG 4.36Å
233A96.4Very high93.6Very high0 Ų045.6 Ų45.60%024%0.241CC..Hα-helixtrans-65.3-44.617700000113.1L200 T203 A204 Y207 C229 M230 R235 A236 L237L200-A233 HydrophobicContact CD1-CB 3.71Å; T203-A233 HydrophobicContact CG2-CB 3.69Å; A204-A233 HydrophobicContact CB-CB 3.81Å; Y207-A233 HydrophobicContact CD2-CB 4.13Å; Y207-A233 HydrophobicContact CE2-CB 4.37Å; C229-A233 WeakPolarHBondContact O-CB 3.47Å; C229-A233 PolarHBondContact O-N 2.58Å; C229-A233 VanDerWaalsContact O-N 3.07Å; M230-A233 PolarHBondContact O-N 2.64Å; A233-R235 PolarHBondContact O-N 2.54Å; A233-A236 PolarHBondContact O-N 3.02Å; A233-L237 WeakPolarHBondContact O-CB 3.48Å; A233-L237 WeakPolarHBondContact O-CG 3.22Å; A233-L237 PolarHBondContact O-N 3.3Å
234A94.9Very high93.2Very high3 Ų353.9 Ų53.93%0.02527%0.27CS..Hα-helixtrans-62.4-42.8177.200000111.5L200 M230 Y231 L237 Q238 I239 L241L200-A234 HydrophobicContact CD1-CB 4.2Å; M230-A234 WeakPolarHBondContact O-CB 3.47Å; M230-A234 PolarHBondContact O-N 2.97Å; Y231-A234 PolarHBondContact O-N 3.49Å; A234-L237 CarbonylContact O-C 2.94Å; A234-L237 PolarHBondContact O-N 3.13Å; A234-Q238 PolarHBondContact O-N 2.97Å; A234-I239 HydrophobicContact CB-CB 4.41Å; A234-I239 PolarHBondContact O-N 3.11Å; A234-L241 HydrophobicContact CB-CD1 3.49Å; A234-L241 VanDerWaalsContact CB-CD1 3.49Å; A234-L241 HydrophobicContact CB-CG 3.89Å
235R93.9Very high92.7Very high173 Ų17357.7 Ų57.765%0.65330%0.295SS*.Hα-helixtrans-66-39.6174.5-71.8-16769.1-143.8-1.9113.1Y231 L232 A233 L237 Q238Y231-R235 VanDerWaalsContact CE1-CD 3.43Å; Y231-R235 HydrophobicContact CE1-CG 4.33Å; Y231-R235 WeakPolarHBondContact O-CG 3.33Å; Y231-R235 PolarHBondContact O-N 3.21Å; L232-R235 PolarHBondContact O-N 3.48Å; A233-R235 PolarHBondContact O-N 2.54Å; R235-L237 VanDerWaalsContact C-N 3.3Å; R235-L237 PolarHBondContact O-N 3.5Å; R235-Q238 PolarHBondContact O-N 3.25Å
236A93.8Very high92.4Very high55 Ų5560.8 Ų60.846%0.45531%0.309SS..Hα-helixtrans-64.9-33.7176.800000112.7Y207 L232 A233Y207-A236 HydrophobicContact CE2-CB 4.23Å; L232-A236 WeakPolarHBondContact O-CB 3.32Å; L232-A236 PolarHBondContact O-N 2.7Å; A233-A236 PolarHBondContact O-N 3.02Å
237L94.5Very high92.2Very high66 Ų6661.2 Ų61.235%0.34631%0.311SS..THydrogen-bonded Turntrans-93.93.9177.9-62.3174.2000113.8L200 A233 A234 R235 I239L200-L237 HydrophobicContact CB-CD1 4.02Å; L200-L237 HydrophobicContact CD1-CD1 4.25Å; A233-L237 WeakPolarHBondContact O-CB 3.48Å; A233-L237 WeakPolarHBondContact O-CG 3.22Å; A233-L237 PolarHBondContact O-N 3.3Å; A234-L237 CarbonylContact O-C 2.94Å; A234-L237 PolarHBondContact O-N 3.13Å; R235-L237 VanDerWaalsContact C-N 3.3Å; R235-L237 PolarHBondContact O-N 3.5Å; L237-I239 HydrophobicContact CB-CD1 3.68Å; L237-I239 HydrophobicContact CB-CG1 3.91Å; L237-I239 HydrophobicContact CD1-CD1 3.95Å; L237-I239 HydrophobicContact CG-CD1 4.5Å; L237-I239 PolarHBondContact O-N 2.98Å
238Q93.2Very high92Very high181 Ų18161.4 Ų61.485%0.84631%0.312SS*.THydrogen-bonded Turntrans55.429.6-176.5-55.2-175.2-0.700114.7A234 R235A234-Q238 PolarHBondContact O-N 2.97Å; R235-Q238 PolarHBondContact O-N 3.25Å
239I91.3Very high91.7Very high39 Ų3965.8 Ų65.820%0.234%0.335CS..  trans-83.8122179.5-63.2166.4000109.3N197 L200 A234 L237 L241N197-I239 VanDerWaalsContact ND2-CD1 3.29Å; N197-I239 WeakPolarHBondContact ND2-CD1 3.27Å; L200-I239 HydrophobicContact CB-CD1 3.86Å; L200-I239 HydrophobicContact CD1-CD1 4.2Å; L200-I239 HydrophobicContact CD2-CD1 3.91Å; L200-I239 HydrophobicContact CD2-CG2 4.47Å; L200-I239 HydrophobicContact CG-CD1 4.2Å; A234-I239 HydrophobicContact CB-CB 4.41Å; A234-I239 PolarHBondContact O-N 3.11Å; L237-I239 HydrophobicContact CB-CD1 3.68Å; L237-I239 HydrophobicContact CB-CG1 3.91Å; L237-I239 HydrophobicContact CD1-CD1 3.95Å; L237-I239 HydrophobicContact CG-CD1 4.5Å; L237-I239 PolarHBondContact O-N 2.98Å; I239-L241 HydrophobicContact CG2-CD2 4.42Å; I239-L241 PolarHBondContact O-N 3.49Å
240P87.6Confident91.3Very high121 Ų12171 Ų7179%0.78636%0.362SS*.  trans-71.8129.2174.629.6-33.3000110.5
241L87.7Confident91Very high25 Ų2572.6 Ų72.613%0.13137%0.369CS..  trans-115.7157.6171.2-64.7-179.4000110.1A234 I239 T243 W247A234-L241 HydrophobicContact CB-CD1 3.49Å; A234-L241 VanDerWaalsContact CB-CD1 3.49Å; A234-L241 HydrophobicContact CB-CG 3.89Å; I239-L241 HydrophobicContact CG2-CD2 4.42Å; I239-L241 PolarHBondContact O-N 3.49Å; L241-T243 PolarHBondContact O-N 3.3Å; L241-W247 VanDerWaalsContact CB-CD1 3.48Å; L241-W247 HydrophobicContact CB-CG 4.35Å; L241-W247 HydrophobicContact CD1-CD2 4.46Å; L241-W247 HydrophobicContact CD1-CZ2 3.85Å
242P87.6Confident90.7Very high74 Ų7473.7 Ų73.748%0.48139%0.392SS..  trans-58.7130.3-173.6-25.133.9000114.3W247P242-W247 HydrophobicContact CB-CB 4.19Å; P242-W247 HydrophobicContact CG-CB 4.37Å; P242-W247 VanDerWaalsContact O-CD1 3.31Å; P242-W247 PolarHBondContact O-N 2.87Å
243T86.1Confident90.5Very high84 Ų8473.1 Ų73.152%0.51539%0.39SS..BIsolated β-bridgetrans-113.7-7.7-176.353.30000114.8L241 P245 H246L241-T243 PolarHBondContact O-N 3.3Å; T243-P245 CarbonylContact C-O 3.32Å; T243-P245 CarbonylContact O-C 3.52Å; T243-H246 PolarHBondContact O-N 3.33Å
244R86.2Confident90.4Very high239 Ų23975.8 Ų75.890%0.90241%0.406SS*.THydrogen-bonded Turntrans-136.496.5-179.8-66.8-173.1179.1126.2-1.2111.7
245P84.5Confident90.3Very high91 Ų9178.2 Ų78.259%0.59142%0.417SS*.THydrogen-bonded Turncis-63.4166.2-15.631.2-36.3000111.3T243 W247 L249T243-P245 CarbonylContact C-O 3.32Å; T243-P245 CarbonylContact O-C 3.52Å; P245-W247 PolarHBondContact O-N 3.29Å; P245-L249 HydrophobicContact CB-CD1 4.47Å
246H90.6Very high90.3Very high67 Ų6775.9 Ų75.931%0.3141%0.414SS..BIsolated β-bridgetrans-63.3127.1173.1-79.9-72.9000111T243 Y248 L249T243-H246 PolarHBondContact O-N 3.33Å; H246-Y248 HydrophobicContact CB-CD1 4.14Å; H246-Y248 HydrophobicContact CB-CD2 4.33Å; H246-Y248 HydrophobicContact CB-CE1 3.61Å; H246-Y248 HydrophobicContact CB-CE2 3.81Å; H246-Y248 HydrophobicContact CB-CG 4.47Å; H246-Y248 VanDerWaalsContact CB-CZ 3.4Å; H246-Y248 PolarHBondContact CD2-OH 3.47Å; H246-Y248 AromaticContact CG-CE1 3.81Å; H246-Y248 AromaticContact CG-CZ 3.6Å; H246-Y248 VanDerWaalsContact CG-OH 3.24Å; H246-Y248 AromaticContact ND1-CE1 3.77Å; H246-Y248 AromaticContact ND1-CZ 3.97Å; H246-Y248 PolarHBondContact O-N 3.19Å; H246-L249 HydrophobicContact CB-CD1 4Å; H246-L249 HydrophobicContact CB-CG 4.11Å; H246-L249 WeakPolarHBondContact O-CB 3.44Å; H246-L249 WeakPolarHBondContact O-CG 3.4Å; H246-L249 PolarHBondContact O-N 3.44Å
247W91.4Very high90.4Very high8 Ų875.9 Ų75.93%0.0340%0.404CS..G310 helixtrans-53.4-32.9-173.266.8-94.4000114.5L192 C227 M230 L241 P242 P245 L249 L250 F251L192-W247 HydrophobicContact CD1-CD2 3.95Å; L192-W247 HydrophobicContact CD1-CE3 3.68Å; L192-W247 HydrophobicContact CD1-CG 4.36Å; L192-W247 HydrophobicContact CD1-CZ3 4.17Å; L192-W247 HydrophobicContact CD2-CB 4.05Å; C227-W247 HydrophobicContact CB-CH2 4.1Å; C227-W247 HydrophobicContact CB-CZ3 4.25Å; C227-W247 WeakPolarHBondContact O-CH2 3.36Å; M230-W247 HydrophobicContact CB-CH2 3.8Å; M230-W247 HydrophobicContact CB-CZ2 4.35Å; M230-W247 HydrophobicContact CE-CE3 4.38Å; M230-W247 HydrophobicContact CE-CH2 3.69Å; M230-W247 HydrophobicContact CE-CZ3 3.56Å; M230-W247 HydrophobicContact SD-CH2 4.31Å; M230-W247 HydrophobicContact SD-CZ3 4.37Å; L241-W247 VanDerWaalsContact CB-CD1 3.48Å; L241-W247 HydrophobicContact CB-CG 4.35Å; L241-W247 HydrophobicContact CD1-CD2 4.46Å; L241-W247 HydrophobicContact CD1-CZ2 3.85Å; P242-W247 HydrophobicContact CB-CB 4.19Å; P242-W247 HydrophobicContact CG-CB 4.37Å; P242-W247 VanDerWaalsContact O-CD1 3.31Å; P242-W247 PolarHBondContact O-N 2.87Å; P245-W247 PolarHBondContact O-N 3.29Å; W247-L249 VanDerWaalsContact C-N 3.29Å; W247-L249 PolarHBondContact O-N 3.12Å; W247-L250 WeakPolarHBondContact O-CB 3.45Å; W247-L250 PolarHBondContact O-N 3.34Å; W247-F251 AromaticContact CE3-CD2 3.9Å; W247-F251 HydrophobicContact CE3-CD2 3.9Å; W247-F251 AromaticContact CE3-CE2 3.76Å; W247-F251 HydrophobicContact CE3-CE2 3.76Å; W247-F251 AromaticContact CZ3-CD2 3.88Å; W247-F251 HydrophobicContact CZ3-CD2 3.88Å; W247-F251 AromaticContact CZ3-CE2 3.91Å; W247-F251 HydrophobicContact CZ3-CE2 3.91Å
248Y91.6Very high90.4Very high4 Ų472.7 Ų72.72%0.01639%0.388CS..G310 helixtrans-72.7-20.5-176.852.5-107.3000113.5Y231 H246 L250 F251 A253 E255 I258Y231-Y248 HydrophobicContact CD2-CD1 4.46Å; Y231-Y248 HydrophobicContact CD2-CE1 4.45Å; Y231-Y248 HydrophobicContact CE2-CE1 4.39Å; H246-Y248 HydrophobicContact CB-CD1 4.14Å; H246-Y248 HydrophobicContact CB-CD2 4.33Å; H246-Y248 HydrophobicContact CB-CE1 3.61Å; H246-Y248 HydrophobicContact CB-CE2 3.81Å; H246-Y248 HydrophobicContact CB-CG 4.47Å; H246-Y248 VanDerWaalsContact CB-CZ 3.4Å; H246-Y248 PolarHBondContact CD2-OH 3.47Å; H246-Y248 AromaticContact CG-CE1 3.81Å; H246-Y248 AromaticContact CG-CZ 3.6Å; H246-Y248 VanDerWaalsContact CG-OH 3.24Å; H246-Y248 AromaticContact ND1-CE1 3.77Å; H246-Y248 AromaticContact ND1-CZ 3.97Å; H246-Y248 PolarHBondContact O-N 3.19Å; Y248-L250 PolarHBondContact O-N 3.38Å; Y248-F251 PolarHBondContact O-N 2.95Å; Y248-A253 WeakPolarHBondContact CD2-O 3.43Å; Y248-A253 PolarHBondContact O-N 3.42Å; Y248-E255 HydrophobicContact CE2-CB 4.13Å; Y248-E255 HydrophobicContact CE2-CG 4.49Å; Y248-E255 WeakPolarHBondContact OH-CB 3.45Å; Y248-E255 VanDerWaalsContact OH-CG 3.22Å; Y248-E255 WeakPolarHBondContact OH-CG 3.26Å; Y248-I258 HydrophobicContact CD1-CD1 3.84Å; Y248-I258 HydrophobicContact CD2-CD1 3.68Å; Y248-I258 HydrophobicContact CE1-CD1 4.48Å; Y248-I258 HydrophobicContact CE2-CD1 4.35Å; Y248-I258 HydrophobicContact CG-CD1 3.4Å
249L91.5Very high90.5Very high94 Ų9468 Ų6849%0.49236%0.364SS..G310 helixtrans-65.5-28.9175.9-60.1172.8000111.7P245 H246 W247 F251 G252P245-L249 HydrophobicContact CB-CD1 4.47Å; H246-L249 HydrophobicContact CB-CD1 4Å; H246-L249 HydrophobicContact CB-CG 4.11Å; H246-L249 WeakPolarHBondContact O-CB 3.44Å; H246-L249 WeakPolarHBondContact O-CG 3.4Å; H246-L249 PolarHBondContact O-N 3.44Å; W247-L249 VanDerWaalsContact C-N 3.29Å; W247-L249 PolarHBondContact O-N 3.12Å; L249-F251 PolarHBondContact O-N 2.95Å; L249-G252 PolarHBondContact O-N 3.24Å; L249-G252 VanDerWaalsContact O-N 3.15Å
250L88.3Confident90.7Very high111 Ų11169.8 Ų69.858%0.58137%0.372SS*.G310 helixtrans-64.1-19.2174.4-58.7175.4000112.8F191 W247 Y248F191-L250 HydrophobicContact CE1-CD1 4.12Å; W247-L250 WeakPolarHBondContact O-CB 3.45Å; W247-L250 PolarHBondContact O-N 3.34Å; Y248-L250 PolarHBondContact O-N 3.38Å
251F89.3Confident91.1Very high34 Ų3464 Ų6415%0.14933%0.334CS..G310 helixtrans-106.89.7179.6-55.8-48.5000112.7Y188 F191 W247 Y248 L249 A253Y188-F251 AromaticContact CD1-CD1 3.68Å; Y188-F251 HydrophobicContact CD1-CD1 3.68Å; Y188-F251 HydrophobicContact CD1-CD2 4.29Å; Y188-F251 AromaticContact CD1-CE1 3.43Å; Y188-F251 HydrophobicContact CD1-CE1 3.43Å; Y188-F251 VanDerWaalsContact CD1-CE1 3.43Å; Y188-F251 HydrophobicContact CD1-CE2 4.06Å; Y188-F251 HydrophobicContact CD1-CG 4.11Å; Y188-F251 AromaticContact CD1-CZ 3.63Å; Y188-F251 HydrophobicContact CD1-CZ 3.63Å; Y188-F251 HydrophobicContact CD2-CB 4.45Å; Y188-F251 HydrophobicContact CD2-CD1 4.33Å; Y188-F251 AromaticContact CD2-CD2 3.68Å; Y188-F251 HydrophobicContact CD2-CD2 3.68Å; Y188-F251 AromaticContact CD2-CE2 3.9Å; Y188-F251 HydrophobicContact CD2-CE2 3.9Å; Y188-F251 AromaticContact CD2-CG 3.9Å; Y188-F251 HydrophobicContact CD2-CG 3.9Å; Y188-F251 HydrophobicContact CD2-CZ 4.32Å; Y188-F251 HydrophobicContact CE1-CB 4.41Å; Y188-F251 AromaticContact CE1-CD1 3.36Å; Y188-F251 HydrophobicContact CE1-CD1 3.36Å; Y188-F251 HydrophobicContact CE1-CD2 4.44Å; Y188-F251 AromaticContact CE1-CE1 3.59Å; Y188-F251 HydrophobicContact CE1-CE1 3.59Å; Y188-F251 AromaticContact CE1-CG 3.83Å; Y188-F251 HydrophobicContact CE1-CG 3.83Å; Y188-F251 HydrophobicContact CE1-CZ 4.21Å; Y188-F251 HydrophobicContact CE2-CB 3.74Å; Y188-F251 HydrophobicContact CE2-CD1 4.06Å; Y188-F251 AromaticContact CE2-CD2 3.85Å; Y188-F251 HydrophobicContact CE2-CD2 3.85Å; Y188-F251 HydrophobicContact CE2-CE2 4.46Å; Y188-F251 AromaticContact CE2-CG 3.61Å; Y188-F251 HydrophobicContact CE2-CG 3.61Å; Y188-F251 HydrophobicContact CG-CD1 4.16Å; Y188-F251 AromaticContact CG-CD2 3.92Å; Y188-F251 HydrophobicContact CG-CD2 3.92Å; Y188-F251 AromaticContact CG-CE1 3.95Å; Y188-F251 HydrophobicContact CG-CE1 3.95Å; Y188-F251 AromaticContact CG-CE2 3.67Å; Y188-F251 HydrophobicContact CG-CE2 3.67Å; Y188-F251 HydrophobicContact CG-CG 4.15Å; Y188-F251 AromaticContact CG-CZ 3.69Å; Y188-F251 HydrophobicContact CG-CZ 3.69Å; Y188-F251 AromaticContact CZ-CD1 3.57Å; Y188-F251 AromaticContact CZ-CG 3.57Å; F191-F251 HydrophobicContact CB-CZ 4.33Å; F191-F251 HydrophobicContact CD1-CE1 4.14Å; F191-F251 AromaticContact CD1-CZ 3.7Å; F191-F251 HydrophobicContact CD1-CZ 3.7Å; F191-F251 HydrophobicContact CE1-CZ 4.38Å; F191-F251 HydrophobicContact CG-CE1 4.48Å; F191-F251 HydrophobicContact CG-CZ 4.23Å; W247-F251 AromaticContact CE3-CD2 3.9Å; W247-F251 HydrophobicContact CE3-CD2 3.9Å; W247-F251 AromaticContact CE3-CE2 3.76Å; W247-F251 HydrophobicContact CE3-CE2 3.76Å; W247-F251 AromaticContact CZ3-CD2 3.88Å; W247-F251 HydrophobicContact CZ3-CD2 3.88Å; W247-F251 AromaticContact CZ3-CE2 3.91Å; W247-F251 HydrophobicContact CZ3-CE2 3.91Å; Y248-F251 PolarHBondContact O-N 2.95Å; L249-F251 PolarHBondContact O-N 2.95Å; F251-A253 VanDerWaalsContact C-N 3.28Å; F251-A253 PolarHBondContact O-N 2.86Å
252G88.2Confident91.6Very high64 Ų6463.3 Ų63.366%0.6633%0.331SS*.THydrogen-bonded Turntrans75.37.7177.100000115.5L249L249-G252 PolarHBondContact O-N 3.24Å; L249-G252 VanDerWaalsContact O-N 3.15Å
253A92.6Very high91.9Very high2 Ų263.9 Ų63.92%0.01733%0.329CS..  trans-86.9139.9178.600000111.6T224 C227 Y248 F251 I258T224-A253 HydrophobicContact CG2-CB 4Å; C227-A253 HydrophobicContact CB-CB 3.94Å; Y248-A253 WeakPolarHBondContact CD2-O 3.43Å; Y248-A253 PolarHBondContact O-N 3.42Å; F251-A253 VanDerWaalsContact C-N 3.28Å; F251-A253 PolarHBondContact O-N 2.86Å; A253-I258 HydrophobicContact CB-CD1 3.93Å; A253-I258 HydrophobicContact CB-CG1 4.34Å
254T93.9Very high92.3Very high56 Ų5660.8 Ų60.834%0.34431%0.311SS..  trans-88.8161.4174.364.10000112.4E256 E257 I258T254-E256 VanDerWaalsContact C-N 3.29Å; T254-E257 WeakPolarHBondContact CB-OE2 3.35Å; T254-E257 PolarHBondContact N-OE2 3.36Å; T254-E257 WeakPolarHBondContact OG1-CB 2.88Å; T254-E257 VanDerWaalsContact OG1-CD 3.28Å; T254-E257 WeakPolarHBondContact OG1-CG 3.34Å; T254-E257 PolarHBondContact OG1-N 3.23Å; T254-E257 PolarHBondContact OG1-OE2 3.29Å; T254-I258 WeakPolarHBondContact O-CB 3.34Å; T254-I258 WeakPolarHBondContact O-CD1 3.42Å; T254-I258 VanDerWaalsContact O-CG1 3.29Å; T254-I258 WeakPolarHBondContact O-CG1 3.45Å; T254-I258 PolarHBondContact O-N 2.92Å
255E92.8Very high92.8Very high54 Ų5449.5 Ų49.525%0.25227%0.268SS..Hα-helixtrans-71.2-31.1176.2-156.7-171.4-175.500111.1Y248 I258 K259Y248-E255 HydrophobicContact CE2-CB 4.13Å; Y248-E255 HydrophobicContact CE2-CG 4.49Å; Y248-E255 WeakPolarHBondContact OH-CB 3.45Å; Y248-E255 VanDerWaalsContact OH-CG 3.22Å; Y248-E255 WeakPolarHBondContact OH-CG 3.26Å; E255-I258 PolarHBondContact O-N 2.73Å; E255-K259 HydrophobicContact CG-CD 4.16Å; E255-K259 HydrophobicContact CG-CG 4.45Å; E255-K259 VanDerWaalsContact O-CB 3.31Å; E255-K259 WeakPolarHBondContact O-CB 3.42Å; E255-K259 WeakPolarHBondContact O-CD 3.09Å; E255-K259 WeakPolarHBondContact O-CG 3.3Å; E255-K259 PolarHBondContact O-N 2.88Å; E255-K259 WeakPolarHBondContact OE1-CE 3Å; E255-K259 IonicContact OE1-NZ 2.89Å; E255-K259 PolarHBondContact OE1-NZ 3.31Å; E255-K259 WeakPolarHBondContact OE2-CE 3.29Å; E255-K259 IonicContact OE2-NZ 2.86Å; E255-K259 PolarHBondContact OE2-NZ 2.69Å
256E94.6Very high93.2Very high125 Ų12548.7 Ų48.758%0.58426%0.259SS*.Hα-helixtrans-62.7-53.3179-68.359.6-134.900111T254 I258 K259 E260T254-E256 VanDerWaalsContact C-N 3.29Å; E256-I258 VanDerWaalsContact C-N 3.35Å; E256-I258 PolarHBondContact O-N 3.09Å; E256-K259 PolarHBondContact O-N 2.77Å; E256-E260 PolarHBondContact O-N 2.91Å
257E94.7Very high93.3Very high54 Ų5451.4 Ų51.425%0.25227%0.269SS..Hα-helixtrans-61.2-43.7175.6-66.7165.7110.900111.3F220 T224 T254 K259 E260 I261F220-E257 HydrophobicContact CD1-CB 4.11Å; F220-E257 HydrophobicContact CD1-CG 3.98Å; F220-E257 HydrophobicContact CE1-CB 4.06Å; F220-E257 HydrophobicContact CE1-CG 3.93Å; T224-E257 HydrophobicContact CG2-CB 3.55Å; T224-E257 HydrophobicContact CG2-CG 4.19Å; T254-E257 WeakPolarHBondContact CB-OE2 3.35Å; T254-E257 PolarHBondContact N-OE2 3.36Å; T254-E257 WeakPolarHBondContact OG1-CB 2.88Å; T254-E257 VanDerWaalsContact OG1-CD 3.28Å; T254-E257 WeakPolarHBondContact OG1-CG 3.34Å; T254-E257 PolarHBondContact OG1-N 3.23Å; T254-E257 PolarHBondContact OG1-OE2 3.29Å; E257-K259 PolarHBondContact O-N 2.69Å; E257-E260 PolarHBondContact O-N 3.49Å; E257-I261 WeakPolarHBondContact O-CB 3.43Å; E257-I261 WeakPolarHBondContact O-CD1 3.36Å; E257-I261 VanDerWaalsContact O-CG1 3.25Å; E257-I261 WeakPolarHBondContact O-CG1 3.5Å; E257-I261 PolarHBondContact O-N 3.08Å
258I95.6Very high93.4Very high0 Ų052 Ų520%027%0.273CS..Hα-helixtrans-60.5-47178.6-76171.1000110.7C227 A228 Y231 Y248 A253 T254 E255 E256 I261 C262C227-I258 HydrophobicContact CB-CD1 3.92Å; C227-I258 HydrophobicContact CB-CG1 4.32Å; A228-I258 HydrophobicContact CB-CB 4.46Å; A228-I258 HydrophobicContact CB-CG1 4.24Å; A228-I258 HydrophobicContact CB-CG2 4.43Å; Y231-I258 HydrophobicContact CD1-CG2 3.72Å; Y231-I258 HydrophobicContact CD2-CG2 4.15Å; Y231-I258 HydrophobicContact CE1-CG2 4.18Å; Y231-I258 HydrophobicContact CG-CG2 3.7Å; Y248-I258 HydrophobicContact CD1-CD1 3.84Å; Y248-I258 HydrophobicContact CD2-CD1 3.68Å; Y248-I258 HydrophobicContact CE1-CD1 4.48Å; Y248-I258 HydrophobicContact CE2-CD1 4.35Å; Y248-I258 HydrophobicContact CG-CD1 3.4Å; A253-I258 HydrophobicContact CB-CD1 3.93Å; A253-I258 HydrophobicContact CB-CG1 4.34Å; T254-I258 WeakPolarHBondContact O-CB 3.34Å; T254-I258 WeakPolarHBondContact O-CD1 3.42Å; T254-I258 VanDerWaalsContact O-CG1 3.29Å; T254-I258 WeakPolarHBondContact O-CG1 3.45Å; T254-I258 PolarHBondContact O-N 2.92Å; E255-I258 PolarHBondContact O-N 2.73Å; E256-I258 VanDerWaalsContact C-N 3.35Å; E256-I258 PolarHBondContact O-N 3.09Å; I258-I261 PolarHBondContact O-N 3.05Å; I258-C262 VanDerWaalsContact O-CB 3.3Å; I258-C262 WeakPolarHBondContact O-CB 3.39Å; I258-C262 PolarHBondContact O-N 3.22Å; I258-C262 PolarHBondContact O-SG 2.6Å
259K95.4Very high93.3Very high82 Ų8257 Ų5736%0.35729%0.293SS..Hα-helixtrans-59.1-45.6174.5-77164.2-178157.80110.9E255 E256 E257 C262 I263E255-K259 HydrophobicContact CG-CD 4.16Å; E255-K259 HydrophobicContact CG-CG 4.45Å; E255-K259 VanDerWaalsContact O-CB 3.31Å; E255-K259 WeakPolarHBondContact O-CB 3.42Å; E255-K259 WeakPolarHBondContact O-CD 3.09Å; E255-K259 WeakPolarHBondContact O-CG 3.3Å; E255-K259 PolarHBondContact O-N 2.88Å; E255-K259 WeakPolarHBondContact OE1-CE 3Å; E255-K259 IonicContact OE1-NZ 2.89Å; E255-K259 PolarHBondContact OE1-NZ 3.31Å; E255-K259 WeakPolarHBondContact OE2-CE 3.29Å; E255-K259 IonicContact OE2-NZ 2.86Å; E255-K259 PolarHBondContact OE2-NZ 2.69Å; E256-K259 PolarHBondContact O-N 2.77Å; E257-K259 PolarHBondContact O-N 2.69Å; K259-C262 PolarHBondContact O-N 3.46Å; K259-I263 WeakPolarHBondContact O-CB 3.42Å; K259-I263 WeakPolarHBondContact O-CD1 3.27Å; K259-I263 WeakPolarHBondContact O-CG1 3.23Å; K259-I263 PolarHBondContact O-N 2.8Å
260E95.5Very high93.2Very high76 Ų7658 Ų5836%0.35530%0.303SS..Hα-helixtrans-66.5-43.5-179.8-171.3172.7-163.500112.7R219 F220 E256 E257 C262 I263 T264R219-E260 IonicContact CZ-OE1 2.72Å; R219-E260 IonicContact CZ-OE2 2.61Å; R219-E260 IonicContact NH1-OE1 3.88Å; R219-E260 PolarHBondContact NH1-OE1 3.1Å; R219-E260 IonicContact NH1-OE2 3.66Å; R219-E260 PolarHBondContact NH1-OE2 3.31Å; R219-E260 IonicContact NH2-OE1 3.32Å; R219-E260 PolarHBondContact NH2-OE1 3.4Å; R219-E260 IonicContact NH2-OE2 2.67Å; R219-E260 PolarHBondContact NH2-OE2 3.33Å; F220-E260 HydrophobicContact CZ-CB 4.4Å; F220-E260 HydrophobicContact CZ-CG 4.37Å; E256-E260 PolarHBondContact O-N 2.91Å; E257-E260 PolarHBondContact O-N 3.49Å; E260-C262 VanDerWaalsContact C-N 3.33Å; E260-C262 PolarHBondContact O-N 3.02Å; E260-I263 PolarHBondContact O-N 3.34Å; E260-T264 WeakPolarHBondContact O-CB 3.32Å; E260-T264 PolarHBondContact O-N 2.74Å; E260-T264 PolarHBondContact O-OG1 3.45Å
261I96.3Very high93.3Very high0 Ų056.5 Ų56.50%029%0.29CS..Hα-helixtrans-62.8-41.7176.5-65.6162000110.3V216 F220 T224 I225 A228 E257 I258 T264 T265V216-I261 HydrophobicContact CB-CG1 4.41Å; V216-I261 HydrophobicContact CB-CG2 4.39Å; V216-I261 HydrophobicContact CG1-CB 4.39Å; V216-I261 HydrophobicContact CG1-CG1 4.2Å; V216-I261 HydrophobicContact CG1-CG2 4.12Å; F220-I261 HydrophobicContact CB-CD1 3.89Å; F220-I261 HydrophobicContact CD1-CD1 4.08Å; F220-I261 HydrophobicContact CD1-CG1 4.34Å; F220-I261 HydrophobicContact CD2-CD1 3.77Å; F220-I261 HydrophobicContact CD2-CG1 3.43Å; F220-I261 VanDerWaalsContact CD2-CG1 3.43Å; F220-I261 HydrophobicContact CE1-CG1 4.45Å; F220-I261 HydrophobicContact CE2-CD1 4.31Å; F220-I261 HydrophobicContact CE2-CG1 3.57Å; F220-I261 HydrophobicContact CG-CD1 3.64Å; F220-I261 HydrophobicContact CG-CG1 3.85Å; F220-I261 HydrophobicContact CZ-CG1 4.09Å; T224-I261 HydrophobicContact CG2-CD1 3.84Å; I225-I261 HydrophobicContact CG1-CD1 4.18Å; A228-I261 HydrophobicContact CB-CB 3.59Å; A228-I261 HydrophobicContact CB-CD1 3.97Å; A228-I261 HydrophobicContact CB-CG1 4.4Å; A228-I261 HydrophobicContact CB-CG2 3.4Å; E257-I261 WeakPolarHBondContact O-CB 3.43Å; E257-I261 WeakPolarHBondContact O-CD1 3.36Å; E257-I261 VanDerWaalsContact O-CG1 3.25Å; E257-I261 WeakPolarHBondContact O-CG1 3.5Å; E257-I261 PolarHBondContact O-N 3.08Å; I258-I261 PolarHBondContact O-N 3.05Å; I261-T264 PolarHBondContact O-N 2.98Å; I261-T265 WeakPolarHBondContact O-CB 3.42Å; I261-T265 PolarHBondContact O-N 2.81Å; I261-T265 PolarHBondContact O-OG1 3.07Å
262C96.3Very high93.1Very high10 Ų1064.2 Ų64.27%0.06832%0.323CS..Hα-helixtrans-62.5-48.6175.2-70.70000111.7A228 L232 I258 K259 E260 T264 T265 L266A228-C262 PolarHBondContact O-SG 3.5Å; L232-C262 HydrophobicContact CD1-CB 4.4Å; I258-C262 VanDerWaalsContact O-CB 3.3Å; I258-C262 WeakPolarHBondContact O-CB 3.39Å; I258-C262 PolarHBondContact O-N 3.22Å; I258-C262 PolarHBondContact O-SG 2.6Å; K259-C262 PolarHBondContact O-N 3.46Å; E260-C262 VanDerWaalsContact C-N 3.33Å; E260-C262 PolarHBondContact O-N 3.02Å; C262-T264 VanDerWaalsContact C-N 3.33Å; C262-T264 PolarHBondContact O-N 3.16Å; C262-T265 PolarHBondContact O-N 3.08Å; C262-L266 WeakPolarHBondContact O-CB 3.38Å; C262-L266 VanDerWaalsContact O-CG 3.29Å; C262-L266 WeakPolarHBondContact O-CG 3.46Å; C262-L266 PolarHBondContact O-N 3.46Å
263I95.6Very high92.8Very high86 Ų8669.6 Ų69.644%0.44133%0.328SS..Hα-helixtrans-62.7-41.1178-71.6165.2000110.8K259 E260 L266 K267K259-I263 WeakPolarHBondContact O-CB 3.42Å; K259-I263 WeakPolarHBondContact O-CD1 3.27Å; K259-I263 WeakPolarHBondContact O-CG1 3.23Å; K259-I263 PolarHBondContact O-N 2.8Å; E260-I263 PolarHBondContact O-N 3.34Å; I263-L266 PolarHBondContact O-N 3.07Å; I263-K267 HydrophobicContact CG2-CD 4.02Å; I263-K267 VanDerWaalsContact CG2-CE 3.48Å; I263-K267 HydrophobicContact CG2-CG 4.45Å; I263-K267 WeakPolarHBondContact O-CB 3.42Å; I263-K267 WeakPolarHBondContact O-CG 3.43Å; I263-K267 PolarHBondContact O-N 3.18Å
264T94.7Very high92.4Very high20 Ų2070.8 Ų70.812%0.12334%0.336CS..Hα-helixtrans-67.1-38.8179.2-60.10000111.7T214 V216 E260 I261 C262T214-T264 HydrophobicContact CG2-CG2 4.37Å; V216-T264 HydrophobicContact CG1-CG2 3.78Å; E260-T264 WeakPolarHBondContact O-CB 3.32Å; E260-T264 PolarHBondContact O-N 2.74Å; E260-T264 PolarHBondContact O-OG1 3.45Å; I261-T264 PolarHBondContact O-N 2.98Å; C262-T264 VanDerWaalsContact C-N 3.33Å; C262-T264 PolarHBondContact O-N 3.16Å
265T94.8Very high92Very high1 Ų171.6 Ų71.61%0.00634%0.338CS..Hα-helixtrans-69.1-45.3173.8-53.10000111.1Y207 S211 L232 I261 C262 K267 L268Y207-T265 HydrophobicContact CD1-CG2 4.42Å; S211-T265 WeakPolarHBondContact CB-OG1 3.2Å; L232-T265 HydrophobicContact CD2-CG2 4.3Å; I261-T265 WeakPolarHBondContact O-CB 3.42Å; I261-T265 PolarHBondContact O-N 2.81Å; I261-T265 PolarHBondContact O-OG1 3.07Å; C262-T265 PolarHBondContact O-N 3.08Å; T265-K267 VanDerWaalsContact C-N 3.33Å; T265-K267 PolarHBondContact O-N 3.45Å; T265-L268 WeakPolarHBondContact O-CB 3.44Å; T265-L268 PolarHBondContact O-N 3.2Å
266L94.4Very high91.5Very high75 Ų7570.3 Ų70.339%0.39333%0.331SS..Hα-helixtrans-65-33.8178.7-73.6173.5000113.1L232 C262 I263 L268 Y269L232-L266 HydrophobicContact CD1-CD1 3.96Å; L232-L266 HydrophobicContact CD1-CD2 4.2Å; L232-L266 HydrophobicContact CD1-CG 4.11Å; L232-L266 HydrophobicContact CD2-CD2 4.45Å; L232-L266 HydrophobicContact CD2-CG 4.36Å; C262-L266 WeakPolarHBondContact O-CB 3.38Å; C262-L266 VanDerWaalsContact O-CG 3.29Å; C262-L266 WeakPolarHBondContact O-CG 3.46Å; C262-L266 PolarHBondContact O-N 3.46Å; I263-L266 PolarHBondContact O-N 3.07Å; L266-L268 PolarHBondContact O-N 3.31Å; L266-L268 VanDerWaalsContact O-N 3.15Å; L266-Y269 HydrophobicContact CD2-CD2 4.14Å; L266-Y269 HydrophobicContact CD2-CE2 4.29Å; L266-Y269 PolarHBondContact O-N 2.98Å; L266-Y269 VanDerWaalsContact O-N 3.12Å
267K93Very high91.1Very high124 Ų12469.5 Ų69.554%0.53933%0.327SS..Hα-helixtrans-58.6-19.6171.3-81.1167.3179.5170.80113.2I263 T265 T270 R271I263-K267 HydrophobicContact CG2-CD 4.02Å; I263-K267 VanDerWaalsContact CG2-CE 3.48Å; I263-K267 HydrophobicContact CG2-CG 4.45Å; I263-K267 WeakPolarHBondContact O-CB 3.42Å; I263-K267 WeakPolarHBondContact O-CG 3.43Å; I263-K267 PolarHBondContact O-N 3.18Å; T265-K267 VanDerWaalsContact C-N 3.33Å; T265-K267 PolarHBondContact O-N 3.45Å; K267-T270 PolarHBondContact O-OG1 2.89Å; K267-R271 WeakPolarHBondContact O-CG 3.37Å
268L91.8Very high90.8Very high21 Ų2173.1 Ų73.111%0.1134%0.344CS..Hα-helixtrans-65.8-42.7174.1-170.767.9000111.4I64 D210 R213 T265 L266 T270 R271I64-L268 HydrophobicContact CD1-CD1 3.79Å; I64-L268 HydrophobicContact CG1-CD1 3.96Å; I64-L268 HydrophobicContact CG2-CD1 4.22Å; D210-L268 HydrophobicContact CB-CD2 4.09Å; D210-L268 WeakPolarHBondContact O-CD2 3.28Å; R213-L268 HydrophobicContact CB-CD1 4.15Å; R213-L268 HydrophobicContact CB-CD2 4.21Å; T265-L268 WeakPolarHBondContact O-CB 3.44Å; T265-L268 PolarHBondContact O-N 3.2Å; L266-L268 PolarHBondContact O-N 3.31Å; L266-L268 VanDerWaalsContact O-N 3.15Å; L268-T270 VanDerWaalsContact C-N 3.3Å; L268-T270 PolarHBondContact O-N 3.31Å; L268-R271 PolarHBondContact O-N 3.05Å
269Y90.3Very high90.5Very high108 Ų10873.8 Ų73.842%0.42435%0.348SS..Hα-helixtrans-75-16.6-175.5-51.4-62.5000113.7Y207 D210 L266Y207-Y269 HydrophobicContact CD1-CE2 4.22Å; Y207-Y269 VanDerWaalsContact CD1-OH 3.32Å; Y207-Y269 WeakPolarHBondContact CD1-OH 3.31Å; Y207-Y269 AromaticContact CE1-CE2 3.94Å; Y207-Y269 HydrophobicContact CE1-CE2 3.94Å; D210-Y269 WeakPolarHBondContact CB-OH 3.48Å; D210-Y269 VanDerWaalsContact OD2-CE1 3.31Å; D210-Y269 WeakPolarHBondContact OD2-CE1 3.22Å; D210-Y269 PolarHBondContact OD2-OH 3.26Å; L266-Y269 HydrophobicContact CD2-CD2 4.14Å; L266-Y269 HydrophobicContact CD2-CE2 4.29Å; L266-Y269 PolarHBondContact O-N 2.98Å; L266-Y269 VanDerWaalsContact O-N 3.12Å
270T90.2Very high90.2Very high116 Ų11673.2 Ų73.271%0.71235%0.346SS*.THydrogen-bonded Turntrans-91.9-8.5176.9620000113.6K267 L268K267-T270 PolarHBondContact O-OG1 2.89Å; L268-T270 VanDerWaalsContact C-N 3.3Å; L268-T270 PolarHBondContact O-N 3.31Å
271R88.6Confident89.9Confident79 Ų7975.7 Ų75.730%0.29836%0.356SS..SBendtrans-76.2140175.9-68.9-175.985.181.43.2111.2N57 D61 K267 L268N57-R271 PolarHBondContact O-NH2 3.42Å; N57-R271 PolarHBondContact OD1-NH1 2.92Å; N57-R271 PolarHBondContact OD1-NH2 2.95Å; D61-R271 IonicContact OD1-CZ 2.79Å; D61-R271 VanDerWaalsContact OD1-CZ 3.24Å; D61-R271 IonicContact OD1-NE 3.49Å; D61-R271 PolarHBondContact OD1-NE 3.16Å; D61-R271 IonicContact OD1-NH2 3.56Å; D61-R271 PolarHBondContact OD1-NH2 3.28Å; D61-R271 IonicContact OD2-CZ 3.37Å; D61-R271 IonicContact OD2-NH2 3.18Å; D61-R271 PolarHBondContact OD2-NH2 2.61Å; K267-R271 WeakPolarHBondContact O-CG 3.37Å; L268-R271 PolarHBondContact O-N 3.05Å
272K86.3Confident89.6Confident195 Ų19577.6 Ų77.685%0.84837%0.365SS*.PPolyproline II helixtrans-67.9143.4167.2-65179.4-179.2177.60108.9
273K82.1Confident89.4Confident177 Ų17778 Ų7877%0.7737%0.367SS*.PPolyproline II helixtrans-58.7124.8179.7-174.2168.8-172.9163.20110.6
274P83.1Confident89.2Confident27 Ų2777.9 Ų77.918%0.17537%0.365CS..PPolyproline II helixtrans-67.5138.7-174.424.1-33.6000112.9D61 Y276 L279D61-P274 HydrophobicContact CB-CB 3.9Å; P274-Y276 PolarHBondContact O-N 2.67Å; P274-L279 HydrophobicContact CB-CD1 3.84Å
275N85.3Confident89.1Confident74 Ų7483.5 Ų83.540%0.39638%0.384SS..  trans-88.4106.4175.7-176.4-9.3000110.5E277 Q278 L279N275-E277 VanDerWaalsContact C-N 3.27Å; N275-E277 PolarHBondContact O-N 2.96Å; N275-E277 PolarHBondContact OD1-N 3.21Å; N275-Q278 HydrophobicContact CB-CB 4.25Å; N275-Q278 HydrophobicContact CB-CG 4.3Å; N275-Q278 VanDerWaalsContact CB-OE1 3.24Å; N275-Q278 PolarHBondContact ND2-OE1 2.66Å; N275-Q278 VanDerWaalsContact ND2-OE1 3.08Å; N275-Q278 PolarHBondContact O-N 3.45Å; N275-Q278 VanDerWaalsContact O-N 3.13Å; N275-L279 PolarHBondContact O-N 2.83Å
276Y84.3Confident89Confident26 Ų2686 Ų8610%0.10239%0.393CS..Hα-helixtrans-46.8-47.3179.8-178.8-79.7000113.2L65 F105 E106 R140 P274 Q278 L279 E280L65-Y276 HydrophobicContact CD1-CD2 4.31Å; L65-Y276 HydrophobicContact CD2-CD2 3.76Å; L65-Y276 HydrophobicContact CD2-CE2 4.32Å; L65-Y276 HydrophobicContact CG-CD2 4.47Å; F105-Y276 HydrophobicContact CE1-CE2 4.35Å; F105-Y276 AromaticContact CE2-CE2 3.95Å; F105-Y276 HydrophobicContact CE2-CE2 3.95Å; F105-Y276 HydrophobicContact CZ-CD2 4.14Å; F105-Y276 AromaticContact CZ-CE2 3.36Å; F105-Y276 HydrophobicContact CZ-CE2 3.36Å; F105-Y276 AromaticContact CZ-CZ 3.88Å; E106-Y276 VanDerWaalsContact CD-OH 3.27Å; E106-Y276 HydrophobicContact CG-CE2 4.43Å; E106-Y276 WeakPolarHBondContact OE1-CE2 3.28Å; E106-Y276 PolarHBondContact OE1-OH 2.9Å; R140-Y276 VanDerWaalsContact CZ-CD2 3.45Å; R140-Y276 VanDerWaalsContact CZ-CE2 3.44Å; R140-Y276 VanDerWaalsContact NH2-CE1 3.25Å; P274-Y276 PolarHBondContact O-N 2.67Å; Y276-Q278 VanDerWaalsContact C-N 3.33Å; Y276-Q278 PolarHBondContact O-N 3Å; Y276-L279 PolarHBondContact O-N 3.5Å; Y276-E280 HydrophobicContact CD1-CB 4.43Å; Y276-E280 HydrophobicContact CE1-CB 3.88Å; Y276-E280 VanDerWaalsContact CE1-CD 3.43Å; Y276-E280 HydrophobicContact CE1-CG 4.21Å; Y276-E280 WeakPolarHBondContact CE1-OE1 3.15Å; Y276-E280 WeakPolarHBondContact O-CB 3.47Å; Y276-E280 PolarHBondContact O-N 3.35Å; Y276-E280 PolarHBondContact OH-OE1 3.44Å
277E85.7Confident88.9Confident108 Ų10886.7 Ų86.751%0.50539%0.392SS..Hα-helixtrans-69.9-30.6-173.8-69-167.5-163.200113.2N275 K281N275-E277 VanDerWaalsContact C-N 3.27Å; N275-E277 PolarHBondContact O-N 2.96Å; N275-E277 PolarHBondContact OD1-N 3.21Å; E277-K281 WeakPolarHBondContact O-CB 3.47Å; E277-K281 VanDerWaalsContact O-CD 3.23Å; E277-K281 WeakPolarHBondContact O-CD 3.34Å; E277-K281 WeakPolarHBondContact O-CG 3.4Å; E277-K281 PolarHBondContact O-N 3.2Å; E277-K281 VanDerWaalsContact O-N 3.11Å; E277-K281 IonicContact OE2-NZ 3.87Å; E277-K281 PolarHBondContact OE2-NZ 3.19Å
278Q88.6Confident88.8Confident130 Ų13084.7 Ų84.761%0.60739%0.39SS*.Hα-helixtrans-73-42177.4-72.3173.1-3500110.1N275 Y276 K281 E282N275-Q278 HydrophobicContact CB-CB 4.25Å; N275-Q278 HydrophobicContact CB-CG 4.3Å; N275-Q278 VanDerWaalsContact CB-OE1 3.24Å; N275-Q278 PolarHBondContact ND2-OE1 2.66Å; N275-Q278 VanDerWaalsContact ND2-OE1 3.08Å; N275-Q278 PolarHBondContact O-N 3.45Å; N275-Q278 VanDerWaalsContact O-N 3.13Å; Y276-Q278 VanDerWaalsContact C-N 3.33Å; Y276-Q278 PolarHBondContact O-N 3Å; Q278-K281 PolarHBondContact O-N 3.19Å; Q278-E282 WeakPolarHBondContact O-CB 3.45Å; Q278-E282 PolarHBondContact O-N 3.41Å
279L88.7Confident88.8Confident14 Ų1490.3 Ų90.37%0.07341%0.414CS..Hα-helixtrans-64.6-43.3175-62173.9000112.2T58 D61 L62 L65 P274 N275 Y276 E282 V283T58-L279 HydrophobicContact CG2-CD2 3.82Å; D61-L279 HydrophobicContact CB-CD1 4Å; D61-L279 HydrophobicContact CB-CD2 4.15Å; L62-L279 HydrophobicContact CD2-CB 4Å; L62-L279 HydrophobicContact CD2-CD1 4.42Å; L62-L279 HydrophobicContact CG-CB 4.44Å; L62-L279 HydrophobicContact CG-CD1 4.49Å; L65-L279 HydrophobicContact CD2-CD1 3.9Å; P274-L279 HydrophobicContact CB-CD1 3.84Å; N275-L279 PolarHBondContact O-N 2.83Å; Y276-L279 PolarHBondContact O-N 3.5Å; L279-E282 PolarHBondContact O-N 2.91Å; L279-V283 WeakPolarHBondContact O-CG2 3.44Å; L279-V283 PolarHBondContact O-N 3.09Å
280E88.1Confident88.8Confident71 Ų7186.4 Ų86.433%0.33240%0.401SS..Hα-helixtrans-63.8-43.2177.5-172174.6-109.600111.5R137 Y276 E282 E284R137-E280 IonicContact NH2-OE1 2.7Å; Y276-E280 HydrophobicContact CD1-CB 4.43Å; Y276-E280 HydrophobicContact CE1-CB 3.88Å; Y276-E280 VanDerWaalsContact CE1-CD 3.43Å; Y276-E280 HydrophobicContact CE1-CG 4.21Å; Y276-E280 WeakPolarHBondContact CE1-OE1 3.15Å; Y276-E280 WeakPolarHBondContact O-CB 3.47Å; Y276-E280 PolarHBondContact O-N 3.35Å; Y276-E280 PolarHBondContact OH-OE1 3.44Å; E280-E282 PolarHBondContact O-N 3.37Å; E280-E284 WeakPolarHBondContact O-CB 3.34Å; E280-E284 PolarHBondContact O-N 2.96Å
281K90.2Very high88.8Confident127 Ų12783.2 Ų83.255%0.55239%0.386SS*.Hα-helixtrans-62.5-40.9175-73.3164.1-165.6160.50112.1E277 Q278 E284 R285E277-K281 WeakPolarHBondContact O-CB 3.47Å; E277-K281 VanDerWaalsContact O-CD 3.23Å; E277-K281 WeakPolarHBondContact O-CD 3.34Å; E277-K281 WeakPolarHBondContact O-CG 3.4Å; E277-K281 PolarHBondContact O-N 3.2Å; E277-K281 VanDerWaalsContact O-N 3.11Å; E277-K281 IonicContact OE2-NZ 3.87Å; E277-K281 PolarHBondContact OE2-NZ 3.19Å; Q278-K281 PolarHBondContact O-N 3.19Å; K281-E284 PolarHBondContact O-N 3.13Å; K281-R285 WeakPolarHBondContact O-CB 3.37Å; K281-R285 PolarHBondContact O-N 3.16Å
282E90.6Very high88.9Confident41 Ų4184.3 Ų84.319%0.19240%0.395CS..Hα-helixtrans-71.2-41-179.3-178.649.3-144.600112.8T58 Q278 L279 E280 E284 R285 R286T58-E282 HydrophobicContact CG2-CG 4.25Å; Q278-E282 WeakPolarHBondContact O-CB 3.45Å; Q278-E282 PolarHBondContact O-N 3.41Å; L279-E282 PolarHBondContact O-N 2.91Å; E280-E282 PolarHBondContact O-N 3.37Å; E282-E284 VanDerWaalsContact C-N 3.35Å; E282-R285 PolarHBondContact O-N 2.91Å; E282-R285 IonicContact OE1-CZ 3.41Å; E282-R285 IonicContact OE1-NE 3Å; E282-R285 PolarHBondContact OE1-NE 3.13Å; E282-R285 IonicContact OE1-NH2 2.58Å; E282-R285 PolarHBondContact OE1-NH2 3.35Å; E282-R285 IonicContact OE2-CZ 2.77Å; E282-R285 IonicContact OE2-NE 3.45Å; E282-R285 PolarHBondContact OE2-NE 3.27Å; E282-R285 IonicContact OE2-NH2 2.7Å; E282-R285 PolarHBondContact OE2-NH2 3.38Å; E282-R286 WeakPolarHBondContact O-CB 3.23Å; E282-R286 WeakPolarHBondContact O-CG 3.42Å; E282-R286 PolarHBondContact O-N 2.88Å; E282-R286 VanDerWaalsContact OE1-CG 3.3Å; E282-R286 WeakPolarHBondContact OE1-CG 3.19Å; E282-R286 IonicContact OE1-CZ 2.74Å; E282-R286 IonicContact OE1-NE 3.22Å; E282-R286 IonicContact OE1-NH1 3.41Å; E282-R286 PolarHBondContact OE1-NH1 3.07Å
283V91.4Very high89Confident17 Ų1777.3 Ų77.310%0.10337%0.373CS..Hα-helixtrans-61.8-43.1172171.10000111L54 L62 L279 R286 K287L54-V283 HydrophobicContact CD1-CG2 4.44Å; L62-V283 HydrophobicContact CD1-CG2 3.49Å; L62-V283 VanDerWaalsContact CD1-CG2 3.49Å; L62-V283 HydrophobicContact CD2-CG2 4.24Å; L62-V283 HydrophobicContact CG-CG2 4.49Å; L279-V283 WeakPolarHBondContact O-CG2 3.44Å; L279-V283 PolarHBondContact O-N 3.09Å; V283-R286 PolarHBondContact O-N 2.95Å; V283-K287 VanDerWaalsContact O-CB 3.22Å; V283-K287 WeakPolarHBondContact O-CB 3.43Å; V283-K287 PolarHBondContact O-N 3.05Å
284E91.5Very high89.4Confident85 Ų8574.1 Ų74.140%0.39736%0.359SS..Hα-helixtrans-68.1-40178.9-167.257.4-136.300111.9E280 K281 E282 R286 K287 V288E280-E284 WeakPolarHBondContact O-CB 3.34Å; E280-E284 PolarHBondContact O-N 2.96Å; K281-E284 PolarHBondContact O-N 3.13Å; E282-E284 VanDerWaalsContact C-N 3.35Å; E284-R286 PolarHBondContact O-N 2.96Å; E284-K287 CarbonylContact O-C 3.48Å; E284-K287 WeakPolarHBondContact O-CB 3.25Å; E284-K287 PolarHBondContact O-N 3.3Å; E284-K287 VanDerWaalsContact O-N 3.14Å; E284-K287 IonicContact OE1-NZ 2.72Å; E284-K287 PolarHBondContact OE1-NZ 3.07Å; E284-K287 IonicContact OE2-NZ 3.11Å; E284-K287 PolarHBondContact OE2-NZ 2.62Å; E284-V288 WeakPolarHBondContact O-CG2 3.37Å; E284-V288 PolarHBondContact O-N 3.41Å
285R92.1Very high89.6Confident138 Ų13876 Ų7652%0.52137%0.367SS..Hα-helixtrans-57.2-48.3173-172.6-1747491.6-2.7111.7K281 E282 K287 V288 F289K281-R285 WeakPolarHBondContact O-CB 3.37Å; K281-R285 PolarHBondContact O-N 3.16Å; E282-R285 PolarHBondContact O-N 2.91Å; E282-R285 IonicContact OE1-CZ 3.41Å; E282-R285 IonicContact OE1-NE 3Å; E282-R285 PolarHBondContact OE1-NE 3.13Å; E282-R285 IonicContact OE1-NH2 2.58Å; E282-R285 PolarHBondContact OE1-NH2 3.35Å; E282-R285 IonicContact OE2-CZ 2.77Å; E282-R285 IonicContact OE2-NE 3.45Å; E282-R285 PolarHBondContact OE2-NE 3.27Å; E282-R285 IonicContact OE2-NH2 2.7Å; E282-R285 PolarHBondContact OE2-NH2 3.38Å; R285-K287 VanDerWaalsContact C-N 3.31Å; R285-K287 PolarHBondContact O-N 2.96Å; R285-V288 PolarHBondContact O-N 2.86Å; R285-F289 PolarHBondContact O-N 3.14Å; R285-F289 VanDerWaalsContact O-N 3.07Å
286R92Very high89.8Confident52 Ų5280.2 Ų80.220%0.19638%0.382CS..Hα-helixtrans-63.7-35.7176.1-72.7-88.4164.666.7-25.4111.7G53 L54 V101 E282 V283 E284 L290G53-R286 PolarHBondContact O-NE 2.97Å; G53-R286 VanDerWaalsContact O-NE 3.16Å; G53-R286 PolarHBondContact O-NH1 3.08Å; G53-R286 PolarHBondContact O-NH2 3.32Å; L54-R286 HydrophobicContact CD1-CG 4.19Å; V101-R286 HydrophobicContact CG1-CB 3.98Å; V101-R286 HydrophobicContact CG2-CB 4Å; E282-R286 WeakPolarHBondContact O-CB 3.23Å; E282-R286 WeakPolarHBondContact O-CG 3.42Å; E282-R286 PolarHBondContact O-N 2.88Å; E282-R286 VanDerWaalsContact OE1-CG 3.3Å; E282-R286 WeakPolarHBondContact OE1-CG 3.19Å; E282-R286 IonicContact OE1-CZ 2.74Å; E282-R286 IonicContact OE1-NE 3.22Å; E282-R286 IonicContact OE1-NH1 3.41Å; E282-R286 PolarHBondContact OE1-NH1 3.07Å; V283-R286 PolarHBondContact O-N 2.95Å; E284-R286 PolarHBondContact O-N 2.96Å; R286-L290 WeakPolarHBondContact O-CB 3.4Å; R286-L290 PolarHBondContact O-N 3.42Å
287K92.4Very high89.8Confident90 Ų9083.3 Ų83.339%0.39141%0.413SS..Hα-helixtrans-70.3-37.2177.5169.9167.4157.5-840113.1V101 V283 E284 R285 A291V101-K287 HydrophobicContact CG1-CB 3.92Å; V283-K287 VanDerWaalsContact O-CB 3.22Å; V283-K287 WeakPolarHBondContact O-CB 3.43Å; V283-K287 PolarHBondContact O-N 3.05Å; E284-K287 CarbonylContact O-C 3.48Å; E284-K287 WeakPolarHBondContact O-CB 3.25Å; E284-K287 PolarHBondContact O-N 3.3Å; E284-K287 VanDerWaalsContact O-N 3.14Å; E284-K287 IonicContact OE1-NZ 2.72Å; E284-K287 PolarHBondContact OE1-NZ 3.07Å; E284-K287 IonicContact OE2-NZ 3.11Å; E284-K287 PolarHBondContact OE2-NZ 2.62Å; R285-K287 VanDerWaalsContact C-N 3.31Å; R285-K287 PolarHBondContact O-N 2.96Å; K287-A291 WeakPolarHBondContact O-CB 3.19Å; K287-A291 PolarHBondContact O-N 3.24Å; K287-A291 VanDerWaalsContact O-N 3.07Å
288V92.3Very high89.8Confident82 Ų8285.8 Ų85.850%0.49742%0.422SS..Hα-helixtrans-65.3-51.4171.2171.40000110.6E284 R285 L290 A291 E292E284-V288 WeakPolarHBondContact O-CG2 3.37Å; E284-V288 PolarHBondContact O-N 3.41Å; R285-V288 PolarHBondContact O-N 2.86Å; V288-L290 VanDerWaalsContact C-N 3.29Å; V288-L290 PolarHBondContact O-N 3.46Å; V288-A291 WeakPolarHBondContact O-CA 3.45Å; V288-A291 WeakPolarHBondContact O-CB 3.46Å; V288-A291 PolarHBondContact O-N 2.71Å; V288-E292 PolarHBondContact O-N 3.41Å
289F91.4Very high89.2Confident139 Ų13981.3 Ų81.361%0.6141%0.411SS*.Hα-helixtrans-55.7-43.6177178-99.6000112.4R285 A291 E292 A293R285-F289 PolarHBondContact O-N 3.14Å; R285-F289 VanDerWaalsContact O-N 3.07Å; F289-A291 VanDerWaalsContact C-N 3.28Å; F289-A291 PolarHBondContact O-N 3.46Å; F289-E292 PolarHBondContact O-N 3.01Å; F289-A293 WeakPolarHBondContact O-CB 3.3Å; F289-A293 PolarHBondContact O-N 2.89Å
290L90.4Very high88.2Confident27 Ų2783.4 Ų83.414%0.14142%0.422CS..Hα-helixtrans-70.2-20.6177.3-176.9145.8000113.5D52 V101 R286 V288 K294D52-L290 HydrophobicContact CB-CD1 3.63Å; D52-L290 WeakPolarHBondContact OD1-CD1 3.45Å; V101-L290 HydrophobicContact CG1-CB 4.37Å; V101-L290 HydrophobicContact CG1-CD1 4.13Å; R286-L290 WeakPolarHBondContact O-CB 3.4Å; R286-L290 PolarHBondContact O-N 3.42Å; V288-L290 VanDerWaalsContact C-N 3.29Å; V288-L290 PolarHBondContact O-N 3.46Å; L290-K294 HydrophobicContact CD2-CD 4.34Å; L290-K294 VanDerWaalsContact O-CD 3.27Å; L290-K294 WeakPolarHBondContact O-CD 3.34Å; L290-K294 VanDerWaalsContact O-CG 3.25Å; L290-K294 WeakPolarHBondContact O-CG 3.43Å
291A90.1Very high86.7Confident49 Ų4983.7 Ų83.741%0.40543%0.426SS..Hα-helixtrans-81.5-43.9170.200000111.6K287 V288 F289 K294 L295K287-A291 WeakPolarHBondContact O-CB 3.19Å; K287-A291 PolarHBondContact O-N 3.24Å; K287-A291 VanDerWaalsContact O-N 3.07Å; V288-A291 WeakPolarHBondContact O-CA 3.45Å; V288-A291 WeakPolarHBondContact O-CB 3.46Å; V288-A291 PolarHBondContact O-N 2.71Å; F289-A291 VanDerWaalsContact C-N 3.28Å; F289-A291 PolarHBondContact O-N 3.46Å; A291-K294 WeakPolarHBondContact O-CB 3.35Å; A291-K294 PolarHBondContact O-N 2.77Å; A291-K294 VanDerWaalsContact O-N 3.13Å; A291-L295 PolarHBondContact O-N 3.11Å
292E90.9Very high85.2Confident101 Ų10182.2 Ų82.247%0.47243%0.429SS..Hα-helixtrans-59.1-48.9175.6-170.4-164148.700111.4V288 F289 K294 L295 K296V288-E292 PolarHBondContact O-N 3.41Å; F289-E292 PolarHBondContact O-N 3.01Å; E292-K294 PolarHBondContact O-N 3.48Å; E292-K294 VanDerWaalsContact O-N 3.16Å; E292-L295 PolarHBondContact O-N 3Å; E292-K296 PolarHBondContact O-N 3.08Å
293A88.6Confident83.7Confident48 Ų4887.1 Ų87.140%0.39746%0.457SS..Hα-helixtrans-56.4-33.5175.700000112.5F289 A297F289-A293 WeakPolarHBondContact O-CB 3.3Å; F289-A293 PolarHBondContact O-N 2.89Å; A293-A297 WeakPolarHBondContact O-CB 3.37Å; A293-A297 PolarHBondContact O-N 2.98Å
294K89Confident82Confident110 Ų11088.7 Ų88.748%0.47848%0.477SS..Hα-helixtrans-78-23.7175.4-74.1172.1-176.4173.40114.3L290 A291 E292 K298L290-K294 HydrophobicContact CD2-CD 4.34Å; L290-K294 VanDerWaalsContact O-CD 3.27Å; L290-K294 WeakPolarHBondContact O-CD 3.34Å; L290-K294 VanDerWaalsContact O-CG 3.25Å; L290-K294 WeakPolarHBondContact O-CG 3.43Å; A291-K294 WeakPolarHBondContact O-CB 3.35Å; A291-K294 PolarHBondContact O-N 2.77Å; A291-K294 VanDerWaalsContact O-N 3.13Å; E292-K294 PolarHBondContact O-N 3.48Å; E292-K294 VanDerWaalsContact O-N 3.16Å; K294-K298 WeakPolarHBondContact O-CD 3.39Å; K294-K298 VanDerWaalsContact O-CG 3.23Å; K294-K298 WeakPolarHBondContact O-CG 3.13Å
295L88.6Confident80.5Confident66 Ų6688.6 Ų88.635%0.34648%0.482SS..Hα-helixtrans-76.9-47.1170.8-69.3172.7000109.6A291 E292 A297 K298 G299 L300A291-L295 PolarHBondContact O-N 3.11Å; E292-L295 PolarHBondContact O-N 3Å; L295-A297 PolarHBondContact O-N 3.34Å; L295-K298 CarbonylContact O-C 3.18Å; L295-K298 WeakPolarHBondContact O-CA 3.34Å; L295-K298 WeakPolarHBondContact O-CB 3.23Å; L295-K298 PolarHBondContact O-N 3.49Å; L295-G299 PolarHBondContact O-N 3.05Å; L295-L300 CarbonylContact C-O 3.52Å; L295-L300 HydrophobicContact CB-CB 4.33Å; L295-L300 HydrophobicContact CD2-CB 4.33Å; L295-L300 HydrophobicContact CD2-CD1 4.34Å; L295-L300 PolarHBondContact O-N 3.15Å
296K88.6Confident78.6Confident164 Ų16486.6 Ų86.671%0.71349%0.486SS*.Hα-helixtrans-57-45.7175-170.5170.4-176.8172.10112.2E292 K298 G299 L300E292-K296 PolarHBondContact O-N 3.08Å; K296-K298 PolarHBondContact O-N 3Å; K296-K298 VanDerWaalsContact O-N 3.15Å; K296-G299 PolarHBondContact O-N 3.28Å; K296-L300 PolarHBondContact N-O 3.39Å
297A85.1Confident76.7Confident90 Ų9086 Ų8674%0.74449%0.493SS*.THydrogen-bonded Turntrans-66.8-8.8174.600000114.7A293 L295A293-A297 WeakPolarHBondContact O-CB 3.37Å; A293-A297 PolarHBondContact O-N 2.98Å; L295-A297 PolarHBondContact O-N 3.34Å
298K86.3Confident74.7Confident160 Ų16090.2 Ų90.270%0.69652%0.519SS*.THydrogen-bonded Turntrans-1055.7172.7-72177.2179.3-171.10113.3K294 L295 K296 L300K294-K298 WeakPolarHBondContact O-CD 3.39Å; K294-K298 VanDerWaalsContact O-CG 3.23Å; K294-K298 WeakPolarHBondContact O-CG 3.13Å; L295-K298 CarbonylContact O-C 3.18Å; L295-K298 WeakPolarHBondContact O-CA 3.34Å; L295-K298 WeakPolarHBondContact O-CB 3.23Å; L295-K298 PolarHBondContact O-N 3.49Å; K296-K298 PolarHBondContact O-N 3Å; K296-K298 VanDerWaalsContact O-N 3.15Å; K298-L300 VanDerWaalsContact C-N 3.31Å; K298-L300 HydrophobicContact CB-CD1 4.3Å; K298-L300 PolarHBondContact O-N 2.9Å
299G75.2Confident72.7Confident37 Ų3791.2 Ų91.238%0.38153%0.529SS..THydrogen-bonded Turntrans67.928.8-174.900000113.6L295 K296 A307L295-G299 PolarHBondContact O-N 3.05Å; K296-G299 PolarHBondContact O-N 3.28Å; G299-A307 WeakPolarHBondContact O-CB 3.42Å; G299-A307 PolarHBondContact O-N 3.09Å
300L67.1Low71Confident58 Ų5888.6 Ų88.630%0.30454%0.542SS..BIsolated β-bridgetrans-113.6129.4175.7-72.8162.2000109.9L295 K296 K298 G304L295-L300 CarbonylContact C-O 3.52Å; L295-L300 HydrophobicContact CB-CB 4.33Å; L295-L300 HydrophobicContact CD2-CB 4.33Å; L295-L300 HydrophobicContact CD2-CD1 4.34Å; L295-L300 PolarHBondContact O-N 3.15Å; K296-L300 PolarHBondContact N-O 3.39Å; K298-L300 VanDerWaalsContact C-N 3.31Å; K298-L300 HydrophobicContact CB-CD1 4.3Å; K298-L300 PolarHBondContact O-N 2.9Å; L300-G304 WeakPolarHBondContact CD2-O 3.36Å
301N58Low68.7Low77 Ų7795 Ų9541%0.41257%0.574SS.*  trans-72.3160.4167.8-74.1-23.3000110.1D303 G304 T305N301-D303 PolarHBondContact O-N 3.49Å; N301-D303 VanDerWaalsContact O-N 3.13Å; N301-G304 PolarHBondContact O-N 2.88Å; N301-T305 PolarHBondContact N-O 3.44Å; N301-T305 VanDerWaalsContact N-O 3.09Å
302P58Low66.5Low95 Ų9596.3 Ų96.362%0.61759%0.593SS**THydrogen-bonded Turntrans-55-32.1-177.619-32.6000114.1G304P302-G304 PolarHBondContact O-N 3.27Å
303D58.4Low64.3Low145 Ų14594.6 Ų94.678%0.77560%0.603SS**THydrogen-bonded Turntrans-78.55.7177.6-52.8-61.5000114.4N301 T305N301-D303 PolarHBondContact O-N 3.49Å; N301-D303 VanDerWaalsContact O-N 3.13Å; D303-T305 PolarHBondContact O-N 2.83Å
304G56.8Low61.6Low50 Ų50102.3 Ų102.352%0.51563%0.628SS.*SBendtrans79.4-7.4179.500000115.2L300 N301 P302L300-G304 WeakPolarHBondContact CD2-O 3.36Å; N301-G304 PolarHBondContact O-N 2.88Å; P302-G304 PolarHBondContact O-N 3.27Å
305T59.9Low59.4Low83 Ų83102.8 Ų102.851%0.50964%0.644SS.*  trans-61.1132.2169.6-49.50000110.1N301 D303 A307N301-T305 PolarHBondContact N-O 3.44Å; N301-T305 VanDerWaalsContact N-O 3.09Å; D303-T305 PolarHBondContact O-N 2.83Å; T305-A307 PolarHBondContact O-N 3.25Å
306P52.3Low57.2Low95 Ų95105.7 Ų105.762%0.61767%0.667SS**BIsolated β-bridgetrans-62.5134.917426.7-34.3000110.3L308P306-L308 PolarHBondContact O-N 3.19Å
307A51Low54.5Low41 Ų41102.7 Ų102.734%0.33967%0.673SS.*  trans-70.7112.2176.300000109.4G299 T305 S309G299-A307 WeakPolarHBondContact O-CB 3.42Å; G299-A307 PolarHBondContact O-N 3.09Å; T305-A307 PolarHBondContact O-N 3.25Å; A307-S309 VanDerWaalsContact C-N 3.3Å; A307-S309 PolarHBondContact O-N 3.13Å
308L51.7Low52.1Low177 Ų177103.8 Ų103.893%0.92768%0.676SS**  trans-67.288.9168.5-97.8157.7000108.9P306 G310P306-L308 PolarHBondContact O-N 3.19Å; L308-G310 PolarHBondContact O-N 2.95Å; L308-G310 VanDerWaalsContact O-N 3.13Å
309S50.1Low49.7Very low103 Ų103106 Ų10672%0.7269%0.685SS**  trans-65.2110.817255.40000109.1A307 I311A307-S309 VanDerWaalsContact C-N 3.3Å; A307-S309 PolarHBondContact O-N 3.13Å; S309-I311 PolarHBondContact O-N 3.41Å
310G54.3Low47.9Very low84 Ų84109.9 Ų109.987%0.86670%0.704SS**  trans-63.1102.9-176.900000112.9L308L308-G310 PolarHBondContact O-N 2.95Å; L308-G310 VanDerWaalsContact O-N 3.13Å
311I43.5Very low46Very low161 Ų161112.8 Ų112.883%0.82673%0.727SS**  trans-110.6122.1154.1-59.9-178.7000105.2S309S309-I311 PolarHBondContact O-N 3.41Å
312G42.8Very low44.8Very low77 Ų77114 Ų11479%0.79474%0.742SS**  trans-73.8162.9-16800000114.2
313G45.8Very low44Very low66 Ų66114.6 Ų114.668%0.6875%0.746SS**  trans106.945.7155.400000118.4
314F32.2Very low42.6Very low210 Ų210114 Ų11492%0.92175%0.747SS**  trans-14393.1154.5-87.1-68.4000112.3
315S42.8Very low41.3Very low119 Ų119118.1 Ų118.183%0.83276%0.762SS**  trans-92116.8167.6-60.70000109.8A317S315-A317 PolarHBondContact O-N 3Å
316P40.7Very low39.9Very low127 Ų127123.3 Ų123.383%0.82578%0.777SS**  trans-76.8115.9171.530.3-31.5000109.8
317A32.3Very low38.9Very low101 Ų101124.7 Ų124.784%0.83578%0.784SS**  trans-89.2125.6-17900000112.1S315S315-A317 PolarHBondContact O-N 3Å
318S35.3Very low37.8Very low114 Ų114130.9 Ų130.980%0.79781%0.806SS**  trans-166.597.9162.759.40000113.7
319K35Very low36.6Very low207 Ų207129.5 Ų129.590%0.980%0.795SS**  trans-145.5145.6146.2-76.9-160.2176.6-176.50108.8
320P37.1Very low35.6Very low118 Ų118132.9 Ų132.977%0.76680%0.796SS**  trans-92.9167.1-171.637.4-36.7000114.1
321C27.1Very low34.7Very low119 Ų119134.1 Ų134.180%0.80479%0.792SS**  trans28.5147.3153.7-58.50000121.3
322S33.2Very low34.6Very low101 Ų101132.2 Ų132.271%0.70679%0.79SS**  cis175.9-175.3-7.5-85.90000106.1
323P41.6Very low33.9Very low108 Ų108135.8 Ų135.870%0.70179%0.791SS**  -134177.8-63.540.8-24.2000114.6
324V28.6Very low34.4Very low132 Ų132137 Ų13780%0.879%0.787SS**  trans73143.9166.5-161.80000113.4
325V31.1Very low34.4Very low137 Ų137135.1 Ų135.183%0.8378%0.78SS**  cis-133.516840.8-1740000113.6
326K29.6Very low33.7Very low193 Ų193134.4 Ų134.484%0.83977%0.771SS**  trans-80.4-166179.8-56176.9177.2177.40113.7
327V30.3Very low33.3Very low124 Ų124134.5 Ų134.575%0.75277%0.77SS**  trans99.9117.8177178.50000111.1
328E28.1Very low33.3Very low171 Ų171139 Ų13980%0.79977%0.77SS**  cis-154.3-138.2-2.7-153144.1-91.500114.2
329E27.6Very low33.9Very low148 Ų148139 Ų13969%0.69277%0.768SS**  trans-81.4177.3-178.2-63.9-168.4142.400113.2
330K29.1Very low33.7Very low174 Ų174134.3 Ų134.376%0.75776%0.756SS**  cis-161.9167.529.8-146.4165.5-168.3100.40112.8
331S35.2Very low33.5Very low110 Ų110137.7 Ų137.777%0.76976%0.759SS**  trans-150.7157.2170.3-69.40000109.5
332P40.3Very low33.6Very low121 Ų121140.7 Ų140.779%0.78676%0.758SS**  -151.3138.4103.435.8-17.4000117.3
333N29.8Very low33.5Very low152 Ų152142.7 Ų142.781%0.81376%0.756SS**  35.5161.2104.9-104.714.3000121.4
334P55.6Low33.7Very low92 Ų92143.4 Ų143.460%0.59776%0.761SS**  cis-143.1-154.8-40.631.4-6.9000113.8
335Q31.3Very low34Very low169 Ų169143.5 Ų143.579%0.7976%0.757SS**  trans88.6148.3157.2-52.7-159-1.700118.8
336T29.5Very low34Very low104 Ų104141.7 Ų141.764%0.63875%0.751SS**  cis-162.4165.9-11.2210000113.5
337T31.5Very low34.3Very low129 Ų129143.3 Ų143.379%0.79175%0.752SS**  trans66.9130.4145.545.50000124.4
338K32.1Very low34.5Very low195 Ų195142.5 Ų142.585%0.84875%0.747SS**  trans-95.5-168.4145.1-57.8-178.5175179.20108
339P48.7Very low34.8Very low114 Ų114142.7 Ų142.774%0.7475%0.748SS**  cis-148.9-1638.828.41.4000117.4
340V30.8Very low34.9Very low110 Ų110141 Ų14167%0.66775%0.748SS**  trans97.8112.6149.5-174.80000121.4
341K31.9Very low35Very low189 Ų189138.6 Ų138.682%0.82274%0.743SS**  trans47.6158.7139.8-59.6173.9-170.51690120.5
342K30.3Very low35Very low181 Ų181142.3 Ų142.379%0.78775%0.745SS**  cis-162156.41.5-131.5-174.3175.5-165.60110.2
343E31.8Very low34.5Very low143 Ų143142.6 Ų142.667%0.66875%0.75SS**  trans26.7141.5141.1-70.5-52.5131.300122.6D345E343-D345 PolarHBondContact OE2-N 2.9Å
344P45Very low35.6Very low123 Ų123140.9 Ų140.980%0.79975%0.747SS**  -147.6159.361.940.3-21000121.5
345D34Very low34.7Very low135 Ų135145 Ų14572%0.72276%0.758SS**  trans-33.6149.6161.9-116.9-44.2000117.8E343E343-D345 PolarHBondContact OE2-N 2.9Å
346S31.3Very low34.9Very low99 Ų99143.4 Ų143.469%0.69276%0.755SS**  177.7147.170.642.70000117.1
347R36.2Very low35.1Very low227 Ų227141.3 Ų141.386%0.85775%0.754SS**  trans65.9146.1147-87.5-168.7170.2166.7-2.5120.7
348T35.5Very low35.2Very low107 Ų107142.4 Ų142.466%0.65675%0.754SS**  cis-155.2160.96.9-21.10000114.2
349Q33.8Very low35.4Very low174 Ų174142.4 Ų142.481%0.81375%0.749SS**  trans73145.5158.3-61.7-162.43200118.7
350V30.1Very low34.6Very low114 Ų114145.2 Ų145.269%0.69175%0.749SS**  cis-147.4162.6-2.7108.90000113.3
351N30.9Very low34.7Very low123 Ų123146.8 Ų146.866%0.65875%0.75SS**  trans-21.8139.3170.9-66.2-39.6000118.3
352K33.8Very low35Very low188 Ų188143.2 Ų143.282%0.81774%0.743SS**  cis108.2119.135.4-90.6-176.1-179.8174.70111.9
353S30.4Very low35.3Very low127 Ų127142.8 Ų142.889%0.88874%0.741SS**  trans-152.2125.3159-71.50000110.6
354P53.5Low35.2Very low116 Ų116143.8 Ų143.875%0.75375%0.75SS**  trans-136.5144.5177.738.5-22.9000117.5
355H37.3Very low34.5Very low179 Ų179141.6 Ų141.683%0.82975%0.749SS**  trans63.1166.7151.6-82.3-25000119.8
356N34.8Very low34.5Very low135 Ų135146.8 Ų146.872%0.72276%0.759SS**  cis-137.2158.24.3-140-15.2000109.7
357G34Very low34.6Very low60 Ų60149.2 Ų149.262%0.61977%0.77SS**  121.1150.363.400000107.6
358L32.8Very low34.5Very low151 Ų151143.5 Ų143.579%0.79176%0.764SS**  cis-14914215.9-78.7150.5000108.5
359R35.7Very low34.4Very low195 Ų195150.1 Ų150.174%0.73678%0.777SS**  52.1141.392.5-74.8-174.2173.2-905.4115.4E361R359-E361 IonicContact NH1-OE1 2.7Å
360K33.6Very low34.4Very low173 Ų173147.6 Ų147.675%0.75278%0.779SS**  cis-138.9150.520.6-96.8-175.4173.6173.70110.4
361E32.8Very low34.5Very low144 Ų144146 Ų14667%0.67379%0.785SS**  64.6138.775.2-88.9-174.7-167.300115.6R359R359-E361 IonicContact NH1-OE1 2.7Å
362V36.6Very low34.8Very low113 Ų113145.6 Ų145.669%0.68579%0.792SS**  cis-167.11652.684.50000115
363K36.6Very low34.7Very low172 Ų172148.4 Ų148.475%0.74880%0.798SS**  trans74.4127155.5-80.2174.2-176.7174.50124.7
364I31Very low34.9Very low164 Ų164147.6 Ų147.684%0.84179%0.792SS**  trans73126.6133.6-62.1166.6000120.7
365G28.9Very low33.9Very low77 Ų77154 Ų15479%0.79480%0.801SS**  trans171.6106.3160.200000113
366R35Very low33.8Very low245 Ų245150.6 Ų150.693%0.92580%0.797SS**  trans-100.6126.9173.6-77.6-179175178.1-2.2110.6
367T33Very low33.7Very low150 Ų150155.6 Ų155.692%0.9281%0.806SS**  trans-159.7144.6141.3130000110.9
368S34.1Very low33.7Very low106 Ų106159.6 Ų159.674%0.74182%0.819SS**  trans-104.8153.117155.50000110.6
369R33.3Very low33.7Very low247 Ų247163.5 Ų163.593%0.93282%0.823SS**  trans-167.8136133.7-107.7158.7-177172.61.2112.4
370S35Very low33.6Very low121 Ų121159 Ų15985%0.84682%0.822SS**  trans-75.6152165.743.10000110.3
371G32.5Very low33.6Very low79 Ų79162.6 Ų162.681%0.81483%0.83SS**  trans-158.645.6-170.500000114.2R373G371-R373 PolarHBondContact O-N 3.13Å
372S36.3Very low33.6Very low115 Ų115161.7 Ų161.780%0.80484%0.84SS**  trans-72.9115175.3440000111.4
373R31.8Very low33.4Very low248 Ų248168 Ų16894%0.93685%0.852SS**  trans-154.7126.9157.9-114.7162.3-167.8179.43.6112.3G371G371-R373 PolarHBondContact O-N 3.13Å
374S35.2Very low33.4Very low110 Ų110165.7 Ų165.777%0.76986%0.857SS**  trans-77.9143.6170.347.30000110.8
375R30.8Very low33.9Very low251 Ų251163.5 Ų163.595%0.94785%0.853SS**  trans-162.4146.3142.5-109.2154.1-170.3177.62.1112.1
376S36.3Very low34.1Very low107 Ų107165.5 Ų165.575%0.74886%0.855SS**  trans-78.8145.3-174.440.90000113
377R33.3Very low34Very low240 Ų240162.2 Ų162.291%0.90685%0.85SS**  trans179129.6142.5-100.7156.1-174.3-174.51.9110.9
378T32.4Very low34Very low144 Ų144165.4 Ų165.488%0.88385%0.845SS**  -170.8119129.524.60000111.1
379R33.4Very low34Very low232 Ų232170.7 Ų170.788%0.87585%0.849SS**  -74151.4129-63171.5168.8167.5-5.5104.9
380S33.8Very low33.9Very low102 Ų102166.9 Ų166.971%0.71384%0.841SS**  cis-163.7158.146.6-64.10000113.3
381R33.2Very low33.8Very low247 Ų247171.8 Ų171.893%0.93284%0.843SS**  trans15.4126.7142.6-60.2172.9175168.5-3.2119
382S32.2Very low33.8Very low126 Ų126174.7 Ų174.788%0.88184%0.84SS**  -137139.8126.355.50000109.6
383R33.6Very low33.8Very low246 Ų246174.9 Ų174.993%0.92884%0.841SS**  trans-118.5145.7172.4-81.5178.2167.5175.9-5.6107.1
384S35.8Very low33.9Very low123 Ų123174 Ų17486%0.8684%0.838SS**  trans-161.9156.8133.4-100.30000111.2
385P41.8Very low33.8Very low117 Ų117180.6 Ų180.676%0.7685%0.846SS**  trans-115.8167.9-165.240.7-30000114.4
386S34.2Very low33.9Very low120 Ų120173.2 Ų173.284%0.83983%0.833SS**  trans-132.3138164.9580000111.3
387H32.7Very low33.8Very low175 Ų175179.6 Ų179.681%0.8184%0.84SS**  trans-79.9153.2-174.6-71.6-127.8000112.5
388R32.9Very low33.8Very low218 Ų218173.7 Ų173.782%0.82384%0.835SS**  -170.5126112-102.4167-173.6-150.71.8115.2
389R33.5Very low33.8Very low217 Ų217169.5 Ų169.582%0.81982%0.821SS**  trans43.4108.4142.7-62.7179.1178.6174-1.7119.2
390H30.6Very low33.7Very low166 Ų166165.1 Ų165.177%0.76982%0.82SS**  trans-68.6148.3147.7-82.7-82.3000111
391Y33.9Very low33.4Very low225 Ų225171.2 Ų171.288%0.88283%0.829SS**  trans-133114.6149.5-128.8-96.5000107.5
392N32.8Very low33.3Very low140 Ų140163 Ų16375%0.74981%0.81SS**  trans-11795.1-178.6-104.8-15.1000108.8R394N392-R394 PolarHBondContact O-N 3.4Å
393S35Very low33.3Very low119 Ų119161.5 Ų161.583%0.83280%0.799SS**  trans-77.7112.7169.3-171.80000109.5
394R33.9Very low33.1Very low229 Ų229160.8 Ų160.886%0.86480%0.796SS**  trans-85.7128.7166.8-71.5176.4171.5174.9-3.3108.9N392N392-R394 PolarHBondContact O-N 3.4Å
395R32.9Very low32.9Very low249 Ų249159.5 Ų159.594%0.9479%0.788SS**  trans-139.7136.1138.9-130.5174.8-171.7-172.42.3110.8
396S33.2Very low32.3Very low96 Ų96164.9 Ų164.967%0.67179%0.793SS**  trans-119.7174.5-170.8-44.50000109.9
397R34.8Very low32.1Very low241 Ų241164.2 Ų164.291%0.90979%0.788SS**  trans70.5155.1169.5-65.3176.1171174.8-4.9114.4
398S33.4Very low32Very low115 Ų115167.5 Ų167.580%0.80479%0.794SS**  cis178157.2-24.6520000106.1
399G31.9Very low32Very low56 Ų56161.6 Ų161.658%0.57779%0.785SS**  cis-162.8168.2000000109.2
400T30.7Very low31.8Very low140 Ų140160 Ų16086%0.85979%0.787SS**  67.6131.2103.655.40000117.9
401Y29.4Very low31.8Very low230 Ų230156.9 Ų156.990%0.90278%0.784SS**  trans77.4137.7165.5-133.2-106.6000115.8
402S29.5Very low31.7Very low76 Ų76158 Ų15853%0.53179%0.787SS.*  cis-162.6178.5-18.2-174.60000111.8
403S31.9Very low31.8Very low94 Ų94156.7 Ų156.766%0.65779%0.788SS**  trans-60.2146.8175.859.40000115.8
404R29.8Very low32.1Very low230 Ų230157.2 Ų157.287%0.86879%0.789SS**  -178133.5108.5-102.3177.7166.3127.4-6115.6
405S31.1Very low32.1Very low97 Ų97154.3 Ų154.368%0.67879%0.789SS**  38.1131128.3-52.50000124.4
406R30.2Very low33Very low230 Ų230148.2 Ų148.287%0.86878%0.782SS**  trans77.5103136.6-71174.2175.9167.9-2.6121.7
407S30Very low33Very low106 Ų106152.6 Ų152.674%0.74179%0.792SS**  48.9129.9108.2-47.70000123.3
408R31.1Very low32.9Very low244 Ų244152.4 Ų152.492%0.92179%0.791SS**  trans73.7149155.9-65.8176178.7175.8-2.3116.6
409S31.7Very low33Very low93 Ų93155.7 Ų155.765%0.6579%0.793SS**  cis-173.3155.2-11.245.20000113
410H29.1Very low33.7Very low184 Ų184158.5 Ų158.585%0.85280%0.801SS**  trans68.5161.4169.9-62.4-7.4000115.6
411S32Very low34.5Very low101 Ų101157.8 Ų157.871%0.70680%0.799SS**  cis-152.1154.220.7-51.40000115.3
412R30.9Very low34.9Very low249 Ų249152.6 Ų152.694%0.9480%0.796SS**  trans61.4145.9147.4-69.6177.6-178.9-142.2-0.8122.3
413S36.2Very low36.1Very low112 Ų112154.5 Ų154.578%0.78381%0.807SS**  trans-108.9164.4175.9-30.60000112.5
414P40.2Very low36.1Very low130 Ų130158 Ų15884%0.84482%0.817SS**  trans-112.5-174.2136.5-10.530.5000114.4
415L34.8Very low36.2Very low167 Ų167154.3 Ų154.387%0.87481%0.814SS**PPolyproline II helixtrans-92.2161.6-167.4-73146.3000114.9
416P50.2Low37.2Very low121 Ų121154.7 Ų154.779%0.78681%0.814SS**PPolyproline II helixtrans-90.7160.2178.936.6-35.8000114.8
417H33.9Very low37.2Very low189 Ų189151.2 Ų151.288%0.87581%0.807SS**PPolyproline II helixtrans-98.2161.5179.9-101.4-98.4000114.7
418R32.6Very low37.4Very low236 Ų236152.4 Ų152.489%0.89181%0.805SS**PPolyproline II helixtrans-86.9158.2170.7-83.1177.1161.4-177.8-5.7112.7
419H36.3Very low37.4Very low185 Ų185149.9 Ų149.986%0.85680%0.8SS**  trans-126161.1156.2-79.3-72.7000111.2
420P46.8Very low37.4Very low115 Ų115150.5 Ų150.575%0.74781%0.805SS**  trans-103.3169.1-161.639.7-35.9000115.6
421P47.3Very low37.6Very low125 Ų125151.2 Ų151.281%0.81281%0.806SS**  trans-94.6169.617438.4-35.4000114.1
422S37Very low37.5Very low120 Ų120151.1 Ų151.184%0.83981%0.805SS**  trans-117.9155.4171.8-59.60000111.7
423P54.7Low37.5Very low116 Ų116143.5 Ų143.575%0.75379%0.79SS**  trans-104.8157.7-174.938.7-34000114.8
424L31.5Very low37.5Very low168 Ų168146 Ų14688%0.8879%0.789SS**  -178.5169.9125.6-96.1165.7000113.4
425L32.3Very low37.1Very low152 Ų152148.3 Ų148.380%0.79679%0.788SS**  trans-93.6-175.1-162.5-74.1163.3000114.2
426P51.7Low36.9Very low105 Ų105143.5 Ų143.568%0.68278%0.779SS**  cis-141.2-173.7-36.333.4-12.7000116
427H31.6Very low36Very low157 Ų157145.6 Ų145.673%0.72778%0.784SS**  116.7148.5127.8-129.6-86.8000122
428L33.4Very low36.1Very low132 Ų132141.5 Ų141.569%0.69178%0.776SS**  trans73.2118.9172.9-55.3175.1000116.7
429K30.6Very low36.1Very low190 Ų190137.4 Ų137.483%0.82677%0.772SS**  70.5133.369.6-71.2-174.8-178.3177.80112.5
430S32.3Very low36.1Very low107 Ų107133.8 Ų133.875%0.74877%0.768SS**  cis-162.3169.117.254.30000115
431K32.4Very low35.4Very low198 Ų198137.2 Ų137.286%0.86177%0.771SS**  trans26.2146.7138.9-68.9-173.6178.9-1730121.1
432S31.3Very low34.7Very low100 Ų100138.8 Ų138.870%0.69977%0.771SS**  cis-173.3153.44.940.60000115.5
433S30.6Very low34.6Very low89 Ų89137.8 Ų137.862%0.62277%0.765SS**  trans53.9126141.763.40000125.1
434H35Very low33.6Very low164 Ų164135.8 Ų135.876%0.75977%0.765SS**  trans64.6146.7140.8-62.6-19.2000119.2
435H33Very low33.7Very low178 Ų178138.7 Ų138.782%0.82476%0.764SS**  cis-141176-5.4-74-67.1000107.7
436G30.1Very low33.9Very low67 Ų67140 Ų14069%0.69177%0.766SS**  cis154.5158.2-8.300000113.5
437N32.3Very low33Very low164 Ų164139.7 Ų139.788%0.87777%0.766SS**  trans78.7159167.1-15121.2000121.5
438S34.1Very low33Very low103 Ų103139.2 Ų139.272%0.7277%0.769SS**  trans76.1115.5167.648.10000121.5
439D32.6Very low33Very low150 Ų150138 Ų13880%0.80277%0.772SS**  trans-38.8149.5163.8-68.1-92.3000116.5
440S36.9Very low32.8Very low109 Ų109133.1 Ų133.176%0.76278%0.775SS**  -174.1143.575.936.50000116.2
441K33.2Very low32.7Very low188 Ų188132 Ų13282%0.81778%0.781SS**  trans12126.7144-69.3176.2-175.6174.90116.7
442L32.9Very low32.4Very low157 Ų157126.9 Ų126.982%0.82278%0.784SS**  -166.6174.156.6-116.4141.7000114.4
443S34.5Very low32.3Very low100 Ų100125.7 Ų125.770%0.69979%0.788SS**  trans-44.2154.617253.20000115.5
444G33.2Very low32.5Very low74 Ų74128 Ų12876%0.76380%0.803SS**  cis110.611620.700000110
445R33.5Very low32.2Very low229 Ų229123 Ų12386%0.86480%0.797SS**  trans-74.3153.8-175.9-62.1171.4174.4165.4-3.4111.2
446H35.9Very low32.3Very low180 Ų180123.1 Ų123.183%0.83380%0.798SS**  -173-176104.9-99.3-69.4000111.5
447S33.8Very low32.5Very low97 Ų97129.5 Ų129.568%0.67881%0.806SS**  trans-140.8154.3-150.354.80000114.8
448N31.1Very low32.5Very low147 Ų147133 Ų13379%0.78681%0.807SS**  trans89.7113.8148.9-11647.2000120.9
449S32.9Very low32.5Very low107 Ų107137.7 Ų137.775%0.74882%0.815SS**  67118.7126.665.30000122.4
450G27.8Very low32.3Very low87 Ų87141 Ų14190%0.89782%0.816SS**  trans121.2128.2156.300000114
451G28.7Very low32Very low84 Ų84141.4 Ų141.487%0.86681%0.814SS**  cis165.6150-1200000113.8
452G27.4Very low31.8Very low90 Ų90143.9 Ų143.993%0.92882%0.818SS**  trans103.9153.7163.100000117.9
453G28.6Very low31.6Very low76 Ų76141.1 Ų141.178%0.78481%0.812SS**  trans122.193156.800000119.2
454S33.8Very low31.3Very low136 Ų136147.8 Ų147.895%0.95182%0.822SS**  trans65.5154.6157.4-133.60000118.8
455G29.8Very low31.2Very low61 Ų61148.7 Ų148.763%0.62982%0.817SS**  cis-179.2142.6-10.100000115.8
456H35.1Very low30.9Very low180 Ų180148.6 Ų148.683%0.83382%0.816SS**  trans65.3140.1150.7-79.5-43.6000126.2
457K34.1Very low30.7Very low200 Ų200145.9 Ų145.987%0.8781%0.812SS**  trans94.2161.7147.7-76.5165.3-178.3175.40119.4
458R33.5Very low31.5Very low238 Ų238146.8 Ų146.890%0.89882%0.816SS**  trans-143.7169.2-148.7-78.3177.6162.6-180-5.1111.9
459K32.4Very low31.5Very low201 Ų201145.8 Ų145.887%0.87482%0.815SS**  trans83.7156.8167.5-60.8-178179.5179.80115.5
460R30.2Very low31.5Very low221 Ų221150 Ų15083%0.83482%0.82SS**  cis-169.7167.7-39.2-147.1-173.4179.5-178.3-0.4108.1
461T29.8Very low31.6Very low117 Ų117149.7 Ų149.772%0.71881%0.809SS**  trans55.484.8154.846.80000121.3
462R28.8Very low31.8Very low239 Ų239153 Ų15390%0.90281%0.807SS**  20.7122.1110.4-159.8-174.8-158.1162.55.2118.8
463S29.7Very low32.1Very low100 Ų100160.6 Ų160.670%0.69981%0.807SS**  149152.5124.5-64.80000117.2
464R28.1Very low32.2Very low240 Ų240164.1 Ų164.191%0.90681%0.808SS**  trans69.8149.2159.4-72.7172.4175.7162.7-2.7119.1
465S29.5Very low32.2Very low93 Ų93168.7 Ų168.765%0.6581%0.805SS**  cis176.2161.1-2750.10000111.3
466R28.4Very low32.3Very low226 Ų226175.1 Ų175.185%0.85382%0.818SS**  trans77.2115.5164.8-74.3177.3172.8174.6-4.3117.2
467T30.5Very low32.1Very low123 Ų123178.1 Ų178.176%0.75582%0.822SS**  83.4156.765.157.10000115
468P52.1Low31.9Very low116 Ų116178 Ų17875%0.75382%0.824SS**  cis-108.7-137.9-10.410.216000112
469V31Very low31.9Very low126 Ų126178.1 Ų178.176%0.76483%0.825SS**  cis-158.7170.96.7-145.70000112.2
470K32.3Very low31.8Very low197 Ų197176.7 Ų176.786%0.85783%0.827SS**  trans87.598.2154.6-71.8-158.2177.8-171.70123.4
471A31Very low32Very low80 Ų80176.2 Ų176.266%0.66183%0.825SS**  65.6102.8122.200000123.1
472D31.3Very low32Very low154 Ų154178 Ų17882%0.82483%0.825SS**  60.4116.9120.1-44.3-28.7000123.2
473R35.1Very low32.1Very low248 Ų248176.1 Ų176.194%0.93682%0.818SS**  -163.7146.6128.4-108.4172.9-170.9-175.83.2111.6
474D31Very low32.1Very low150 Ų150178 Ų17880%0.80282%0.821SS**  trans-82.7144.8-169-44.1-91.2000114.7
475R33Very low32.1Very low233 Ų233178.3 Ų178.388%0.87982%0.822SS**  -175.8168.1111.7-98.8170.6178.8123.21.2112.3
476E30.7Very low32.1Very low196 Ų196179 Ų17992%0.91683%0.826SS**  trans-78.9167.2-157.9-66.4162.212200114.8
477R31.3Very low32.2Very low243 Ų243177.3 Ų177.392%0.91783%0.826SS**  trans-116.5136.6-180-63.3173.8177.5145.1-0.9110.2
478E30.8Very low32.1Very low196 Ų196177.9 Ų177.992%0.91682%0.824SS**  trans-132.6133.4140.6-77.7-155.1147.200111
479R32.3Very low31.1Very low241 Ų241181.3 Ų181.391%0.90983%0.827SS**  trans-164.7115.2162.5-95-166.8-178.6174.81.8106
480D31.8Very low31.1Very low171 Ų171180.8 Ų180.891%0.91483%0.829SS**  trans-141163.4164.1-112.2-41.5000112.2
481R33Very low31Very low212 Ų212176.7 Ų176.780%0.883%0.825SS**  trans-128.9147-177.3-79.1-172.4171.599.6-6.4110.6
482E30.7Very low31.1Very low154 Ų154182.9 Ų182.972%0.7284%0.838SS**  trans50.3116.6153.8-63171.9-131.900116.6
483R30.8Very low31.1Very low200 Ų200185 Ų18576%0.75584%0.84SS**  17515271177.5171.1-69.4-162.8-3.8111.5
484D29.2Very low30.9Very low140 Ų140183 Ų18375%0.74984%0.84SS**  trans11117.3161.1-47.3-39000119.7
485R28.6Very low30.9Very low246 Ų246183.7 Ų183.793%0.92884%0.836SS**  trans-142.2148.8138-79.3-154.6176.2178.72113.1
486S29.6Very low30.7Very low107 Ų107179 Ų17975%0.74882%0.824SS**  trans-81.8143.5175.453.50000113.2
487F29.7Very low30.6Very low191 Ų191175.5 Ų175.584%0.83881%0.808SS**  trans-139.3161.1154.3-92.2-91.2000107.2
488D30Very low30.5Very low134 Ų134174.9 Ų174.972%0.71781%0.805SS**  cis-143.8166.712.6-156.6-16.1000111.3
489F29.7Very low30.3Very low188 Ų188169.3 Ų169.383%0.82580%0.8SS**  trans-13899.9169.6-151.7-74.8000110.6
490S31.4Very low30.2Very low115 Ų115164.2 Ų164.280%0.80480%0.802SS**  trans-69.5138.4-172.7-164.80000113.1
491S31Very low30.2Very low111 Ų111159.8 Ų159.878%0.77680%0.797SS**  trans-101.1133.1-174.1-66.90000113
492K32.4Very low30.2Very low211 Ų211156.9 Ų156.992%0.91779%0.792SS**  trans-138.8126.5157.5-94.8-177.9177176.50111.3
493K31.9Very low30.3Very low199 Ų199160.3 Ų160.387%0.86580%0.798SS**  trans-85.3151.8169.7-73.2176.3174.4173.30110.1
494H29.4Very low30.4Very low204 Ų204156.4 Ų156.494%0.94479%0.792SS**  -151.3-177.5129.6-107.1-77.8000109.1
495K30.9Very low30.6Very low166 Ų166159.7 Ų159.772%0.72279%0.794SS**  trans-139.1166.7-153.9-172.9-169.8169.2-150.20111.2
496H29.2Very low30.8Very low135 Ų135158.6 Ų158.663%0.62579%0.79SS**  trans84.6145.8174.1-64.1-89000115.6
497E28.6Very low30.8Very low122 Ų122161.8 Ų161.857%0.5779%0.793SS**  cis-167.6161.3-24.4-158.2179.5-79.400110.4
498R29.2Very low30.8Very low229 Ų229164.1 Ų164.186%0.86480%0.796SS**  trans70.7149.1164.9-48.6-172.7-177.1-161.9-4.9118.9
499G27.7Very low30.8Very low79 Ų79161.7 Ų161.781%0.81479%0.789SS**  trans14387.9167.500000115.4
500S30.3Very low30.9Very low135 Ų135164 Ų16494%0.94479%0.793SS**  trans-70.1147.1179.8-53.50000113.9
501G30.1Very low30.9Very low78 Ų78163.7 Ų163.780%0.80479%0.791SS**  trans-160.112.3-173.700000120.8
502H33.1Very low31Very low151 Ų151169.4 Ų169.470%0.69980%0.797SS**  trans25.9108.9153.8-160.820.7000120.5
503R33.6Very low31Very low226 Ų226166.8 Ų166.885%0.85379%0.788SS**  176.3153.2112.9-95.3176.4-177.7-173.10.5116.6
504D33.3Very low30.9Very low117 Ų117166.4 Ų166.463%0.62678%0.781SS**  trans-75.7157.4-168.4-83.3-101.2000119.2
505R32.3Very low31.1Very low209 Ų209162.6 Ų162.679%0.78977%0.768SS**  trans67.9152.3143-72.1166.2-177.6-165-2.8118
506R32.3Very low31.1Very low224 Ų224165.6 Ų165.685%0.84578%0.775SS**  cis-150.6152.33.3-142.1174.6-175.1177.40.3111.2
507E30.5Very low31.2Very low173 Ų173164.7 Ų164.781%0.80877%0.774SS**  trans-84.8145.2171.7-54.8176.6112.300113.6
508R30Very low31.5Very low241 Ų241168.6 Ų168.691%0.90978%0.784SS**  -178.1119.2125.7-102.8174.1166.1168.3-4.2108
509S30.3Very low31.6Very low82 Ų82162 Ų16257%0.57377%0.773SS**  cis84.8117.847.9-60.20000114.4
510R32.3Very low32Very low236 Ų236167 Ų16789%0.89178%0.775SS**  trans70.6152.9157.3-62.8173.8-176.3128.12.4116.7
511S30.2Very low32.1Very low110 Ų110170.8 Ų170.877%0.76977%0.774SS**  cis-164.7166.1-17.743.50000110.2
512Y34.3Very low32.3Very low230 Ų230172.2 Ų172.290%0.90277%0.772SS**  trans-92.9141.8179.5-53.1-93.4000113
513E31.4Very low32.3Very low156 Ų156174.9 Ų174.973%0.72978%0.781SS**  trans163.6159.3150.7-96.9-149.4140.400108.8
514R30.4Very low32.3Very low191 Ų191172.1 Ų172.172%0.72178%0.778SS**  cis-162.6162.7-29.6-141.3-164.6-178.4132.4-6.1109.5
515D33.2Very low32.4Very low124 Ų124175.7 Ų175.766%0.66379%0.79SS**  trans8.8130160.2-49.4-36.2000121.4
516R30.8Very low32.3Very low230 Ų230169.1 Ų169.187%0.86879%0.788SS**  177.3137.4113-101.1178.6-179.3167.81.4118.8
517D32.5Very low32.3Very low115 Ų115164.3 Ų164.362%0.61579%0.789SS**  trans70.9139.7134.9-87.1-51.5000126.9
518R33.3Very low32.4Very low204 Ų204161.9 Ų161.977%0.7779%0.791SS**  trans79.888137.6-71.3164.3-161.6-159-0.2124.7
519S32.3Very low32.5Very low92 Ų92154 Ų15464%0.64378%0.784SS**  48.8132.3103.971.50000124.4
520H36.4Very low32.8Very low184 Ų184159.5 Ų159.585%0.85280%0.8SS**  trans64.6118145.7-65.7-58.2000122.4
521K32.2Very low33Very low214 Ų214153.7 Ų153.793%0.9380%0.796SS**  -159.9170.4115.2-124168-175.5169.10112.9
522S33.3Very low33.2Very low107 Ų107151.5 Ų151.575%0.74879%0.791SS**  trans-130.9161.7-176.656.70000111.9
523K33.4Very low33.4Very low208 Ų208150.1 Ų150.190%0.90479%0.793SS**  trans-171.9175.4141.1-107.6174.2-178.2-1690113.4
524H34.3Very low33.7Very low167 Ų167147 Ų14777%0.77379%0.788SS**  trans-103.1-175-163.5-83.7-91.9000115.1
525H34.3Very low34.4Very low192 Ų192148.7 Ų148.789%0.88979%0.794SS**  trans100.6137.7164.6-51.9-74.5000115.9
526G30.8Very low34.9Very low72 Ų72151.8 Ų151.874%0.74281%0.805SS**  cis163.1136.3-16.100000117
527S31.9Very low35.6Very low123 Ų123152 Ų15286%0.8681%0.805SS**  trans81.1159.8158.7-151.50000120.8
528S33.8Very low36.3Very low122 Ų122162 Ų16285%0.85383%0.834SS**  trans64.9140.4178.671.80000118.1
529G31.1Very low36.4Very low75 Ų75159.9 Ų159.977%0.77384%0.838SS**  cis-165.7179.5-4.500000113.7
530H35.9Very low36.6Very low197 Ų197163.5 Ų163.591%0.91285%0.848SS**  trans-49.8163.9177.6-66.9-61.6000115.6
531S36.2Very low36.7Very low114 Ų114162.3 Ų162.380%0.79785%0.848SS**  cis-157.2175.3-1.341.90000107.2
532G34.6Very low36.9Very low65 Ų65159.3 Ų159.367%0.6784%0.843SS**  cis115.781.57.600000112.4
533H39.8Very low37.1Very low201 Ų201162.6 Ų162.693%0.93185%0.849SS**  trans-151.7164.1165.2-124.4-87.6000113.1
534S37Very low37.4Very low91 Ų91159.5 Ų159.564%0.63685%0.845SS**  trans-136.5150.5-160.8-168.70000114.9
535R45.6Very low37.6Very low226 Ų226159 Ų15985%0.85385%0.85SS**  trans25.8121.2155-65.4171.5174.2179.3-1.3119.6
536H43Very low37.9Very low189 Ų189156.5 Ų156.588%0.87585%0.847SS**  -154.9139.7127.3-98.949.7000105.3
537R45.8Very low38.4Very low233 Ų233163.5 Ų163.588%0.87986%0.856SS**  cis79.476.432.6-145.2-170.3-160.1-162.16.9114.9
538R46.6Very low39Very low326 Ų326167.2 Ų167.2100%1.2386%0.855SS**  -145.50126-108.5-177.7-176.7-157.6-0.1109.8

Retrieved 538 of 538 residues in 288.1 ms (Link to these results)