A0A077Z350_TRITR Loading...

KH 3 domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z350, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 251 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
1M45.4Very low44.7Very low249 Ų249149.4 Ų149.4100%1.22787%0.867SS**  091.80-70.1170.2112.200104.9
2S49.6Very low44.7Very low112 Ų112148.2 Ų148.278%0.78386%0.863SS**  trans-122.6111.1-164.939.10000108.1
3D42Very low44.1Very low160 Ų160141.9 Ų141.986%0.85685%0.849SS**  trans-72.4126.4165.9-69-50.3000108.5
4D59.7Low44Very low162 Ų162145.8 Ų145.887%0.86685%0.854SS**  trans-135.3119162.3-99.3-38.9000109.9
5Q42Very low43.3Very low194 Ų194148.3 Ų148.391%0.90785%0.854SS**  trans-71.4130.5-178.8-65.7174.7-0.600110.5
6A48.7Very low43Very low104 Ų104145.2 Ų145.286%0.8685%0.852SS**  trans-110.698.8164.700000109.5
7S41.5Very low43Very low108 Ų108143.5 Ų143.576%0.75584%0.843SS**PPolyproline II helixtrans-63.3127.8171.949.80000111.9
8A41.3Very low42.8Very low105 Ų105141.9 Ų141.987%0.86884%0.838SS**PPolyproline II helixtrans-75.2123.2171.800000110.8
9I46.2Very low42.6Very low152 Ų152146.9 Ų146.978%0.77984%0.843SS**PPolyproline II helixtrans-88.2132.5170.4-58.3173.2000107.9
10P35.1Very low42.3Very low109 Ų109142.8 Ų142.871%0.70883%0.834SS**PPolyproline II helixtrans-77.5132.8179.231.7-31000110.3V12P10-V12 PolarHBondContact O-N 3.18Å
11M40.6Very low42.4Very low188 Ų188141.6 Ų141.693%0.92683%0.828SS**  trans-69.6107.3171.6-67.7-79.3-73.100108.9
12V44.4Very low42.1Very low135 Ų135137.1 Ų137.182%0.81881%0.81SS**  trans-68.3129.9168.2175.90000108.1P10 E14P10-V12 PolarHBondContact O-N 3.18Å; V12-E14 PolarHBondContact O-N 3.09Å
13G36.4Very low41.7Very low67 Ų67142.1 Ų142.169%0.69181%0.813SS**  trans-60.4127.4-173.500000113.2Q15G13-Q15 PolarHBondContact O-N 3.09Å
14E42.7Very low41.6Very low196 Ų196142.5 Ų142.592%0.91681%0.809SS**  trans-70.6105171-156.9127.3124.500108.6V12 A16V12-E14 PolarHBondContact O-N 3.09Å; E14-A16 PolarHBondContact O-N 3.02Å
15Q34.4Very low41.1Very low183 Ų183139.7 Ų139.786%0.85580%0.802SS**  trans-65.7117.2167.9-78.1-178.6-41.800108.5G13 V17G13-Q15 PolarHBondContact O-N 3.09Å; Q15-V17 PolarHBondContact O-N 3.25Å; Q15-V17 VanDerWaalsContact O-N 3.16Å
16A38.9Very low41.1Very low99 Ų99137.1 Ų137.182%0.81880%0.795SS**  trans-61.3113.5171.400000109.5E14 P18E14-A16 PolarHBondContact O-N 3.02Å; A16-P18 WeakPolarHBondContact O-CD 3.41Å
17V42.1Very low40.9Very low116 Ų116137.6 Ų137.670%0.70379%0.789SS**  trans-75.1120.5172.1-161.10000107.5Q15 Y19Q15-V17 PolarHBondContact O-N 3.25Å; Q15-V17 VanDerWaalsContact O-N 3.16Å; V17-Y19 PolarHBondContact O-N 2.72Å; V17-Y19 VanDerWaalsContact O-N 3.15Å
18P39.9Very low41.2Very low116 Ų116137.6 Ų137.675%0.75378%0.784SS**  trans-73.8109.7177.129.3-29.1000108.3A16 G20A16-P18 WeakPolarHBondContact O-CD 3.41Å; P18-G20 PolarHBondContact O-N 3.41Å; P18-G20 VanDerWaalsContact O-N 3.08Å
19Y37.7Very low41.2Very low236 Ų236138.4 Ų138.493%0.92578%0.779SS**  trans-74.494.8165.2-92.5-92.3000107.9V17V17-Y19 PolarHBondContact O-N 2.72Å; V17-Y19 VanDerWaalsContact O-N 3.15Å
20G36.5Very low40.9Very low64 Ų64140.4 Ų140.466%0.6678%0.778SS**  trans-172.775.3179.400000109.7P18P18-G20 PolarHBondContact O-N 3.41Å; P18-G20 VanDerWaalsContact O-N 3.08Å
21T44.6Very low41.1Very low118 Ų118143.9 Ų143.972%0.72479%0.785SS**  trans-123.6107.2159.646.50000106.9Y23T21-Y23 PolarHBondContact O-N 3.03Å; T21-Y23 VanDerWaalsContact O-N 3.14Å
22D39.4Very low40.9Very low156 Ų156143.8 Ų143.883%0.83478%0.782SS**  trans-46.4115.8161.9-73.3-52.9000108.5Q24D22-Q24 PolarHBondContact O-N 2.87Å
23Y42.3Very low40.8Very low217 Ų217142.7 Ų142.785%0.85178%0.781SS**  trans-73.577.7165.9-90.5-93.6000107.6T21 S25T21-Y23 PolarHBondContact O-N 3.03Å; T21-Y23 VanDerWaalsContact O-N 3.14Å; Y23-S25 VanDerWaalsContact C-N 3.31Å; Y23-S25 PolarHBondContact O-N 3.09Å
24Q40Very low41.1Very low167 Ų167143.6 Ų143.678%0.7878%0.781SS**  trans-83.585.1162.5-155.692.4-21.400106.2D22 D26D22-Q24 PolarHBondContact O-N 2.87Å; Q24-D26 PolarHBondContact O-N 3.24Å
25S48Very low40.8Very low103 Ų103141 Ų14172%0.7278%0.779SS**PPolyproline II helixtrans-65.7120.2167.4530000108.1Y23Y23-S25 VanDerWaalsContact C-N 3.31Å; Y23-S25 PolarHBondContact O-N 3.09Å
26D41.5Very low41.2Very low141 Ų141138.6 Ų138.675%0.75478%0.776SS**PPolyproline II helixtrans-53.8135.9168.8-69.1-44.8000109.4Q24 V28Q24-D26 PolarHBondContact O-N 3.24Å; D26-V28 PolarHBondContact O-N 2.95Å; D26-V28 VanDerWaalsContact O-N 3.13Å
27P46.1Very low41Very low113 Ų113138.9 Ų138.973%0.73477%0.77SS**PPolyproline II helixtrans-63119.7177.725.2-31.9000109.4T29P27-T29 PolarHBondContact O-N 3.29Å
28V46.6Very low40.5Very low108 Ų108140.6 Ų140.666%0.65578%0.775SS**  trans-67.6103.5167.7-178.60000107.3D26 Y30D26-V28 PolarHBondContact O-N 2.95Å; D26-V28 VanDerWaalsContact O-N 3.13Å; V28-Y30 HydrophobicContact CB-CE2 4.14Å; V28-Y30 HydrophobicContact CG1-CD2 4.26Å; V28-Y30 HydrophobicContact CG1-CE2 3.87Å; V28-Y30 WeakPolarHBondContact O-CD2 3.43Å; V28-Y30 PolarHBondContact O-N 2.98Å
29T41.3Very low40.8Very low123 Ų123141.4 Ų141.476%0.75578%0.777SS**  trans-68.199.4174.1-59.90000109.1P27P27-T29 PolarHBondContact O-N 3.29Å
30Y39.8Very low40.6Very low193 Ų193138.7 Ų138.776%0.75777%0.773SS**  trans-75.7119.8165.3-71.4-85.5000108.8V28 Q32V28-Y30 HydrophobicContact CB-CE2 4.14Å; V28-Y30 HydrophobicContact CG1-CD2 4.26Å; V28-Y30 HydrophobicContact CG1-CE2 3.87Å; V28-Y30 WeakPolarHBondContact O-CD2 3.43Å; V28-Y30 PolarHBondContact O-N 2.98Å; Y30-Q32 VanDerWaalsContact C-N 3.35Å; Y30-Q32 PolarHBondContact O-N 3.07Å
31Q39.7Very low40.5Very low182 Ų182139 Ų13985%0.8578%0.776SS**  trans-6895.7168.3-78.3-174-22.200108.8S33Q31-S33 PolarHBondContact O-N 3.01Å; Q31-S33 VanDerWaalsContact O-N 3.09Å
32Q37.6Very low40.3Very low186 Ų186138.2 Ų138.287%0.86978%0.781SS**  trans-67.598.8166.3-84.6172.1-6.300109Y30 A34Y30-Q32 VanDerWaalsContact C-N 3.35Å; Y30-Q32 PolarHBondContact O-N 3.07Å; Q32-A34 PolarHBondContact O-N 3.33Å
33S42Very low40Very low113 Ų113139.2 Ų139.279%0.7979%0.787SS**  trans-81.398.6165-64.40000109.6Q31Q31-S33 PolarHBondContact O-N 3.01Å; Q31-S33 VanDerWaalsContact O-N 3.09Å
34A42.4Very low39.9Very low85 Ų85132.3 Ų132.370%0.70278%0.782SS**  trans37111150.400000119.5Q32Q32-A34 PolarHBondContact O-N 3.33Å
35V36.2Very low39.9Very low142 Ų142132.4 Ų132.486%0.86179%0.787SS**  trans-47.2133.7155.7178.60000111.2
36V42.4Very low39.3Very low132 Ų132136.1 Ų136.180%0.879%0.793SS**  trans-126.7130.1160.7-165.40000107.9
37P35.4Very low39.2Very low105 Ų105136.8 Ų136.868%0.68280%0.797SS**  trans-87.6163-156.934.8-35.1000114.5
38D32.1Very low38.9Very low152 Ų152138.9 Ų138.981%0.81380%0.797SS**  trans-40.4135175.6-143.3-9.5000114.7
39V45.3Very low38.6Very low133 Ų133144.3 Ų144.381%0.80681%0.805SS**  trans-131.6103.7168-178.50000110
40Q33.6Very low38.7Very low180 Ų180144.3 Ų144.384%0.84181%0.807SS**  trans-59.4140.6158.5-63.1169.3-19.200110.1
41G34.5Very low38.7Very low70 Ų70139.4 Ų139.472%0.72281%0.807SS**  trans142.6105.4152.800000116.9
42A40Very low39Very low101 Ų101139 Ų13984%0.83581%0.81SS**  47120.5123.700000120.4
43N33.7Very low38.8Very low177 Ų177134 Ų13495%0.94781%0.809SS**  trans-10.4120.1150.2-74.8-29.9000116.7
44G39.3Very low38.7Very low73 Ų73136 Ų13675%0.75381%0.81SS**  trans-165.2108.816400000110.6
45L40Very low38.2Very low168 Ų168137.7 Ų137.788%0.8882%0.818SS**  trans-58.1137.9171-78.777.6000110.8
46Q35.3Very low38.3Very low181 Ų181133.5 Ų133.585%0.84680%0.803SS**  trans-166.5127.7135.3-107.7157.759.900113.3
47D40.8Very low37.8Very low156 Ų156131 Ų13183%0.83480%0.804SS**  trans58144.1140.8-86.9-39.6000124.4
48Q39.2Very low38.1Very low157 Ų157132.4 Ų132.473%0.73481%0.811SS**  trans-90.3152.8-168.8-61.5172.43.700113.6
49R40.9Very low38.5Very low221 Ų221130.3 Ų130.383%0.83480%0.803SS**  trans101155.1147.6-59.4-168.9-154.3-1586117.8
50P41.9Very low38.4Very low123 Ų123128 Ų12880%0.79980%0.798SS**  cis-133.5179.6-36.134.2-15.6000113.3
51A40.7Very low39Very low90 Ų90127.6 Ų127.674%0.74479%0.794SS**  trans-50.1140.8-17400000116.8
52D45.1Very low39.9Very low174 Ų174133.4 Ų133.493%0.9380%0.802SS**  trans-148.4130.7141.3-89.9-35.5000109.4
53G33.7Very low40.7Very low81 Ų81136 Ų13684%0.83580%0.795SS**  trans-76139.2-177.100000112.7
54N39.5Very low42.5Very low154 Ų154131.8 Ų131.882%0.82477%0.773SS**  trans-150.6104145.9-16725.4000109.7G56N54-G56 PolarHBondContact O-N 3.23Å
55S33.6Very low44Very low122 Ų122130.6 Ų130.685%0.85375%0.753SS**  trans-68.697.4167.348.70000109.5
56G36.5Very low45.7Very low53 Ų53125.2 Ų125.255%0.54673%0.732SS.*  trans-124.996.7169.800000108.8N54 V58N54-G56 PolarHBondContact O-N 3.23Å; G56-V58 WeakPolarHBondContact O-CG2 3.46Å; G56-V58 PolarHBondContact O-N 3.3Å; G56-V58 VanDerWaalsContact O-N 3.09Å
57G32.3Very low47.7Very low81 Ų81119.5 Ų119.584%0.83571%0.712SS**  trans-57.9110.8-178.900000111.6
58V41.9Very low49.5Very low134 Ų134116.5 Ų116.581%0.81269%0.694SS**  trans-99.880167.7-134.30000106.8G56 A60G56-V58 WeakPolarHBondContact O-CG2 3.46Å; G56-V58 PolarHBondContact O-N 3.3Å; G56-V58 VanDerWaalsContact O-N 3.09Å; V58-A60 PolarHBondContact O-N 3.45Å; V58-A60 VanDerWaalsContact O-N 3.09Å
59T41.8Very low51.2Low108 Ų108111 Ų11166%0.66367%0.673SS**  trans-8263.9164.557.30000108.5F61T59-F61 VanDerWaalsContact C-N 3.29Å; T59-F61 HydrophobicContact CG2-CZ 4.48Å; T59-F61 PolarHBondContact O-N 2.84Å
60A41.8Very low52.9Low84 Ų84105.1 Ų105.169%0.69466%0.658SS**  trans-81.788.7159.900000105.6V58 Q62V58-A60 PolarHBondContact O-N 3.45Å; V58-A60 VanDerWaalsContact O-N 3.09Å; A60-Q62 PolarHBondContact O-N 2.83Å
61F47.4Very low54.8Low171 Ų171101.7 Ų101.775%0.7564%0.637SS**  trans-57.7112.9177.3-66.9-81.1000108.1T59 F63T59-F61 VanDerWaalsContact C-N 3.29Å; T59-F61 HydrophobicContact CG2-CZ 4.48Å; T59-F61 PolarHBondContact O-N 2.84Å; F61-F63 VanDerWaalsContact C-N 3.28Å; F61-F63 PolarHBondContact O-N 2.89Å
62Q51.9Low56.7Low192 Ų192100 Ų10090%0.89762%0.615SS**  trans-61.898.9164.9-164.3164.815.600106.1A60 D64A60-Q62 PolarHBondContact O-N 2.83Å; Q62-D64 PolarHBondContact O-N 3.19Å
63F57.6Low58.3Low155 Ų15596.9 Ų96.968%0.6860%0.595SS**  trans-76.593-173.9-162-88.6000108.2F61 S65 M68F61-F63 VanDerWaalsContact C-N 3.28Å; F61-F63 PolarHBondContact O-N 2.89Å; F63-S65 VanDerWaalsContact CD1-OG 3.24Å; F63-S65 WeakPolarHBondContact CD1-OG 3.28Å; F63-S65 VanDerWaalsContact CE1-OG 3.28Å; F63-S65 WeakPolarHBondContact CE1-OG 3.49Å; F63-S65 PolarHBondContact O-N 3.1Å; F63-M68 HydrophobicContact CZ-SD 4.43Å
64D71.1Confident60.7Low90 Ų9097.5 Ų97.548%0.48158%0.579SS.*  trans-88.885.1173.4-176.3-2.7000109.5Q62 A66 S67 M68Q62-D64 PolarHBondContact O-N 3.19Å; D64-A66 PolarHBondContact O-N 3.04Å; D64-A66 WeakPolarHBondContact OD1-CB 3.32Å; D64-A66 PolarHBondContact OD1-N 3.31Å; D64-A66 VanDerWaalsContact OD1-N 3.12Å; D64-S67 WeakPolarHBondContact CB-OG 3.49Å; D64-S67 PolarHBondContact O-N 3.37Å; D64-S67 VanDerWaalsContact O-N 3.13Å; D64-S67 PolarHBondContact O-OG 2.87Å; D64-S67 PolarHBondContact OD1-N 3.35Å; D64-S67 VanDerWaalsContact OD1-N 3.12Å; D64-S67 WeakPolarHBondContact OD2-CB 3.42Å; D64-M68 PolarHBondContact O-N 3.4Å
65S71.1Confident62.9Low48 Ų4894.5 Ų94.534%0.33656%0.563SS.*Hα-helixtrans-54.4-31.3176.9-53.50000112.7F63 M68 S69F63-S65 VanDerWaalsContact CD1-OG 3.24Å; F63-S65 WeakPolarHBondContact CD1-OG 3.28Å; F63-S65 VanDerWaalsContact CE1-OG 3.28Å; F63-S65 WeakPolarHBondContact CE1-OG 3.49Å; F63-S65 PolarHBondContact O-N 3.1Å; S65-M68 PolarHBondContact O-N 2.85Å; S65-S69 WeakPolarHBondContact O-CB 3.42Å; S65-S69 PolarHBondContact O-N 3.17Å; S65-S69 PolarHBondContact O-OG 3.22Å
66A74.9Confident65.3Low54 Ų5491.3 Ų91.345%0.44654%0.538SS..Hα-helixtrans-70.4-43.7179.300000110.9D64 M68 S69 L70D64-A66 PolarHBondContact O-N 3.04Å; D64-A66 WeakPolarHBondContact OD1-CB 3.32Å; D64-A66 PolarHBondContact OD1-N 3.31Å; D64-A66 VanDerWaalsContact OD1-N 3.12Å; A66-M68 VanDerWaalsContact C-N 3.29Å; A66-M68 PolarHBondContact O-N 3.34Å; A66-S69 WeakPolarHBondContact CA-OG 3.41Å; A66-S69 PolarHBondContact O-N 2.92Å; A66-S69 PolarHBondContact O-OG 2.87Å; A66-L70 WeakPolarHBondContact O-CB 3.25Å; A66-L70 WeakPolarHBondContact O-CD1 3.46Å; A66-L70 WeakPolarHBondContact O-CG 3.38Å; A66-L70 PolarHBondContact O-N 3.29Å
67S78.2Confident67.6Low62 Ų6291.3 Ų91.343%0.43453%0.533SS..Hα-helixtrans-61.2-38.3174.974.50000112.6D64 S71D64-S67 WeakPolarHBondContact CB-OG 3.49Å; D64-S67 PolarHBondContact O-N 3.37Å; D64-S67 VanDerWaalsContact O-N 3.13Å; D64-S67 PolarHBondContact O-OG 2.87Å; D64-S67 PolarHBondContact OD1-N 3.35Å; D64-S67 VanDerWaalsContact OD1-N 3.12Å; D64-S67 WeakPolarHBondContact OD2-CB 3.42Å; S67-S71 PolarHBondContact O-N 2.96Å; S67-S71 PolarHBondContact O-OG 2.94Å
68M78.6Confident70.5Confident92 Ų9291.6 Ų91.645%0.45352%0.515SS..Hα-helixtrans-73.7-39.6-179.7-165.9166.8-177.900112.1F63 D64 S65 A66 S71 I72F63-M68 HydrophobicContact CZ-SD 4.43Å; D64-M68 PolarHBondContact O-N 3.4Å; S65-M68 PolarHBondContact O-N 2.85Å; A66-M68 VanDerWaalsContact C-N 3.29Å; A66-M68 PolarHBondContact O-N 3.34Å; M68-S71 PolarHBondContact O-N 3.2Å; M68-S71 PolarHBondContact O-OG 3.38Å; M68-I72 HydrophobicContact CG-CD1 4.27Å; M68-I72 WeakPolarHBondContact O-CD1 3.32Å; M68-I72 VanDerWaalsContact O-CG1 3.24Å; M68-I72 WeakPolarHBondContact O-CG1 3.47Å; M68-I72 PolarHBondContact O-N 3.4Å
69S75.2Confident72.7Confident42 Ų4289.9 Ų89.929%0.29450%0.499SS..Hα-helixtrans-65.2-40174.255.80000112.2S65 A66 I72 Q73S65-S69 WeakPolarHBondContact O-CB 3.42Å; S65-S69 PolarHBondContact O-N 3.17Å; S65-S69 PolarHBondContact O-OG 3.22Å; A66-S69 WeakPolarHBondContact CA-OG 3.41Å; A66-S69 PolarHBondContact O-N 2.92Å; A66-S69 PolarHBondContact O-OG 2.87Å; S69-I72 PolarHBondContact O-N 2.99Å; S69-Q73 WeakPolarHBondContact O-CG 3.48Å; S69-Q73 PolarHBondContact O-N 3.17Å
70L77.2Confident75.1Confident98 Ų9886.3 Ų86.351%0.51348%0.475SS..Hα-helixtrans-62.4-42.3173.1-80.6159.4000112.3A66 Q73 N74A66-L70 WeakPolarHBondContact O-CB 3.25Å; A66-L70 WeakPolarHBondContact O-CD1 3.46Å; A66-L70 WeakPolarHBondContact O-CG 3.38Å; A66-L70 PolarHBondContact O-N 3.29Å; L70-Q73 PolarHBondContact O-N 3.5Å; L70-N74 WeakPolarHBondContact O-CB 3.46Å; L70-N74 VanDerWaalsContact O-CG 3.29Å; L70-N74 PolarHBondContact O-N 3.35Å; L70-N74 PolarHBondContact O-ND2 3.02Å; L70-N74 VanDerWaalsContact O-ND2 3.17Å
71S81.4Confident77.5Confident51 Ų5187.5 Ų87.536%0.35747%0.469SS..Hα-helixtrans-66.4-39.9178.5690000112.1S67 M68 N74 N75S67-S71 PolarHBondContact O-N 2.96Å; S67-S71 PolarHBondContact O-OG 2.94Å; M68-S71 PolarHBondContact O-N 3.2Å; M68-S71 PolarHBondContact O-OG 3.38Å; S71-N74 PolarHBondContact O-N 3.01Å; S71-N75 WeakPolarHBondContact O-CB 3.43Å; S71-N75 PolarHBondContact O-N 2.87Å; S71-N75 PolarHBondContact O-OD1 3.03Å
72I80.4Confident79.7Confident53 Ų5385 Ų8527%0.27246%0.46SS..Hα-helixtrans-60.8-49.1173.6-67.3162.6000110.6M68 S69 N74 N75 T76 Y116M68-I72 HydrophobicContact CG-CD1 4.27Å; M68-I72 WeakPolarHBondContact O-CD1 3.32Å; M68-I72 VanDerWaalsContact O-CG1 3.24Å; M68-I72 WeakPolarHBondContact O-CG1 3.47Å; M68-I72 PolarHBondContact O-N 3.4Å; S69-I72 PolarHBondContact O-N 2.99Å; I72-N74 VanDerWaalsContact C-N 3.32Å; I72-N74 PolarHBondContact O-N 3.41Å; I72-N75 PolarHBondContact O-N 3.48Å; I72-T76 PolarHBondContact O-N 2.93Å; I72-T76 PolarHBondContact O-OG1 3.1Å; I72-T76 VanDerWaalsContact O-OG1 3.1Å; I72-Y116 HydrophobicContact CD1-CD2 3.81Å; I72-Y116 HydrophobicContact CD1-CG 4.01Å
73Q78.5Confident81.7Confident110 Ų11077.7 Ų77.751%0.51443%0.427SS..Hα-helixtrans-59.6-41.9178.8-74.6177.7-6.900112.5S69 L70 T76 A77S69-Q73 WeakPolarHBondContact O-CG 3.48Å; S69-Q73 PolarHBondContact O-N 3.17Å; L70-Q73 PolarHBondContact O-N 3.5Å; Q73-T76 PolarHBondContact O-N 3.44Å; Q73-A77 WeakPolarHBondContact O-CB 3.44Å; Q73-A77 PolarHBondContact O-N 3.47Å
74N82.9Confident83.4Confident94 Ų9473.8 Ų73.850%0.50341%0.41SS..Hα-helixtrans-65.8-41.2176.8-73.9-31.6000111.9L70 S71 I72 A77 N78L70-N74 WeakPolarHBondContact O-CB 3.46Å; L70-N74 VanDerWaalsContact O-CG 3.29Å; L70-N74 PolarHBondContact O-N 3.35Å; L70-N74 PolarHBondContact O-ND2 3.02Å; L70-N74 VanDerWaalsContact O-ND2 3.17Å; S71-N74 PolarHBondContact O-N 3.01Å; I72-N74 VanDerWaalsContact C-N 3.32Å; I72-N74 PolarHBondContact O-N 3.41Å; N74-A77 PolarHBondContact O-N 3.45Å; N74-N78 WeakPolarHBondContact O-CB 3.42Å; N74-N78 VanDerWaalsContact O-CG 3.23Å; N74-N78 PolarHBondContact O-N 3.4Å; N74-N78 PolarHBondContact O-ND2 2.92Å
75N85.7Confident84.5Confident90 Ų9072.4 Ų72.448%0.48140%0.404SS..Hα-helixtrans-61.3-48.6176.1-70.7-9.8000110.9S71 I72 A77 N78 E79S71-N75 WeakPolarHBondContact O-CB 3.43Å; S71-N75 PolarHBondContact O-N 2.87Å; S71-N75 PolarHBondContact O-OD1 3.03Å; I72-N75 PolarHBondContact O-N 3.48Å; N75-A77 VanDerWaalsContact C-N 3.28Å; N75-A77 PolarHBondContact O-N 3.19Å; N75-N78 PolarHBondContact O-N 3.12Å; N75-E79 WeakPolarHBondContact O-CB 3.24Å; N75-E79 VanDerWaalsContact O-CG 3.32Å; N75-E79 WeakPolarHBondContact O-CG 3.24Å; N75-E79 PolarHBondContact O-N 3.12Å
76T84.3Confident85.5Confident55 Ų5575.2 Ų75.234%0.33741%0.412SS..Hα-helixtrans-60.7-37.3176.7-52.40000112.3I72 Q73 L80 L108I72-T76 PolarHBondContact O-N 2.93Å; I72-T76 PolarHBondContact O-OG1 3.1Å; I72-T76 VanDerWaalsContact O-OG1 3.1Å; Q73-T76 PolarHBondContact O-N 3.44Å; T76-L80 WeakPolarHBondContact O-CB 3.28Å; T76-L80 PolarHBondContact O-N 3.18Å; T76-L108 HydrophobicContact CG2-CD2 4.05Å
77A86.4Confident86.2Confident54 Ų5473.4 Ų73.445%0.44640%0.397SS..Hα-helixtrans-68-39.7176.700000112.5Q73 N74 N75 L81Q73-A77 WeakPolarHBondContact O-CB 3.44Å; Q73-A77 PolarHBondContact O-N 3.47Å; N74-A77 PolarHBondContact O-N 3.45Å; N75-A77 VanDerWaalsContact C-N 3.28Å; N75-A77 PolarHBondContact O-N 3.19Å; A77-L81 PolarHBondContact O-N 3.31Å; A77-L81 VanDerWaalsContact O-N 3.11Å
78N91.3Very high86.8Confident86 Ų8678.6 Ų78.646%0.4642%0.415SS..Hα-helixtrans-66.7-47.2175.3-69.7-27.7000111.1N74 N75 L80 L81 E82N74-N78 WeakPolarHBondContact O-CB 3.42Å; N74-N78 VanDerWaalsContact O-CG 3.23Å; N74-N78 PolarHBondContact O-N 3.4Å; N74-N78 PolarHBondContact O-ND2 2.92Å; N75-N78 PolarHBondContact O-N 3.12Å; N78-L80 VanDerWaalsContact C-N 3.29Å; N78-L80 PolarHBondContact O-N 3.13Å; N78-L81 WeakPolarHBondContact O-CB 3.38Å; N78-L81 PolarHBondContact O-N 2.93Å; N78-E82 WeakPolarHBondContact O-CG 3.31Å; N78-E82 PolarHBondContact O-N 3.36Å
79E89.7Confident87.4Confident98 Ų9881.3 Ų81.346%0.45843%0.428SS..Hα-helixtrans-55.8-44.5174.9-74.1170.8-177.400111.3N75 L81 E82 L83N75-E79 WeakPolarHBondContact O-CB 3.24Å; N75-E79 VanDerWaalsContact O-CG 3.32Å; N75-E79 WeakPolarHBondContact O-CG 3.24Å; N75-E79 PolarHBondContact O-N 3.12Å; E79-L81 VanDerWaalsContact C-N 3.31Å; E79-L81 PolarHBondContact O-N 3.03Å; E79-E82 PolarHBondContact O-N 3.17Å; E79-L83 WeakPolarHBondContact O-CB 3.41Å; E79-L83 VanDerWaalsContact O-CG 3.25Å; E79-L83 WeakPolarHBondContact O-CG 3.32Å; E79-L83 PolarHBondContact O-N 3.04Å
80L90.9Very high88Confident33 Ų3381.1 Ų81.117%0.17342%0.424CS..Hα-helixtrans-62.9-37.4177179.161.3000112.5T76 N78 K84 I105 L108 Q109T76-L80 WeakPolarHBondContact O-CB 3.28Å; T76-L80 PolarHBondContact O-N 3.18Å; N78-L80 VanDerWaalsContact C-N 3.29Å; N78-L80 PolarHBondContact O-N 3.13Å; L80-K84 HydrophobicContact CD1-CD 4.46Å; L80-K84 HydrophobicContact CG-CD 4.4Å; L80-K84 WeakPolarHBondContact O-CB 3.33Å; L80-K84 VanDerWaalsContact O-CG 3.26Å; L80-K84 WeakPolarHBondContact O-CG 3.36Å; L80-K84 PolarHBondContact O-N 3.05Å; L80-K84 VanDerWaalsContact O-N 3.08Å; L80-I105 HydrophobicContact CD1-CB 4.42Å; L80-I105 HydrophobicContact CD1-CG1 4.45Å; L80-I105 HydrophobicContact CD1-CG2 4.02Å; L80-L108 HydrophobicContact CB-CD1 4.41Å; L80-L108 HydrophobicContact CD1-CB 4.02Å; L80-L108 HydrophobicContact CD1-CD1 4.37Å; L80-Q109 HydrophobicContact CD1-CG 3.83Å; L80-Q109 HydrophobicContact CD2-CG 3.93Å
81L92.8Very high88.6Confident109 Ų10979.9 Ų79.957%0.57142%0.421SS*.Hα-helixtrans-68.7-44.8176.9177.863.5000111.4A77 N78 E79 K84 T85A77-L81 PolarHBondContact O-N 3.31Å; A77-L81 VanDerWaalsContact O-N 3.11Å; N78-L81 WeakPolarHBondContact O-CB 3.38Å; N78-L81 PolarHBondContact O-N 2.93Å; E79-L81 VanDerWaalsContact C-N 3.31Å; E79-L81 PolarHBondContact O-N 3.03Å; L81-K84 PolarHBondContact O-N 3.4Å; L81-T85 PolarHBondContact O-N 3.38Å; L81-T85 PolarHBondContact O-OG1 3.08Å
82E93.4Very high88.8Confident119 Ų11980.7 Ų80.756%0.55644%0.438SS*.Hα-helixtrans-60.1-50.4176.4-72.5176.2-166.400110.6N78 E79 K84 T85 E86N78-E82 WeakPolarHBondContact O-CG 3.31Å; N78-E82 PolarHBondContact O-N 3.36Å; E79-E82 PolarHBondContact O-N 3.17Å; E82-K84 PolarHBondContact O-N 3.15Å; E82-T85 WeakPolarHBondContact O-CB 3.26Å; E82-T85 PolarHBondContact O-N 3.47Å; E82-T85 VanDerWaalsContact O-N 3.1Å; E82-E86 WeakPolarHBondContact O-CG 3.28Å; E82-E86 PolarHBondContact O-N 3.11Å
83L93.6Very high89.4Confident38 Ų3884.2 Ų84.220%0.19946%0.457CS..Hα-helixtrans-57.3-47.6177-72.1170.2000111.4E79 T85 E86 A87 L101 E104 I105 L108E79-L83 WeakPolarHBondContact O-CB 3.41Å; E79-L83 VanDerWaalsContact O-CG 3.25Å; E79-L83 WeakPolarHBondContact O-CG 3.32Å; E79-L83 PolarHBondContact O-N 3.04Å; L83-T85 VanDerWaalsContact C-N 3.27Å; L83-T85 PolarHBondContact O-N 3.29Å; L83-E86 PolarHBondContact O-N 3.05Å; L83-A87 PolarHBondContact O-N 2.98Å; L83-L101 HydrophobicContact CD2-CD1 4.18Å; L83-L101 HydrophobicContact CD2-CG 4.11Å; L83-L101 WeakPolarHBondContact O-CD2 2.86Å; L83-E104 HydrophobicContact CD1-CB 4.33Å; L83-E104 HydrophobicContact CD1-CG 3.73Å; L83-I105 HydrophobicContact CB-CD1 4.31Å; L83-I105 HydrophobicContact CB-CG1 3.84Å; L83-L108 HydrophobicContact CD1-CD1 3.53Å
84K93Very high90Very high74 Ų7483.1 Ų83.132%0.32245%0.454SS..Hα-helixtrans-57.6-41.4177.2-78.5173.6177.4-178.60112.8L80 L81 E82 A87 E88 I105L80-K84 HydrophobicContact CD1-CD 4.46Å; L80-K84 HydrophobicContact CG-CD 4.4Å; L80-K84 WeakPolarHBondContact O-CB 3.33Å; L80-K84 VanDerWaalsContact O-CG 3.26Å; L80-K84 WeakPolarHBondContact O-CG 3.36Å; L80-K84 PolarHBondContact O-N 3.05Å; L80-K84 VanDerWaalsContact O-N 3.08Å; L81-K84 PolarHBondContact O-N 3.4Å; E82-K84 PolarHBondContact O-N 3.15Å; K84-A87 VanDerWaalsContact O-CB 3.31Å; K84-A87 WeakPolarHBondContact O-CB 3.42Å; K84-A87 PolarHBondContact O-N 3.03Å; K84-E88 PolarHBondContact O-N 2.97Å; K84-I105 HydrophobicContact CB-CD1 4.41Å; K84-I105 HydrophobicContact CG-CD1 3.83Å; K84-I105 HydrophobicContact CG-CG1 4.29Å; K84-I105 HydrophobicContact CG-CG2 4.21Å
85T94.1Very high90.3Very high60 Ų6084.4 Ų84.437%0.36846%0.46SS..Hα-helixtrans-65.2-44.8178-53.30000110.8L81 E82 L83 A87 E88 M89L81-T85 PolarHBondContact O-N 3.38Å; L81-T85 PolarHBondContact O-OG1 3.08Å; E82-T85 WeakPolarHBondContact O-CB 3.26Å; E82-T85 PolarHBondContact O-N 3.47Å; E82-T85 VanDerWaalsContact O-N 3.1Å; L83-T85 VanDerWaalsContact C-N 3.27Å; L83-T85 PolarHBondContact O-N 3.29Å; T85-A87 VanDerWaalsContact C-N 3.33Å; T85-A87 PolarHBondContact O-N 3.35Å; T85-E88 PolarHBondContact O-N 2.86Å; T85-M89 HydrophobicContact CG2-CE 3.88Å; T85-M89 WeakPolarHBondContact O-CG 3.45Å; T85-M89 PolarHBondContact O-N 3.12Å
86E92.4Very high90.7Very high108 Ų10886.6 Ų86.651%0.50547%0.467SS..Hα-helixtrans-63-38.1175.7-72.1-174.8-172.100112.3E82 L83 E88 M89 I90 L101E82-E86 WeakPolarHBondContact O-CG 3.28Å; E82-E86 PolarHBondContact O-N 3.11Å; L83-E86 PolarHBondContact O-N 3.05Å; E86-E88 PolarHBondContact O-N 3.39Å; E86-M89 PolarHBondContact O-N 3.34Å; E86-I90 VanDerWaalsContact O-CG1 3.32Å; E86-I90 WeakPolarHBondContact O-CG1 3.46Å; E86-I90 PolarHBondContact O-N 3.09Å; E86-L101 HydrophobicContact CB-CD1 3.67Å
87A90.6Very high91.1Very high16 Ų1685.8 Ų85.813%0.13247%0.466CS..Hα-helixtrans-54.2-40176.600000112.8L83 K84 T85 L101 I105L83-A87 PolarHBondContact O-N 2.98Å; K84-A87 VanDerWaalsContact O-CB 3.31Å; K84-A87 WeakPolarHBondContact O-CB 3.42Å; K84-A87 PolarHBondContact O-N 3.03Å; T85-A87 VanDerWaalsContact C-N 3.33Å; T85-A87 PolarHBondContact O-N 3.35Å; A87-L101 HydrophobicContact CB-CD2 3.2Å; A87-I105 HydrophobicContact CB-CD1 3.91Å
88E90.2Very high91.3Very high171 Ų17187.4 Ų87.480%0.79946%0.463SS*.Hα-helixtrans-75.7-29.5-178.6-67.7179.7179.500112K84 T85 E86K84-E88 PolarHBondContact O-N 2.97Å; T85-E88 PolarHBondContact O-N 2.86Å; E86-E88 PolarHBondContact O-N 3.39Å
89M91.1Very high91.4Very high149 Ų14988.7 Ų88.773%0.73446%0.461SS*.Hα-helixtrans-87.7-18.7-178.9-65.1-171.2-177.100114T85 E86T85-M89 HydrophobicContact CG2-CE 3.88Å; T85-M89 WeakPolarHBondContact O-CG 3.45Å; T85-M89 PolarHBondContact O-N 3.12Å; E86-M89 PolarHBondContact O-N 3.34Å
90I89.1Confident91.5Very high38 Ų3888.7 Ų88.720%0.19546%0.464CS..SBendtrans-62.1124.6-178.4-75.9166.8000110.5E86 L94 A97 K98 L101E86-I90 VanDerWaalsContact O-CG1 3.32Å; E86-I90 WeakPolarHBondContact O-CG1 3.46Å; E86-I90 PolarHBondContact O-N 3.09Å; I90-L94 HydrophobicContact CG2-CB 3.97Å; I90-A97 HydrophobicContact CD1-CB 4.49Å; I90-K98 HydrophobicContact CG2-CB 4.12Å; I90-L101 HydrophobicContact CD1-CB 4.31Å; I90-L101 HydrophobicContact CD1-CD1 3.69Å
91P89.2Confident91.6Very high72 Ų7287.9 Ų87.947%0.46846%0.46SS..  trans-65.5139.1178.328.7-35.7000110.8N93 L94P91-N93 VanDerWaalsContact CB-OD1 3.28Å; P91-N93 WeakPolarHBondContact CB-OD1 3.47Å; P91-N93 WeakPolarHBondContact CG-OD1 3.47Å; P91-N93 PolarHBondContact O-N 2.94Å; P91-N93 PolarHBondContact O-OD1 3.28Å; P91-L94 HydrophobicContact CG-CD1 3.83Å; P91-L94 HydrophobicContact CG-CG 4.09Å; P91-L94 PolarHBondContact O-N 2.99Å
92G85Confident91.5Very high68 Ų6886.8 Ų86.870%0.70145%0.452SS*.THydrogen-bonded Turntrans-62.9-12.8-170.200000116L94G92-L94 VanDerWaalsContact C-N 3.29Å
93N92.3Very high91.3Very high126 Ų12686 Ų8667%0.67444%0.444SS*.THydrogen-bonded Turntrans-72.8-20.3172.463.7-29.9000112.8P91 I95P91-N93 VanDerWaalsContact CB-OD1 3.28Å; P91-N93 WeakPolarHBondContact CB-OD1 3.47Å; P91-N93 WeakPolarHBondContact CG-OD1 3.47Å; P91-N93 PolarHBondContact O-N 2.94Å; P91-N93 PolarHBondContact O-OD1 3.28Å; N93-I95 VanDerWaalsContact C-N 3.28Å; N93-I95 PolarHBondContact O-N 3.01Å
94L92.2Very high91.1Very high87 Ų8788.4 Ų88.446%0.45545%0.454SS..  trans-90.658.2178-59.4-178.8000111.6I90 P91 G92 H96 A97 K98I90-L94 HydrophobicContact CG2-CB 3.97Å; P91-L94 HydrophobicContact CG-CD1 3.83Å; P91-L94 HydrophobicContact CG-CG 4.09Å; P91-L94 PolarHBondContact O-N 2.99Å; G92-L94 VanDerWaalsContact C-N 3.29Å; L94-H96 PolarHBondContact O-N 3.01Å; L94-H96 VanDerWaalsContact O-N 3.15Å; L94-A97 HydrophobicContact CB-CB 3.92Å; L94-A97 PolarHBondContact O-N 3.32Å; L94-K98 PolarHBondContact O-N 2.98Å
95I90.1Very high91Very high121 Ų12185.6 Ų85.662%0.62144%0.442SS*.Hα-helixtrans-53.7-40.7-175.3-57170.6000111.6N93 R99N93-I95 VanDerWaalsContact C-N 3.28Å; N93-I95 PolarHBondContact O-N 3.01Å; I95-R99 WeakPolarHBondContact O-CB 3.47Å; I95-R99 PolarHBondContact O-N 3.01Å
96H92.9Very high90.7Very high136 Ų13687.7 Ų87.763%0.6345%0.451SS*.Hα-helixtrans-72-37.2-179.7-61.5-39.6000113.2L94 R99 L100L94-H96 PolarHBondContact O-N 3.01Å; L94-H96 VanDerWaalsContact O-N 3.15Å; H96-R99 PolarHBondContact O-N 3.02Å; H96-L100 VanDerWaalsContact O-CG 3.28Å; H96-L100 WeakPolarHBondContact O-CG 3.34Å; H96-L100 PolarHBondContact O-N 3.39Å
97A93.1Very high90.3Very high39 Ų3985.2 Ų85.232%0.32244%0.443SS..Hα-helixtrans-65.2-48.6176.900000110.1I90 L94 R99 L100 L101I90-A97 HydrophobicContact CD1-CB 4.49Å; L94-A97 HydrophobicContact CB-CB 3.92Å; L94-A97 PolarHBondContact O-N 3.32Å; A97-R99 PolarHBondContact O-N 2.92Å; A97-L100 PolarHBondContact O-N 3.35Å; A97-L100 VanDerWaalsContact O-N 3.09Å; A97-L101 WeakPolarHBondContact O-CB 3.39Å; A97-L101 PolarHBondContact O-N 2.82Å
98K91.3Very high89.9Confident87 Ų8786.1 Ų86.138%0.37845%0.446SS..Hα-helixtrans-55.8-47.6174.9-177.2168.6176.9167.30112I90 L94 L100 L101 E102I90-K98 HydrophobicContact CG2-CB 4.12Å; L94-K98 PolarHBondContact O-N 2.98Å; K98-L100 VanDerWaalsContact C-N 3.32Å; K98-L100 PolarHBondContact O-N 3.19Å; K98-L101 PolarHBondContact O-N 3.01Å; K98-E102 WeakPolarHBondContact CE-OE1 3.45Å; K98-E102 HydrophobicContact CG-CG 4.27Å; K98-E102 IonicContact NZ-OE1 3.93Å; K98-E102 WeakPolarHBondContact O-CB 3.34Å; K98-E102 WeakPolarHBondContact O-CG 3.43Å; K98-E102 PolarHBondContact O-N 3.13Å
99R91.7Very high89.6Confident113 Ų11383.1 Ų83.143%0.42643%0.432SS..Hα-helixtrans-62.5-33.4176.6-176.1-163.361.488.36.1113.6I95 H96 A97 R103I95-R99 WeakPolarHBondContact O-CB 3.47Å; I95-R99 PolarHBondContact O-N 3.01Å; H96-R99 PolarHBondContact O-N 3.02Å; A97-R99 PolarHBondContact O-N 2.92Å; R99-R103 WeakPolarHBondContact O-CB 3.46Å; R99-R103 PolarHBondContact O-N 3.4Å; R99-R103 PolarHBondContact O-NH1 2.91Å
100L92.9Very high88.8Confident98 Ų9878.7 Ų78.751%0.51342%0.415SS..Hα-helixtrans-70.6-46.2177.2-76.2172.2000110.2H96 A97 K98 R103 E104H96-L100 VanDerWaalsContact O-CG 3.28Å; H96-L100 WeakPolarHBondContact O-CG 3.34Å; H96-L100 PolarHBondContact O-N 3.39Å; A97-L100 PolarHBondContact O-N 3.35Å; A97-L100 VanDerWaalsContact O-N 3.09Å; K98-L100 VanDerWaalsContact C-N 3.32Å; K98-L100 PolarHBondContact O-N 3.19Å; L100-R103 WeakPolarHBondContact O-CB 3.45Å; L100-R103 PolarHBondContact O-N 3.42Å; L100-E104 PolarHBondContact O-N 3.49Å; L100-E104 VanDerWaalsContact O-N 3.12Å
101L92.5Very high87.9Confident16 Ų1678.6 Ų78.68%0.08442%0.424CS..Hα-helixtrans-68.3-45.1-178.7-172.5154000112.1L83 E86 A87 I90 A97 K98 R103 E104 I105L83-L101 HydrophobicContact CD2-CD1 4.18Å; L83-L101 HydrophobicContact CD2-CG 4.11Å; L83-L101 WeakPolarHBondContact O-CD2 2.86Å; E86-L101 HydrophobicContact CB-CD1 3.67Å; A87-L101 HydrophobicContact CB-CD2 3.2Å; I90-L101 HydrophobicContact CD1-CB 4.31Å; I90-L101 HydrophobicContact CD1-CD1 3.69Å; A97-L101 WeakPolarHBondContact O-CB 3.39Å; A97-L101 PolarHBondContact O-N 2.82Å; K98-L101 PolarHBondContact O-N 3.01Å; L101-R103 PolarHBondContact O-N 3.47Å; L101-E104 WeakPolarHBondContact O-CB 3.24Å; L101-E104 PolarHBondContact O-N 3.34Å; L101-I105 HydrophobicContact CD2-CD1 3.42Å; L101-I105 VanDerWaalsContact CD2-CD1 3.42Å; L101-I105 HydrophobicContact CD2-CG1 4.1Å; L101-I105 WeakPolarHBondContact O-CG1 3.4Å; L101-I105 PolarHBondContact O-N 3.37Å
102E90.2Very high86.9Confident86 Ų8677.4 Ų77.440%0.40242%0.42SS..Hα-helixtrans-58.1-37.5175-74.5172.8163.700111.8K98 I105 D106K98-E102 WeakPolarHBondContact CE-OE1 3.45Å; K98-E102 HydrophobicContact CG-CG 4.27Å; K98-E102 IonicContact NZ-OE1 3.93Å; K98-E102 WeakPolarHBondContact O-CB 3.34Å; K98-E102 WeakPolarHBondContact O-CG 3.43Å; K98-E102 PolarHBondContact O-N 3.13Å; E102-I105 PolarHBondContact O-N 2.98Å; E102-D106 WeakPolarHBondContact O-CB 3.46Å; E102-D106 PolarHBondContact O-N 3.42Å
103R90Very high86.5Confident103 Ų10377.1 Ų77.139%0.38940%0.401SS..Hα-helixtrans-64.5-40.9174.3177.9-170.5-63.675.626.8111.6R99 L100 L101 D106 V107R99-R103 WeakPolarHBondContact O-CB 3.46Å; R99-R103 PolarHBondContact O-N 3.4Å; R99-R103 PolarHBondContact O-NH1 2.91Å; L100-R103 WeakPolarHBondContact O-CB 3.45Å; L100-R103 PolarHBondContact O-N 3.42Å; L101-R103 PolarHBondContact O-N 3.47Å; R103-D106 PolarHBondContact O-N 3.45Å; R103-V107 HydrophobicContact CG-CG2 4.43Å; R103-V107 WeakPolarHBondContact O-CB 3.48Å; R103-V107 WeakPolarHBondContact O-CG2 3.38Å; R103-V107 PolarHBondContact O-N 2.89Å
104E89.6Confident85.7Confident88 Ų8873.8 Ų73.841%0.41139%0.386SS..Hα-helixtrans-66.7-43.3179.6-167.860.3-161.200111.1L83 L100 L101 D106 V107 L108L83-E104 HydrophobicContact CD1-CB 4.33Å; L83-E104 HydrophobicContact CD1-CG 3.73Å; L100-E104 PolarHBondContact O-N 3.49Å; L100-E104 VanDerWaalsContact O-N 3.12Å; L101-E104 WeakPolarHBondContact O-CB 3.24Å; L101-E104 PolarHBondContact O-N 3.34Å; E104-D106 VanDerWaalsContact C-N 3.33Å; E104-D106 PolarHBondContact O-N 2.82Å; E104-V107 WeakPolarHBondContact O-CB 3.29Å; E104-V107 PolarHBondContact O-N 3.16Å; E104-V107 VanDerWaalsContact O-N 3.16Å; E104-L108 HydrophobicContact CG-CD1 4.37Å; E104-L108 WeakPolarHBondContact O-CG 3.37Å; E104-L108 PolarHBondContact O-N 2.9Å
105I90.8Very high85.1Confident15 Ų1577.4 Ų77.48%0.07740%0.4CS..Hα-helixtrans-55.8-49.4171.3-67.8172.9000110.4L80 L83 K84 A87 L101 E102 V107 L108 Q109L80-I105 HydrophobicContact CD1-CB 4.42Å; L80-I105 HydrophobicContact CD1-CG1 4.45Å; L80-I105 HydrophobicContact CD1-CG2 4.02Å; L83-I105 HydrophobicContact CB-CD1 4.31Å; L83-I105 HydrophobicContact CB-CG1 3.84Å; K84-I105 HydrophobicContact CB-CD1 4.41Å; K84-I105 HydrophobicContact CG-CD1 3.83Å; K84-I105 HydrophobicContact CG-CG1 4.29Å; K84-I105 HydrophobicContact CG-CG2 4.21Å; A87-I105 HydrophobicContact CB-CD1 3.91Å; L101-I105 HydrophobicContact CD2-CD1 3.42Å; L101-I105 VanDerWaalsContact CD2-CD1 3.42Å; L101-I105 HydrophobicContact CD2-CG1 4.1Å; L101-I105 WeakPolarHBondContact O-CG1 3.4Å; L101-I105 PolarHBondContact O-N 3.37Å; E102-I105 PolarHBondContact O-N 2.98Å; I105-V107 VanDerWaalsContact C-N 3.3Å; I105-V107 PolarHBondContact O-N 3.45Å; I105-L108 PolarHBondContact O-N 3.27Å; I105-Q109 HydrophobicContact CG2-CG 4.15Å; I105-Q109 VanDerWaalsContact O-CB 3.29Å; I105-Q109 WeakPolarHBondContact O-CB 3.49Å; I105-Q109 VanDerWaalsContact O-CG 3.24Å; I105-Q109 WeakPolarHBondContact O-CG 3.03Å; I105-Q109 PolarHBondContact O-N 3.32Å
106D87.1Confident84.6Confident105 Ų10577.9 Ų77.956%0.56140%0.395SS*.Hα-helixtrans-59.3-41178.1-79.7-17.2000111.7E102 R103 E104 S110E102-D106 WeakPolarHBondContact O-CB 3.46Å; E102-D106 PolarHBondContact O-N 3.42Å; R103-D106 PolarHBondContact O-N 3.45Å; E104-D106 VanDerWaalsContact C-N 3.33Å; E104-D106 PolarHBondContact O-N 2.82Å; D106-S110 WeakPolarHBondContact O-CA 3.5Å; D106-S110 WeakPolarHBondContact O-CB 3.21Å; D106-S110 PolarHBondContact O-N 2.73Å; D106-S110 PolarHBondContact O-OG 3.11Å
107V83.8Confident84.1Confident56 Ų5674.7 Ų74.734%0.33938%0.383SS..Hα-helixtrans-62.9-52.3178167.20000110.3R103 E104 I105 Q109 S110 G111 A112R103-V107 HydrophobicContact CG-CG2 4.43Å; R103-V107 WeakPolarHBondContact O-CB 3.48Å; R103-V107 WeakPolarHBondContact O-CG2 3.38Å; R103-V107 PolarHBondContact O-N 2.89Å; E104-V107 WeakPolarHBondContact O-CB 3.29Å; E104-V107 PolarHBondContact O-N 3.16Å; E104-V107 VanDerWaalsContact O-N 3.16Å; I105-V107 VanDerWaalsContact C-N 3.3Å; I105-V107 PolarHBondContact O-N 3.45Å; V107-Q109 PolarHBondContact O-N 2.97Å; V107-S110 PolarHBondContact O-N 2.9Å; V107-S110 PolarHBondContact O-OG 2.93Å; V107-G111 PolarHBondContact O-N 3.25Å; V107-A112 HydrophobicContact CG1-CB 3.79Å; V107-A112 PolarHBondContact O-N 3.3Å
108L83.5Confident83.5Confident35 Ų3575.4 Ų75.418%0.18338%0.381CS..Hα-helixtrans-62.5-42179-67.8177.4000112.1T76 L80 L83 E104 I105 G111T76-L108 HydrophobicContact CG2-CD2 4.05Å; L80-L108 HydrophobicContact CB-CD1 4.41Å; L80-L108 HydrophobicContact CD1-CB 4.02Å; L80-L108 HydrophobicContact CD1-CD1 4.37Å; L83-L108 HydrophobicContact CD1-CD1 3.53Å; E104-L108 HydrophobicContact CG-CD1 4.37Å; E104-L108 WeakPolarHBondContact O-CG 3.37Å; E104-L108 PolarHBondContact O-N 2.9Å; I105-L108 PolarHBondContact O-N 3.27Å; L108-G111 PolarHBondContact O-N 2.82Å
109Q83.6Confident82.8Confident107 Ų10776.2 Ų76.250%0.539%0.393SS..Hα-helixtrans-71.1-34.7177.7-71.7-170.2-60.200113.3L80 I105 V107 G111L80-Q109 HydrophobicContact CD1-CG 3.83Å; L80-Q109 HydrophobicContact CD2-CG 3.93Å; I105-Q109 HydrophobicContact CG2-CG 4.15Å; I105-Q109 VanDerWaalsContact O-CB 3.29Å; I105-Q109 WeakPolarHBondContact O-CB 3.49Å; I105-Q109 VanDerWaalsContact O-CG 3.24Å; I105-Q109 WeakPolarHBondContact O-CG 3.03Å; I105-Q109 PolarHBondContact O-N 3.32Å; V107-Q109 PolarHBondContact O-N 2.97Å; Q109-G111 PolarHBondContact O-N 3.2Å
110S74Confident81.9Confident56 Ų5678.5 Ų78.539%0.39241%0.414SS..THydrogen-bonded Turntrans-71.8-6.1179.872.90000112.9D106 V107 R127D106-S110 WeakPolarHBondContact O-CA 3.5Å; D106-S110 WeakPolarHBondContact O-CB 3.21Å; D106-S110 PolarHBondContact O-N 2.73Å; D106-S110 PolarHBondContact O-OG 3.11Å; V107-S110 PolarHBondContact O-N 2.9Å; V107-S110 PolarHBondContact O-OG 2.93Å; S110-R127 VanDerWaalsContact O-CD 3.23Å; S110-R127 WeakPolarHBondContact O-CD 3.49Å; S110-R127 PolarHBondContact O-NH1 3.27Å
111G70Confident80.3Confident37 Ų3775.5 Ų75.538%0.38141%0.406SS..THydrogen-bonded Turntrans75.272.8-175.900000109.6V107 L108 Q109V107-G111 PolarHBondContact O-N 3.25Å; L108-G111 PolarHBondContact O-N 2.82Å; Q109-G111 PolarHBondContact O-N 3.2Å
112A69.3Low78.7Confident46 Ų4682.2 Ų82.238%0.3844%0.442SS..PPolyproline II helixtrans-51.4155.1170.100000110.9V107 P114V107-A112 HydrophobicContact CG1-CB 3.79Å; V107-A112 PolarHBondContact O-N 3.3Å; A112-P114 WeakPolarHBondContact O-CD 3.31Å; A112-P114 VanDerWaalsContact O-N 3.1Å
113E75Confident77.6Confident63 Ų6379.6 Ų79.629%0.29443%0.434SS..PPolyproline II helixtrans-58.8118.1171.3-60.5-175.9169.400107E115 L128 R130E113-E115 PolarHBondContact O-N 2.89Å; E113-L128 HydrophobicContact CB-CD2 4.5Å; E113-L128 HydrophobicContact CG-CD2 3.76Å; E113-L128 WeakPolarHBondContact OE1-CD2 3.23Å; E113-R130 IonicContact OE1-CZ 3.34Å; E113-R130 IonicContact OE1-NH1 2.79Å; E113-R130 PolarHBondContact OE1-NH1 3.17Å; E113-R130 IonicContact OE1-NH2 3.34Å; E113-R130 PolarHBondContact OE1-NH2 3.09Å; E113-R130 IonicContact OE2-CZ 3.5Å; E113-R130 IonicContact OE2-NH1 3.31Å; E113-R130 PolarHBondContact OE2-NH1 3.21Å; E113-R130 IonicContact OE2-NH2 2.78Å; E113-R130 PolarHBondContact OE2-NH2 2.83Å
114P75.5Confident77Confident55 Ų5581 Ų8136%0.35744%0.444SS..PPolyproline II helixtrans-63.8138.8-174.727.4-35.6000109.3A112 Y116 L117 I126A112-P114 WeakPolarHBondContact O-CD 3.31Å; A112-P114 VanDerWaalsContact O-N 3.1Å; P114-Y116 PolarHBondContact O-N 3.12Å; P114-L117 HydrophobicContact CG-CD2 3.65Å; P114-I126 HydrophobicContact CG-CB 4.38Å; P114-I126 HydrophobicContact CG-CG2 3.73Å
115E79.8Confident76.9Confident164 Ų16480.4 Ų80.477%0.76645%0.448SS*.SBendtrans-62.2-36.4178.2-173.6-177.9167.100111.4E113E113-E115 PolarHBondContact O-N 2.89Å
116Y79.5Confident76.8Confident131 Ų13180.3 Ų80.351%0.51445%0.448SS..SBendtrans-113.1132.8179.8-57.4-87000110.3I72 P114I72-Y116 HydrophobicContact CD1-CD2 3.81Å; I72-Y116 HydrophobicContact CD1-CG 4.01Å; P114-Y116 PolarHBondContact O-N 3.12Å
117L83.8Confident77Confident69 Ų6979.2 Ų79.236%0.36144%0.436SS..  trans-111.7122.9176.3-63.8173.6000109.4P114 I126 A209 Y213P114-L117 HydrophobicContact CG-CD2 3.65Å; L117-I126 HydrophobicContact CD2-CD1 4.11Å; L117-I126 HydrophobicContact CD2-CG2 3.89Å; L117-A209 HydrophobicContact CD1-CB 4.26Å; L117-A209 HydrophobicContact CD2-CB 4.02Å; L117-Y213 HydrophobicContact CD1-CE2 3.91Å
118D78.8Confident77.4Confident54 Ų5476.5 Ų76.529%0.28942%0.42SS..  trans-85.4115.7165.2-168.4-15.2000108.9D120 G121 S123D118-D120 PolarHBondContact OD1-N 3.34Å; D118-G121 PolarHBondContact OD1-N 3.31Å; D118-S123 WeakPolarHBondContact O-CB 3.36Å; D118-S123 PolarHBondContact O-OG 2.78Å; D118-S123 VanDerWaalsContact O-OG 3.11Å
119V78.4Confident77.9Confident103 Ų10378.6 Ų78.662%0.62443%0.429SS*.  trans-95.7-25.3-178.3-175.30000111.2
120D72.3Confident78.5Confident162 Ų16278.7 Ų78.787%0.86643%0.425SS*.SBendtrans-102.7-8.9-164.6-66.6-31.2000113.6D118D118-D120 PolarHBondContact OD1-N 3.34Å
121G58.9Low79.6Confident35 Ų3581.2 Ų81.236%0.36143%0.429SS..SBendtrans-147122.9178.900000113.9D118 S123D118-G121 PolarHBondContact OD1-N 3.31Å; G121-S123 PolarHBondContact O-N 2.79Å
122N59.1Low80.9Confident156 Ų15680.9 Ų80.983%0.83442%0.419SS*.  trans43.642.6165.9-108.250.2000115.2Q124N122-Q124 PolarHBondContact O-N 3.13Å
123S67.2Low82.2Confident32 Ų3284.5 Ų84.522%0.22443%0.432CS..  trans-49.7102.8-171.9-166.90000110.7D118 G121D118-S123 WeakPolarHBondContact O-CB 3.36Å; D118-S123 PolarHBondContact O-OG 2.78Å; D118-S123 VanDerWaalsContact O-OG 3.11Å; G121-S123 PolarHBondContact O-N 2.79Å
124Q77.9Confident83.2Confident131 Ų13182 Ų8261%0.61242%0.421SS*.PPolyproline II helixtrans-57.4140.1178.8-70.7-67.5-17.500108.1N122 I126N122-Q124 PolarHBondContact O-N 3.13Å; Q124-I126 PolarHBondContact O-N 3.28Å; Q124-I126 VanDerWaalsContact O-N 3.12Å
125P87Confident84.1Confident76 Ų7680.3 Ų80.349%0.49441%0.41SS..PPolyproline II helixtrans-56.4123.6178.8-23.532.9000110.5V206 A207P125-V206 HydrophobicContact CB-CG1 3.89Å; P125-A207 CarbonylContact C-O 3.55Å; P125-A207 WeakPolarHBondContact CA-O 3.44Å
126I88.8Confident84.8Confident14 Ų1475.1 Ų75.17%0.07239%0.389CS..EExtended strand (participates in β ladder)trans-90.2151.917368.7170.3000109.5P114 L117 Q124 L128 V206 A207 A209 A212 Y213P114-I126 HydrophobicContact CG-CB 4.38Å; P114-I126 HydrophobicContact CG-CG2 3.73Å; L117-I126 HydrophobicContact CD2-CD1 4.11Å; L117-I126 HydrophobicContact CD2-CG2 3.89Å; Q124-I126 PolarHBondContact O-N 3.28Å; Q124-I126 VanDerWaalsContact O-N 3.12Å; I126-L128 HydrophobicContact CD1-CD1 4.4Å; I126-L128 HydrophobicContact CD1-CD2 3.72Å; I126-L128 HydrophobicContact CD1-CG 4.02Å; I126-L128 HydrophobicContact CG1-CD2 4.4Å; I126-L128 HydrophobicContact CG1-CG 4.34Å; I126-V206 WeakPolarHBondContact O-CA 3.4Å; I126-A207 PolarHBondContact N-O 3.12Å; I126-A207 PolarHBondContact O-N 3.14Å; I126-A209 HydrophobicContact CD1-CB 3.87Å; I126-A209 HydrophobicContact CG1-CB 4.44Å; I126-A212 HydrophobicContact CD1-CB 4.08Å; I126-A212 HydrophobicContact CG1-CB 3.77Å; I126-Y213 HydrophobicContact CD1-CD2 4.49Å; I126-Y213 HydrophobicContact CD1-CE2 3.89Å
127R90.6Very high85.4Confident81 Ų8177.7 Ų77.731%0.30641%0.406SS..EExtended strand (participates in β ladder)trans-103.3115.5171.6-173.7-177.7-172.9-167.8-0.3109.3S110 E204 V205 V206S110-R127 VanDerWaalsContact O-CD 3.23Å; S110-R127 WeakPolarHBondContact O-CD 3.49Å; S110-R127 PolarHBondContact O-NH1 3.27Å; R127-E204 IonicContact CZ-OE2 2.8Å; R127-E204 IonicContact NE-OE2 3.3Å; R127-E204 VanDerWaalsContact NH2-CD 3.26Å; R127-E204 IonicContact NH2-OE1 2.86Å; R127-E204 PolarHBondContact NH2-OE1 3.27Å; R127-E204 IonicContact NH2-OE2 3.67Å; R127-E204 PolarHBondContact NH2-OE2 3.49Å; R127-V205 CarbonylContact C-O 3.58Å; R127-V205 VanDerWaalsContact CA-O 3.31Å; R127-V205 WeakPolarHBondContact CA-O 3.17Å; R127-V206 HydrophobicContact CB-CG2 4.29Å; R127-V206 HydrophobicContact CG-CG2 4.06Å
128L93.1Very high85.7Confident0 Ų084.2 Ų84.20%043%0.425CS..EExtended strand (participates in β ladder)trans-101.4139.6170.7-58.6-180000109.7E113 I126 E204 V205 A212 Y213 L216E113-L128 HydrophobicContact CB-CD2 4.5Å; E113-L128 HydrophobicContact CG-CD2 3.76Å; E113-L128 WeakPolarHBondContact OE1-CD2 3.23Å; I126-L128 HydrophobicContact CD1-CD1 4.4Å; I126-L128 HydrophobicContact CD1-CD2 3.72Å; I126-L128 HydrophobicContact CD1-CG 4.02Å; I126-L128 HydrophobicContact CG1-CD2 4.4Å; I126-L128 HydrophobicContact CG1-CG 4.34Å; L128-E204 WeakPolarHBondContact O-CA 3.3Å; L128-V205 HydrophobicContact CB-CB 4.45Å; L128-V205 PolarHBondContact N-O 2.91Å; L128-V205 PolarHBondContact O-N 3.28Å; L128-A212 HydrophobicContact CD1-CB 3.68Å; L128-A212 HydrophobicContact CG-CB 4.07Å; L128-Y213 HydrophobicContact CD1-CD1 3.73Å; L128-Y213 HydrophobicContact CD1-CD2 4.34Å; L128-Y213 HydrophobicContact CD1-CE1 3.9Å; L128-Y213 HydrophobicContact CD1-CE2 4.47Å; L128-Y213 HydrophobicContact CD1-CG 3.95Å; L128-Y213 HydrophobicContact CD2-CE1 4.08Å; L128-L216 HydrophobicContact CB-CD2 4.17Å; L128-L216 HydrophobicContact CD1-CB 4.39Å; L128-L216 HydrophobicContact CD1-CD2 4.01Å
129M93.6Very high86.3Confident78 Ų7884 Ų8438%0.38442%0.424SS..EExtended strand (participates in β ladder)trans-138.8129.6176.6-175-84.2-64.100111.5K131 R202 I203 E204M129-K131 HydrophobicContact SD-CG 4.15Å; M129-R202 HydrophobicContact CG-CG 4.01Å; M129-R202 HydrophobicContact SD-CG 4.11Å; M129-I203 WeakPolarHBondContact CA-O 3.24Å; M129-E204 HydrophobicContact CB-CG 4.36Å; M129-E204 HydrophobicContact CG-CG 3.9Å
130R95.4Very high86.9Confident110 Ų11084.1 Ų84.142%0.41543%0.427SS..EExtended strand (participates in β ladder)trans-135.9137.5174-69-65.7177.8-96.30.6111.5E113 R202 I203 L216E113-R130 IonicContact OE1-CZ 3.34Å; E113-R130 IonicContact OE1-NH1 2.79Å; E113-R130 PolarHBondContact OE1-NH1 3.17Å; E113-R130 IonicContact OE1-NH2 3.34Å; E113-R130 PolarHBondContact OE1-NH2 3.09Å; E113-R130 IonicContact OE2-CZ 3.5Å; E113-R130 IonicContact OE2-NH1 3.31Å; E113-R130 PolarHBondContact OE2-NH1 3.21Å; E113-R130 IonicContact OE2-NH2 2.78Å; E113-R130 PolarHBondContact OE2-NH2 2.83Å; R130-R202 WeakPolarHBondContact O-CA 3.3Å; R130-I203 PolarHBondContact N-O 3.47Å; R130-I203 PolarHBondContact O-N 3.17Å; R130-L216 HydrophobicContact CB-CD1 4.34Å; R130-L216 HydrophobicContact CG-CD1 4.29Å; R130-L216 HydrophobicContact CG-CD2 3.98Å
131K96.6Very high87.7Confident109 Ų10988.2 Ų88.247%0.47443%0.431SS..EExtended strand (participates in β ladder)trans-98.3124.2170.2-66.9-176.1174.7-1760109.1M129 D197 V201M129-K131 HydrophobicContact SD-CG 4.15Å; K131-D197 IonicContact NZ-OD2 3.66Å; K131-D197 PolarHBondContact NZ-OD2 2.93Å; K131-V201 CarbonylContact C-O 3.51Å; K131-V201 WeakPolarHBondContact CA-O 3.4Å
132V97.4Very high89.2Confident30 Ų3089.1 Ų89.118%0.18243%0.425CS..EExtended strand (participates in β ladder)trans-107.9118.1177.5-174.70000108.9H200 V201 I203 L220 L223 L227V132-H200 CarbonylContact O-C 3.48Å; V132-H200 VanDerWaalsContact O-CA 3.23Å; V132-H200 WeakPolarHBondContact O-CA 3.26Å; V132-H200 WeakPolarHBondContact O-CB 3.32Å; V132-V201 PolarHBondContact N-O 3.27Å; V132-V201 PolarHBondContact O-N 3.31Å; V132-I203 HydrophobicContact CG2-CD1 4.19Å; V132-L220 HydrophobicContact CG2-CD2 3.57Å; V132-L223 HydrophobicContact CB-CD2 3.9Å; V132-L223 HydrophobicContact CG1-CD2 4Å; V132-L223 HydrophobicContact CG2-CD2 3.92Å; V132-L227 HydrophobicContact CG1-CD1 3.57Å
133L97.2Very high90.8Very high122 Ų12287 Ų8764%0.63941%0.414SS*.EExtended strand (participates in β ladder)trans-65.5134.3178.4-72.4170000111.2P198L133-P198 HydrophobicContact CD2-CB 4.05Å
134V96.5Very high92.2Very high11 Ų1185.8 Ų85.87%0.06740%0.404CS..  trans-85.1129.5172.7-177.90000108.9V136 F144 L199 V201 L227V134-V136 HydrophobicContact CB-CG1 4.37Å; V134-V136 HydrophobicContact CG1-CG1 3.85Å; V134-V136 PolarHBondContact O-N 2.8Å; V134-F144 HydrophobicContact CG1-CB 3.42Å; V134-F144 VanDerWaalsContact CG1-CB 3.42Å; V134-F144 HydrophobicContact CG1-CD1 4.17Å; V134-F144 HydrophobicContact CG1-CD2 3.67Å; V134-F144 HydrophobicContact CG1-CE2 4.48Å; V134-F144 HydrophobicContact CG1-CG 3.47Å; V134-F144 VanDerWaalsContact CG1-CG 3.47Å; V134-L199 HydrophobicContact CB-CB 4.34Å; V134-L199 HydrophobicContact CB-CD2 3.86Å; V134-L199 HydrophobicContact CB-CG 3.96Å; V134-L199 HydrophobicContact CG1-CD2 3.81Å; V134-L199 HydrophobicContact CG1-CG 4.45Å; V134-L199 HydrophobicContact CG2-CD2 4.16Å; V134-L199 HydrophobicContact CG2-CG 3.95Å; V134-L199 PolarHBondContact N-O 3.01Å; V134-V201 HydrophobicContact CG2-CG2 4.05Å; V134-L227 HydrophobicContact CB-CD2 4.45Å; V134-L227 HydrophobicContact CG1-CD2 4.17Å; V134-L227 HydrophobicContact CG2-CD2 4.04Å
135P94.9Very high93Very high18 Ų1880.6 Ų80.612%0.11738%0.382CS..  trans-79.151.6-171.332.7-35.7000113.5Q137 R138 N139 F144 L227P135-Q137 PolarHBondContact O-N 3.3Å; P135-R138 PolarHBondContact O-N 3.19Å; P135-N139 PolarHBondContact O-N 3Å; P135-N139 VanDerWaalsContact O-N 3.15Å; P135-F144 HydrophobicContact CG-CE1 3.89Å; P135-F144 HydrophobicContact CG-CE2 4.35Å; P135-F144 HydrophobicContact CG-CZ 3.74Å; P135-L227 VanDerWaalsContact CG-O 3.3Å; P135-L227 WeakPolarHBondContact CG-O 3.49Å
136V93.6Very high93.3Very high55 Ų5578.6 Ų78.633%0.33337%0.374SS..THydrogen-bonded Turntrans-65.4-34.6179.6-64.30000112.8V134 R138 N139 P140 F144 L199V134-V136 HydrophobicContact CB-CG1 4.37Å; V134-V136 HydrophobicContact CG1-CG1 3.85Å; V134-V136 PolarHBondContact O-N 2.8Å; V136-R138 VanDerWaalsContact C-N 3.33Å; V136-R138 PolarHBondContact O-N 2.98Å; V136-N139 CarbonylContact O-C 3.6Å; V136-N139 PolarHBondContact O-N 2.95Å; V136-P140 WeakPolarHBondContact O-CA 3.35Å; V136-F144 HydrophobicContact CG1-CD2 4.05Å; V136-L199 HydrophobicContact CG1-CD2 3.57Å
137Q91.6Very high93.6Very high186 Ų18679.9 Ų79.987%0.86938%0.38SS*.THydrogen-bonded Turntrans-65.5-38178.8-66.3-179.92.400111.8P135P135-Q137 PolarHBondContact O-N 3.3Å
138R91.2Very high93.8Very high205 Ų20576.3 Ų76.377%0.77437%0.366SS*.THydrogen-bonded Turntrans-76.6-26.5177.6-69-175.6-80.3165.6-6.1112.6P135 V136P135-R138 PolarHBondContact O-N 3.19Å; V136-R138 VanDerWaalsContact C-N 3.33Å; V136-R138 PolarHBondContact O-N 2.98Å
139N90.3Very high94Very high50 Ų5079.3 Ų79.327%0.26738%0.382SS..  trans-138.165.5-175.7-58.1-83.8000111.4P135 V136 R141 F142 F144 P229P135-N139 PolarHBondContact O-N 3Å; P135-N139 VanDerWaalsContact O-N 3.15Å; V136-N139 CarbonylContact O-C 3.6Å; V136-N139 PolarHBondContact O-N 2.95Å; N139-R141 PolarHBondContact O-N 2.88Å; N139-R141 VanDerWaalsContact O-N 3.14Å; N139-F142 HydrophobicContact CB-CB 4.07Å; N139-F142 PolarHBondContact O-N 2.85Å; N139-F142 VanDerWaalsContact O-N 3.09Å; N139-F144 HydrophobicContact CB-CE2 3.84Å; N139-F144 HydrophobicContact CB-CZ 3.73Å; N139-P229 WeakPolarHBondContact OD1-CG 3.36Å
140P91Very high94Very high106 Ų10676.6 Ų76.669%0.68837%0.374SS*.THydrogen-bonded Turntrans-66-22.7-169.824.6-34.8000113.9V136V136-P140 WeakPolarHBondContact O-CA 3.35Å
141R89Confident94.1Very high248 Ų24876.6 Ų76.694%0.93639%0.389SS*.THydrogen-bonded Turntrans-87.4-5179.5-62.7-171.4-71.7-147.2-0.9113.8N139N139-R141 PolarHBondContact O-N 2.88Å; N139-R141 VanDerWaalsContact O-N 3.14Å
142F92Very high93.9Very high54 Ų5475 Ų7524%0.23740%0.403CS..SBendtrans-97.1130.1-175.7-170.7-95.5000111.9N139 F144 K147 P229 V230N139-F142 HydrophobicContact CB-CB 4.07Å; N139-F142 PolarHBondContact O-N 2.85Å; N139-F142 VanDerWaalsContact O-N 3.09Å; F142-F144 HydrophobicContact CB-CD2 4.49Å; F142-F144 HydrophobicContact CB-CE2 4.01Å; F142-F144 HydrophobicContact CB-CZ 4.19Å; F142-F144 HydrophobicContact CD1-CB 4.46Å; F142-F144 AromaticContact CD1-CD1 3.47Å; F142-F144 HydrophobicContact CD1-CD1 3.47Å; F142-F144 VanDerWaalsContact CD1-CD1 3.47Å; F142-F144 AromaticContact CD1-CD2 3.81Å; F142-F144 HydrophobicContact CD1-CD2 3.81Å; F142-F144 AromaticContact CD1-CE1 3.41Å; F142-F144 HydrophobicContact CD1-CE1 3.41Å; F142-F144 VanDerWaalsContact CD1-CE1 3.41Å; F142-F144 AromaticContact CD1-CE2 3.78Å; F142-F144 HydrophobicContact CD1-CE2 3.78Å; F142-F144 AromaticContact CD1-CG 3.67Å; F142-F144 HydrophobicContact CD1-CG 3.67Å; F142-F144 AromaticContact CD1-CZ 3.57Å; F142-F144 HydrophobicContact CD1-CZ 3.57Å; F142-F144 AromaticContact CE1-CD1 3.65Å; F142-F144 HydrophobicContact CE1-CD1 3.65Å; F142-F144 AromaticContact CE1-CE1 3.79Å; F142-F144 HydrophobicContact CE1-CE1 3.79Å; F142-F144 HydrophobicContact CE1-CG 4.12Å; F142-F144 HydrophobicContact CE1-CZ 4.39Å; F142-F144 HydrophobicContact CG-CE1 4.41Å; F142-F144 HydrophobicContact CG-CE2 4.36Å; F142-F144 HydrophobicContact CG-CZ 4.22Å; F142-F144 WeakPolarHBondContact O-CD2 3.47Å; F142-F144 PolarHBondContact O-N 3.43Å; F142-F144 VanDerWaalsContact O-N 3.14Å; F142-K147 HydrophobicContact CE1-CB 4.24Å; F142-K147 HydrophobicContact CE1-CD 3.87Å; F142-K147 HydrophobicContact CZ-CB 4.3Å; F142-K147 HydrophobicContact CZ-CD 3.57Å; F142-P229 HydrophobicContact CB-CB 4.5Å; F142-P229 HydrophobicContact CD1-CB 4.39Å; F142-P229 HydrophobicContact CD2-CB 3.96Å; F142-P229 HydrophobicContact CE2-CB 4.29Å; F142-P229 HydrophobicContact CG-CB 4.01Å; F142-V230 HydrophobicContact CE2-CB 4.31Å; F142-V230 HydrophobicContact CE2-CG2 4.44Å; F142-V230 HydrophobicContact CZ-CG2 4.24Å
143N93Very high93.8Very high112 Ų11274.5 Ų74.560%0.59940%0.404SS*.  trans-85.782.3178.2-173.72.4000111.7V145 G146 K147N143-V145 PolarHBondContact OD1-N 3.34Å; N143-G146 PolarHBondContact OD1-N 2.91Å; N143-K147 PolarHBondContact O-N 3.03Å; N143-K147 VanDerWaalsContact O-N 3.11Å
144F95Very high93.8Very high5 Ų576 Ų762%0.02241%0.405CS..Hα-helixtrans-62.2-42.7176.6-67.9-77.1000113.1V134 P135 V136 N139 F142 G146 K147 L148 L227V134-F144 HydrophobicContact CG1-CB 3.42Å; V134-F144 VanDerWaalsContact CG1-CB 3.42Å; V134-F144 HydrophobicContact CG1-CD1 4.17Å; V134-F144 HydrophobicContact CG1-CD2 3.67Å; V134-F144 HydrophobicContact CG1-CE2 4.48Å; V134-F144 HydrophobicContact CG1-CG 3.47Å; V134-F144 VanDerWaalsContact CG1-CG 3.47Å; P135-F144 HydrophobicContact CG-CE1 3.89Å; P135-F144 HydrophobicContact CG-CE2 4.35Å; P135-F144 HydrophobicContact CG-CZ 3.74Å; V136-F144 HydrophobicContact CG1-CD2 4.05Å; N139-F144 HydrophobicContact CB-CE2 3.84Å; N139-F144 HydrophobicContact CB-CZ 3.73Å; F142-F144 HydrophobicContact CB-CD2 4.49Å; F142-F144 HydrophobicContact CB-CE2 4.01Å; F142-F144 HydrophobicContact CB-CZ 4.19Å; F142-F144 HydrophobicContact CD1-CB 4.46Å; F142-F144 AromaticContact CD1-CD1 3.47Å; F142-F144 HydrophobicContact CD1-CD1 3.47Å; F142-F144 VanDerWaalsContact CD1-CD1 3.47Å; F142-F144 AromaticContact CD1-CD2 3.81Å; F142-F144 HydrophobicContact CD1-CD2 3.81Å; F142-F144 AromaticContact CD1-CE1 3.41Å; F142-F144 HydrophobicContact CD1-CE1 3.41Å; F142-F144 VanDerWaalsContact CD1-CE1 3.41Å; F142-F144 AromaticContact CD1-CE2 3.78Å; F142-F144 HydrophobicContact CD1-CE2 3.78Å; F142-F144 AromaticContact CD1-CG 3.67Å; F142-F144 HydrophobicContact CD1-CG 3.67Å; F142-F144 AromaticContact CD1-CZ 3.57Å; F142-F144 HydrophobicContact CD1-CZ 3.57Å; F142-F144 AromaticContact CE1-CD1 3.65Å; F142-F144 HydrophobicContact CE1-CD1 3.65Å; F142-F144 AromaticContact CE1-CE1 3.79Å; F142-F144 HydrophobicContact CE1-CE1 3.79Å; F142-F144 HydrophobicContact CE1-CG 4.12Å; F142-F144 HydrophobicContact CE1-CZ 4.39Å; F142-F144 HydrophobicContact CG-CE1 4.41Å; F142-F144 HydrophobicContact CG-CE2 4.36Å; F142-F144 HydrophobicContact CG-CZ 4.22Å; F142-F144 WeakPolarHBondContact O-CD2 3.47Å; F142-F144 PolarHBondContact O-N 3.43Å; F142-F144 VanDerWaalsContact O-N 3.14Å; F144-G146 PolarHBondContact O-N 3.47Å; F144-K147 PolarHBondContact O-N 3.14Å; F144-L148 WeakPolarHBondContact O-CB 3.44Å; F144-L148 PolarHBondContact O-N 3.38Å; F144-L227 VanDerWaalsContact CE1-O 3.24Å; F144-L227 WeakPolarHBondContact CE1-O 3.38Å
145V95.1Very high93.8Very high23 Ų2377.5 Ų77.514%0.13941%0.414CS..Hα-helixtrans-61.2-46.3-178.71790000110.3N143 L148 L149 V169 L199N143-V145 PolarHBondContact OD1-N 3.34Å; V145-L148 PolarHBondContact O-N 2.95Å; V145-L149 HydrophobicContact CG1-CD1 3.65Å; V145-L149 HydrophobicContact CG1-CG 4.3Å; V145-L149 WeakPolarHBondContact O-CB 3.4Å; V145-L149 WeakPolarHBondContact O-CG 3.41Å; V145-L149 PolarHBondContact O-N 3.46Å; V145-V169 HydrophobicContact CG1-CG1 4.31Å; V145-V169 HydrophobicContact CG2-CG1 4.14Å; V145-L199 HydrophobicContact CG2-CD1 4.06Å; V145-L199 HydrophobicContact CG2-CD2 3.87Å
146G94.4Very high93.9Very high33 Ų3377.6 Ų77.634%0.3441%0.414SS..Hα-helixtrans-62.3-42.6176.100000113.1N143 F144 G150N143-G146 PolarHBondContact OD1-N 2.91Å; F144-G146 PolarHBondContact O-N 3.47Å; G146-G150 PolarHBondContact O-N 2.97Å
147K94.7Very high94.1Very high42 Ų4279.9 Ų79.918%0.18342%0.421CS..Hα-helixtrans-63.4-40.5175.5175.4170.1172.2-161.40112.3F142 N143 F144 Y225 Y226 Q228 V230F142-K147 HydrophobicContact CE1-CB 4.24Å; F142-K147 HydrophobicContact CE1-CD 3.87Å; F142-K147 HydrophobicContact CZ-CB 4.3Å; F142-K147 HydrophobicContact CZ-CD 3.57Å; N143-K147 PolarHBondContact O-N 3.03Å; N143-K147 VanDerWaalsContact O-N 3.11Å; F144-K147 PolarHBondContact O-N 3.14Å; K147-Y225 PolarHBondContact NZ-O 3.2Å; K147-Y226 HydrophobicContact CG-CD1 4.3Å; K147-Q228 PolarHBondContact NZ-O 2.88Å; K147-V230 HydrophobicContact CD-CG2 4.01Å
148L95.4Very high94.4Very high5 Ų572.8 Ų72.83%0.02640%0.397CS..Hα-helixtrans-72.9-42.3-178-175.662.8000112.1F144 V145 L156 L159 V169 V201 L223 Y226F144-L148 WeakPolarHBondContact O-CB 3.44Å; F144-L148 PolarHBondContact O-N 3.38Å; V145-L148 PolarHBondContact O-N 2.95Å; L148-L156 HydrophobicContact CD1-CD1 4.41Å; L148-L156 HydrophobicContact CG-CD1 4.26Å; L148-L156 PolarHBondContact O-N 3.16Å; L148-L159 HydrophobicContact CD1-CD2 4.16Å; L148-V169 HydrophobicContact CD2-CG2 3.56Å; L148-V169 HydrophobicContact CG-CG2 4.41Å; L148-V201 HydrophobicContact CD2-CG2 3.58Å; L148-L223 HydrophobicContact CD1-CD1 3.67Å; L148-L223 HydrophobicContact CD2-CD1 4.3Å; L148-Y226 HydrophobicContact CD1-CD1 4.28Å; L148-Y226 HydrophobicContact CD1-CD2 4.24Å; L148-Y226 HydrophobicContact CD1-CG 3.81Å
149L95.5Very high94.6Very high63 Ų6363.1 Ų63.133%0.3336%0.361SS..Hα-helixtrans-72.5-45.3179-69.7173.5000112.1V145 G153 K154 T155 L156V145-L149 HydrophobicContact CG1-CD1 3.65Å; V145-L149 HydrophobicContact CG1-CG 4.3Å; V145-L149 WeakPolarHBondContact O-CB 3.4Å; V145-L149 WeakPolarHBondContact O-CG 3.41Å; V145-L149 PolarHBondContact O-N 3.46Å; L149-G153 CarbonylContact O-C 3.06Å; L149-G153 WeakPolarHBondContact O-CA 3.5Å; L149-K154 PolarHBondContact O-N 3.02Å; L149-T155 WeakPolarHBondContact O-CB 3.47Å; L149-T155 PolarHBondContact O-N 3.15Å; L149-T155 VanDerWaalsContact O-N 3.17Å; L149-L156 HydrophobicContact CD2-CB 4.21Å; L149-L156 HydrophobicContact CD2-CD2 3.59Å; L149-L156 PolarHBondContact O-N 2.92Å
150G94Very high95Very high22 Ų2263.2 Ų63.223%0.22736%0.361CS..  trans63-175.6-170.700000113.7G146 G152 G153G146-G150 PolarHBondContact O-N 2.97Å; G150-G152 PolarHBondContact O-N 3.08Å; G150-G153 PolarHBondContact O-N 3.17Å; G150-G153 VanDerWaalsContact O-N 3.14Å
151P97Very high95.3Very high110 Ų11064 Ų6471%0.71436%0.355SS*.G310 helixtrans-60.3120.7-178.2-2334.1000111.9G153 K154P151-G153 PolarHBondContact O-N 3.29Å; P151-G153 VanDerWaalsContact O-N 3.16Å; P151-K154 WeakPolarHBondContact O-CB 3.28Å; P151-K154 WeakPolarHBondContact O-CG 3.39Å; P151-K154 PolarHBondContact O-N 3.31Å
152G94.3Very high95.6Very high76 Ų7656.9 Ų56.978%0.78433%0.332SS*.G310 helixtrans62.317.6-179.100000114.8G150 K154G150-G152 PolarHBondContact O-N 3.08Å; G152-K154 VanDerWaalsContact C-N 3.25Å; G152-K154 PolarHBondContact O-N 2.64Å
153G95Very high95.8Very high18 Ų1854.3 Ų54.319%0.18632%0.321CS..G310 helixtrans77.85-176.800000114.5L149 G150 P151 T155 L156 Q157L149-G153 CarbonylContact O-C 3.06Å; L149-G153 WeakPolarHBondContact O-CA 3.5Å; G150-G153 PolarHBondContact O-N 3.17Å; G150-G153 VanDerWaalsContact O-N 3.14Å; P151-G153 PolarHBondContact O-N 3.29Å; P151-G153 VanDerWaalsContact O-N 3.16Å; G153-T155 VanDerWaalsContact C-N 3.28Å; G153-T155 PolarHBondContact O-N 3.05Å; G153-L156 PolarHBondContact O-N 3.31Å; G153-Q157 WeakPolarHBondContact O-CG 3.48Å; G153-Q157 PolarHBondContact O-N 2.89Å
154K96.8Very high96Very high155 Ų15555.1 Ų55.167%0.67432%0.32SS*.Hα-helixtrans-63-32-173.7-71.3-175.3177.3-176.70113.4L149 P151 G152 Q157 G158L149-K154 PolarHBondContact O-N 3.02Å; P151-K154 WeakPolarHBondContact O-CB 3.28Å; P151-K154 WeakPolarHBondContact O-CG 3.39Å; P151-K154 PolarHBondContact O-N 3.31Å; G152-K154 VanDerWaalsContact C-N 3.25Å; G152-K154 PolarHBondContact O-N 2.64Å; K154-Q157 PolarHBondContact O-N 3.09Å; K154-G158 PolarHBondContact O-N 2.97Å
155T96.3Very high96.1Very high42 Ų4255.1 Ų55.126%0.25832%0.32SS..Hα-helixtrans-67.2-49.2178.1-59.50000110.6L149 G153 Q157 G158 L159 Y226L149-T155 WeakPolarHBondContact O-CB 3.47Å; L149-T155 PolarHBondContact O-N 3.15Å; L149-T155 VanDerWaalsContact O-N 3.17Å; G153-T155 VanDerWaalsContact C-N 3.28Å; G153-T155 PolarHBondContact O-N 3.05Å; T155-Q157 VanDerWaalsContact C-N 3.32Å; T155-Q157 PolarHBondContact O-N 2.97Å; T155-G158 PolarHBondContact O-N 3.43Å; T155-L159 PolarHBondContact O-N 3.09Å; T155-Y226 HydrophobicContact CG2-CD1 4.26Å; T155-Y226 HydrophobicContact CG2-CE1 3.32Å
156L97Very high96.2Very high19 Ų1961.2 Ų61.210%0.09934%0.341CS..Hα-helixtrans-63.5-40175.7-17962.5000111.4L148 L149 G153 G158 L159 I160 I167 V169L148-L156 HydrophobicContact CD1-CD1 4.41Å; L148-L156 HydrophobicContact CG-CD1 4.26Å; L148-L156 PolarHBondContact O-N 3.16Å; L149-L156 HydrophobicContact CD2-CB 4.21Å; L149-L156 HydrophobicContact CD2-CD2 3.59Å; L149-L156 PolarHBondContact O-N 2.92Å; G153-L156 PolarHBondContact O-N 3.31Å; L156-G158 PolarHBondContact O-N 3.31Å; L156-L159 HydrophobicContact CD1-CD2 4.37Å; L156-L159 WeakPolarHBondContact O-CB 3.25Å; L156-L159 PolarHBondContact O-N 3.23Å; L156-I160 HydrophobicContact CD1-CD1 4.49Å; L156-I160 HydrophobicContact CG-CD1 4.06Å; L156-I160 VanDerWaalsContact O-CG1 3.29Å; L156-I160 WeakPolarHBondContact O-CG1 3.2Å; L156-I160 PolarHBondContact O-N 2.9Å; L156-I167 HydrophobicContact CD1-CB 4.08Å; L156-I167 HydrophobicContact CD1-CG2 3.71Å; L156-V169 HydrophobicContact CD2-CG2 4.24Å
157Q97.4Very high96.4Very high104 Ų10460.1 Ų60.149%0.48633%0.327SS..Hα-helixtrans-59.6-46.1174.1-73.3175.32.100111.2G153 K154 T155 L159 I160 H161G153-Q157 WeakPolarHBondContact O-CG 3.48Å; G153-Q157 PolarHBondContact O-N 2.89Å; K154-Q157 PolarHBondContact O-N 3.09Å; T155-Q157 VanDerWaalsContact C-N 3.32Å; T155-Q157 PolarHBondContact O-N 2.97Å; Q157-L159 VanDerWaalsContact C-N 3.32Å; Q157-L159 PolarHBondContact O-N 3.25Å; Q157-I160 PolarHBondContact O-N 3.47Å; Q157-H161 PolarHBondContact O-N 3.14Å; Q157-H161 PolarHBondContact O-ND1 2.94Å
158G97.3Very high96.5Very high36 Ų3661.9 Ų61.937%0.37133%0.333SS..Hα-helixtrans-56.5-46175.600000112.3K154 T155 L156 I160 H161 Q162K154-G158 PolarHBondContact O-N 2.97Å; T155-G158 PolarHBondContact O-N 3.43Å; L156-G158 PolarHBondContact O-N 3.31Å; G158-I160 PolarHBondContact O-N 2.75Å; G158-H161 PolarHBondContact O-N 2.9Å; G158-Q162 WeakPolarHBondContact O-CB 3.21Å; G158-Q162 PolarHBondContact O-N 2.87Å
159L97Very high96.6Very high3 Ų363 Ų632%0.01634%0.339CS..Hα-helixtrans-59.2-44.8176.9-178.562.8000112.4L148 T155 L156 Q157 Q162 T163 I167 E222 L223 Y226L148-L159 HydrophobicContact CD1-CD2 4.16Å; T155-L159 PolarHBondContact O-N 3.09Å; L156-L159 HydrophobicContact CD1-CD2 4.37Å; L156-L159 WeakPolarHBondContact O-CB 3.25Å; L156-L159 PolarHBondContact O-N 3.23Å; Q157-L159 VanDerWaalsContact C-N 3.32Å; Q157-L159 PolarHBondContact O-N 3.25Å; L159-Q162 PolarHBondContact O-N 3.5Å; L159-T163 HydrophobicContact CD1-CG2 3.78Å; L159-T163 HydrophobicContact CG-CG2 4.45Å; L159-T163 WeakPolarHBondContact O-CB 3.34Å; L159-T163 VanDerWaalsContact O-CG2 3.27Å; L159-T163 WeakPolarHBondContact O-CG2 3.42Å; L159-T163 PolarHBondContact O-N 2.83Å; L159-T163 PolarHBondContact O-OG1 2.84Å; L159-I167 HydrophobicContact CD2-CD1 3.76Å; L159-I167 HydrophobicContact CG-CD1 3.61Å; L159-E222 HydrophobicContact CD1-CB 3.37Å; L159-E222 HydrophobicContact CD1-CG 4.09Å; L159-L223 HydrophobicContact CD2-CD1 4.45Å; L159-Y226 HydrophobicContact CD1-CE2 4.39Å; L159-Y226 HydrophobicContact CD2-CD2 4.37Å; L159-Y226 HydrophobicContact CD2-CE2 4.36Å
160I97.6Very high96.6Very high52 Ų5261.1 Ų61.127%0.26733%0.33SS..Hα-helixtrans-59.8-46.3175-70.1168.4000110.7L156 Q157 G158 K164 C165 I167L156-I160 HydrophobicContact CD1-CD1 4.49Å; L156-I160 HydrophobicContact CG-CD1 4.06Å; L156-I160 VanDerWaalsContact O-CG1 3.29Å; L156-I160 WeakPolarHBondContact O-CG1 3.2Å; L156-I160 PolarHBondContact O-N 2.9Å; Q157-I160 PolarHBondContact O-N 3.47Å; G158-I160 PolarHBondContact O-N 2.75Å; I160-K164 WeakPolarHBondContact O-CA 3.45Å; I160-K164 PolarHBondContact O-N 2.83Å; I160-C165 VanDerWaalsContact CG2-O 3.26Å; I160-C165 WeakPolarHBondContact CG2-O 3.23Å; I160-I167 HydrophobicContact CD1-CB 4.32Å; I160-I167 HydrophobicContact CG1-CB 3.8Å; I160-I167 HydrophobicContact CG1-CD1 4.14Å; I160-I167 HydrophobicContact CG1-CG1 4Å
161H97.2Very high96.7Very high123 Ų12360.1 Ų60.157%0.56932%0.319SS*.Hα-helixtrans-67.6-37.5-178.6-74.188.9000113.1Q157 G158 K164Q157-H161 PolarHBondContact O-N 3.14Å; Q157-H161 PolarHBondContact O-ND1 2.94Å; G158-H161 PolarHBondContact O-N 2.9Å; H161-K164 WeakPolarHBondContact O-CD 3.3Å; H161-K164 VanDerWaalsContact O-CE 3.26Å; H161-K164 WeakPolarHBondContact O-CE 3.37Å; H161-K164 PolarHBondContact O-NZ 2.85Å
162Q96.4Very high96.6Very high97 Ų9761.8 Ų61.845%0.45331%0.311SS..Hα-helixtrans-71.2-46.8179.3177.6179.5-20.800111.5G158 L159 H218 E222G158-Q162 WeakPolarHBondContact O-CB 3.21Å; G158-Q162 PolarHBondContact O-N 2.87Å; L159-Q162 PolarHBondContact O-N 3.5Å; Q162-H218 PolarHBondContact NE2-NE2 3.22Å; Q162-E222 VanDerWaalsContact NE2-CD 3.29Å; Q162-E222 PolarHBondContact NE2-OE1 2.95Å
163T96.4Very high96.5Very high1 Ų159.5 Ų59.51%0.00629%0.288CS..Hα-helixtrans-82.9-14.9-174.660.50000113.3L159 C165 A219 E222L159-T163 HydrophobicContact CD1-CG2 3.78Å; L159-T163 HydrophobicContact CG-CG2 4.45Å; L159-T163 WeakPolarHBondContact O-CB 3.34Å; L159-T163 VanDerWaalsContact O-CG2 3.27Å; L159-T163 WeakPolarHBondContact O-CG2 3.42Å; L159-T163 PolarHBondContact O-N 2.83Å; L159-T163 PolarHBondContact O-OG1 2.84Å; T163-C165 PolarHBondContact O-N 3.04Å; T163-C165 PolarHBondContact O-SG 2.83Å; T163-C165 PolarHBondContact OG1-N 2.78Å; T163-A219 HydrophobicContact CG2-CB 3.92Å; T163-E222 HydrophobicContact CG2-CB 4.47Å; T163-E222 HydrophobicContact CG2-CG 4.27Å
164K97.1Very high96.5Very high129 Ų12959.8 Ų59.856%0.56129%0.287SS*.THydrogen-bonded Turntrans56.134.1-173.2-51.8-60.4-179-160.20112.4I160 H161I160-K164 WeakPolarHBondContact O-CA 3.45Å; I160-K164 PolarHBondContact O-N 2.83Å; H161-K164 WeakPolarHBondContact O-CD 3.3Å; H161-K164 VanDerWaalsContact O-CE 3.26Å; H161-K164 WeakPolarHBondContact O-CE 3.37Å; H161-K164 PolarHBondContact O-NZ 2.85Å
165C97.1Very high96.2Very high5 Ų554 Ų543%0.03427%0.266CS..  trans-115.5154.3178.9-60.80000110.2I160 T163 I167 I203 V205 A219I160-C165 VanDerWaalsContact CG2-O 3.26Å; I160-C165 WeakPolarHBondContact CG2-O 3.23Å; T163-C165 PolarHBondContact O-N 3.04Å; T163-C165 PolarHBondContact O-SG 2.83Å; T163-C165 PolarHBondContact OG1-N 2.78Å; C165-I167 HydrophobicContact CB-CG1 4.17Å; C165-I203 HydrophobicContact CB-CG2 3.92Å; C165-V205 HydrophobicContact CB-CG2 4.18Å; C165-V205 WeakPolarHBondContact SG-CG2 3.32Å; C165-A219 HydrophobicContact CB-CB 4.34Å
166R96.6Very high95.7Very high151 Ų15162.9 Ų62.957%0.5730%0.295SS*.EExtended strand (participates in β ladder)trans-85.4127.6164.2-62.5177.1177.6-178.9-0.4108Y168 I203 E204R166-Y168 HydrophobicContact CB-CE2 3.76Å; R166-I203 CarbonylContact O-C 3.2Å; R166-I203 WeakPolarHBondContact O-CA 3.46Å; R166-E204 HydrophobicContact CB-CB 4.22Å; R166-E204 PolarHBondContact N-O 3.35Å; R166-E204 PolarHBondContact O-N 3.42Å
167I97.8Very high95.3Very high9 Ų964.4 Ų64.45%0.04630%0.303CS..EExtended strand (participates in β ladder)trans-128.1127.3-176.4-54.7176.8000108.9L156 L159 I160 C165 V201 R202L156-I167 HydrophobicContact CD1-CB 4.08Å; L156-I167 HydrophobicContact CD1-CG2 3.71Å; L159-I167 HydrophobicContact CD2-CD1 3.76Å; L159-I167 HydrophobicContact CG-CD1 3.61Å; I160-I167 HydrophobicContact CD1-CB 4.32Å; I160-I167 HydrophobicContact CG1-CB 3.8Å; I160-I167 HydrophobicContact CG1-CD1 4.14Å; I160-I167 HydrophobicContact CG1-CG1 4Å; C165-I167 HydrophobicContact CB-CG1 4.17Å; I167-V201 HydrophobicContact CG2-CG1 3.43Å; I167-V201 VanDerWaalsContact CG2-CG1 3.43Å; I167-R202 WeakPolarHBondContact CA-O 3.44Å
168Y96.9Very high94.7Very high80 Ų8067 Ų6731%0.31431%0.313SS..EExtended strand (participates in β ladder)trans-124.9140.1-178.1-53-86.8000110.3R166 V201 R202 E204R166-Y168 HydrophobicContact CB-CE2 3.76Å; Y168-V201 CarbonylContact O-C 3.58Å; Y168-V201 VanDerWaalsContact O-CA 3.24Å; Y168-V201 WeakPolarHBondContact O-CA 3.4Å; Y168-R202 HydrophobicContact CD2-CB 4.41Å; Y168-R202 PolarHBondContact N-O 3.31Å; Y168-R202 PolarHBondContact O-N 3.5Å; Y168-E204 HydrophobicContact CE2-CG 4.34Å
169V97Very high94.2Very high27 Ų2769.7 Ų69.716%0.16433%0.326CS..EExtended strand (participates in β ladder)trans-99.4116.5168.3-173.50000107.6V145 L148 L156 L199V145-V169 HydrophobicContact CG1-CG1 4.31Å; V145-V169 HydrophobicContact CG2-CG1 4.14Å; L148-V169 HydrophobicContact CD2-CG2 3.56Å; L148-V169 HydrophobicContact CG-CG2 4.41Å; L156-V169 HydrophobicContact CD2-CG2 4.24Å; V169-L199 HydrophobicContact CG1-CD1 4.38Å
170L96.6Very high93.9Very high25 Ų2575 Ų7513%0.13135%0.349CS..EExtended strand (participates in β ladder)trans-134.8177.6-171.3-58.8175.4000110H194 L199 H200 R202L170-H194 HydrophobicContact CB-CB 4.37Å; L170-L199 WeakPolarHBondContact O-CD1 3.47Å; L170-H200 PolarHBondContact N-O 3.06Å; L170-H200 PolarHBondContact O-N 3.29Å; L170-R202 HydrophobicContact CD1-CB 3.92Å
171G96.1Very high93.6Very high0 Ų072.8 Ų72.80%034%0.338CS..SBendtrans89176.3-177.100000114.3S174 H194 D197G171-S174 VanDerWaalsContact O-CB 3.25Å; G171-S174 WeakPolarHBondContact O-CB 3.48Å; G171-S174 PolarHBondContact O-N 2.94Å; G171-S174 PolarHBondContact O-OG 2.79Å; G171-H194 WeakPolarHBondContact CA-O 3.26Å; G171-H194 PolarHBondContact N-ND1 3.25Å; G171-H194 PolarHBondContact N-O 3.08Å; G171-D197 CarbonylContact C-O 3.58Å; G171-D197 VanDerWaalsContact CA-O 3.3Å; G171-D197 WeakPolarHBondContact CA-O 3.41Å
172R94.2Very high93.3Very high146 Ų14670.6 Ų70.655%0.55133%0.328SS*.THydrogen-bonded Turntrans-61.6131.2178.1-163.4177.6-172.9171.35.7111.5S174 E181 E182 L195 D197 L199R172-S174 VanDerWaalsContact C-N 3.34Å; R172-E181 WeakPolarHBondContact CA-OE1 3.28Å; R172-E181 WeakPolarHBondContact CG-OE1 3.43Å; R172-E182 IonicContact CZ-OE1 3.68Å; R172-E182 IonicContact NE-OE1 2.78Å; R172-E182 IonicContact NH2-OE1 3.89Å; R172-E182 PolarHBondContact NH2-OE1 3.47Å; R172-L195 WeakPolarHBondContact CB-O 3.3Å; R172-D197 PolarHBondContact N-O 3.25Å; R172-L199 WeakPolarHBondContact O-CB 3.37Å
173G92.7Very high93Very high28 Ų2871.4 Ų71.429%0.28934%0.335SS..THydrogen-bonded Turntrans8010.7-177.500000114.5S175 E181G173-S175 VanDerWaalsContact C-N 3.34Å; G173-E181 WeakPolarHBondContact CA-OE2 3.37Å; G173-E181 VanDerWaalsContact N-CD 3.3Å; G173-E181 PolarHBondContact N-OE1 3.19Å; G173-E181 PolarHBondContact N-OE2 3.44Å; G173-E181 VanDerWaalsContact N-OE2 3.09Å
174S94.5Very high92.8Very high23 Ų2373.7 Ų73.716%0.16135%0.347CS..  trans-76.9-23.7172.559.40000112.2G171 R172 E181G171-S174 VanDerWaalsContact O-CB 3.25Å; G171-S174 WeakPolarHBondContact O-CB 3.48Å; G171-S174 PolarHBondContact O-N 2.94Å; G171-S174 PolarHBondContact O-OG 2.79Å; R172-S174 VanDerWaalsContact C-N 3.34Å; S174-E181 PolarHBondContact N-OE2 3.18Å
175S90.2Very high92.5Very high35 Ų3568.8 Ų68.825%0.24533%0.327CS..SBendtrans-75.9144.4179.5-56.90000110.9G173 D177 E181G173-S175 VanDerWaalsContact C-N 3.34Å; S175-D177 VanDerWaalsContact C-N 3.31Å; S175-D177 PolarHBondContact O-N 3.47Å; S175-E181 VanDerWaalsContact CB-OE2 3.22Å; S175-E181 WeakPolarHBondContact CB-OE2 3.36Å; S175-E181 PolarHBondContact N-OE2 3.27Å; S175-E181 VanDerWaalsContact N-OE2 3.15Å; S175-E181 PolarHBondContact OG-OE2 3.31Å
176R86.3Confident92.2Very high227 Ų22774.6 Ų74.686%0.85736%0.357SS*.SBendtrans-62.9-42.4174.4-171.4-178.472.7176.7-1.1111.5
177D89.2Confident91.9Very high52 Ų5270.7 Ų70.728%0.27835%0.353SS..  trans-100.391.1-175-59.1-12.1000109S175 S179 K180 E181S175-D177 VanDerWaalsContact C-N 3.31Å; S175-D177 PolarHBondContact O-N 3.47Å; D177-S179 PolarHBondContact O-N 3.29Å; D177-K180 HydrophobicContact CB-CB 4.23Å; D177-K180 HydrophobicContact CB-CD 3.92Å; D177-K180 HydrophobicContact CB-CG 4.12Å; D177-K180 PolarHBondContact O-N 3.47Å; D177-K180 IonicContact OD2-NZ 2.83Å; D177-K180 PolarHBondContact OD2-NZ 3.37Å; D177-E181 PolarHBondContact O-N 2.97Å
178K85.5Confident91.4Very high158 Ų15873.2 Ų73.269%0.68738%0.381SS*.Hα-helixtrans-59.6-30.8-176.7-64.1-176.3-179.9-175.20113.9E181K178-E181 WeakPolarHBondContact O-CB 3.44Å; K178-E181 PolarHBondContact O-N 3.12Å
179S86.6Confident91Very high93 Ų9372.7 Ų72.765%0.6538%0.384SS*.Hα-helixtrans-65.1-42.6177.748.60000112.1D177 E181D177-S179 PolarHBondContact O-N 3.29Å; S179-E181 VanDerWaalsContact C-N 3.25Å; S179-E181 PolarHBondContact O-N 2.98Å
180K90.5Very high90.6Very high114 Ų11476.6 Ų76.650%0.49641%0.41SS..Hα-helixtrans-71.8-23.1178-63.4180-174.6159.40112.3D177 E182 D183 L184D177-K180 HydrophobicContact CB-CB 4.23Å; D177-K180 HydrophobicContact CB-CD 3.92Å; D177-K180 HydrophobicContact CB-CG 4.12Å; D177-K180 PolarHBondContact O-N 3.47Å; D177-K180 IonicContact OD2-NZ 2.83Å; D177-K180 PolarHBondContact OD2-NZ 3.37Å; K180-E182 VanDerWaalsContact C-N 3.31Å; K180-E182 PolarHBondContact O-N 2.89Å; K180-D183 PolarHBondContact O-N 2.96Å; K180-L184 VanDerWaalsContact O-CG 3.28Å; K180-L184 WeakPolarHBondContact O-CG 3.22Å; K180-L184 PolarHBondContact O-N 3.25Å
181E90.9Very high90.2Very high6 Ų681.9 Ų81.93%0.02843%0.432CS..Hα-helixtrans-60.2-41.7-178.5-163.6176.1100.900111.7R172 G173 S174 S175 D177 K178 S179 L184 I185 L195R172-E181 WeakPolarHBondContact CA-OE1 3.28Å; R172-E181 WeakPolarHBondContact CG-OE1 3.43Å; G173-E181 WeakPolarHBondContact CA-OE2 3.37Å; G173-E181 VanDerWaalsContact N-CD 3.3Å; G173-E181 PolarHBondContact N-OE1 3.19Å; G173-E181 PolarHBondContact N-OE2 3.44Å; G173-E181 VanDerWaalsContact N-OE2 3.09Å; S174-E181 PolarHBondContact N-OE2 3.18Å; S175-E181 VanDerWaalsContact CB-OE2 3.22Å; S175-E181 WeakPolarHBondContact CB-OE2 3.36Å; S175-E181 PolarHBondContact N-OE2 3.27Å; S175-E181 VanDerWaalsContact N-OE2 3.15Å; S175-E181 PolarHBondContact OG-OE2 3.31Å; D177-E181 PolarHBondContact O-N 2.97Å; K178-E181 WeakPolarHBondContact O-CB 3.44Å; K178-E181 PolarHBondContact O-N 3.12Å; S179-E181 VanDerWaalsContact C-N 3.25Å; S179-E181 PolarHBondContact O-N 2.98Å; E181-L184 PolarHBondContact O-N 3.42Å; E181-I185 HydrophobicContact CG-CD1 4.28Å; E181-I185 VanDerWaalsContact O-CG1 3.25Å; E181-I185 WeakPolarHBondContact O-CG1 3.41Å; E181-I185 PolarHBondContact O-N 2.78Å; E181-L195 HydrophobicContact CG-CB 4.49Å; E181-L195 HydrophobicContact CG-CD1 3.76Å; E181-L195 HydrophobicContact CG-CD2 3.79Å; E181-L195 HydrophobicContact CG-CG 4.23Å
182E89.9Confident90Very high77 Ų7784.7 Ų84.736%0.3644%0.443SS..Hα-helixtrans-65.9-39.2177.7-63.5-69.215400111.6R172 K180 L184 I185 N186R172-E182 IonicContact CZ-OE1 3.68Å; R172-E182 IonicContact NE-OE1 2.78Å; R172-E182 IonicContact NH2-OE1 3.89Å; R172-E182 PolarHBondContact NH2-OE1 3.47Å; K180-E182 VanDerWaalsContact C-N 3.31Å; K180-E182 PolarHBondContact O-N 2.89Å; E182-L184 VanDerWaalsContact C-N 3.34Å; E182-L184 PolarHBondContact O-N 3.26Å; E182-I185 PolarHBondContact O-N 3.17Å; E182-N186 WeakPolarHBondContact O-CB 3.4Å; E182-N186 VanDerWaalsContact O-CG 3.3Å; E182-N186 PolarHBondContact O-N 3.47Å; E182-N186 PolarHBondContact O-ND2 2.74Å
183D91.9Very high89.9Confident113 Ų11380.3 Ų80.360%0.60444%0.437SS*.Hα-helixtrans-62.9-40.9173.6-60.8-34.1000111.4K180 N186 S187K180-D183 PolarHBondContact O-N 2.96Å; D183-N186 PolarHBondContact O-N 3.09Å; D183-S187 PolarHBondContact O-N 3.24Å
184L91.7Very high89.9Confident50 Ų5081.3 Ų81.326%0.26244%0.435SS..Hα-helixtrans-66.9-37.6176.8-67.8173.7000112K180 E181 E182 N186 S187 Y192 L195K180-L184 VanDerWaalsContact O-CG 3.28Å; K180-L184 WeakPolarHBondContact O-CG 3.22Å; K180-L184 PolarHBondContact O-N 3.25Å; E181-L184 PolarHBondContact O-N 3.42Å; E182-L184 VanDerWaalsContact C-N 3.34Å; E182-L184 PolarHBondContact O-N 3.26Å; L184-N186 VanDerWaalsContact C-N 3.33Å; L184-S187 WeakPolarHBondContact O-CB 3.25Å; L184-S187 PolarHBondContact O-N 2.65Å; L184-S187 PolarHBondContact O-OG 3.29Å; L184-Y192 HydrophobicContact CB-CD1 4.2Å; L184-Y192 HydrophobicContact CB-CD2 4.39Å; L184-Y192 HydrophobicContact CB-CG 4.04Å; L184-Y192 HydrophobicContact CD1-CD1 4.03Å; L184-Y192 HydrophobicContact CD1-CE1 3.88Å; L184-Y192 HydrophobicContact CD2-CD1 4.34Å; L184-Y192 HydrophobicContact CD2-CD2 4.01Å; L184-Y192 HydrophobicContact CD2-CE1 4.05Å; L184-Y192 HydrophobicContact CD2-CE2 3.75Å; L184-Y192 HydrophobicContact CD2-CG 4.31Å; L184-Y192 HydrophobicContact CG-CD1 4.43Å; L184-Y192 HydrophobicContact CG-CE1 4.43Å; L184-L195 HydrophobicContact CB-CD1 3.79Å; L184-L195 HydrophobicContact CD1-CD1 4.48Å
185I89.7Confident89.9Confident26 Ų2680.3 Ų80.313%0.13343%0.427CS..Hα-helixtrans-62.1-43.6173.5-69.8161.6000110.6E181 E182 S187 L195 K196E181-I185 HydrophobicContact CG-CD1 4.28Å; E181-I185 VanDerWaalsContact O-CG1 3.25Å; E181-I185 WeakPolarHBondContact O-CG1 3.41Å; E181-I185 PolarHBondContact O-N 2.78Å; E182-I185 PolarHBondContact O-N 3.17Å; I185-S187 VanDerWaalsContact C-N 3.33Å; I185-L195 HydrophobicContact CD1-CB 3.93Å; I185-L195 HydrophobicContact CG1-CB 3.4Å; I185-L195 VanDerWaalsContact CG1-CB 3.4Å; I185-L195 HydrophobicContact CG1-CD1 3.95Å; I185-L195 HydrophobicContact CG1-CG 4.34Å; I185-K196 HydrophobicContact CG2-CG 4.07Å
186N90.5Very high90Very high126 Ų12685.8 Ų85.867%0.67445%0.447SS*.Hα-helixtrans-76.7-18.5-177.9-68.6-35.1000113.5E182 D183 L184 G188E182-N186 WeakPolarHBondContact O-CB 3.4Å; E182-N186 VanDerWaalsContact O-CG 3.3Å; E182-N186 PolarHBondContact O-N 3.47Å; E182-N186 PolarHBondContact O-ND2 2.74Å; D183-N186 PolarHBondContact O-N 3.09Å; L184-N186 VanDerWaalsContact C-N 3.33Å; N186-G188 PolarHBondContact O-N 3.15Å
187S90.5Very high90.4Very high69 Ų6977.6 Ų77.648%0.48342%0.42SS..THydrogen-bonded Turntrans-59.3-25.5177.175.10000113.7D183 L184 I185 D189D183-S187 PolarHBondContact O-N 3.24Å; L184-S187 WeakPolarHBondContact O-CB 3.25Å; L184-S187 PolarHBondContact O-N 2.65Å; L184-S187 PolarHBondContact O-OG 3.29Å; I185-S187 VanDerWaalsContact C-N 3.33Å; S187-D189 PolarHBondContact O-N 3.5Å; S187-D189 PolarHBondContact OG-N 3Å
188G87.3Confident90.7Very high62 Ų6279.2 Ų79.264%0.63943%0.433SS*.  trans74.11-176.600000114.6N186N186-G188 PolarHBondContact O-N 3.15Å
189D89.6Confident91.2Very high69 Ų6972.4 Ų72.437%0.36940%0.404SS..  trans-67.1124.9178.9175.9-7.1000110.4S187 K191 Y192S187-D189 PolarHBondContact O-N 3.5Å; S187-D189 PolarHBondContact OG-N 3Å; D189-K191 PolarHBondContact O-N 3.29Å; D189-K191 VanDerWaalsContact O-N 3.09Å; D189-K191 WeakPolarHBondContact OD1-CB 3.39Å; D189-K191 PolarHBondContact OD1-N 3.15Å; D189-Y192 HydrophobicContact CB-CD2 3.98Å; D189-Y192 PolarHBondContact O-N 2.69Å
190P87.8Confident91.8Very high109 Ų10968.2 Ų68.271%0.70838%0.375SS*.G310 helixtrans-57.3-25.6-179.123.6-35.3000113.3Y192 A193P190-Y192 PolarHBondContact O-N 3.47Å; P190-A193 VanDerWaalsContact O-CB 3.3Å; P190-A193 WeakPolarHBondContact O-CB 3.29Å; P190-A193 PolarHBondContact O-N 3Å; P190-A193 VanDerWaalsContact O-N 3.17Å
191K89.3Confident92.1Very high137 Ų13762.8 Ų62.860%0.59635%0.351SS*.G310 helixtrans-56.7-32.8174.5-177.7-178.2173.7-169.10112.6D189 H194D189-K191 PolarHBondContact O-N 3.29Å; D189-K191 VanDerWaalsContact O-N 3.09Å; D189-K191 WeakPolarHBondContact OD1-CB 3.39Å; D189-K191 PolarHBondContact OD1-N 3.15Å; K191-H194 PolarHBondContact O-CD2 3.04Å; K191-H194 VanDerWaalsContact O-CD2 3.23Å
192Y92Very high92.4Very high59 Ų5965.9 Ų65.923%0.23136%0.362CS..G310 helixtrans-104.16.4-177-59-68.6000113L184 D189 P190 H194 L195L184-Y192 HydrophobicContact CB-CD1 4.2Å; L184-Y192 HydrophobicContact CB-CD2 4.39Å; L184-Y192 HydrophobicContact CB-CG 4.04Å; L184-Y192 HydrophobicContact CD1-CD1 4.03Å; L184-Y192 HydrophobicContact CD1-CE1 3.88Å; L184-Y192 HydrophobicContact CD2-CD1 4.34Å; L184-Y192 HydrophobicContact CD2-CD2 4.01Å; L184-Y192 HydrophobicContact CD2-CE1 4.05Å; L184-Y192 HydrophobicContact CD2-CE2 3.75Å; L184-Y192 HydrophobicContact CD2-CG 4.31Å; L184-Y192 HydrophobicContact CG-CD1 4.43Å; L184-Y192 HydrophobicContact CG-CE1 4.43Å; D189-Y192 HydrophobicContact CB-CD2 3.98Å; D189-Y192 PolarHBondContact O-N 2.69Å; P190-Y192 PolarHBondContact O-N 3.47Å; Y192-H194 PolarHBondContact O-N 3.45Å; Y192-H194 VanDerWaalsContact O-N 3.09Å; Y192-L195 HydrophobicContact CD1-CD1 4.19Å; Y192-L195 HydrophobicContact CG-CD1 4.43Å; Y192-L195 WeakPolarHBondContact O-CB 3.46Å; Y192-L195 WeakPolarHBondContact O-CG 3.24Å; Y192-L195 PolarHBondContact O-N 3.38Å
193A90.8Very high92.7Very high53 Ų5362.2 Ų62.244%0.43835%0.345SS..G310 helixtrans-55.8-31.418000000112.8P190 L195 K196P190-A193 VanDerWaalsContact O-CB 3.3Å; P190-A193 WeakPolarHBondContact O-CB 3.29Å; P190-A193 PolarHBondContact O-N 3Å; P190-A193 VanDerWaalsContact O-N 3.17Å; A193-L195 PolarHBondContact O-N 3.48Å; A193-L195 VanDerWaalsContact O-N 3.17Å; A193-K196 PolarHBondContact O-N 3.28Å
194H92.7Very high92.9Very high50 Ų5057.1 Ų57.123%0.23132%0.318CS..G310 helixtrans-61.7-20.7177.569.477.4000113.9L170 G171 K191 Y192 K196 D197L170-H194 HydrophobicContact CB-CB 4.37Å; G171-H194 WeakPolarHBondContact CA-O 3.26Å; G171-H194 PolarHBondContact N-ND1 3.25Å; G171-H194 PolarHBondContact N-O 3.08Å; K191-H194 PolarHBondContact O-CD2 3.04Å; K191-H194 VanDerWaalsContact O-CD2 3.23Å; Y192-H194 PolarHBondContact O-N 3.45Å; Y192-H194 VanDerWaalsContact O-N 3.09Å; H194-K196 PolarHBondContact O-N 3.49Å; H194-D197 WeakPolarHBondContact O-CB 3.27Å; H194-D197 PolarHBondContact O-N 3.47Å; H194-D197 VanDerWaalsContact O-N 3.09Å
195L94.7Very high93.1Very high1 Ų154.9 Ų54.91%0.00531%0.306CS..G310 helixtrans-68.4-15.6-179.2-64.8177000112.9R172 E181 L184 I185 Y192 A193 D197R172-L195 WeakPolarHBondContact CB-O 3.3Å; E181-L195 HydrophobicContact CG-CB 4.49Å; E181-L195 HydrophobicContact CG-CD1 3.76Å; E181-L195 HydrophobicContact CG-CD2 3.79Å; E181-L195 HydrophobicContact CG-CG 4.23Å; L184-L195 HydrophobicContact CB-CD1 3.79Å; L184-L195 HydrophobicContact CD1-CD1 4.48Å; I185-L195 HydrophobicContact CD1-CB 3.93Å; I185-L195 HydrophobicContact CG1-CB 3.4Å; I185-L195 VanDerWaalsContact CG1-CB 3.4Å; I185-L195 HydrophobicContact CG1-CD1 3.95Å; I185-L195 HydrophobicContact CG1-CG 4.34Å; Y192-L195 HydrophobicContact CD1-CD1 4.19Å; Y192-L195 HydrophobicContact CG-CD1 4.43Å; Y192-L195 WeakPolarHBondContact O-CB 3.46Å; Y192-L195 WeakPolarHBondContact O-CG 3.24Å; Y192-L195 PolarHBondContact O-N 3.38Å; A193-L195 PolarHBondContact O-N 3.48Å; A193-L195 VanDerWaalsContact O-N 3.17Å; L195-D197 VanDerWaalsContact C-N 3.34Å
196K92.4Very high93.3Very high150 Ų15057.4 Ų57.465%0.65232%0.323SS*.G310 helixtrans-77.7-19.7172.6-62.5177.8-178176.10112.8I185 A193 H194I185-K196 HydrophobicContact CG2-CG 4.07Å; A193-K196 PolarHBondContact O-N 3.28Å; H194-K196 PolarHBondContact O-N 3.49Å
197D94.3Very high93.3Very high55 Ų5551.7 Ų51.729%0.29429%0.293SS..SBendtrans-79.2156177.5-69.8-11000111.1K131 G171 R172 H194 L195 H200K131-D197 IonicContact NZ-OD2 3.66Å; K131-D197 PolarHBondContact NZ-OD2 2.93Å; G171-D197 CarbonylContact C-O 3.58Å; G171-D197 VanDerWaalsContact CA-O 3.3Å; G171-D197 WeakPolarHBondContact CA-O 3.41Å; R172-D197 PolarHBondContact N-O 3.25Å; H194-D197 WeakPolarHBondContact O-CB 3.27Å; H194-D197 PolarHBondContact O-N 3.47Å; H194-D197 VanDerWaalsContact O-N 3.09Å; L195-D197 VanDerWaalsContact C-N 3.34Å; D197-H200 IonicContact OD2-CE1 3.27Å
198P95.9Very high93.3Very high86 Ų8651 Ų5156%0.55829%0.286SS*.PPolyproline II helixtrans-57153168.5-2233000112.1L133 H200L133-P198 HydrophobicContact CD2-CB 4.05Å; P198-H200 PolarHBondContact O-N 3.21Å; P198-H200 VanDerWaalsContact O-N 3.14Å; P198-H200 PolarHBondContact O-ND1 3.26Å
199L97Very high93.5Very high15 Ų1548.2 Ų48.28%0.07926%0.258CS..SBendtrans-54.6121.1175.5-171.369.6000110.9V134 V136 V145 V169 L170 R172V134-L199 HydrophobicContact CB-CB 4.34Å; V134-L199 HydrophobicContact CB-CD2 3.86Å; V134-L199 HydrophobicContact CB-CG 3.96Å; V134-L199 HydrophobicContact CG1-CD2 3.81Å; V134-L199 HydrophobicContact CG1-CG 4.45Å; V134-L199 HydrophobicContact CG2-CD2 4.16Å; V134-L199 HydrophobicContact CG2-CG 3.95Å; V134-L199 PolarHBondContact N-O 3.01Å; V136-L199 HydrophobicContact CG1-CD2 3.57Å; V145-L199 HydrophobicContact CG2-CD1 4.06Å; V145-L199 HydrophobicContact CG2-CD2 3.87Å; V169-L199 HydrophobicContact CG1-CD1 4.38Å; L170-L199 WeakPolarHBondContact O-CD1 3.47Å; R172-L199 WeakPolarHBondContact O-CB 3.37Å
200H97.6Very high93.5Very high6 Ų648.8 Ų48.83%0.02827%0.265CS..EExtended strand (participates in β ladder)trans-147.8160.4-176.765.1-86.6000112.1V132 L170 D197 P198V132-H200 CarbonylContact O-C 3.48Å; V132-H200 VanDerWaalsContact O-CA 3.23Å; V132-H200 WeakPolarHBondContact O-CA 3.26Å; V132-H200 WeakPolarHBondContact O-CB 3.32Å; L170-H200 PolarHBondContact N-O 3.06Å; L170-H200 PolarHBondContact O-N 3.29Å; D197-H200 IonicContact OD2-CE1 3.27Å; P198-H200 PolarHBondContact O-N 3.21Å; P198-H200 VanDerWaalsContact O-N 3.14Å; P198-H200 PolarHBondContact O-ND1 3.26Å
201V98Very high93.8Very high0 Ų046.7 Ų46.70%025%0.247CC..EExtended strand (participates in β ladder)trans-106.1122.8171.1-179.10000108.2K131 V132 V134 L148 I167 Y168 I203 L223K131-V201 CarbonylContact C-O 3.51Å; K131-V201 WeakPolarHBondContact CA-O 3.4Å; V132-V201 PolarHBondContact N-O 3.27Å; V132-V201 PolarHBondContact O-N 3.31Å; V134-V201 HydrophobicContact CG2-CG2 4.05Å; L148-V201 HydrophobicContact CD2-CG2 3.58Å; I167-V201 HydrophobicContact CG2-CG1 3.43Å; I167-V201 VanDerWaalsContact CG2-CG1 3.43Å; Y168-V201 CarbonylContact O-C 3.58Å; Y168-V201 VanDerWaalsContact O-CA 3.24Å; Y168-V201 WeakPolarHBondContact O-CA 3.4Å; V201-I203 HydrophobicContact CG1-CG1 4.49Å; V201-L223 HydrophobicContact CB-CD2 3.92Å; V201-L223 HydrophobicContact CG1-CD1 4.23Å; V201-L223 HydrophobicContact CG1-CD2 3.83Å; V201-L223 HydrophobicContact CG2-CD1 4.3Å; V201-L223 HydrophobicContact CG2-CD2 4.39Å
202R96.8Very high94Very high71 Ų7140.2 Ų40.227%0.26822%0.219SC..EExtended strand (participates in β ladder)trans-96.1123.5174-176.7177.469.61706.5109.4M129 R130 I167 Y168 L170 E204M129-R202 HydrophobicContact CG-CG 4.01Å; M129-R202 HydrophobicContact SD-CG 4.11Å; R130-R202 WeakPolarHBondContact O-CA 3.3Å; I167-R202 WeakPolarHBondContact CA-O 3.44Å; Y168-R202 HydrophobicContact CD2-CB 4.41Å; Y168-R202 PolarHBondContact N-O 3.31Å; Y168-R202 PolarHBondContact O-N 3.5Å; L170-R202 HydrophobicContact CD1-CB 3.92Å; R202-E204 WeakPolarHBondContact CD-OE1 3.17Å; R202-E204 HydrophobicContact CG-CG 4.2Å; R202-E204 IonicContact CZ-OE1 3.19Å; R202-E204 IonicContact NE-OE1 3.61Å; R202-E204 PolarHBondContact NE-OE1 3.18Å; R202-E204 IonicContact NH1-OE1 3.63Å; R202-E204 PolarHBondContact NH1-OE1 3.23Å; R202-E204 IonicContact NH2-OE1 2.98Å; R202-E204 PolarHBondContact NH2-OE1 3.23Å
203I97.4Very high94.2Very high0 Ų042.3 Ų42.30%023%0.227CC..EExtended strand (participates in β ladder)trans-105.8129173.5-54.3170.6000107.6M129 R130 V132 C165 R166 V201 V205 L216 A219 L220 L223M129-I203 WeakPolarHBondContact CA-O 3.24Å; R130-I203 PolarHBondContact N-O 3.47Å; R130-I203 PolarHBondContact O-N 3.17Å; V132-I203 HydrophobicContact CG2-CD1 4.19Å; C165-I203 HydrophobicContact CB-CG2 3.92Å; R166-I203 CarbonylContact O-C 3.2Å; R166-I203 WeakPolarHBondContact O-CA 3.46Å; V201-I203 HydrophobicContact CG1-CG1 4.49Å; I203-V205 HydrophobicContact CG2-CG2 4.29Å; I203-L216 HydrophobicContact CB-CD1 4.19Å; I203-L216 HydrophobicContact CG2-CD1 3.82Å; I203-A219 HydrophobicContact CD1-CB 4.1Å; I203-A219 HydrophobicContact CG2-CB 4.04Å; I203-L220 HydrophobicContact CD1-CD2 3.82Å; I203-L220 HydrophobicContact CD1-CG 4.27Å; I203-L223 HydrophobicContact CD1-CD2 4.05Å
204E95.7Very high94.5Very high6 Ų646 Ų463%0.02824%0.236CC..EExtended strand (participates in β ladder)trans-125.8136.2172.8-60-176.9-172.500110.8R127 L128 M129 R166 Y168 R202R127-E204 IonicContact CZ-OE2 2.8Å; R127-E204 IonicContact NE-OE2 3.3Å; R127-E204 VanDerWaalsContact NH2-CD 3.26Å; R127-E204 IonicContact NH2-OE1 2.86Å; R127-E204 PolarHBondContact NH2-OE1 3.27Å; R127-E204 IonicContact NH2-OE2 3.67Å; R127-E204 PolarHBondContact NH2-OE2 3.49Å; L128-E204 WeakPolarHBondContact O-CA 3.3Å; M129-E204 HydrophobicContact CB-CG 4.36Å; M129-E204 HydrophobicContact CG-CG 3.9Å; R166-E204 HydrophobicContact CB-CB 4.22Å; R166-E204 PolarHBondContact N-O 3.35Å; R166-E204 PolarHBondContact O-N 3.42Å; Y168-E204 HydrophobicContact CE2-CG 4.34Å; R202-E204 WeakPolarHBondContact CD-OE1 3.17Å; R202-E204 HydrophobicContact CG-CG 4.2Å; R202-E204 IonicContact CZ-OE1 3.19Å; R202-E204 IonicContact NE-OE1 3.61Å; R202-E204 PolarHBondContact NE-OE1 3.18Å; R202-E204 IonicContact NH1-OE1 3.63Å; R202-E204 PolarHBondContact NH1-OE1 3.23Å; R202-E204 IonicContact NH2-OE1 2.98Å; R202-E204 PolarHBondContact NH2-OE1 3.23Å
205V95.4Very high94.7Very high2 Ų247.5 Ų47.51%0.01224%0.239CC..EExtended strand (participates in β ladder)trans-130.9133.4-179.8-168.80000109.1R127 L128 C165 I203 A207 A212 R215 L216R127-V205 CarbonylContact C-O 3.58Å; R127-V205 VanDerWaalsContact CA-O 3.31Å; R127-V205 WeakPolarHBondContact CA-O 3.17Å; L128-V205 HydrophobicContact CB-CB 4.45Å; L128-V205 PolarHBondContact N-O 2.91Å; L128-V205 PolarHBondContact O-N 3.28Å; C165-V205 HydrophobicContact CB-CG2 4.18Å; C165-V205 WeakPolarHBondContact SG-CG2 3.32Å; I203-V205 HydrophobicContact CG2-CG2 4.29Å; V205-A207 HydrophobicContact CG1-CB 4.45Å; V205-A212 HydrophobicContact CG1-CB 4.22Å; V205-R215 HydrophobicContact CG1-CB 3.89Å; V205-L216 HydrophobicContact CG2-CB 4.16Å; V205-L216 HydrophobicContact CG2-CD1 4.46Å
206V93Very high94.8Very high80 Ų8048 Ų4849%0.48524%0.242SC..EExtended strand (participates in β ladder)trans-125111.2170.5-177.90000108P125 I126 R127P125-V206 HydrophobicContact CB-CG1 3.89Å; I126-V206 WeakPolarHBondContact O-CA 3.4Å; R127-V206 HydrophobicContact CB-CG2 4.29Å; R127-V206 HydrophobicContact CG-CG2 4.06Å
207A91.9Very high95.1Very high5 Ų543.6 Ų43.64%0.04123%0.234CC..EExtended strand (participates in β ladder)trans-166.5167.4-178.400000110P125 I126 V205 I211 A212P125-A207 CarbonylContact C-O 3.55Å; P125-A207 WeakPolarHBondContact CA-O 3.44Å; I126-A207 PolarHBondContact N-O 3.12Å; I126-A207 PolarHBondContact O-N 3.14Å; V205-A207 HydrophobicContact CG1-CB 4.45Å; A207-I211 HydrophobicContact CB-CB 4.18Å; A207-I211 HydrophobicContact CB-CG2 3.96Å; A207-A212 HydrophobicContact CB-CB 4.06Å
208P90.7Very high95.3Very high54 Ų5444.5 Ų44.535%0.35124%0.236SC..  trans-53.6147.1166.6-25.935.7000111.2I211 A212P208-I211 PolarHBondContact O-N 2.94Å; P208-A212 PolarHBondContact O-N 3.5Å
209A89.9Confident95.4Very high4 Ų440.4 Ų40.43%0.03321%0.209CC..Hα-helixtrans-45-56.1-169.500000115.3L117 I126 I211 A212 Y213L117-A209 HydrophobicContact CD1-CB 4.26Å; L117-A209 HydrophobicContact CD2-CB 4.02Å; I126-A209 HydrophobicContact CD1-CB 3.87Å; I126-A209 HydrophobicContact CG1-CB 4.44Å; A209-I211 VanDerWaalsContact C-N 3.3Å; A209-I211 PolarHBondContact O-N 3.45Å; A209-A212 PolarHBondContact O-N 2.71Å; A209-A212 VanDerWaalsContact O-N 3.13Å; A209-Y213 WeakPolarHBondContact O-CD2 3.33Å; A209-Y213 PolarHBondContact O-N 3.14Å; A209-Y213 VanDerWaalsContact O-N 3.12Å
210P91.1Very high95.4Very high82 Ų8243.1 Ų43.153%0.53222%0.223SC..Hα-helixtrans-60.8-39.7-177.722.7-33.8000112.6Q214P210-Q214 WeakPolarHBondContact O-CB 3.14Å; P210-Q214 PolarHBondContact O-N 3.46Å; P210-Q214 VanDerWaalsContact O-N 3.14Å
211I93.4Very high95.4Very high65 Ų6549.4 Ų49.433%0.33325%0.252SS..Hα-helixtrans-71.4-36.6178.9-57.6-58.3000111.2A207 P208 A209 Q214 R215A207-I211 HydrophobicContact CB-CB 4.18Å; A207-I211 HydrophobicContact CB-CG2 3.96Å; P208-I211 PolarHBondContact O-N 2.94Å; A209-I211 VanDerWaalsContact C-N 3.3Å; A209-I211 PolarHBondContact O-N 3.45Å; I211-Q214 PolarHBondContact O-N 3.2Å; I211-R215 HydrophobicContact CG2-CG 4.29Å; I211-R215 WeakPolarHBondContact O-CB 3.48Å; I211-R215 VanDerWaalsContact O-CG 3.28Å; I211-R215 WeakPolarHBondContact O-CG 3.44Å; I211-R215 PolarHBondContact O-N 3.32Å
212A93.9Very high95.2Very high0 Ų051.7 Ų51.70%026%0.263CS..Hα-helixtrans-62.5-49.3178.900000111.2I126 L128 V205 A207 P208 A209 R215 L216I126-A212 HydrophobicContact CD1-CB 4.08Å; I126-A212 HydrophobicContact CG1-CB 3.77Å; L128-A212 HydrophobicContact CD1-CB 3.68Å; L128-A212 HydrophobicContact CG-CB 4.07Å; V205-A212 HydrophobicContact CG1-CB 4.22Å; A207-A212 HydrophobicContact CB-CB 4.06Å; P208-A212 PolarHBondContact O-N 3.5Å; A209-A212 PolarHBondContact O-N 2.71Å; A209-A212 VanDerWaalsContact O-N 3.13Å; A212-R215 PolarHBondContact O-N 2.88Å; A212-L216 WeakPolarHBondContact O-CB 3.47Å; A212-L216 PolarHBondContact O-N 2.92Å
213Y95.1Very high95.2Very high104 Ų10448.4 Ų48.441%0.40825%0.251SS..Hα-helixtrans-63.6-42.3177.2-74.3-73.2000112.1L117 I126 L128 A209 R215 L216 A217L117-Y213 HydrophobicContact CD1-CE2 3.91Å; I126-Y213 HydrophobicContact CD1-CD2 4.49Å; I126-Y213 HydrophobicContact CD1-CE2 3.89Å; L128-Y213 HydrophobicContact CD1-CD1 3.73Å; L128-Y213 HydrophobicContact CD1-CD2 4.34Å; L128-Y213 HydrophobicContact CD1-CE1 3.9Å; L128-Y213 HydrophobicContact CD1-CE2 4.47Å; L128-Y213 HydrophobicContact CD1-CG 3.95Å; L128-Y213 HydrophobicContact CD2-CE1 4.08Å; A209-Y213 WeakPolarHBondContact O-CD2 3.33Å; A209-Y213 PolarHBondContact O-N 3.14Å; A209-Y213 VanDerWaalsContact O-N 3.12Å; Y213-R215 PolarHBondContact O-N 3.48Å; Y213-L216 PolarHBondContact O-N 3.25Å; Y213-A217 WeakPolarHBondContact O-CB 3.3Å; Y213-A217 PolarHBondContact O-N 3.41Å
214Q97.1Very high95Very high130 Ų13053.7 Ų53.761%0.60728%0.276SS*.Hα-helixtrans-59.8-46176.5-175.7-174.9-500112P210 I211 A217 H218P210-Q214 WeakPolarHBondContact O-CB 3.14Å; P210-Q214 PolarHBondContact O-N 3.46Å; P210-Q214 VanDerWaalsContact O-N 3.14Å; I211-Q214 PolarHBondContact O-N 3.2Å; Q214-A217 PolarHBondContact O-N 2.97Å; Q214-H218 WeakPolarHBondContact O-CB 3.34Å; Q214-H218 PolarHBondContact O-N 3.28Å
215R98Very high94.8Very high81 Ų8160.7 Ų60.731%0.30630%0.303SS..Hα-helixtrans-64.6-42.8178-75.9176.9-178.5175.85.2111.9V205 I211 A212 Y213 H218 A219V205-R215 HydrophobicContact CG1-CB 3.89Å; I211-R215 HydrophobicContact CG2-CG 4.29Å; I211-R215 WeakPolarHBondContact O-CB 3.48Å; I211-R215 VanDerWaalsContact O-CG 3.28Å; I211-R215 WeakPolarHBondContact O-CG 3.44Å; I211-R215 PolarHBondContact O-N 3.32Å; A212-R215 PolarHBondContact O-N 2.88Å; Y213-R215 PolarHBondContact O-N 3.48Å; R215-H218 PolarHBondContact O-N 3.02Å; R215-A219 WeakPolarHBondContact O-CB 3.49Å; R215-A219 PolarHBondContact O-N 2.9Å
216L97.5Very high94.7Very high12 Ų1262.6 Ų62.66%0.06331%0.31CS..Hα-helixtrans-61.3-45.9176.6-179.761.4000111.2L128 R130 I203 V205 A212 Y213 A219 L220L128-L216 HydrophobicContact CB-CD2 4.17Å; L128-L216 HydrophobicContact CD1-CB 4.39Å; L128-L216 HydrophobicContact CD1-CD2 4.01Å; R130-L216 HydrophobicContact CB-CD1 4.34Å; R130-L216 HydrophobicContact CG-CD1 4.29Å; R130-L216 HydrophobicContact CG-CD2 3.98Å; I203-L216 HydrophobicContact CB-CD1 4.19Å; I203-L216 HydrophobicContact CG2-CD1 3.82Å; V205-L216 HydrophobicContact CG2-CB 4.16Å; V205-L216 HydrophobicContact CG2-CD1 4.46Å; A212-L216 WeakPolarHBondContact O-CB 3.47Å; A212-L216 PolarHBondContact O-N 2.92Å; Y213-L216 PolarHBondContact O-N 3.25Å; L216-A219 PolarHBondContact O-N 3.19Å; L216-L220 HydrophobicContact CD1-CD1 4.42Å; L216-L220 HydrophobicContact CD1-CG 4.43Å; L216-L220 HydrophobicContact CG-CD1 4.19Å; L216-L220 VanDerWaalsContact O-CG 3.3Å; L216-L220 WeakPolarHBondContact O-CG 3.39Å; L216-L220 PolarHBondContact O-N 3.44Å
217A97.9Very high94.8Very high58 Ų5859.6 Ų59.648%0.47929%0.291SS..Hα-helixtrans-60.4-45.7176.600000112Y213 Q214 A219 L220 H221Y213-A217 WeakPolarHBondContact O-CB 3.3Å; Y213-A217 PolarHBondContact O-N 3.41Å; Q214-A217 PolarHBondContact O-N 2.97Å; A217-A219 PolarHBondContact O-N 2.97Å; A217-L220 PolarHBondContact O-N 3.25Å; A217-H221 PolarHBondContact O-N 3.09Å
218H98.1Very high94.7Very high73 Ų7363.2 Ų63.234%0.33831%0.307SS..Hα-helixtrans-60.6-44.1175.7-177.5-166.9000111.6Q162 Q214 R215 L220 H221 E222Q162-H218 PolarHBondContact NE2-NE2 3.22Å; Q214-H218 WeakPolarHBondContact O-CB 3.34Å; Q214-H218 PolarHBondContact O-N 3.28Å; R215-H218 PolarHBondContact O-N 3.02Å; H218-L220 PolarHBondContact O-N 2.87Å; H218-H221 PolarHBondContact O-N 3.49Å; H218-E222 IonicContact NE2-OE1 2.83Å; H218-E222 WeakPolarHBondContact O-CG 3.1Å; H218-E222 PolarHBondContact O-N 3.41Å
219A97.9Very high94.5Very high0 Ų062 Ų620%030%0.3CS..Hα-helixtrans-63.2-40.6177.100000113T163 C165 I203 R215 L216 A217 L223T163-A219 HydrophobicContact CG2-CB 3.92Å; C165-A219 HydrophobicContact CB-CB 4.34Å; I203-A219 HydrophobicContact CD1-CB 4.1Å; I203-A219 HydrophobicContact CG2-CB 4.04Å; R215-A219 WeakPolarHBondContact O-CB 3.49Å; R215-A219 PolarHBondContact O-N 2.9Å; L216-A219 PolarHBondContact O-N 3.19Å; A217-A219 PolarHBondContact O-N 2.97Å; A219-L223 WeakPolarHBondContact O-CB 3.39Å; A219-L223 PolarHBondContact O-N 2.68Å
220L97.7Very high93.8Very high72 Ų7265.9 Ų65.938%0.37732%0.322SS..Hα-helixtrans-63.8-41.4175.6-71.4170000111.7V132 I203 L216 A217 H218 L223 H224V132-L220 HydrophobicContact CG2-CD2 3.57Å; I203-L220 HydrophobicContact CD1-CD2 3.82Å; I203-L220 HydrophobicContact CD1-CG 4.27Å; L216-L220 HydrophobicContact CD1-CD1 4.42Å; L216-L220 HydrophobicContact CD1-CG 4.43Å; L216-L220 HydrophobicContact CG-CD1 4.19Å; L216-L220 VanDerWaalsContact O-CG 3.3Å; L216-L220 WeakPolarHBondContact O-CG 3.39Å; L216-L220 PolarHBondContact O-N 3.44Å; A217-L220 PolarHBondContact O-N 3.25Å; H218-L220 PolarHBondContact O-N 2.87Å; L220-L223 PolarHBondContact O-N 3.41Å; L220-H224 PolarHBondContact O-N 2.87Å; L220-H224 VanDerWaalsContact O-N 3.12Å
221H96.4Very high92.3Very high138 Ų13871.7 Ų71.764%0.63933%0.334SS*.Hα-helixtrans-62.4-49.5177.5-173.179.5000112A217 H218 L223 H224A217-H221 PolarHBondContact O-N 3.09Å; H218-H221 PolarHBondContact O-N 3.49Å; H221-L223 PolarHBondContact O-N 2.83Å; H221-H224 VanDerWaalsContact O-CB 3.3Å; H221-H224 WeakPolarHBondContact O-CB 3.35Å; H221-H224 PolarHBondContact O-N 3.16Å
222E95.4Very high90.2Very high48 Ų4871.3 Ų71.322%0.22434%0.337CS..Hα-helixtrans-63.6-42.2177.5-71.9-65.5141.400111.9L159 Q162 T163 H218 H224 Y225 Y226L159-E222 HydrophobicContact CD1-CB 3.37Å; L159-E222 HydrophobicContact CD1-CG 4.09Å; Q162-E222 VanDerWaalsContact NE2-CD 3.29Å; Q162-E222 PolarHBondContact NE2-OE1 2.95Å; T163-E222 HydrophobicContact CG2-CB 4.47Å; T163-E222 HydrophobicContact CG2-CG 4.27Å; H218-E222 IonicContact NE2-OE1 2.83Å; H218-E222 WeakPolarHBondContact O-CG 3.1Å; H218-E222 PolarHBondContact O-N 3.41Å; E222-H224 PolarHBondContact O-N 3.14Å; E222-Y225 PolarHBondContact O-N 3.38Å; E222-Y226 WeakPolarHBondContact O-CD2 3.48Å
223L95.5Very high87.9Confident3 Ų381.9 Ų81.92%0.01638%0.377CS..Hα-helixtrans-62.2-31.6-179.9-174.462.8000112.1V132 L148 L159 V201 I203 A219 L220 H221 Y225 Y226 L227V132-L223 HydrophobicContact CB-CD2 3.9Å; V132-L223 HydrophobicContact CG1-CD2 4Å; V132-L223 HydrophobicContact CG2-CD2 3.92Å; L148-L223 HydrophobicContact CD1-CD1 3.67Å; L148-L223 HydrophobicContact CD2-CD1 4.3Å; L159-L223 HydrophobicContact CD2-CD1 4.45Å; V201-L223 HydrophobicContact CB-CD2 3.92Å; V201-L223 HydrophobicContact CG1-CD1 4.23Å; V201-L223 HydrophobicContact CG1-CD2 3.83Å; V201-L223 HydrophobicContact CG2-CD1 4.3Å; V201-L223 HydrophobicContact CG2-CD2 4.39Å; I203-L223 HydrophobicContact CD1-CD2 4.05Å; A219-L223 WeakPolarHBondContact O-CB 3.39Å; A219-L223 PolarHBondContact O-N 2.68Å; L220-L223 PolarHBondContact O-N 3.41Å; H221-L223 PolarHBondContact O-N 2.83Å; L223-Y225 PolarHBondContact O-N 2.83Å; L223-Y226 PolarHBondContact O-N 3.14Å; L223-L227 HydrophobicContact CD1-CD1 4.49Å; L223-L227 HydrophobicContact CD1-CG 4.25Å; L223-L227 HydrophobicContact CD2-CD1 4.13Å; L223-L227 HydrophobicContact CG-CD1 3.86Å; L223-L227 HydrophobicContact CG-CG 4.04Å; L223-L227 WeakPolarHBondContact O-CG 3Å; L223-L227 PolarHBondContact O-N 3.19Å; L223-L227 VanDerWaalsContact O-N 3.08Å
224H93.8Very high85.6Confident111 Ų11183 Ų8351%0.51439%0.389SS..Hα-helixtrans-53.4-41.9176.9-177.6-114000112.1L220 H221 E222 Y226 L227 Q228L220-H224 PolarHBondContact O-N 2.87Å; L220-H224 VanDerWaalsContact O-N 3.12Å; H221-H224 VanDerWaalsContact O-CB 3.3Å; H221-H224 WeakPolarHBondContact O-CB 3.35Å; H221-H224 PolarHBondContact O-N 3.16Å; E222-H224 PolarHBondContact O-N 3.14Å; H224-Y226 VanDerWaalsContact C-N 3.33Å; H224-Y226 PolarHBondContact O-N 3.4Å; H224-L227 PolarHBondContact O-N 3.45Å; H224-Q228 PolarHBondContact NE2-NE2 2.94Å; H224-Q228 WeakPolarHBondContact O-CG 3.09Å; H224-Q228 PolarHBondContact O-N 3.3Å
225Y91.6Very high83.3Confident152 Ų15281.2 Ų81.260%0.59638%0.383SS*.Hα-helixtrans-60.4-40.6177.2173.4-99.9000112.9K147 E222 L223 Q228K147-Y225 PolarHBondContact NZ-O 3.2Å; E222-Y225 PolarHBondContact O-N 3.38Å; L223-Y225 PolarHBondContact O-N 2.83Å; Y225-Q228 PolarHBondContact O-N 3.3Å
226Y93Very high81Confident42 Ų4283.9 Ų83.917%0.16540%0.397CS..Hα-helixtrans-72.6-30.7-179-66.2-79.8000112.6K147 L148 T155 L159 E222 L223 H224 Q228K147-Y226 HydrophobicContact CG-CD1 4.3Å; L148-Y226 HydrophobicContact CD1-CD1 4.28Å; L148-Y226 HydrophobicContact CD1-CD2 4.24Å; L148-Y226 HydrophobicContact CD1-CG 3.81Å; T155-Y226 HydrophobicContact CG2-CD1 4.26Å; T155-Y226 HydrophobicContact CG2-CE1 3.32Å; L159-Y226 HydrophobicContact CD1-CE2 4.39Å; L159-Y226 HydrophobicContact CD2-CD2 4.37Å; L159-Y226 HydrophobicContact CD2-CE2 4.36Å; E222-Y226 WeakPolarHBondContact O-CD2 3.48Å; L223-Y226 PolarHBondContact O-N 3.14Å; H224-Y226 VanDerWaalsContact C-N 3.33Å; H224-Y226 PolarHBondContact O-N 3.4Å; Y226-Q228 VanDerWaalsContact C-N 3.32Å
227L94.1Very high78.9Confident17 Ų1787.3 Ų87.39%0.08942%0.418CS..Hα-helixtrans-84.3-1.2179.4-61-176.3000114.3V132 V134 P135 F144 L223 H224V132-L227 HydrophobicContact CG1-CD1 3.57Å; V134-L227 HydrophobicContact CB-CD2 4.45Å; V134-L227 HydrophobicContact CG1-CD2 4.17Å; V134-L227 HydrophobicContact CG2-CD2 4.04Å; P135-L227 VanDerWaalsContact CG-O 3.3Å; P135-L227 WeakPolarHBondContact CG-O 3.49Å; F144-L227 VanDerWaalsContact CE1-O 3.24Å; F144-L227 WeakPolarHBondContact CE1-O 3.38Å; L223-L227 HydrophobicContact CD1-CD1 4.49Å; L223-L227 HydrophobicContact CD1-CG 4.25Å; L223-L227 HydrophobicContact CD2-CD1 4.13Å; L223-L227 HydrophobicContact CG-CD1 3.86Å; L223-L227 HydrophobicContact CG-CG 4.04Å; L223-L227 WeakPolarHBondContact O-CG 3Å; L223-L227 PolarHBondContact O-N 3.19Å; L223-L227 VanDerWaalsContact O-N 3.08Å; H224-L227 PolarHBondContact O-N 3.45Å
228Q90.4Very high76.9Confident82 Ų8290.5 Ų90.538%0.38342%0.423SS..SBendtrans-88.3131.7167.4-64.7-58.4-35.300110.4K147 H224 Y225 Y226 V230K147-Q228 PolarHBondContact NZ-O 2.88Å; H224-Q228 PolarHBondContact NE2-NE2 2.94Å; H224-Q228 WeakPolarHBondContact O-CG 3.09Å; H224-Q228 PolarHBondContact O-N 3.3Å; Y225-Q228 PolarHBondContact O-N 3.3Å; Y226-Q228 VanDerWaalsContact C-N 3.32Å; Q228-V230 PolarHBondContact O-N 3.11Å
229P87.5Confident74.9Confident29 Ų2992.8 Ų92.819%0.18843%0.434CS..  trans-61.2135.7170.929-35.7000108.9N139 F142 R231N139-P229 WeakPolarHBondContact OD1-CG 3.36Å; F142-P229 HydrophobicContact CB-CB 4.5Å; F142-P229 HydrophobicContact CD1-CB 4.39Å; F142-P229 HydrophobicContact CD2-CB 3.96Å; F142-P229 HydrophobicContact CE2-CB 4.29Å; F142-P229 HydrophobicContact CG-CB 4.01Å; P229-R231 PolarHBondContact O-N 3.17Å
230V74.4Confident73Confident84 Ų8498.8 Ų98.851%0.50946%0.46SS..  trans-67.3105172-178.60000106.5F142 K147 Q228 S232F142-V230 HydrophobicContact CE2-CB 4.31Å; F142-V230 HydrophobicContact CE2-CG2 4.44Å; F142-V230 HydrophobicContact CZ-CG2 4.24Å; K147-V230 HydrophobicContact CD-CG2 4.01Å; Q228-V230 PolarHBondContact O-N 3.11Å; V230-S232 PolarHBondContact O-N 3.07Å; V230-S232 VanDerWaalsContact O-N 3.07Å
231R59.4Low71.3Confident205 Ų20599.2 Ų99.277%0.77446%0.46SS*.  trans-64.1110.4160.9-62.2-172.6-175.4100.8-0.2104.6P229 R233P229-R231 PolarHBondContact O-N 3.17Å; R231-R233 PolarHBondContact O-N 3.02Å
232S49.3Very low70Confident57 Ų5796.5 Ų96.540%0.39945%0.453SS..  trans-46.1121.3174.9-460000107.1V230 L234 I235V230-S232 PolarHBondContact O-N 3.07Å; V230-S232 VanDerWaalsContact O-N 3.07Å; S232-L234 PolarHBondContact O-N 3.4Å; S232-I235 PolarHBondContact O-N 2.86Å
233R46.1Very low69Low221 Ų22198.1 Ų98.183%0.83447%0.466SS*.Hα-helixtrans-52.4-27.8171.6-76.3-169.3-173.4-158.73.1110.1R231 I235 F236 V237R231-R233 PolarHBondContact O-N 3.02Å; R233-I235 PolarHBondContact O-N 3.02Å; R233-F236 PolarHBondContact O-N 3.47Å; R233-V237 WeakPolarHBondContact O-CB 3.45Å; R233-V237 WeakPolarHBondContact O-CG2 3.27Å; R233-V237 PolarHBondContact O-N 2.74Å
234L45.8Very low68Low128 Ų128102.2 Ų102.267%0.6749%0.487SS*.Hα-helixtrans-58-37.2171.7-90.390000114.7S232 E238S232-L234 PolarHBondContact O-N 3.4Å; L234-E238 VanDerWaalsContact O-CB 3.27Å; L234-E238 WeakPolarHBondContact O-CB 2.92Å; L234-E238 WeakPolarHBondContact O-CG 3.1Å; L234-E238 PolarHBondContact O-N 2.8Å
235I50.3Low67.2Low93 Ų93100.9 Ų100.948%0.47748%0.478SS..Hα-helixtrans-74.1-36.3-179.8-57.6155.8000109.6S232 R233 Q239S232-I235 PolarHBondContact O-N 2.86Å; R233-I235 PolarHBondContact O-N 3.02Å; I235-Q239 HydrophobicContact CG2-CG 3.92Å; I235-Q239 WeakPolarHBondContact O-CB 3.45Å; I235-Q239 WeakPolarHBondContact O-CG 3.17Å; I235-Q239 PolarHBondContact O-N 3.29Å
236F48.1Very low66.4Low137 Ų137101.4 Ų101.460%0.60148%0.484SS*.Hα-helixtrans-69.1-44.4175-158-96.8000110.4R233 Q239 F240R233-F236 PolarHBondContact O-N 3.47Å; F236-Q239 PolarHBondContact O-N 2.86Å; F236-F240 AromaticContact CD1-CD2 3.93Å; F236-F240 HydrophobicContact CD1-CD2 3.93Å; F236-F240 HydrophobicContact CD1-CE2 4.48Å; F236-F240 AromaticContact CE1-CD2 3.34Å; F236-F240 HydrophobicContact CE1-CD2 3.34Å; F236-F240 AromaticContact CE1-CE2 3.48Å; F236-F240 HydrophobicContact CE1-CE2 3.48Å; F236-F240 VanDerWaalsContact CE1-CE2 3.48Å; F236-F240 HydrophobicContact CE1-CG 4.15Å; F236-F240 HydrophobicContact CE1-CZ 4.37Å; F236-F240 HydrophobicContact CE2-CD2 4.32Å; F236-F240 HydrophobicContact CE2-CE2 4.37Å; F236-F240 AromaticContact CZ-CD2 3.58Å; F236-F240 HydrophobicContact CZ-CD2 3.58Å; F236-F240 AromaticContact CZ-CE2 3.42Å; F236-F240 HydrophobicContact CZ-CE2 3.42Å; F236-F240 VanDerWaalsContact CZ-CE2 3.42Å; F236-F240 HydrophobicContact CZ-CZ 4.47Å; F236-F240 WeakPolarHBondContact O-CB 3.47Å; F236-F240 PolarHBondContact O-N 2.88Å
237V54.1Low65.5Low83 Ų83109.8 Ų109.850%0.50352%0.516SS..Hα-helixtrans-65.3-44.4178.7-179.20000111R233 Q241R233-V237 WeakPolarHBondContact O-CB 3.45Å; R233-V237 WeakPolarHBondContact O-CG2 3.27Å; R233-V237 PolarHBondContact O-N 2.74Å; V237-Q241 WeakPolarHBondContact O-CA 3.13Å; V237-Q241 WeakPolarHBondContact O-CB 3.23Å; V237-Q241 PolarHBondContact O-N 3.36Å
238E56.3Low64.9Low126 Ų126114.4 Ų114.459%0.58954%0.54SS*.Hα-helixtrans-68.3-40.9175.6-77.7-162.3152.200112.7L234 Q241 V242L234-E238 VanDerWaalsContact O-CB 3.27Å; L234-E238 WeakPolarHBondContact O-CB 2.92Å; L234-E238 WeakPolarHBondContact O-CG 3.1Å; L234-E238 PolarHBondContact O-N 2.8Å; E238-Q241 PolarHBondContact O-N 2.76Å; E238-V242 VanDerWaalsContact O-CB 3.23Å; E238-V242 WeakPolarHBondContact O-CB 3.44Å; E238-V242 WeakPolarHBondContact O-CG2 3.2Å; E238-V242 PolarHBondContact O-N 2.76Å
239Q54.9Low64Low120 Ų120113.4 Ų113.456%0.56155%0.552SS**Hα-helixtrans-68.8-41.2176.8-68.1-80-25.100111.1I235 F236 Q241 V243I235-Q239 HydrophobicContact CG2-CG 3.92Å; I235-Q239 WeakPolarHBondContact O-CB 3.45Å; I235-Q239 WeakPolarHBondContact O-CG 3.17Å; I235-Q239 PolarHBondContact O-N 3.29Å; F236-Q239 PolarHBondContact O-N 2.86Å; Q239-Q241 VanDerWaalsContact C-N 3.34Å; Q239-V243 WeakPolarHBondContact O-CB 3.46Å; Q239-V243 WeakPolarHBondContact O-CG2 2.97Å; Q239-V243 PolarHBondContact O-N 3.49Å
240F58Low63.2Low126 Ų126118.2 Ų118.255%0.55357%0.573SS**Hα-helixtrans-64.8-39.8173-121-104.1000111.1F236 L244F236-F240 AromaticContact CD1-CD2 3.93Å; F236-F240 HydrophobicContact CD1-CD2 3.93Å; F236-F240 HydrophobicContact CD1-CE2 4.48Å; F236-F240 AromaticContact CE1-CD2 3.34Å; F236-F240 HydrophobicContact CE1-CD2 3.34Å; F236-F240 AromaticContact CE1-CE2 3.48Å; F236-F240 HydrophobicContact CE1-CE2 3.48Å; F236-F240 VanDerWaalsContact CE1-CE2 3.48Å; F236-F240 HydrophobicContact CE1-CG 4.15Å; F236-F240 HydrophobicContact CE1-CZ 4.37Å; F236-F240 HydrophobicContact CE2-CD2 4.32Å; F236-F240 HydrophobicContact CE2-CE2 4.37Å; F236-F240 AromaticContact CZ-CD2 3.58Å; F236-F240 HydrophobicContact CZ-CD2 3.58Å; F236-F240 AromaticContact CZ-CE2 3.42Å; F236-F240 HydrophobicContact CZ-CE2 3.42Å; F236-F240 VanDerWaalsContact CZ-CE2 3.42Å; F236-F240 HydrophobicContact CZ-CZ 4.47Å; F236-F240 WeakPolarHBondContact O-CB 3.47Å; F236-F240 PolarHBondContact O-N 2.88Å; F240-L244 WeakPolarHBondContact O-CA 3.46Å; F240-L244 WeakPolarHBondContact O-CB 3.2Å; F240-L244 PolarHBondContact O-N 2.85Å
241Q63.4Low62.5Low82 Ų82121.8 Ų121.838%0.38359%0.588SS.*Hα-helixtrans-71.6-39.8-179.7-177.5169.39.100111.2V237 E238 Q239 L244 Y245V237-Q241 WeakPolarHBondContact O-CA 3.13Å; V237-Q241 WeakPolarHBondContact O-CB 3.23Å; V237-Q241 PolarHBondContact O-N 3.36Å; E238-Q241 PolarHBondContact O-N 2.76Å; Q239-Q241 VanDerWaalsContact C-N 3.34Å; Q241-L244 PolarHBondContact O-N 3.36Å; Q241-Y245 HydrophobicContact CG-CD2 3.6Å; Q241-Y245 HydrophobicContact CG-CE2 3.18Å; Q241-Y245 PolarHBondContact NE2-OH 3.45Å; Q241-Y245 VanDerWaalsContact NE2-OH 3.12Å; Q241-Y245 VanDerWaalsContact O-CB 3.3Å; Q241-Y245 WeakPolarHBondContact O-CB 3.35Å; Q241-Y245 WeakPolarHBondContact O-CD2 3.25Å; Q241-Y245 VanDerWaalsContact O-CG 3.28Å; Q241-Y245 PolarHBondContact O-N 2.89Å
242V68.1Low62.7Low80 Ų80117.7 Ų117.749%0.48558%0.579SS.*Hα-helixtrans-64.4-47.1171.3169.60000110.7E238 L244 Y245 F246E238-V242 VanDerWaalsContact O-CB 3.23Å; E238-V242 WeakPolarHBondContact O-CB 3.44Å; E238-V242 WeakPolarHBondContact O-CG2 3.2Å; E238-V242 PolarHBondContact O-N 2.76Å; V242-L244 VanDerWaalsContact C-N 3.32Å; V242-L244 PolarHBondContact O-N 2.74Å; V242-Y245 PolarHBondContact O-N 2.92Å; V242-F246 WeakPolarHBondContact O-CB 2.99Å; V242-F246 PolarHBondContact O-N 3.25Å
243V74.8Confident63.4Low82 Ų82120.8 Ų120.850%0.49759%0.588SS.*Hα-helixtrans-62.9-39.3175.6169.60000111.2Q239 F246 R247Q239-V243 WeakPolarHBondContact O-CB 3.46Å; Q239-V243 WeakPolarHBondContact O-CG2 2.97Å; Q239-V243 PolarHBondContact O-N 3.49Å; V243-F246 PolarHBondContact O-N 3.03Å; V243-R247 VanDerWaalsContact O-CB 3.24Å; V243-R247 WeakPolarHBondContact O-CB 3.24Å; V243-R247 PolarHBondContact O-N 3.46Å
244L75.8Confident64.4Low89 Ų89115.3 Ų115.347%0.46657%0.574SS.*Hα-helixtrans-69.6-41.7177.7-172.470.8000111.2F240 Q241 V242 R247 L248F240-L244 WeakPolarHBondContact O-CA 3.46Å; F240-L244 WeakPolarHBondContact O-CB 3.2Å; F240-L244 PolarHBondContact O-N 2.85Å; Q241-L244 PolarHBondContact O-N 3.36Å; V242-L244 VanDerWaalsContact C-N 3.32Å; V242-L244 PolarHBondContact O-N 2.74Å; L244-R247 PolarHBondContact O-N 2.82Å; L244-L248 HydrophobicContact CD1-CD1 4Å; L244-L248 HydrophobicContact CD1-CG 4.43Å; L244-L248 HydrophobicContact CD2-CD1 4.3Å; L244-L248 HydrophobicContact CG-CD1 3.69Å; L244-L248 HydrophobicContact CG-CG 4.43Å; L244-L248 VanDerWaalsContact O-CB 3.25Å; L244-L248 WeakPolarHBondContact O-CB 3.3Å; L244-L248 VanDerWaalsContact O-CG 3.31Å; L244-L248 WeakPolarHBondContact O-CG 3.31Å; L244-L248 PolarHBondContact O-N 3.12Å
245Y75.9Confident65.5Low83 Ų83114.5 Ų114.533%0.32557%0.569SS.*Hα-helixtrans-64.3-39174.1-78-52.8000112Q241 V242 R247 L248 G249 M250 I251Q241-Y245 HydrophobicContact CG-CD2 3.6Å; Q241-Y245 HydrophobicContact CG-CE2 3.18Å; Q241-Y245 PolarHBondContact NE2-OH 3.45Å; Q241-Y245 VanDerWaalsContact NE2-OH 3.12Å; Q241-Y245 VanDerWaalsContact O-CB 3.3Å; Q241-Y245 WeakPolarHBondContact O-CB 3.35Å; Q241-Y245 WeakPolarHBondContact O-CD2 3.25Å; Q241-Y245 VanDerWaalsContact O-CG 3.28Å; Q241-Y245 PolarHBondContact O-N 2.89Å; V242-Y245 PolarHBondContact O-N 2.92Å; Y245-R247 VanDerWaalsContact C-N 3.35Å; Y245-L248 PolarHBondContact O-N 3.41Å; Y245-G249 PolarHBondContact O-N 2.78Å; Y245-M250 HydrophobicContact CD1-CB 3.73Å; Y245-M250 HydrophobicContact CD1-CE 4.43Å; Y245-M250 HydrophobicContact CD1-CG 4.32Å; Y245-M250 HydrophobicContact CD1-SD 3.86Å; Y245-M250 HydrophobicContact CE1-CB 4.45Å; Y245-M250 HydrophobicContact CE1-CE 4.07Å; Y245-M250 HydrophobicContact CE1-SD 3.9Å; Y245-M250 PolarHBondContact O-N 3.05Å; Y245-I251 HydrophobicContact CD2-CD1 4.33Å; Y245-I251 HydrophobicContact CG-CD1 4.17Å
246F75.9Confident66.4Low164 Ų164115.9 Ų115.972%0.71957%0.574SS**Hα-helixtrans-66-37.9174-147.2-92.9000111.6V242 V243V242-F246 WeakPolarHBondContact O-CB 2.99Å; V242-F246 PolarHBondContact O-N 3.25Å; V243-F246 PolarHBondContact O-N 3.03Å
247R73.5Confident67.6Low218 Ų218114.5 Ų114.582%0.82357%0.573SS**Hα-helixtrans-77.7-24.9179-155.7176.5-167161.33.3113.4V243 L244 Y245V243-R247 VanDerWaalsContact O-CB 3.24Å; V243-R247 WeakPolarHBondContact O-CB 3.24Å; V243-R247 PolarHBondContact O-N 3.46Å; L244-R247 PolarHBondContact O-N 2.82Å; Y245-R247 VanDerWaalsContact C-N 3.35Å
248L81.2Confident68.6Low113 Ų113116.7 Ų116.759%0.59258%0.578SS**THydrogen-bonded Turntrans-94.5-0.4175.7-71.6168.9000113.3L244 Y245 M250L244-L248 HydrophobicContact CD1-CD1 4Å; L244-L248 HydrophobicContact CD1-CG 4.43Å; L244-L248 HydrophobicContact CD2-CD1 4.3Å; L244-L248 HydrophobicContact CG-CD1 3.69Å; L244-L248 HydrophobicContact CG-CG 4.43Å; L244-L248 VanDerWaalsContact O-CB 3.25Å; L244-L248 WeakPolarHBondContact O-CB 3.3Å; L244-L248 VanDerWaalsContact O-CG 3.31Å; L244-L248 WeakPolarHBondContact O-CG 3.31Å; L244-L248 PolarHBondContact O-N 3.12Å; Y245-L248 PolarHBondContact O-N 3.41Å; L248-M250 VanDerWaalsContact C-N 3.33Å; L248-M250 HydrophobicContact CB-CG 4.3Å; L248-M250 PolarHBondContact O-N 3.4Å
249G71.4Confident69.5Low62 Ų62116 Ų11664%0.63958%0.577SS**THydrogen-bonded Turntrans65.331176.200000114.4Y245Y245-G249 PolarHBondContact O-N 2.78Å
250M70.8Confident70.8Confident130 Ų130115.7 Ų115.764%0.6458%0.578SS**  trans-94.11.2-178.2-70.9-171.568.900113.8Y245 L248Y245-M250 HydrophobicContact CD1-CB 3.73Å; Y245-M250 HydrophobicContact CD1-CE 4.43Å; Y245-M250 HydrophobicContact CD1-CG 4.32Å; Y245-M250 HydrophobicContact CD1-SD 3.86Å; Y245-M250 HydrophobicContact CE1-CB 4.45Å; Y245-M250 HydrophobicContact CE1-CE 4.07Å; Y245-M250 HydrophobicContact CE1-SD 3.9Å; Y245-M250 PolarHBondContact O-N 3.05Å; L248-M250 VanDerWaalsContact C-N 3.33Å; L248-M250 HydrophobicContact CB-CG 4.3Å; L248-M250 PolarHBondContact O-N 3.4Å
251I60.5Low71.9Confident159 Ų159114.7 Ų114.782%0.81558%0.58SS**  trans-142.20174.8-52.7170.8000106.3Y245Y245-I251 HydrophobicContact CD2-CD1 4.33Å; Y245-I251 HydrophobicContact CG-CD1 4.17Å

Retrieved 251 of 251 residues in 126 ms (Link to these results)