A0A096NR69_PAPAN Loading...

Decaprenyl diphosphate synthase subunit 2

AlphaFold DB , UniProt , Accession A0A096NR69, Species PAPAN (Papio anubis, Olive baboon), Gene PDSS2, Length 399 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
1M33.9Very low34.3Very low182 Ų182127.2 Ų127.290%0.89763%0.634SS**  0123.90-118156.4102.800107.7L6M1-L6 HydrophobicContact CE-CD1 4.26Å
2N26.1Very low34Very low108 Ų108135.7 Ų135.758%0.57865%0.654SS**  trans-77.9143.1-175.2-171.3-18.9000109.9R4 Q5N2-R4 PolarHBondContact O-N 3.44Å; N2-Q5 PolarHBondContact O-N 3.33Å
3L29.9Very low33.8Very low87 Ų87143.1 Ų143.146%0.45567%0.673SS.*Hα-helixtrans-48.7-28.3179.3-159.185.4000112.9L7 V102L3-L7 HydrophobicContact CD2-CD1 4.47Å; L3-L7 HydrophobicContact CG-CD1 4.32Å; L3-L7 WeakPolarHBondContact O-CG 3.37Å; L3-L7 PolarHBondContact O-N 3.26Å; L3-V102 HydrophobicContact CD1-CG1 4.38Å
4R32.8Very low33.5Very low190 Ų190145.8 Ų145.872%0.71769%0.693SS**Hα-helixtrans-62.3-36.2172.7-84.5-173.4170.6-160.8-1.8114.5N2 L8N2-R4 PolarHBondContact O-N 3.44Å; R4-L8 WeakPolarHBondContact O-CD1 3.3Å; R4-L8 WeakPolarHBondContact O-CG 3.41Å
5Q34.6Very low33Very low117 Ų117141.3 Ų141.355%0.54770%0.701SS.*Hα-helixtrans-77.5-33.1-177.2-80173.8-30.400112.5N2N2-Q5 PolarHBondContact O-N 3.33Å
6L43.4Very low32.6Very low101 Ų101138.9 Ų138.953%0.52971%0.71SS.*Hα-helixtrans-69.9-38.4178.5-134.2105.6000111.8M1 L8 L10M1-L6 HydrophobicContact CE-CD1 4.26Å; L6-L8 VanDerWaalsContact C-N 3.33Å; L6-L8 PolarHBondContact O-N 3.33Å; L6-L10 WeakPolarHBondContact O-CD1 3.28Å
7L40.8Very low32.4Very low90 Ų90141.9 Ų141.947%0.47173%0.727SS.*Hα-helixtrans-76.6-15.4-177.4-70.2170.1000114.3L3L3-L7 HydrophobicContact CD2-CD1 4.47Å; L3-L7 HydrophobicContact CG-CD1 4.32Å; L3-L7 WeakPolarHBondContact O-CG 3.37Å; L3-L7 PolarHBondContact O-N 3.26Å
8L35.6Very low32Very low133 Ų133138.2 Ų138.270%0.69673%0.729SS**THydrogen-bonded Turntrans-87.4-11.1-179.2-77.9168000113.9R4 L6R4-L8 WeakPolarHBondContact O-CD1 3.3Å; R4-L8 WeakPolarHBondContact O-CG 3.41Å; L6-L8 VanDerWaalsContact C-N 3.33Å; L6-L8 PolarHBondContact O-N 3.33Å
9H33.1Very low31.7Very low165 Ų165136.9 Ų136.976%0.76473%0.733SS**SBendtrans-104.43.8-176.3-80.737.7000114.3P11H9-P11 VanDerWaalsContact C-CD 3.49Å
10L34.7Very low31.6Very low113 Ų113136.5 Ų136.559%0.59274%0.738SS**SBendtrans-73.5-14.8-177-103.397000117.7L6L6-L10 WeakPolarHBondContact O-CD1 3.28Å
11P32.9Very low31.3Very low113 Ų113141.7 Ų141.773%0.73475%0.747SS**SBendtrans-112.551.8-179.139.4-30.4000114.1H9H9-P11 VanDerWaalsContact C-CD 3.49Å
12R30.6Very low31Very low229 Ų229143.9 Ų143.986%0.86475%0.745SS**SBendtrans-127.75.1171.7-89-168.7172.9-178.7-1.8117.2
13Y30.8Very low30.9Very low232 Ų232146.3 Ų146.391%0.9176%0.757SS**SBendtrans-129.657.4173.2-81-81.2000112
14L29.6Very low30.5Very low181 Ų181152.4 Ų152.495%0.94878%0.775SS**  trans-136.694.9160.7-84.2168.3000107.8
15G25.8Very low30Very low79 Ų79155.3 Ų155.381%0.81479%0.785SS**  trans168.773.8177.900000112.8
16A27.2Very low29.5Very low102 Ų102154.7 Ų154.784%0.84379%0.794SS**  trans160.7110.9140.500000110.2
17L30Very low28.8Very low190 Ų190155.2 Ų155.2100%0.99580%0.804SS**  trans-64.9136.1160.8-90.487.3000109.8
18G24.6Very low27.9Very low75 Ų75157.3 Ų157.377%0.77382%0.824SS**  trans-166.8129.9167.800000111.8
19S25.4Very low27.3Very low114 Ų114158.3 Ų158.380%0.79783%0.83SS**  trans-56.2162.8-174.352.80000116.8
20P31.4Very low26.8Very low129 Ų129158.2 Ų158.284%0.83884%0.835SS**  trans-84.9138.4-161.634.6-32.5000113.1
21R24.1Very low26.2Very low246 Ų246158.4 Ų158.493%0.92884%0.841SS**  trans-123.3131.1162.4-81.7-169.3175.5-1400.5111
22R27.3Very low25.8Very low228 Ų228160.4 Ų160.486%0.8684%0.844SS**  trans-55141.4170.4-58.9171.2-159.8-117.7-2110.9
23L24.7Very low25.4Very low158 Ų158155 Ų15583%0.82784%0.841SS**  trans-158.493.1150.9-89.2145.5000103.8
24W21.9Very low24.9Very low216 Ų216149.3 Ų149.382%0.81884%0.835SS**  32122.997.6-76.242.2000112.3
25W22.5Very low25Very low250 Ų250148 Ų14895%0.94784%0.835SS**  -162.9136.9129.4-98.231.7000109.1
26S22.8Very low24.9Very low105 Ų105146.7 Ų146.773%0.73482%0.821SS**  trans-89.7171.3-174.3-70.20000111.8
27P28.3Very low24.7Very low111 Ų111147.5 Ų147.572%0.72182%0.82SS**  trans-93.2151.3-162.236-29.9000112.8
28C22.2Very low24.6Very low134 Ų134149.8 Ų149.891%0.90582%0.816SS**  trans-104.3110.3155.4-81.90000109
29L23.2Very low24.5Very low155 Ų155157.3 Ų157.381%0.81282%0.821SS**  trans-66.8136.5154.7-82.6141.5000108.5
30D22.9Very low24.9Very low163 Ų163155.6 Ų155.687%0.87282%0.821SS**  trans-149.4154.9146.9-95.8-34000110.4
31T21.6Very low24.6Very low117 Ų117158.2 Ų158.272%0.71882%0.822SS**  trans-104.1132.9-142.8-40.40000112.9
32I25.1Very low25.4Very low155 Ų155152.5 Ų152.580%0.79582%0.82SS**  trans28128.5145.3-52.4170.8000121.1
33S21.2Very low25.5Very low115 Ų115144.9 Ų144.980%0.80480%0.802SS**  151.9144.6127.859.70000109.2
34S21.4Very low26.3Very low113 Ų113145.9 Ų145.979%0.7980%0.799SS**  cis-158.4160.124.959.30000110.2G36S34-G36 PolarHBondContact O-N 3.41Å
35V31.9Very low27.8Very low154 Ų154138.4 Ų138.493%0.93378%0.78SS**  trans-67.8118.5173.4175.60000109.8
36G22.8Very low29.5Very low51 Ų51130.3 Ų130.353%0.52676%0.759SS.*  trans-116.2116.7177.800000112.5S34S34-G36 PolarHBondContact O-N 3.41Å
37S23.4Very low31.4Very low119 Ų119127.9 Ų127.983%0.83275%0.746SS**  trans-58.6126.2173.5-179.80000112.2R39S37-R39 PolarHBondContact O-N 3.5Å
38W27.1Very low33.8Very low238 Ų238125 Ų12590%0.90272%0.722SS**  trans-91.798.9175-72.386000110.9
39R22.4Very low36.7Very low233 Ų233120.5 Ų120.588%0.87969%0.686SS**  trans-78.9138.3162.8-136.7-178.7-113.5-109.82.1108.5S37S37-R39 PolarHBondContact O-N 3.5Å
40G35.2Very low39.4Very low77 Ų77115.5 Ų115.579%0.79466%0.661SS**  trans-55.7139.3-168.200000115.9
41Q25.4Very low42.4Very low184 Ų184112.4 Ų112.486%0.8664%0.641SS**  trans-134.4124.9156.6-79-173-10.400109.3S43Q41-S43 PolarHBondContact O-N 3.46Å
42S39.2Very low45.5Very low127 Ų127107.7 Ų107.789%0.88861%0.612SS**  trans-67.2121.2172.864.80000109.5
43S31.1Very low48.4Very low68 Ų68101.4 Ų101.448%0.47658%0.581SS.*  trans-147.3137.5161770000112.8Q41Q41-S43 PolarHBondContact O-N 3.46Å
44K40.9Very low51.4Low178 Ų17898.2 Ų98.277%0.77456%0.558SS**  trans-11.4120173.5-61.9170.9-179.9175.50114.8P46 A47K44-P46 VanDerWaalsContact C-N 3.34Å; K44-P46 WeakPolarHBondContact O-CD 3.43Å; K44-P46 VanDerWaalsContact O-N 3.07Å; K44-A47 WeakPolarHBondContact O-CB 3.15Å; K44-A47 PolarHBondContact O-N 2.74Å
45S54.3Low54.5Low60 Ų6096.9 Ų96.942%0.4254%0.54SS..Hα-helixtrans-47.3-35.7-173.459.70000117.1
46P56.7Low57.3Low79 Ų7989.6 Ų89.651%0.51350%0.496SS..Hα-helixtrans-75.9-30.9178.8-1431000113.4K44 H48 N50K44-P46 VanDerWaalsContact C-N 3.34Å; K44-P46 WeakPolarHBondContact O-CD 3.43Å; K44-P46 VanDerWaalsContact O-N 3.07Å; P46-H48 VanDerWaalsContact C-N 3.32Å; P46-N50 VanDerWaalsContact O-CG 3.28Å; P46-N50 PolarHBondContact O-N 3.43Å; P46-N50 PolarHBondContact O-ND2 3.29Å
47A64.1Low60.3Low54 Ų5488.9 Ų88.945%0.44648%0.478SS..Hα-helixtrans-68.9-36-179.300000111.3K44 Q51K44-A47 WeakPolarHBondContact O-CB 3.15Å; K44-A47 PolarHBondContact O-N 2.74Å; A47-Q51 PolarHBondContact O-N 3.25Å; A47-Q51 VanDerWaalsContact O-N 3.15Å
48H78.4Confident63.4Low50 Ų5089.3 Ų89.323%0.23147%0.465CS..Hα-helixtrans-70.2-44.2178.8-175.663000112.9P46 N50 Q51 V52 R397P46-H48 VanDerWaalsContact C-N 3.32Å; H48-N50 VanDerWaalsContact C-N 3.31Å; H48-N50 PolarHBondContact O-N 3.41Å; H48-Q51 WeakPolarHBondContact O-CB 3.36Å; H48-Q51 PolarHBondContact O-N 3.2Å; H48-V52 WeakPolarHBondContact O-CG2 3.46Å; H48-V52 PolarHBondContact O-N 3.42Å; H48-R397 VanDerWaalsContact CB-NH2 3.29Å; H48-R397 PolarHBondContact CD2-NH1 3.44Å; H48-R397 VanDerWaalsContact CD2-NH1 3.32Å; H48-R397 PolarHBondContact CD2-NH2 2.92Å; H48-R397 VanDerWaalsContact CD2-NH2 3.33Å; H48-R397 PolarHBondContact NE2-NH1 3.3Å
49W82.1Confident66.3Low40 Ų4079.4 Ų79.415%0.15243%0.43CS..Hα-helixtrans-57.6-45.7175.9176.7-103.3000111.6Q51 V52 V53 L111 I391 A394 V395W49-Q51 VanDerWaalsContact C-N 3.3Å; W49-Q51 PolarHBondContact O-N 2.94Å; W49-V52 PolarHBondContact O-N 3.12Å; W49-V52 VanDerWaalsContact O-N 3.16Å; W49-V53 HydrophobicContact CD2-CG2 4.22Å; W49-V53 HydrophobicContact CZ2-CG2 3.94Å; W49-V53 WeakPolarHBondContact O-CG2 3.41Å; W49-V53 PolarHBondContact O-N 3.3Å; W49-L111 HydrophobicContact CH2-CD1 4.06Å; W49-L111 HydrophobicContact CH2-CD2 4.06Å; W49-L111 HydrophobicContact CZ2-CD1 4.02Å; W49-L111 HydrophobicContact CZ2-CD2 4.01Å; W49-I391 HydrophobicContact CH2-CG2 4.15Å; W49-I391 HydrophobicContact CZ3-CG2 4.35Å; W49-A394 HydrophobicContact CE3-CB 3.74Å; W49-A394 HydrophobicContact CZ3-CB 4.01Å; W49-V395 HydrophobicContact CH2-CG2 3.87Å; W49-V395 HydrophobicContact CZ3-CG2 3.57Å
50N80.4Confident69.4Low50 Ų5068.4 Ų68.427%0.26739%0.388SS..Hα-helixtrans-66.3-34.8-179-67.7-8.2000112.7P46 H48 S54 R106 N107P46-N50 VanDerWaalsContact O-CG 3.28Å; P46-N50 PolarHBondContact O-N 3.43Å; P46-N50 PolarHBondContact O-ND2 3.29Å; H48-N50 VanDerWaalsContact C-N 3.31Å; H48-N50 PolarHBondContact O-N 3.41Å; N50-S54 VanDerWaalsContact O-CB 3.23Å; N50-S54 WeakPolarHBondContact O-CB 3.32Å; N50-S54 PolarHBondContact O-N 2.66Å; N50-R106 PolarHBondContact OD1-O 3.12Å; N50-N107 VanDerWaalsContact CG-OD1 3.23Å; N50-N107 PolarHBondContact ND2-OD1 3.37Å; N50-N107 PolarHBondContact OD1-OD1 2.97Å
51Q85.1Confident71.2Confident99 Ų9967.1 Ų67.146%0.46338%0.376SS..Hα-helixtrans-64.1-48172.3-173.9-179.84.500110.9A47 H48 W49 V53 S54 E55A47-Q51 PolarHBondContact O-N 3.25Å; A47-Q51 VanDerWaalsContact O-N 3.15Å; H48-Q51 WeakPolarHBondContact O-CB 3.36Å; H48-Q51 PolarHBondContact O-N 3.2Å; W49-Q51 VanDerWaalsContact C-N 3.3Å; W49-Q51 PolarHBondContact O-N 2.94Å; Q51-V53 PolarHBondContact O-N 3.35Å; Q51-S54 PolarHBondContact O-N 2.87Å; Q51-E55 WeakPolarHBondContact O-CG 3.24Å; Q51-E55 PolarHBondContact O-N 2.87Å
52V88.1Confident73Confident18 Ų1862.9 Ų62.911%0.10935%0.352CS..Hα-helixtrans-59.1-46.6179.2170.50000111.5H48 W49 E55 A56 N390 I391 A394H48-V52 WeakPolarHBondContact O-CG2 3.46Å; H48-V52 PolarHBondContact O-N 3.42Å; W49-V52 PolarHBondContact O-N 3.12Å; W49-V52 VanDerWaalsContact O-N 3.16Å; V52-E55 PolarHBondContact O-N 3.05Å; V52-A56 WeakPolarHBondContact O-CB 3.42Å; V52-A56 PolarHBondContact O-N 3.01Å; V52-N390 HydrophobicContact CG1-CB 4.14Å; V52-I391 HydrophobicContact CG1-CG1 3.83Å; V52-A394 HydrophobicContact CG1-CB 4.4Å; V52-A394 HydrophobicContact CG2-CB 4.2Å
53V84.3Confident73.8Confident22 Ų2259.9 Ų59.913%0.13333%0.33CS..Hα-helixtrans-63.9-43.3177174.60000111.3W49 Q51 E55 A56 E57 L114W49-V53 HydrophobicContact CD2-CG2 4.22Å; W49-V53 HydrophobicContact CZ2-CG2 3.94Å; W49-V53 WeakPolarHBondContact O-CG2 3.41Å; W49-V53 PolarHBondContact O-N 3.3Å; Q51-V53 PolarHBondContact O-N 3.35Å; V53-E55 PolarHBondContact O-N 3.26Å; V53-A56 WeakPolarHBondContact O-CB 3.43Å; V53-A56 PolarHBondContact O-N 2.86Å; V53-E57 HydrophobicContact CG1-CG 4.47Å; V53-E57 WeakPolarHBondContact O-CG 3.36Å; V53-E57 PolarHBondContact O-N 3.12Å; V53-L114 HydrophobicContact CG1-CD2 4.01Å
54S84.2Confident74.9Confident48 Ų4857 Ų5734%0.33631%0.309SS..Hα-helixtrans-65-39.3179.9-174.30000112.9N50 Q51 E57 K58N50-S54 VanDerWaalsContact O-CB 3.23Å; N50-S54 WeakPolarHBondContact O-CB 3.32Å; N50-S54 PolarHBondContact O-N 2.66Å; Q51-S54 PolarHBondContact O-N 2.87Å; S54-E57 PolarHBondContact O-N 3.27Å; S54-K58 WeakPolarHBondContact O-CG 3.38Å; S54-K58 PolarHBondContact O-N 2.94Å
55E87.9Confident75.3Confident86 Ų8650 Ų5040%0.40228%0.282SS..Hα-helixtrans-66.9-40174.1-64.9-47.4133.200111.5Q51 V52 V53 E57 K58 I59Q51-E55 WeakPolarHBondContact O-CG 3.24Å; Q51-E55 PolarHBondContact O-N 2.87Å; V52-E55 PolarHBondContact O-N 3.05Å; V53-E55 PolarHBondContact O-N 3.26Å; E55-E57 PolarHBondContact O-N 3.49Å; E55-K58 PolarHBondContact O-N 3.48Å; E55-K58 IonicContact OE1-NZ 3.09Å; E55-K58 PolarHBondContact OE1-NZ 2.9Å; E55-K58 IonicContact OE2-NZ 3.28Å; E55-K58 PolarHBondContact OE2-NZ 2.99Å; E55-K58 VanDerWaalsContact OE2-NZ 3.09Å; E55-I59 WeakPolarHBondContact O-CG1 3.35Å; E55-I59 PolarHBondContact O-N 3.24Å
56A89.4Confident75.1Confident1 Ų151.9 Ų51.91%0.00828%0.284CS..Hα-helixtrans-60-42.4173.900000112.9V52 V53 K58 I59 L114 L118 A387 I391V52-A56 WeakPolarHBondContact O-CB 3.42Å; V52-A56 PolarHBondContact O-N 3.01Å; V53-A56 WeakPolarHBondContact O-CB 3.43Å; V53-A56 PolarHBondContact O-N 2.86Å; A56-K58 VanDerWaalsContact C-N 3.31Å; A56-K58 PolarHBondContact O-N 3.46Å; A56-I59 PolarHBondContact O-N 3.07Å; A56-L114 HydrophobicContact CB-CD1 4.35Å; A56-L114 HydrophobicContact CB-CD2 3.88Å; A56-L114 HydrophobicContact CB-CG 4.38Å; A56-L118 HydrophobicContact CB-CD1 3.98Å; A56-A387 HydrophobicContact CB-CB 4.31Å; A56-I391 HydrophobicContact CB-CD1 4.27Å
57E86.7Confident75.1Confident35 Ų3549.8 Ų49.816%0.16427%0.267CS..Hα-helixtrans-61.3-37.6176.2-74.5-177.6132.200112.4V53 S54 E55 I59 V60 G61 T64 L114V53-E57 HydrophobicContact CG1-CG 4.47Å; V53-E57 WeakPolarHBondContact O-CG 3.36Å; V53-E57 PolarHBondContact O-N 3.12Å; S54-E57 PolarHBondContact O-N 3.27Å; E55-E57 PolarHBondContact O-N 3.49Å; E57-I59 VanDerWaalsContact C-N 3.31Å; E57-I59 PolarHBondContact O-N 3.2Å; E57-V60 VanDerWaalsContact O-CG2 3.23Å; E57-V60 WeakPolarHBondContact O-CG2 3.14Å; E57-V60 PolarHBondContact O-N 2.98Å; E57-G61 PolarHBondContact O-N 3.27Å; E57-T64 PolarHBondContact OE1-OG1 3.24Å; E57-T64 VanDerWaalsContact OE1-OG1 3.05Å; E57-L114 HydrophobicContact CG-CD1 4.28Å; E57-L114 HydrophobicContact CG-CD2 4.13Å
58K87.7Confident74.5Confident128 Ų12848.2 Ų48.256%0.55725%0.253SS*.Hα-helixtrans-63.1-38.3177.8-68.3170.9-167.5169.70111.9S54 E55 A56 V60 G61S54-K58 WeakPolarHBondContact O-CG 3.38Å; S54-K58 PolarHBondContact O-N 2.94Å; E55-K58 PolarHBondContact O-N 3.48Å; E55-K58 IonicContact OE1-NZ 3.09Å; E55-K58 PolarHBondContact OE1-NZ 2.9Å; E55-K58 IonicContact OE2-NZ 3.28Å; E55-K58 PolarHBondContact OE2-NZ 2.99Å; E55-K58 VanDerWaalsContact OE2-NZ 3.09Å; A56-K58 VanDerWaalsContact C-N 3.31Å; A56-K58 PolarHBondContact O-N 3.46Å; K58-V60 VanDerWaalsContact C-N 3.33Å; K58-V60 PolarHBondContact O-N 3.42Å; K58-G61 PolarHBondContact O-N 3.39Å; K58-G61 VanDerWaalsContact O-N 3.13Å
59I89.6Confident73.1Confident31 Ų3149.7 Ų49.716%0.15926%0.262CS..Hα-helixtrans-64.8-36.7-176.4-69.7164.5000112E55 A56 E57 G61 L118 K121 E383 A384 A387E55-I59 WeakPolarHBondContact O-CG1 3.35Å; E55-I59 PolarHBondContact O-N 3.24Å; A56-I59 PolarHBondContact O-N 3.07Å; E57-I59 VanDerWaalsContact C-N 3.31Å; E57-I59 PolarHBondContact O-N 3.2Å; I59-G61 VanDerWaalsContact C-N 3.26Å; I59-G61 PolarHBondContact O-N 3.42Å; I59-L118 HydrophobicContact CB-CD2 4.39Å; I59-L118 HydrophobicContact CG2-CD2 4.1Å; I59-K121 HydrophobicContact CG2-CD 3.83Å; I59-K121 WeakPolarHBondContact O-CD 3.25Å; I59-K121 WeakPolarHBondContact O-CE 3.29Å; I59-K121 PolarHBondContact O-NZ 3.5Å; I59-E383 HydrophobicContact CD1-CB 4.25Å; I59-E383 HydrophobicContact CG1-CB 4.43Å; I59-E383 HydrophobicContact CG2-CB 4.39Å; I59-A384 HydrophobicContact CG2-CB 4.15Å; I59-A387 HydrophobicContact CD1-CB 3.61Å
60V86.9Confident72Confident1 Ų156 Ų561%0.00629%0.286CS..Hα-helixtrans-80.7-8.4179-60.60000112.8E57 K58 Y62 L114 L117 L118 I141E57-V60 VanDerWaalsContact O-CG2 3.23Å; E57-V60 WeakPolarHBondContact O-CG2 3.14Å; E57-V60 PolarHBondContact O-N 2.98Å; K58-V60 VanDerWaalsContact C-N 3.33Å; K58-V60 PolarHBondContact O-N 3.42Å; V60-Y62 PolarHBondContact O-N 3.08Å; V60-L114 HydrophobicContact CG1-CD1 4.32Å; V60-L114 HydrophobicContact CG2-CD1 3.87Å; V60-L117 HydrophobicContact CB-CB 4.12Å; V60-L117 HydrophobicContact CB-CD1 4.37Å; V60-L117 HydrophobicContact CG1-CB 3.7Å; V60-L117 HydrophobicContact CG2-CD1 4.18Å; V60-L118 HydrophobicContact CG1-CD2 3.7Å; V60-L118 HydrophobicContact CG1-CG 3.94Å; V60-I141 HydrophobicContact CB-CD1 4.11Å; V60-I141 HydrophobicContact CG1-CD1 4.19Å
61G72.9Confident70.8Confident51 Ų5155.4 Ų55.453%0.52629%0.285SS..THydrogen-bonded Turntrans70.87.6170.600000115.1E57 K58 I59E57-G61 PolarHBondContact O-N 3.27Å; K58-G61 PolarHBondContact O-N 3.39Å; K58-G61 VanDerWaalsContact O-N 3.13Å; I59-G61 VanDerWaalsContact C-N 3.26Å; I59-G61 PolarHBondContact O-N 3.42Å
62Y62.9Low69.4Low95 Ų9553.5 Ų53.537%0.37328%0.278SS..SBendtrans-140.1124.9175.2-146.2-99.4000108V60 T64 F66 M67V60-Y62 PolarHBondContact O-N 3.08Å; Y62-T64 PolarHBondContact O-N 2.99Å; Y62-T64 VanDerWaalsContact O-N 3.08Å; Y62-F66 HydrophobicContact CD1-CB 4.34Å; Y62-F66 HydrophobicContact CE1-CB 3.9Å; Y62-F66 AromaticContact CE1-CD1 3.64Å; Y62-F66 HydrophobicContact CE1-CD1 3.64Å; Y62-F66 HydrophobicContact CE1-CG 4.09Å; Y62-F66 AromaticContact CZ-CD1 3.82Å; Y62-F66 WeakPolarHBondContact OH-CD1 3.21Å; Y62-F66 WeakPolarHBondContact OH-CE1 3.4Å; Y62-M67 HydrophobicContact CE1-CE 4.46Å
63P55.7Low67.9Low63 Ų6357.9 Ų57.941%0.40930%0.3SS..  trans-61.1120.1174.3-11.223.6000107.1S65 F66P63-S65 WeakPolarHBondContact CB-OG 3.4Å; P63-S65 PolarHBondContact O-N 2.8Å; P63-S65 VanDerWaalsContact O-N 3.12Å; P63-F66 HydrophobicContact CB-CB 4.37Å; P63-F66 VanDerWaalsContact O-CB 3.28Å; P63-F66 WeakPolarHBondContact O-CB 3.4Å; P63-F66 PolarHBondContact O-N 3.14Å
64T53.9Low67.2Low7 Ų758.3 Ų58.34%0.04330%0.304CS..Hα-helixtrans-55.6-30.1169.739.90000109.2E57 Y62 F66 M67 Q110 L114 L117E57-T64 PolarHBondContact OE1-OG1 3.24Å; E57-T64 VanDerWaalsContact OE1-OG1 3.05Å; Y62-T64 PolarHBondContact O-N 2.99Å; Y62-T64 VanDerWaalsContact O-N 3.08Å; T64-F66 PolarHBondContact O-N 3.16Å; T64-F66 VanDerWaalsContact O-N 3.09Å; T64-M67 WeakPolarHBondContact O-CA 3.43Å; T64-M67 WeakPolarHBondContact O-CB 3.42Å; T64-M67 WeakPolarHBondContact O-CG 3.42Å; T64-M67 PolarHBondContact O-N 3.15Å; T64-Q110 VanDerWaalsContact O-CD 3.28Å; T64-Q110 PolarHBondContact O-NE2 3.17Å; T64-Q110 PolarHBondContact O-OE1 3.48Å; T64-Q110 PolarHBondContact OG1-OE1 3.41Å; T64-L114 HydrophobicContact CG2-CB 4.12Å; T64-L114 HydrophobicContact CG2-CD1 4.46Å; T64-L117 HydrophobicContact CG2-CD1 3.87Å
65S49.5Very low66.7Low31 Ų3161.7 Ų61.722%0.21732%0.319CS..Hα-helixtrans-57.4-2617650.80000113.3P63 M67 L69 Q110P63-S65 WeakPolarHBondContact CB-OG 3.4Å; P63-S65 PolarHBondContact O-N 2.8Å; P63-S65 VanDerWaalsContact O-N 3.12Å; S65-M67 VanDerWaalsContact C-N 3.33Å; S65-L69 WeakPolarHBondContact O-CG 3.3Å; S65-L69 PolarHBondContact O-N 3.01Å; S65-L69 VanDerWaalsContact O-N 3.09Å; S65-Q110 VanDerWaalsContact CA-OE1 3.26Å
66F50.7Low65.8Low101 Ų10162.3 Ų62.344%0.44332%0.321SS..Hα-helixtrans-71.6-26.4173.3-156.7-93.1000112.8Y62 P63 T64 L69 R70Y62-F66 HydrophobicContact CD1-CB 4.34Å; Y62-F66 HydrophobicContact CE1-CB 3.9Å; Y62-F66 AromaticContact CE1-CD1 3.64Å; Y62-F66 HydrophobicContact CE1-CD1 3.64Å; Y62-F66 HydrophobicContact CE1-CG 4.09Å; Y62-F66 AromaticContact CZ-CD1 3.82Å; Y62-F66 WeakPolarHBondContact OH-CD1 3.21Å; Y62-F66 WeakPolarHBondContact OH-CE1 3.4Å; P63-F66 HydrophobicContact CB-CB 4.37Å; P63-F66 VanDerWaalsContact O-CB 3.28Å; P63-F66 WeakPolarHBondContact O-CB 3.4Å; P63-F66 PolarHBondContact O-N 3.14Å; T64-F66 PolarHBondContact O-N 3.16Å; T64-F66 VanDerWaalsContact O-N 3.09Å; F66-L69 PolarHBondContact O-N 3.31Å; F66-R70 PolarHBondContact O-N 2.9Å
67M55.5Low64.9Low35 Ų3563.3 Ų63.317%0.17233%0.327CS..Hα-helixtrans-67.3-48.7175.4-43.2-108.261.300110.4Y62 T64 S65 L69 R70 C71 E150Y62-M67 HydrophobicContact CE1-CE 4.46Å; T64-M67 WeakPolarHBondContact O-CA 3.43Å; T64-M67 WeakPolarHBondContact O-CB 3.42Å; T64-M67 WeakPolarHBondContact O-CG 3.42Å; T64-M67 PolarHBondContact O-N 3.15Å; S65-M67 VanDerWaalsContact C-N 3.33Å; M67-L69 VanDerWaalsContact C-N 3.28Å; M67-L69 PolarHBondContact O-N 2.94Å; M67-R70 PolarHBondContact O-N 2.78Å; M67-C71 WeakPolarHBondContact O-CB 3.38Å; M67-C71 PolarHBondContact O-N 2.91Å; M67-E150 HydrophobicContact CE-CG 3.26Å; M67-E150 WeakPolarHBondContact CE-OE1 3.21Å; M67-E150 HydrophobicContact CG-CG 4.48Å; M67-E150 HydrophobicContact SD-CG 3.22Å; M67-E150 WeakPolarHBondContact SD-CG 2.97Å
68S51.5Low64.4Low20 Ų2064.2 Ų64.214%0.1434%0.336CS..Hα-helixtrans-63-35.1173-73.50000111.5L72 Q110S68-L72 WeakPolarHBondContact O-CB 3.42Å; S68-L72 WeakPolarHBondContact O-CD1 3.48Å; S68-L72 WeakPolarHBondContact O-CG 3.39Å; S68-L72 PolarHBondContact O-N 3.44Å; S68-Q110 VanDerWaalsContact CB-NE2 3.26Å; S68-Q110 PolarHBondContact OG-NE2 2.92Å
69L50.2Low63.9Low81 Ų8162.3 Ų62.342%0.42433%0.333SS..Hα-helixtrans-66.4-46.4173.7-79.6161.9000112.5S65 F66 M67 C71 L72 L73S65-L69 WeakPolarHBondContact O-CG 3.3Å; S65-L69 PolarHBondContact O-N 3.01Å; S65-L69 VanDerWaalsContact O-N 3.09Å; F66-L69 PolarHBondContact O-N 3.31Å; M67-L69 VanDerWaalsContact C-N 3.28Å; M67-L69 PolarHBondContact O-N 2.94Å; L69-C71 VanDerWaalsContact C-N 3.28Å; L69-C71 PolarHBondContact O-N 3.03Å; L69-L72 PolarHBondContact O-N 3.19Å; L69-L73 HydrophobicContact CB-CD1 4.36Å; L69-L73 WeakPolarHBondContact O-CB 3.29Å; L69-L73 WeakPolarHBondContact O-CD1 3.28Å; L69-L73 WeakPolarHBondContact O-CG 3.27Å; L69-L73 PolarHBondContact O-N 3.19Å
70R58.9Low63.4Low173 Ų17362.5 Ų62.565%0.65333%0.333SS*.Hα-helixtrans-61.5-39.2177.9-173.6178.7179.9171.3-0.1111.8F66 M67 S74F66-R70 PolarHBondContact O-N 2.9Å; M67-R70 PolarHBondContact O-N 2.78Å; R70-S74 PolarHBondContact O-N 2.82Å
71C55Low63Low38 Ų3865.1 Ų65.126%0.25736%0.355SS..Hα-helixtrans-62.2-58.9171.3-169.60000110.1M67 L69 L73 S74 L77 L154M67-C71 WeakPolarHBondContact O-CB 3.38Å; M67-C71 PolarHBondContact O-N 2.91Å; L69-C71 VanDerWaalsContact C-N 3.28Å; L69-C71 PolarHBondContact O-N 3.03Å; C71-L73 PolarHBondContact O-N 3.34Å; C71-L73 VanDerWaalsContact O-N 3.11Å; C71-S74 WeakPolarHBondContact O-CB 3.47Å; C71-S74 PolarHBondContact O-N 2.93Å; C71-L77 VanDerWaalsContact C-CD1 3.41Å; C71-L77 HydrophobicContact CB-CD1 4.26Å; C71-L77 WeakPolarHBondContact O-CB 3.47Å; C71-L77 WeakPolarHBondContact O-CD1 3.48Å; C71-L77 WeakPolarHBondContact SG-CD1 3.38Å; C71-L154 VanDerWaalsContact SG-CD2 3.51Å
72L55.8Low63.4Low58 Ų5867.8 Ų67.830%0.30436%0.355SS..Hα-helixtrans-58.6-26.9-178.8-73.3167.8000114.6S68 L69 V102S68-L72 WeakPolarHBondContact O-CB 3.42Å; S68-L72 WeakPolarHBondContact O-CD1 3.48Å; S68-L72 WeakPolarHBondContact O-CG 3.39Å; S68-L72 PolarHBondContact O-N 3.44Å; L69-L72 PolarHBondContact O-N 3.19Å; L72-V102 HydrophobicContact CD1-CG2 4.45Å
73L55.6Low64.5Low111 Ų11165.8 Ų65.858%0.58135%0.349SS*.THydrogen-bonded Turntrans-89.11.3179.4-67.3169.4000113.3L69 C71L69-L73 HydrophobicContact CB-CD1 4.36Å; L69-L73 WeakPolarHBondContact O-CB 3.29Å; L69-L73 WeakPolarHBondContact O-CD1 3.28Å; L69-L73 WeakPolarHBondContact O-CG 3.27Å; L69-L73 PolarHBondContact O-N 3.19Å; C71-L73 PolarHBondContact O-N 3.34Å; C71-L73 VanDerWaalsContact O-N 3.11Å
74S70.4Confident65.8Low31 Ų3163.5 Ų63.522%0.21733%0.334CS..SBendtrans-66.3145.3170.2105.60000110.1R70 C71 E76 L77 S78R70-S74 PolarHBondContact O-N 2.82Å; C71-S74 WeakPolarHBondContact O-CB 3.47Å; C71-S74 PolarHBondContact O-N 2.93Å; S74-E76 WeakPolarHBondContact CB-OE2 3.38Å; S74-E76 PolarHBondContact O-N 3.05Å; S74-E76 PolarHBondContact OG-N 3.42Å; S74-E76 PolarHBondContact OG-OE2 2.98Å; S74-L77 PolarHBondContact O-N 3.03Å; S74-L77 VanDerWaalsContact O-N 3.11Å; S74-L77 PolarHBondContact OG-N 2.94Å; S74-S78 PolarHBondContact O-N 3.05Å
75D72.9Confident67.3Low119 Ų11970.9 Ų70.964%0.63636%0.361SS*.Hα-helixtrans-58.1-35.5-179.4-71.3-31.9000111S78 N79D75-S78 PolarHBondContact O-N 3.41Å; D75-S78 PolarHBondContact O-OG 3.39Å; D75-N79 PolarHBondContact O-N 3.09Å; D75-N79 PolarHBondContact O-ND2 3.38Å
76E69.5Low69.1Low99 Ų9975.5 Ų75.546%0.46338%0.377SS..Hα-helixtrans-67-42177.3-55.977.7-168.700112.4S74 N79 I80 F194S74-E76 WeakPolarHBondContact CB-OE2 3.38Å; S74-E76 PolarHBondContact O-N 3.05Å; S74-E76 PolarHBondContact OG-N 3.42Å; S74-E76 PolarHBondContact OG-OE2 2.98Å; E76-N79 WeakPolarHBondContact O-CB 3.42Å; E76-N79 PolarHBondContact O-N 3.39Å; E76-I80 PolarHBondContact O-N 3.49Å; E76-I80 VanDerWaalsContact O-N 3.08Å; E76-F194 HydrophobicContact CB-CE1 4.08Å; E76-F194 HydrophobicContact CB-CE2 3.84Å; E76-F194 HydrophobicContact CB-CZ 3.36Å; E76-F194 HydrophobicContact CG-CE2 4.03Å; E76-F194 HydrophobicContact CG-CZ 3.86Å
77L71.8Confident70.8Confident22 Ų2270.8 Ų70.812%0.11536%0.357CS..Hα-helixtrans-74.1-28.7177.5-87.7153.8000112.6C71 S74 N79 I80 A81 F194 L195C71-L77 VanDerWaalsContact C-CD1 3.41Å; C71-L77 HydrophobicContact CB-CD1 4.26Å; C71-L77 WeakPolarHBondContact O-CB 3.47Å; C71-L77 WeakPolarHBondContact O-CD1 3.48Å; C71-L77 WeakPolarHBondContact SG-CD1 3.38Å; S74-L77 PolarHBondContact O-N 3.03Å; S74-L77 VanDerWaalsContact O-N 3.11Å; S74-L77 PolarHBondContact OG-N 2.94Å; L77-N79 VanDerWaalsContact C-N 3.28Å; L77-N79 PolarHBondContact O-N 2.82Å; L77-I80 HydrophobicContact CD2-CD1 4.05Å; L77-I80 HydrophobicContact CG-CD1 4.41Å; L77-I80 PolarHBondContact O-N 3.38Å; L77-A81 VanDerWaalsContact O-CB 3.31Å; L77-A81 WeakPolarHBondContact O-CB 3.5Å; L77-A81 PolarHBondContact O-N 2.95Å; L77-F194 HydrophobicContact CD1-CE1 4.26Å; L77-F194 HydrophobicContact CG-CE1 4.11Å; L77-L195 HydrophobicContact CD1-CD2 4.43Å; L77-L195 HydrophobicContact CD2-CD2 4.49Å
78S74.5Confident72.2Confident53 Ų5374 Ų7437%0.37138%0.378SS..Hα-helixtrans-61.6-38.8169.286.30000111.6S74 D75 A81 M82S74-S78 PolarHBondContact O-N 3.05Å; D75-S78 PolarHBondContact O-N 3.41Å; D75-S78 PolarHBondContact O-OG 3.39Å; S78-A81 PolarHBondContact O-N 3.46Å; S78-M82 WeakPolarHBondContact O-CB 3.41Å; S78-M82 PolarHBondContact O-N 3.08Å
79N77.3Confident73.7Confident89 Ų8977 Ų7748%0.47641%0.412SS..Hα-helixtrans-66.6-43.6174.6-73.8-47.2000111.6D75 E76 L77 M82 Q83D75-N79 PolarHBondContact O-N 3.09Å; D75-N79 PolarHBondContact O-ND2 3.38Å; E76-N79 WeakPolarHBondContact O-CB 3.42Å; E76-N79 PolarHBondContact O-N 3.39Å; L77-N79 VanDerWaalsContact C-N 3.28Å; L77-N79 PolarHBondContact O-N 2.82Å; N79-M82 PolarHBondContact O-N 3.08Å; N79-Q83 WeakPolarHBondContact O-CG 3.41Å; N79-Q83 PolarHBondContact O-N 3.4Å; N79-Q83 VanDerWaalsContact O-N 3.15Å
80I79.6Confident75.6Confident34 Ų3474 Ų7417%0.17440%0.397CS..Hα-helixtrans-60-48.2173.9-67.8169000110.5E76 L77 M82 Q83 V84 S191 F194E76-I80 PolarHBondContact O-N 3.49Å; E76-I80 VanDerWaalsContact O-N 3.08Å; L77-I80 HydrophobicContact CD2-CD1 4.05Å; L77-I80 HydrophobicContact CG-CD1 4.41Å; L77-I80 PolarHBondContact O-N 3.38Å; I80-M82 VanDerWaalsContact C-N 3.27Å; I80-M82 PolarHBondContact O-N 3.13Å; I80-Q83 PolarHBondContact O-N 3.01Å; I80-V84 HydrophobicContact CG2-CG2 4.25Å; I80-V84 WeakPolarHBondContact O-CG2 3.43Å; I80-V84 PolarHBondContact O-N 3.08Å; I80-S191 WeakPolarHBondContact CG2-OG 3.48Å; I80-F194 HydrophobicContact CD1-CB 4.5Å; I80-F194 HydrophobicContact CD1-CD1 3.78Å; I80-F194 HydrophobicContact CD1-CE1 4.32Å; I80-F194 HydrophobicContact CD1-CG 4.24Å
81A79.1Confident76.8Confident56 Ų5671.9 Ų71.946%0.46339%0.394SS..Hα-helixtrans-59.2-38.4179.200000112.1L77 S78 Q83 V84 R85L77-A81 VanDerWaalsContact O-CB 3.31Å; L77-A81 WeakPolarHBondContact O-CB 3.5Å; L77-A81 PolarHBondContact O-N 2.95Å; S78-A81 PolarHBondContact O-N 3.46Å; A81-Q83 VanDerWaalsContact C-N 3.35Å; A81-Q83 PolarHBondContact O-N 3.49Å; A81-V84 PolarHBondContact O-N 3.02Å; A81-R85 PolarHBondContact O-N 3.47Å
82M82.1Confident78.5Confident107 Ų10770 Ų7053%0.52738%0.382SS..Hα-helixtrans-63.3-38.6174-175.417558.900112.2S78 N79 I80S78-M82 WeakPolarHBondContact O-CB 3.41Å; S78-M82 PolarHBondContact O-N 3.08Å; N79-M82 PolarHBondContact O-N 3.08Å; I80-M82 VanDerWaalsContact C-N 3.27Å; I80-M82 PolarHBondContact O-N 3.13Å
83Q84.4Confident80Confident54 Ų5469.3 Ų69.325%0.25238%0.381SS..Hα-helixtrans-69.9-42.8175.2-60-57.9-19.400111.9N79 I80 A81 R85 K86 F183 I187N79-Q83 WeakPolarHBondContact O-CG 3.41Å; N79-Q83 PolarHBondContact O-N 3.4Å; N79-Q83 VanDerWaalsContact O-N 3.15Å; I80-Q83 PolarHBondContact O-N 3.01Å; A81-Q83 VanDerWaalsContact C-N 3.35Å; A81-Q83 PolarHBondContact O-N 3.49Å; Q83-R85 PolarHBondContact O-N 2.99Å; Q83-K86 VanDerWaalsContact O-CB 3.32Å; Q83-K86 WeakPolarHBondContact O-CB 3.31Å; Q83-K86 PolarHBondContact O-N 3.26Å; Q83-F183 HydrophobicContact CB-CZ 4.18Å; Q83-I187 HydrophobicContact CB-CD1 3.78Å; Q83-I187 HydrophobicContact CB-CG1 4.15Å; Q83-I187 HydrophobicContact CB-CG2 4.39Å; Q83-I187 HydrophobicContact CG-CD1 4.13Å
84V84.3Confident81.5Confident15 Ų1564.3 Ų64.39%0.09136%0.355CS..Hα-helixtrans-58.5-35176.7173.30000111.2I80 A81 K86 L87 L94 L95 A98 I187I80-V84 HydrophobicContact CG2-CG2 4.25Å; I80-V84 WeakPolarHBondContact O-CG2 3.43Å; I80-V84 PolarHBondContact O-N 3.08Å; A81-V84 PolarHBondContact O-N 3.02Å; V84-K86 PolarHBondContact O-N 3.37Å; V84-L87 WeakPolarHBondContact O-CB 3.42Å; V84-L87 PolarHBondContact O-N 3.28Å; V84-L94 HydrophobicContact CG2-CD2 3.94Å; V84-L94 HydrophobicContact CG2-CG 4.26Å; V84-L95 HydrophobicContact CG1-CD2 3.95Å; V84-A98 HydrophobicContact CG1-CB 3.94Å; V84-I187 HydrophobicContact CG2-CG2 3.95Å
85R84.8Confident82.2Confident161 Ų16164.7 Ų64.761%0.60835%0.354SS*.G310 helixtrans-59.5-26.5176.4-171.2175.3177.4-175.2-1.9113.6A81 Q83 L87 V88A81-R85 PolarHBondContact O-N 3.47Å; Q83-R85 PolarHBondContact O-N 2.99Å; R85-L87 PolarHBondContact O-N 3.21Å; R85-V88 HydrophobicContact CG-CG2 4.33Å; R85-V88 WeakPolarHBondContact O-CB 3.41Å; R85-V88 WeakPolarHBondContact O-CG2 3.43Å; R85-V88 PolarHBondContact O-N 2.99Å
86K86.8Confident82.7Confident129 Ų12963 Ų6356%0.56135%0.348SS*.G310 helixtrans-68.4-18.8176.5-62.2177.6177.5171.60112.8Q83 V84 V88 F183Q83-K86 VanDerWaalsContact O-CB 3.32Å; Q83-K86 WeakPolarHBondContact O-CB 3.31Å; Q83-K86 PolarHBondContact O-N 3.26Å; V84-K86 PolarHBondContact O-N 3.37Å; K86-V88 VanDerWaalsContact C-N 3.3Å; K86-F183 HydrophobicContact CB-CE1 4.03Å; K86-F183 HydrophobicContact CD-CE1 4.19Å; K86-F183 HydrophobicContact CD-CZ 4.07Å
87L85.9Confident83.2Confident1 Ų159.6 Ų59.61%0.00533%0.334CS..G310 helixtrans-81.9-10.3176.7-60.5170.6000112.5V84 R85 G89 T90 H92 L94 L95 D180 F183V84-L87 WeakPolarHBondContact O-CB 3.42Å; V84-L87 PolarHBondContact O-N 3.28Å; R85-L87 PolarHBondContact O-N 3.21Å; L87-G89 PolarHBondContact O-N 2.84Å; L87-T90 WeakPolarHBondContact O-CB 3.46Å; L87-T90 WeakPolarHBondContact O-CG2 3.42Å; L87-T90 PolarHBondContact O-N 3.38Å; L87-T90 PolarHBondContact O-OG1 3.49Å; L87-H92 HydrophobicContact CD1-CB 4.49Å; L87-L94 HydrophobicContact CD1-CB 4.48Å; L87-L94 HydrophobicContact CD1-CD2 3.93Å; L87-L95 HydrophobicContact CB-CD1 4.21Å; L87-L95 HydrophobicContact CB-CD2 4.03Å; L87-L95 HydrophobicContact CB-CG 4.07Å; L87-L95 WeakPolarHBondContact O-CD1 3.43Å; L87-D180 WeakPolarHBondContact CD2-O 3.33Å; L87-F183 HydrophobicContact CD2-CD1 3.73Å; L87-F183 HydrophobicContact CD2-CE1 4.43Å; L87-F183 HydrophobicContact CG-CD1 4.27Å
88V86.8Confident83.5Confident104 Ų10459.9 Ų59.963%0.6334%0.34SS*.THydrogen-bonded Turntrans-56.8123.3-177.6172.50000110.1R85 K86 L95R85-V88 HydrophobicContact CG-CG2 4.33Å; R85-V88 WeakPolarHBondContact O-CB 3.41Å; R85-V88 WeakPolarHBondContact O-CG2 3.43Å; R85-V88 PolarHBondContact O-N 2.99Å; K86-V88 VanDerWaalsContact C-N 3.3Å; V88-L95 HydrophobicContact CG2-CD2 4.26Å
89G82.9Confident83.6Confident81 Ų8164.9 Ų64.984%0.83535%0.35SS*.THydrogen-bonded Turntrans108.1-12.2-172.900000113.8L87L87-G89 PolarHBondContact O-N 2.84Å
90T88.3Confident83.3Confident18 Ų1861.5 Ų61.511%0.1134%0.336CS..SBendtrans-94.8169.8169.370.40000111.6L87 H92 L95 D180L87-T90 WeakPolarHBondContact O-CB 3.46Å; L87-T90 WeakPolarHBondContact O-CG2 3.42Å; L87-T90 PolarHBondContact O-N 3.38Å; L87-T90 PolarHBondContact O-OG1 3.49Å; T90-H92 VanDerWaalsContact C-N 3.34Å; T90-H92 WeakPolarHBondContact OG1-CB 3.46Å; T90-H92 PolarHBondContact OG1-N 3.09Å; T90-L95 WeakPolarHBondContact O-CD1 3.45Å; T90-D180 HydrophobicContact CG2-CB 3.73Å
91Q86Confident82.8Confident129 Ų12961.2 Ų61.260%0.60334%0.335SS*.  trans-98.124.3168.2-57.3-153.845.800112.5P93 S174 D175Q91-P93 WeakPolarHBondContact O-CD 3.32Å; Q91-S174 PolarHBondContact NE2-O 3.47Å; Q91-S174 VanDerWaalsContact NE2-O 3.13Å; Q91-D175 PolarHBondContact N-O 3.36Å
92H90.4Very high82.2Confident0 Ų061.5 Ų61.50%033%0.331CS..  trans-60.4124.8177.9-166.2-75.7000110.7L87 T90 L94 L95 G164 M181 G184 N185L87-H92 HydrophobicContact CD1-CB 4.49Å; T90-H92 VanDerWaalsContact C-N 3.34Å; T90-H92 WeakPolarHBondContact OG1-CB 3.46Å; T90-H92 PolarHBondContact OG1-N 3.09Å; H92-L94 WeakPolarHBondContact ND1-CB 3.47Å; H92-L94 PolarHBondContact ND1-N 3.17Å; H92-L94 VanDerWaalsContact ND1-N 3.18Å; H92-L94 PolarHBondContact O-N 3.42Å; H92-L95 WeakPolarHBondContact O-CB 3.42Å; H92-L95 PolarHBondContact O-N 3.44Å; H92-G164 PolarHBondContact CE1-O 3.39Å; H92-M181 HydrophobicContact CB-CE 4.09Å; H92-M181 HydrophobicContact CB-SD 4.02Å; H92-G184 VanDerWaalsContact CE1-C 3.41Å; H92-G184 WeakPolarHBondContact NE2-CA 3.33Å; H92-N185 PolarHBondContact NE2-N 2.95Å; H92-N185 VanDerWaalsContact NE2-N 3.15Å; H92-N185 PolarHBondContact NE2-OD1 3.06Å
93P87.6Confident80.9Confident43 Ų4361.4 Ų61.428%0.27933%0.329SS..Hα-helixtrans-57.9-28.8-173.7-26.834.3000114.4Q91 L95 T96 T97 G164 V166Q91-P93 WeakPolarHBondContact O-CD 3.32Å; P93-L95 PolarHBondContact O-N 3.16Å; P93-L95 VanDerWaalsContact O-N 3.11Å; P93-T96 WeakPolarHBondContact O-CA 3.45Å; P93-T96 VanDerWaalsContact O-CB 3.31Å; P93-T96 WeakPolarHBondContact O-CB 3.48Å; P93-T96 PolarHBondContact O-N 3.19Å; P93-T97 PolarHBondContact O-N 3.12Å; P93-T97 PolarHBondContact O-OG1 3.38Å; P93-G164 WeakPolarHBondContact CB-O 3.4Å; P93-V166 HydrophobicContact CG-CG1 3.47Å; P93-V166 VanDerWaalsContact CG-CG1 3.47Å
94L86.6Confident79.3Confident6 Ų661.6 Ų61.63%0.03133%0.331CS..Hα-helixtrans-50.7-33.1172.8-171.861.7000113.6V84 L87 H92 T97 A98 V161 I187 A188V84-L94 HydrophobicContact CG2-CD2 3.94Å; V84-L94 HydrophobicContact CG2-CG 4.26Å; L87-L94 HydrophobicContact CD1-CB 4.48Å; L87-L94 HydrophobicContact CD1-CD2 3.93Å; H92-L94 WeakPolarHBondContact ND1-CB 3.47Å; H92-L94 PolarHBondContact ND1-N 3.17Å; H92-L94 VanDerWaalsContact ND1-N 3.18Å; H92-L94 PolarHBondContact O-N 3.42Å; L94-T97 PolarHBondContact O-N 3.42Å; L94-A98 VanDerWaalsContact O-CB 3.27Å; L94-A98 WeakPolarHBondContact O-CB 3.48Å; L94-A98 PolarHBondContact O-N 3.4Å; L94-V161 HydrophobicContact CD1-CG1 3.87Å; L94-V161 HydrophobicContact CD1-CG2 4.45Å; L94-I187 HydrophobicContact CD2-CB 3.97Å; L94-I187 HydrophobicContact CD2-CG2 3.74Å; L94-A188 HydrophobicContact CD1-CB 4.21Å; L94-A188 HydrophobicContact CD2-CB 4.2Å
95L84.4Confident77.4Confident38 Ų3863.4 Ų63.420%0.19935%0.345CS..Hα-helixtrans-66.9-39.8174.6-71.8173.1000112V84 L87 V88 T90 H92 P93 A98 R99V84-L95 HydrophobicContact CG1-CD2 3.95Å; L87-L95 HydrophobicContact CB-CD1 4.21Å; L87-L95 HydrophobicContact CB-CD2 4.03Å; L87-L95 HydrophobicContact CB-CG 4.07Å; L87-L95 WeakPolarHBondContact O-CD1 3.43Å; V88-L95 HydrophobicContact CG2-CD2 4.26Å; T90-L95 WeakPolarHBondContact O-CD1 3.45Å; H92-L95 WeakPolarHBondContact O-CB 3.42Å; H92-L95 PolarHBondContact O-N 3.44Å; P93-L95 PolarHBondContact O-N 3.16Å; P93-L95 VanDerWaalsContact O-N 3.11Å; L95-A98 PolarHBondContact O-N 2.95Å; L95-R99 VanDerWaalsContact O-CB 3.24Å; L95-R99 WeakPolarHBondContact O-CB 3.39Å; L95-R99 PolarHBondContact O-N 2.91Å
96T83.3Confident75.5Confident85 Ų8565.2 Ų65.252%0.52135%0.352SS..Hα-helixtrans-65.8-43.8175.7-56.80000110P93 R99 G100P93-T96 WeakPolarHBondContact O-CA 3.45Å; P93-T96 VanDerWaalsContact O-CB 3.31Å; P93-T96 WeakPolarHBondContact O-CB 3.48Å; P93-T96 PolarHBondContact O-N 3.19Å; T96-R99 PolarHBondContact O-N 3.24Å; T96-G100 PolarHBondContact O-N 3.41Å
97T80.8Confident73.4Confident27 Ų2762 Ų6217%0.16634%0.341CS..Hα-helixtrans-60.7-48.3174.7-52.50000111.4P93 L94 R99 G100 L101 L160 V161P93-T97 PolarHBondContact O-N 3.12Å; P93-T97 PolarHBondContact O-OG1 3.38Å; L94-T97 PolarHBondContact O-N 3.42Å; T97-R99 VanDerWaalsContact C-N 3.35Å; T97-R99 PolarHBondContact O-N 2.87Å; T97-G100 PolarHBondContact O-N 3.08Å; T97-G100 VanDerWaalsContact O-N 3.17Å; T97-L101 HydrophobicContact CG2-CD1 4.21Å; T97-L101 WeakPolarHBondContact O-CG 3.33Å; T97-L101 PolarHBondContact O-N 3.13Å; T97-L160 HydrophobicContact CG2-CB 4.04Å; T97-V161 HydrophobicContact CG2-CG2 3.91Å
98A78.4Confident71.7Confident28 Ų2864.8 Ų64.823%0.23136%0.361CS..Hα-helixtrans-63.4-39177.300000112.4V84 L94 L95 L101 V102V84-A98 HydrophobicContact CG1-CB 3.94Å; L94-A98 VanDerWaalsContact O-CB 3.27Å; L94-A98 WeakPolarHBondContact O-CB 3.48Å; L94-A98 PolarHBondContact O-N 3.4Å; L95-A98 PolarHBondContact O-N 2.95Å; A98-L101 WeakPolarHBondContact O-CB 3.33Å; A98-L101 PolarHBondContact O-N 3.34Å; A98-V102 WeakPolarHBondContact O-CG2 3.46Å; A98-V102 PolarHBondContact O-N 3.44Å; A98-V102 VanDerWaalsContact O-N 3.09Å
99R76.9Confident69.9Low158 Ų15860.9 Ų60.960%0.59634%0.336SS*.Hα-helixtrans-65.3-41.1173.6-174178.665.7-172.5-2.4110.9L95 T96 T97 L101 V102 H103L95-R99 VanDerWaalsContact O-CB 3.24Å; L95-R99 WeakPolarHBondContact O-CB 3.39Å; L95-R99 PolarHBondContact O-N 2.91Å; T96-R99 PolarHBondContact O-N 3.24Å; T97-R99 VanDerWaalsContact C-N 3.35Å; T97-R99 PolarHBondContact O-N 2.87Å; R99-L101 VanDerWaalsContact C-N 3.32Å; R99-V102 PolarHBondContact O-N 3.09Å; R99-H103 HydrophobicContact CG-CB 4.33Å; R99-H103 WeakPolarHBondContact O-CB 3.35Å; R99-H103 PolarHBondContact O-N 2.87Å
100G71.2Confident68.9Low17 Ų1757.9 Ų57.918%0.17530%0.3CS..Hα-helixtrans-57.9-45.2173.200000111.8T96 T97 V102 D104T96-G100 PolarHBondContact O-N 3.41Å; T97-G100 PolarHBondContact O-N 3.08Å; T97-G100 VanDerWaalsContact O-N 3.17Å; G100-V102 VanDerWaalsContact C-N 3.31Å; G100-V102 PolarHBondContact O-N 3.3Å; G100-D104 WeakPolarHBondContact O-CA 3.22Å; G100-D104 WeakPolarHBondContact O-CB 3.13Å; G100-D104 PolarHBondContact O-N 3.21Å
101L69Low68.5Low28 Ų2857.6 Ų57.615%0.14730%0.298CS..Hα-helixtrans-58.8-37.7175.7-76.5159.9000113.7T97 A98 R99 L109 T157T97-L101 HydrophobicContact CG2-CD1 4.21Å; T97-L101 WeakPolarHBondContact O-CG 3.33Å; T97-L101 PolarHBondContact O-N 3.13Å; A98-L101 WeakPolarHBondContact O-CB 3.33Å; A98-L101 PolarHBondContact O-N 3.34Å; R99-L101 VanDerWaalsContact C-N 3.32Å; L101-L109 HydrophobicContact CB-CD2 4.32Å; L101-L109 HydrophobicContact CD2-CD2 3.24Å; L101-L109 HydrophobicContact CG-CD2 3.85Å; L101-T157 HydrophobicContact CD1-CG2 3.91Å; L101-T157 HydrophobicContact CD2-CG2 3.44Å; L101-T157 VanDerWaalsContact CD2-CG2 3.44Å; L101-T157 HydrophobicContact CG-CG2 4.26Å
102V64.8Low68.7Low62 Ų6253.1 Ų53.138%0.37628%0.275SS..Hα-helixtrans-93.3-44-174.1175.70000113.1L3 L72 A98 R99 G100L3-V102 HydrophobicContact CD1-CG1 4.38Å; L72-V102 HydrophobicContact CD1-CG2 4.45Å; A98-V102 WeakPolarHBondContact O-CG2 3.46Å; A98-V102 PolarHBondContact O-N 3.44Å; A98-V102 VanDerWaalsContact O-N 3.09Å; R99-V102 PolarHBondContact O-N 3.09Å; G100-V102 VanDerWaalsContact C-N 3.31Å; G100-V102 PolarHBondContact O-N 3.3Å
103H55.7Low68.7Low105 Ų10553.1 Ų53.149%0.48628%0.276SS..Hα-helixtrans-93.8-25.8-174.1-79.264.6000113.3R99 S105R99-H103 HydrophobicContact CG-CB 4.33Å; R99-H103 WeakPolarHBondContact O-CB 3.35Å; R99-H103 PolarHBondContact O-N 2.87Å; H103-S105 VanDerWaalsContact C-N 3.31Å; H103-S105 PolarHBondContact O-N 2.96Å
104D51.3Low68.9Low58 Ų5851.2 Ų51.231%0.3126%0.263SS..  trans-97.426.4-174.5-119.1-2.5000112.8G100 R106 N107G100-D104 WeakPolarHBondContact O-CA 3.22Å; G100-D104 WeakPolarHBondContact O-CB 3.13Å; G100-D104 PolarHBondContact O-N 3.21Å; D104-R106 PolarHBondContact O-N 2.73Å; D104-N107 WeakPolarHBondContact CB-O 3.35Å; D104-N107 VanDerWaalsContact CG-O 3.23Å; D104-N107 CarbonylContact O-C 3.49Å; D104-N107 PolarHBondContact O-N 3.01Å; D104-N107 VanDerWaalsContact O-N 3.08Å; D104-N107 VanDerWaalsContact OD1-CB 3.26Å; D104-N107 WeakPolarHBondContact OD1-CB 3.47Å; D104-N107 PolarHBondContact OD1-ND2 3.25Å
105S44.6Very low69.3Low54 Ų5450.9 Ų50.938%0.37826%0.262SS..THydrogen-bonded Turntrans-56.4-3.8161.656.30000113.6H103H103-S105 VanDerWaalsContact C-N 3.31Å; H103-S105 PolarHBondContact O-N 2.96Å
106R43.1Very low69.9Low199 Ų19949.1 Ų49.175%0.75125%0.252SS*.THydrogen-bonded Turntrans-116.8-15.4175.6-67.7-175.8179.2-174.1-1.9114.9N50 D104N50-R106 PolarHBondContact OD1-O 3.12Å; D104-R106 PolarHBondContact O-N 2.73Å
107N44.1Very low70.4Confident60 Ų6045.3 Ų45.332%0.32123%0.229SC..THydrogen-bonded Turntrans-131.3122.2171.7-43.1-80000110.3N50 D104 L109N50-N107 VanDerWaalsContact CG-OD1 3.23Å; N50-N107 PolarHBondContact ND2-OD1 3.37Å; N50-N107 PolarHBondContact OD1-OD1 2.97Å; D104-N107 WeakPolarHBondContact CB-O 3.35Å; D104-N107 VanDerWaalsContact CG-O 3.23Å; D104-N107 CarbonylContact O-C 3.49Å; D104-N107 PolarHBondContact O-N 3.01Å; D104-N107 VanDerWaalsContact O-N 3.08Å; D104-N107 VanDerWaalsContact OD1-CB 3.26Å; D104-N107 WeakPolarHBondContact OD1-CB 3.47Å; D104-N107 PolarHBondContact OD1-ND2 3.25Å; N107-L109 PolarHBondContact O-N 3.17Å
108S49.7Very low71.2Confident61 Ų6144 Ų4443%0.42722%0.221SC..THydrogen-bonded Turntrans75.5-21.9157.1-169.80000119.7
109L48.3Very low72.1Confident22 Ų2242.7 Ų42.712%0.11521%0.21CC..THydrogen-bonded Turntrans-77.9-29.2-168.2-145.284.9000114.9L101 N107 L160L101-L109 HydrophobicContact CB-CD2 4.32Å; L101-L109 HydrophobicContact CD2-CD2 3.24Å; L101-L109 HydrophobicContact CG-CD2 3.85Å; N107-L109 PolarHBondContact O-N 3.17Å; L109-L160 HydrophobicContact CD1-CD1 3.79Å
110Q62.8Low73Confident17 Ų1735.2 Ų35.28%0.07918%0.182CC..THydrogen-bonded Turntrans-112.418.4-172-60.7179.1-30.800114.5T64 S65 S68 R112 G113 L114 E153T64-Q110 VanDerWaalsContact O-CD 3.28Å; T64-Q110 PolarHBondContact O-NE2 3.17Å; T64-Q110 PolarHBondContact O-OE1 3.48Å; T64-Q110 PolarHBondContact OG1-OE1 3.41Å; S65-Q110 VanDerWaalsContact CA-OE1 3.26Å; S68-Q110 VanDerWaalsContact CB-NE2 3.26Å; S68-Q110 PolarHBondContact OG-NE2 2.92Å; Q110-R112 PolarHBondContact O-N 3.26Å; Q110-G113 PolarHBondContact O-N 2.66Å; Q110-L114 WeakPolarHBondContact O-CB 3.41Å; Q110-L114 PolarHBondContact O-N 3.32Å; Q110-E153 VanDerWaalsContact CA-OE1 3.26Å; Q110-E153 WeakPolarHBondContact CA-OE1 3.38Å
111L79Confident74.1Confident12 Ų1236.8 Ų36.86%0.06318%0.184CC..Hα-helixtrans-60-31.6-176.1-175.664.7000111.5W49 V115 M287 I391W49-L111 HydrophobicContact CH2-CD1 4.06Å; W49-L111 HydrophobicContact CH2-CD2 4.06Å; W49-L111 HydrophobicContact CZ2-CD1 4.02Å; W49-L111 HydrophobicContact CZ2-CD2 4.01Å; L111-V115 HydrophobicContact CD1-CG2 4.25Å; L111-V115 HydrophobicContact CG-CG2 4.37Å; L111-V115 VanDerWaalsContact O-CB 3.25Å; L111-V115 WeakPolarHBondContact O-CB 3.42Å; L111-V115 WeakPolarHBondContact O-CG2 3.48Å; L111-V115 PolarHBondContact O-N 3.25Å; L111-M287 HydrophobicContact CD1-CE 4.46Å; L111-M287 HydrophobicContact CD2-CE 3.68Å; L111-M287 HydrophobicContact CD2-SD 4.49Å; L111-M287 HydrophobicContact CG-CE 4.34Å; L111-I391 HydrophobicContact CD1-CG2 4.28Å
112R89.9Confident75.5Confident35 Ų3535.5 Ų35.513%0.13218%0.177CC..Hα-helixtrans-73.4-49.2-176.4-61.5172.9172.669.40.3110.6Q110 L114 V115 V116 T152 E153 H156 L259Q110-R112 PolarHBondContact O-N 3.26Å; R112-L114 VanDerWaalsContact C-N 3.34Å; R112-L114 PolarHBondContact O-N 3.45Å; R112-V115 PolarHBondContact O-N 3.03Å; R112-V116 WeakPolarHBondContact O-CB 3.41Å; R112-V116 VanDerWaalsContact O-CG2 3.23Å; R112-V116 WeakPolarHBondContact O-CG2 3.44Å; R112-V116 PolarHBondContact O-N 3.36Å; R112-T152 HydrophobicContact CB-CG2 3.84Å; R112-E153 WeakPolarHBondContact CA-OE1 3.47Å; R112-E153 VanDerWaalsContact CB-OE1 3.25Å; R112-E153 WeakPolarHBondContact CB-OE1 3.46Å; R112-E153 PolarHBondContact N-OE1 3.41Å; R112-H156 PolarHBondContact NH1-CD2 3.32Å; R112-H156 PolarHBondContact NH1-CE1 3.21Å; R112-H156 PolarHBondContact NH1-NE2 2.87Å; R112-H156 PolarHBondContact NH2-CE1 3.46Å; R112-L259 HydrophobicContact CB-CD1 3.92Å; R112-L259 HydrophobicContact CG-CD1 4.13Å
113G90.7Very high76.9Confident1 Ų133.1 Ų33.11%0.0116%0.164CC..Hα-helixtrans-59.4-45.3174.900000111.3Q110 V115 V116 L117 E153Q110-G113 PolarHBondContact O-N 2.66Å; G113-V115 PolarHBondContact O-N 3.47Å; G113-V116 PolarHBondContact O-N 3.26Å; G113-L117 VanDerWaalsContact O-CG 3.29Å; G113-L117 WeakPolarHBondContact O-CG 3.28Å; G113-L117 PolarHBondContact O-N 3.49Å; G113-E153 PolarHBondContact N-OE1 3.25Å
114L91.5Very high78.6Confident2 Ų228.9 Ų28.91%0.0115%0.148CC..Hα-helixtrans-60.4-46.1176.7-179.758.5000112.1V53 A56 E57 V60 T64 Q110 R112 V116 L117 L118V53-L114 HydrophobicContact CG1-CD2 4.01Å; A56-L114 HydrophobicContact CB-CD1 4.35Å; A56-L114 HydrophobicContact CB-CD2 3.88Å; A56-L114 HydrophobicContact CB-CG 4.38Å; E57-L114 HydrophobicContact CG-CD1 4.28Å; E57-L114 HydrophobicContact CG-CD2 4.13Å; V60-L114 HydrophobicContact CG1-CD1 4.32Å; V60-L114 HydrophobicContact CG2-CD1 3.87Å; T64-L114 HydrophobicContact CG2-CB 4.12Å; T64-L114 HydrophobicContact CG2-CD1 4.46Å; Q110-L114 WeakPolarHBondContact O-CB 3.41Å; Q110-L114 PolarHBondContact O-N 3.32Å; R112-L114 VanDerWaalsContact C-N 3.34Å; R112-L114 PolarHBondContact O-N 3.45Å; L114-V116 VanDerWaalsContact C-N 3.34Å; L114-V116 PolarHBondContact O-N 3.48Å; L114-L117 PolarHBondContact O-N 2.94Å; L114-L118 HydrophobicContact CD1-CD1 4.31Å; L114-L118 HydrophobicContact CD1-CG 4.22Å; L114-L118 HydrophobicContact CG-CD1 4.1Å; L114-L118 HydrophobicContact CG-CG 4.46Å; L114-L118 WeakPolarHBondContact O-CB 3.49Å; L114-L118 WeakPolarHBondContact O-CG 3.42Å; L114-L118 PolarHBondContact O-N 3.13Å
115V95.5Very high80.4Confident0 Ų029.9 Ų29.90%016%0.158CC..Hα-helixtrans-61.2-42.8175.7161.80000111.3L111 R112 G113 L117 L118 I119 L259 Y283 L388L111-V115 HydrophobicContact CD1-CG2 4.25Å; L111-V115 HydrophobicContact CG-CG2 4.37Å; L111-V115 VanDerWaalsContact O-CB 3.25Å; L111-V115 WeakPolarHBondContact O-CB 3.42Å; L111-V115 WeakPolarHBondContact O-CG2 3.48Å; L111-V115 PolarHBondContact O-N 3.25Å; R112-V115 PolarHBondContact O-N 3.03Å; G113-V115 PolarHBondContact O-N 3.47Å; V115-L117 VanDerWaalsContact C-N 3.32Å; V115-L117 PolarHBondContact O-N 3.43Å; V115-L118 PolarHBondContact O-N 3.28Å; V115-I119 WeakPolarHBondContact O-CB 3.33Å; V115-I119 WeakPolarHBondContact O-CG2 3.49Å; V115-I119 PolarHBondContact O-N 3.4Å; V115-L259 HydrophobicContact CB-CD1 4.04Å; V115-L259 HydrophobicContact CG1-CD1 3.73Å; V115-L259 HydrophobicContact CG1-CD2 4.28Å; V115-L259 HydrophobicContact CG1-CG 4.32Å; V115-Y283 HydrophobicContact CG1-CD1 4.28Å; V115-Y283 HydrophobicContact CG1-CE1 3.64Å; V115-L388 HydrophobicContact CG1-CD2 4.37Å; V115-L388 HydrophobicContact CG2-CD2 4.45Å
116V96.4Very high82.2Confident0 Ų028.1 Ų28.10%015%0.146CC..Hα-helixtrans-60.8-41.2176.2170.30000111.2R112 G113 L114 I119 S120 L148 A149 L259 A266R112-V116 WeakPolarHBondContact O-CB 3.41Å; R112-V116 VanDerWaalsContact O-CG2 3.23Å; R112-V116 WeakPolarHBondContact O-CG2 3.44Å; R112-V116 PolarHBondContact O-N 3.36Å; G113-V116 PolarHBondContact O-N 3.26Å; L114-V116 VanDerWaalsContact C-N 3.34Å; L114-V116 PolarHBondContact O-N 3.48Å; V116-I119 WeakPolarHBondContact O-CG2 3.18Å; V116-S120 VanDerWaalsContact O-CB 3.31Å; V116-S120 WeakPolarHBondContact O-CB 3.47Å; V116-S120 PolarHBondContact O-N 3.26Å; V116-S120 VanDerWaalsContact O-N 3.09Å; V116-S120 PolarHBondContact O-OG 3.36Å; V116-L148 HydrophobicContact CG1-CD2 4.5Å; V116-A149 HydrophobicContact CB-CB 4.16Å; V116-A149 HydrophobicContact CG1-CB 3.93Å; V116-L259 HydrophobicContact CG2-CD1 4.42Å; V116-A266 HydrophobicContact CG1-CB 4.1Å
117L95.1Very high83.5Confident5 Ų524.4 Ų24.43%0.02615%0.151CC..Hα-helixtrans-68.4-42.8176.4-67.9174.6000112.4V60 T64 G113 L114 V115 S120 K121 I141 R146 A149V60-L117 HydrophobicContact CB-CB 4.12Å; V60-L117 HydrophobicContact CB-CD1 4.37Å; V60-L117 HydrophobicContact CG1-CB 3.7Å; V60-L117 HydrophobicContact CG2-CD1 4.18Å; T64-L117 HydrophobicContact CG2-CD1 3.87Å; G113-L117 VanDerWaalsContact O-CG 3.29Å; G113-L117 WeakPolarHBondContact O-CG 3.28Å; G113-L117 PolarHBondContact O-N 3.49Å; L114-L117 PolarHBondContact O-N 2.94Å; V115-L117 VanDerWaalsContact C-N 3.32Å; V115-L117 PolarHBondContact O-N 3.43Å; L117-S120 WeakPolarHBondContact O-CB 3.42Å; L117-S120 PolarHBondContact O-N 3.38Å; L117-K121 WeakPolarHBondContact O-CB 3.16Å; L117-K121 PolarHBondContact O-N 2.9Å; L117-I141 HydrophobicContact CB-CD1 4.11Å; L117-I141 HydrophobicContact CD2-CD1 4.23Å; L117-I141 HydrophobicContact CD2-CG2 4.15Å; L117-I141 WeakPolarHBondContact O-CD1 3.38Å; L117-R146 HydrophobicContact CD2-CB 4.33Å; L117-R146 HydrophobicContact CD2-CG 3.79Å; L117-A149 HydrophobicContact CD1-CB 4.44Å; L117-A149 HydrophobicContact CD2-CB 3.84Å; L117-A149 HydrophobicContact CG-CB 3.78Å
118L96.1Very high84.4Confident0 Ų026.5 Ų26.50%017%0.165CC..Hα-helixtrans-65.8-45.2178.9-76.9173.4000111.8A56 I59 V60 L114 V115 S120 K121 A122 A384 A387 L388 I391A56-L118 HydrophobicContact CB-CD1 3.98Å; I59-L118 HydrophobicContact CB-CD2 4.39Å; I59-L118 HydrophobicContact CG2-CD2 4.1Å; V60-L118 HydrophobicContact CG1-CD2 3.7Å; V60-L118 HydrophobicContact CG1-CG 3.94Å; L114-L118 HydrophobicContact CD1-CD1 4.31Å; L114-L118 HydrophobicContact CD1-CG 4.22Å; L114-L118 HydrophobicContact CG-CD1 4.1Å; L114-L118 HydrophobicContact CG-CG 4.46Å; L114-L118 WeakPolarHBondContact O-CB 3.49Å; L114-L118 WeakPolarHBondContact O-CG 3.42Å; L114-L118 PolarHBondContact O-N 3.13Å; V115-L118 PolarHBondContact O-N 3.28Å; L118-S120 VanDerWaalsContact C-N 3.29Å; L118-S120 PolarHBondContact O-N 3.48Å; L118-K121 PolarHBondContact O-N 3.5Å; L118-A122 VanDerWaalsContact O-CB 3.3Å; L118-A122 WeakPolarHBondContact O-CB 3.44Å; L118-A122 PolarHBondContact O-N 2.86Å; L118-A384 HydrophobicContact CD2-CB 4.32Å; L118-A387 HydrophobicContact CD1-CB 4.26Å; L118-A387 HydrophobicContact CD2-CB 3.93Å; L118-L388 HydrophobicContact CB-CD1 4.17Å; L118-L388 HydrophobicContact CB-CD2 3.51Å; L118-L388 HydrophobicContact CB-CG 3.76Å; L118-L388 HydrophobicContact CD1-CD2 3.78Å; L118-L388 HydrophobicContact CD1-CG 4.19Å; L118-L388 HydrophobicContact CG-CD2 4.34Å; L118-I391 HydrophobicContact CD1-CD1 3.66Å
119I97.6Very high84.6Confident0 Ų027.6 Ų27.60%017%0.166CC..Hα-helixtrans-65-37177.5-160.872.4000110.7V115 V116 K121 A122 A123 C263 M267 A280 Y283 L376 F379 L388V115-I119 WeakPolarHBondContact O-CB 3.33Å; V115-I119 WeakPolarHBondContact O-CG2 3.49Å; V115-I119 PolarHBondContact O-N 3.4Å; V116-I119 WeakPolarHBondContact O-CG2 3.18Å; I119-K121 PolarHBondContact O-N 3.09Å; I119-A122 PolarHBondContact O-N 2.68Å; I119-A123 WeakPolarHBondContact O-CB 3.45Å; I119-A123 PolarHBondContact O-N 3.46Å; I119-C263 HydrophobicContact CG2-CB 4.23Å; I119-M267 HydrophobicContact CG1-CE 4.47Å; I119-M267 HydrophobicContact CG2-CE 4.33Å; I119-A280 HydrophobicContact CG1-CB 4.19Å; I119-Y283 HydrophobicContact CD1-CD1 4.19Å; I119-Y283 HydrophobicContact CD1-CG 4.38Å; I119-L376 HydrophobicContact CD1-CD2 3.81Å; I119-F379 HydrophobicContact CD1-CD1 4.33Å; I119-F379 HydrophobicContact CD1-CD2 4.31Å; I119-F379 HydrophobicContact CD1-CE1 3.96Å; I119-F379 HydrophobicContact CD1-CE2 3.91Å; I119-F379 HydrophobicContact CD1-CZ 3.73Å; I119-F379 HydrophobicContact CG1-CE1 4.12Å; I119-F379 HydrophobicContact CG1-CZ 4.09Å; I119-L388 HydrophobicContact CB-CD1 4.27Å; I119-L388 HydrophobicContact CD1-CD1 3.75Å
120S96.3Very high84.7Confident1 Ų132.6 Ų32.61%0.00720%0.198CC..Hα-helixtrans-58.7-47.5172.4-61.40000111.8V116 L117 L118 G124 Q145V116-S120 VanDerWaalsContact O-CB 3.31Å; V116-S120 WeakPolarHBondContact O-CB 3.47Å; V116-S120 PolarHBondContact O-N 3.26Å; V116-S120 VanDerWaalsContact O-N 3.09Å; V116-S120 PolarHBondContact O-OG 3.36Å; L117-S120 WeakPolarHBondContact O-CB 3.42Å; L117-S120 PolarHBondContact O-N 3.38Å; L118-S120 VanDerWaalsContact C-N 3.29Å; L118-S120 PolarHBondContact O-N 3.48Å; S120-G124 PolarHBondContact O-N 2.88Å; S120-Q145 PolarHBondContact OG-NE2 3.38Å
121K95.5Very high84.1Confident50 Ų5035.2 Ų35.222%0.21722%0.218CC..Hα-helixtrans-70-36.3179.7-167.3179.7172.8106.40112.6I59 L117 L118 I119 G124 S139 I141 A384I59-K121 HydrophobicContact CG2-CD 3.83Å; I59-K121 WeakPolarHBondContact O-CD 3.25Å; I59-K121 WeakPolarHBondContact O-CE 3.29Å; I59-K121 PolarHBondContact O-NZ 3.5Å; L117-K121 WeakPolarHBondContact O-CB 3.16Å; L117-K121 PolarHBondContact O-N 2.9Å; L118-K121 PolarHBondContact O-N 3.5Å; I119-K121 PolarHBondContact O-N 3.09Å; K121-G124 PolarHBondContact O-N 3.25Å; K121-S139 PolarHBondContact NZ-O 3.35Å; K121-S139 PolarHBondContact NZ-OG 3.35Å; K121-I141 HydrophobicContact CB-CD1 4.01Å; K121-I141 HydrophobicContact CB-CG1 3.76Å; K121-I141 HydrophobicContact CG-CG1 4.23Å; K121-A384 HydrophobicContact CB-CB 3.84Å; K121-A384 HydrophobicContact CD-CB 4Å; K121-A384 HydrophobicContact CG-CB 3.93Å
122A96.9Very high82.7Confident2 Ų235.5 Ų35.52%0.01722%0.221CC..Hα-helixtrans-67.5-38.7178.200000111.7L118 I119 F379 P380 A384 R385 L388L118-A122 VanDerWaalsContact O-CB 3.3Å; L118-A122 WeakPolarHBondContact O-CB 3.44Å; L118-A122 PolarHBondContact O-N 2.86Å; I119-A122 PolarHBondContact O-N 2.68Å; A122-F379 HydrophobicContact CB-CB 4.49Å; A122-P380 VanDerWaalsContact O-CD 3.3Å; A122-P380 WeakPolarHBondContact O-CD 3.43Å; A122-P380 VanDerWaalsContact O-CG 3.28Å; A122-P380 WeakPolarHBondContact O-CG 3.46Å; A122-A384 HydrophobicContact CB-CB 4Å; A122-R385 HydrophobicContact CB-CB 4.25Å; A122-L388 HydrophobicContact CB-CD1 4.18Å
123A95.4Very high80.8Confident12 Ų1241.5 Ų41.510%0.09925%0.251CS..Hα-helixtrans-69.2-33.917500000113I119 M267 F379I119-A123 WeakPolarHBondContact O-CB 3.45Å; I119-A123 PolarHBondContact O-N 3.46Å; A123-M267 HydrophobicContact CB-CE 3.67Å; A123-M267 HydrophobicContact CB-SD 3.38Å; A123-M267 WeakPolarHBondContact CB-SD 3.26Å; A123-F379 HydrophobicContact CB-CD1 3.78Å; A123-F379 HydrophobicContact CB-CE1 3.84Å
124G91.8Very high79Confident15 Ų1548.5 Ų48.516%0.15529%0.288CS..  trans65.4-168.4-175.100000112.7S120 K121 H272S120-G124 PolarHBondContact O-N 2.88Å; K121-G124 PolarHBondContact O-N 3.25Å; G124-H272 PolarHBondContact O-CE1 2.99Å; G124-H272 PolarHBondContact O-NE2 3.24Å
125P87.8Confident77.7Confident79 Ų7953 Ų5351%0.51331%0.305SS..SBendtrans-70.9143.1177.829.3-33.3000111.5S127P125-S127 PolarHBondContact O-N 3.31Å
126S83.6Confident76.7Confident18 Ų1859.5 Ų59.513%0.12634%0.34CS..  trans-63.5133.9173.3173.10000110.8V128 A270 K271S126-V128 PolarHBondContact O-N 3.06Å; S126-V128 PolarHBondContact OG-N 3.31Å; S126-A270 VanDerWaalsContact CB-O 3.24Å; S126-A270 WeakPolarHBondContact CB-O 3.41Å; S126-K271 WeakPolarHBondContact CB-O 3.45Å; S126-K271 PolarHBondContact OG-O 2.94Å
127S70.3Confident76Confident121 Ų12164 Ų6485%0.84636%0.362SS*.THydrogen-bonded Turntrans-70.1-16.4178.658.10000113.1P125P125-S127 PolarHBondContact O-N 3.31Å
128V62.8Low75.3Confident103 Ų10368.1 Ų68.162%0.62439%0.387SS*.THydrogen-bonded Turntrans-93.2-10.4-163.6-175.40000113.5S126S126-V128 PolarHBondContact O-N 3.06Å; S126-V128 PolarHBondContact OG-N 3.31Å
129N53Low74.7Confident85 Ų8570.7 Ų70.746%0.45541%0.405SS..  trans-148.3105.1-178.7-90.5-49.1000114.7S131N129-S131 PolarHBondContact O-N 3.01Å
130T50.5Low74.1Confident127 Ų12772 Ų7278%0.77942%0.418SS*.THydrogen-bonded Turntrans-65.1-3.6169.9-28.40000113.3Q133T130-Q133 WeakPolarHBondContact O-CG 3.36Å; T130-Q133 PolarHBondContact O-NE2 3.48Å
131S50.5Low73.9Confident72 Ų7271.9 Ų71.950%0.50342%0.418SS..THydrogen-bonded Turntrans-92.71.3-175.559.10000114.8N129 Q133N129-S131 PolarHBondContact O-N 3.01Å; S131-Q133 PolarHBondContact O-N 3.28Å
132C50.5Low73.7Confident18 Ų1870.6 Ų70.612%0.12241%0.412CS..  trans-73.729.7169.9-107.20000113.3N134C132-N134 PolarHBondContact O-N 2.97Å; C132-N134 VanDerWaalsContact O-N 3.16Å
133Q49.6Very low73.3Confident161 Ų16172.8 Ų72.875%0.75243%0.427SS*.THydrogen-bonded Turntrans-70.7-3.5-176.8-72.4-179.3-2.500114.4T130 S131T130-Q133 WeakPolarHBondContact O-CG 3.36Å; T130-Q133 PolarHBondContact O-NE2 3.48Å; S131-Q133 PolarHBondContact O-N 3.28Å
134N53.3Low73.2Confident147 Ų14772.6 Ų72.679%0.78643%0.425SS*.THydrogen-bonded Turntrans-95.9-1.2-175.2-70.4-11.8000114.8C132C132-N134 PolarHBondContact O-N 2.97Å; C132-N134 VanDerWaalsContact O-N 3.16Å
135Y63.3Low73.3Confident96 Ų9671.9 Ų71.938%0.37642%0.418SS..SBendtrans-118.9115.5178-65.4-79.2000110.6M137 C144Y135-M137 PolarHBondContact O-N 2.92Å; Y135-C144 HydrophobicContact CD1-CB 4.24Å; Y135-C144 HydrophobicContact CE1-CB 4.2Å
136D75Confident73.4Confident137 Ų13769.9 Ų69.973%0.73340%0.4SS*.  trans-58.8120.2175-74.7-24.6000110.2S143D136-S143 PolarHBondContact O-N 3.33Å
137M81.2Confident73.8Confident95 Ų9571.2 Ų71.247%0.46841%0.409SS..EExtended strand (participates in β ladder)trans-94120.2174-169.317865.200108.9Y135 G140 I141 Y142Y135-M137 PolarHBondContact O-N 2.92Å; M137-G140 VanDerWaalsContact SD-CA 3.57Å; M137-I141 WeakPolarHBondContact CA-O 3.34Å; M137-I141 WeakPolarHBondContact CG-O 3.23Å; M137-Y142 HydrophobicContact CB-CD1 4.41Å
138V80.3Confident75Confident91 Ų9165.5 Ų65.555%0.55237%0.369SS*.EExtended strand (participates in β ladder)trans-110.5133.7171.8179.80000107G140 I141 R146V138-G140 PolarHBondContact O-N 3.38Å; V138-I141 PolarHBondContact N-O 2.89Å; V138-I141 VanDerWaalsContact N-O 3.12Å; V138-I141 PolarHBondContact O-N 3.41Å; V138-R146 PolarHBondContact O-NH1 2.85Å; V138-R146 PolarHBondContact O-NH2 3.07Å
139S82.9Confident76.4Confident54 Ų5460.7 Ų60.738%0.37834%0.34SS..THydrogen-bonded Turntrans49.933.2177.5-1610000114.8K121K121-S139 PolarHBondContact NZ-O 3.35Å; K121-S139 PolarHBondContact NZ-OG 3.35Å
140G86.1Confident78.1Confident27 Ų2759.6 Ų59.628%0.27833%0.332SS..THydrogen-bonded Turntrans78.514.9179.100000115.9M137 V138M137-G140 VanDerWaalsContact SD-CA 3.57Å; V138-G140 PolarHBondContact O-N 3.38Å
141I91.2Very high80.1Confident0 Ų053.9 Ų53.90%030%0.297CS..EExtended strand (participates in β ladder)trans-128.4136.6179.4-54.5169.5000108.8V60 L117 K121 M137 V138 Q145 R146V60-I141 HydrophobicContact CB-CD1 4.11Å; V60-I141 HydrophobicContact CG1-CD1 4.19Å; L117-I141 HydrophobicContact CB-CD1 4.11Å; L117-I141 HydrophobicContact CD2-CD1 4.23Å; L117-I141 HydrophobicContact CD2-CG2 4.15Å; L117-I141 WeakPolarHBondContact O-CD1 3.38Å; K121-I141 HydrophobicContact CB-CD1 4.01Å; K121-I141 HydrophobicContact CB-CG1 3.76Å; K121-I141 HydrophobicContact CG-CG1 4.23Å; M137-I141 WeakPolarHBondContact CA-O 3.34Å; M137-I141 WeakPolarHBondContact CG-O 3.23Å; V138-I141 PolarHBondContact N-O 2.89Å; V138-I141 VanDerWaalsContact N-O 3.12Å; V138-I141 PolarHBondContact O-N 3.41Å; I141-Q145 HydrophobicContact CG2-CB 3.85Å; I141-R146 HydrophobicContact CG2-CG 4.05Å; I141-R146 PolarHBondContact O-NH1 3.28Å
142Y91Very high82.2Confident23 Ų2350.4 Ų50.49%0.0927%0.273CS..EExtended strand (participates in β ladder)trans-72.4150.3176.6-66.4-73.5000112.2M137 C144 Q145 R146 A270M137-Y142 HydrophobicContact CB-CD1 4.41Å; Y142-C144 VanDerWaalsContact C-N 3.3Å; Y142-C144 PolarHBondContact O-N 3.07Å; Y142-Q145 PolarHBondContact O-N 3.35Å; Y142-R146 PolarHBondContact O-N 3.04Å; Y142-R146 VanDerWaalsContact O-N 3.15Å; Y142-A270 HydrophobicContact CD2-CB 4.01Å; Y142-A270 HydrophobicContact CE2-CB 3.88Å
143S89.4Confident84.1Confident48 Ų4850.3 Ų50.334%0.33627%0.271SS..Hα-helixtrans-57.1-40.9175.459.20000112.8D136 Q145 R146 S147D136-S143 PolarHBondContact O-N 3.33Å; S143-Q145 VanDerWaalsContact C-N 3.34Å; S143-Q145 PolarHBondContact O-N 3.34Å; S143-R146 WeakPolarHBondContact O-CB 3.49Å; S143-R146 PolarHBondContact O-N 3.49Å; S143-S147 PolarHBondContact O-N 3.06Å; S143-S147 PolarHBondContact O-OG 3.48Å
144C92.2Very high85.9Confident7 Ų744.2 Ų44.25%0.04724%0.243CC..Hα-helixtrans-62.2-37.5176.358.20000113Y135 Y142 S147 L148 L206 L269Y135-C144 HydrophobicContact CD1-CB 4.24Å; Y135-C144 HydrophobicContact CE1-CB 4.2Å; Y142-C144 VanDerWaalsContact C-N 3.3Å; Y142-C144 PolarHBondContact O-N 3.07Å; C144-S147 PolarHBondContact O-N 3.41Å; C144-L148 WeakPolarHBondContact O-CB 3.23Å; C144-L148 PolarHBondContact O-N 3.28Å; C144-L206 HydrophobicContact CB-CD2 4.05Å; C144-L206 WeakPolarHBondContact O-CD2 2.93Å; C144-L269 HydrophobicContact CB-CD1 4.23Å; C144-L269 HydrophobicContact CB-CD2 4.19Å
145Q94Very high87.8Confident1 Ų137.5 Ų37.51%0.00521%0.207CC..Hα-helixtrans-68.4-34.9175.6-70173.2-42.800111.9S120 I141 Y142 S143 L148 A149 A266 L269S120-Q145 PolarHBondContact OG-NE2 3.38Å; I141-Q145 HydrophobicContact CG2-CB 3.85Å; Y142-Q145 PolarHBondContact O-N 3.35Å; S143-Q145 VanDerWaalsContact C-N 3.34Å; S143-Q145 PolarHBondContact O-N 3.34Å; Q145-L148 PolarHBondContact O-N 2.96Å; Q145-A149 PolarHBondContact O-N 2.94Å; Q145-A266 PolarHBondContact NE2-O 3.18Å; Q145-L269 HydrophobicContact CG-CB 4.16Å; Q145-L269 HydrophobicContact CG-CD1 4.47Å
146R91.6Very high89.1Confident36 Ų3633.6 Ų33.614%0.13619%0.192CC..Hα-helixtrans-64.6-47.4171.1-69.3-171.8171.575.99.7111.7L117 V138 I141 Y142 S143 L148 A149 E150L117-R146 HydrophobicContact CD2-CB 4.33Å; L117-R146 HydrophobicContact CD2-CG 3.79Å; V138-R146 PolarHBondContact O-NH1 2.85Å; V138-R146 PolarHBondContact O-NH2 3.07Å; I141-R146 HydrophobicContact CG2-CG 4.05Å; I141-R146 PolarHBondContact O-NH1 3.28Å; Y142-R146 PolarHBondContact O-N 3.04Å; Y142-R146 VanDerWaalsContact O-N 3.15Å; S143-R146 WeakPolarHBondContact O-CB 3.49Å; S143-R146 PolarHBondContact O-N 3.49Å; R146-L148 PolarHBondContact O-N 2.93Å; R146-A149 WeakPolarHBondContact O-CB 3.43Å; R146-A149 PolarHBondContact O-N 3Å; R146-E150 PolarHBondContact O-N 3.41Å
147S91.6Very high89.7Confident47 Ų4727.7 Ų27.733%0.32916%0.161SC..Hα-helixtrans-59-37.3174.9-61.80000111.6S143 C144 E150 I151S143-S147 PolarHBondContact O-N 3.06Å; S143-S147 PolarHBondContact O-OG 3.48Å; C144-S147 PolarHBondContact O-N 3.41Å; S147-E150 WeakPolarHBondContact O-CB 3.48Å; S147-E150 PolarHBondContact O-N 3.22Å; S147-I151 WeakPolarHBondContact O-CB 3.26Å; S147-I151 VanDerWaalsContact O-CD1 3.27Å; S147-I151 WeakPolarHBondContact O-CD1 3.31Å; S147-I151 WeakPolarHBondContact O-CG1 3.43Å; S147-I151 PolarHBondContact O-N 2.88Å
148L95.2Very high90.1Very high0 Ų023.3 Ų23.30%014%0.14CC..Hα-helixtrans-64.5-40.4173.4-179.865.1000112.8V116 C144 Q145 R146 E150 I151 T152 L206 V211 L215 A265 A266 L269V116-L148 HydrophobicContact CG1-CD2 4.5Å; C144-L148 WeakPolarHBondContact O-CB 3.23Å; C144-L148 PolarHBondContact O-N 3.28Å; Q145-L148 PolarHBondContact O-N 2.96Å; R146-L148 PolarHBondContact O-N 2.93Å; L148-E150 VanDerWaalsContact C-N 3.32Å; L148-E150 PolarHBondContact O-N 3.4Å; L148-I151 PolarHBondContact O-N 2.85Å; L148-T152 WeakPolarHBondContact O-CB 3.41Å; L148-T152 PolarHBondContact O-N 2.99Å; L148-T152 PolarHBondContact O-OG1 3.35Å; L148-L206 HydrophobicContact CB-CD1 4.39Å; L148-L206 HydrophobicContact CD1-CD1 4.29Å; L148-V211 HydrophobicContact CD1-CG1 4.11Å; L148-L215 HydrophobicContact CD1-CD2 3.99Å; L148-L215 HydrophobicContact CD1-CG 4.15Å; L148-A265 HydrophobicContact CD1-CB 4.37Å; L148-A265 HydrophobicContact CD2-CB 3.65Å; L148-A266 HydrophobicContact CD2-CB 3.99Å; L148-A266 VanDerWaalsContact CD2-N 3.33Å; L148-L269 HydrophobicContact CB-CD1 3.78Å; L148-L269 HydrophobicContact CD2-CD1 3.69Å; L148-L269 HydrophobicContact CG-CD1 4.28Å
149A93.1Very high90.6Very high2 Ų220 Ų202%0.01712%0.119CC..Hα-helixtrans-61.2-41.5174.300000111.5V116 L117 Q145 R146 T152 E153V116-A149 HydrophobicContact CB-CB 4.16Å; V116-A149 HydrophobicContact CG1-CB 3.93Å; L117-A149 HydrophobicContact CD1-CB 4.44Å; L117-A149 HydrophobicContact CD2-CB 3.84Å; L117-A149 HydrophobicContact CG-CB 3.78Å; Q145-A149 PolarHBondContact O-N 2.94Å; R146-A149 WeakPolarHBondContact O-CB 3.43Å; R146-A149 PolarHBondContact O-N 3Å; A149-T152 PolarHBondContact O-N 2.65Å; A149-E153 PolarHBondContact O-N 3.22Å; A149-E153 VanDerWaalsContact O-N 3.15Å
150E88.5Confident90.8Very high63 Ų6319.5 Ų19.529%0.29411%0.112SC..Hα-helixtrans-60.2-51.3173.4-69.3173.1-143.100112M67 R146 S147 L148 T152 E153 L154M67-E150 HydrophobicContact CE-CG 3.26Å; M67-E150 WeakPolarHBondContact CE-OE1 3.21Å; M67-E150 HydrophobicContact CG-CG 4.48Å; M67-E150 HydrophobicContact SD-CG 3.22Å; M67-E150 WeakPolarHBondContact SD-CG 2.97Å; R146-E150 PolarHBondContact O-N 3.41Å; S147-E150 WeakPolarHBondContact O-CB 3.48Å; S147-E150 PolarHBondContact O-N 3.22Å; L148-E150 VanDerWaalsContact C-N 3.32Å; L148-E150 PolarHBondContact O-N 3.4Å; E150-T152 VanDerWaalsContact C-N 3.28Å; E150-T152 PolarHBondContact O-N 3.42Å; E150-E153 PolarHBondContact O-N 3.37Å; E150-E153 VanDerWaalsContact O-N 3.16Å; E150-L154 WeakPolarHBondContact O-CG 3.21Å; E150-L154 PolarHBondContact O-N 2.7Å
151I92.5Very high90.9Very high6 Ų618.5 Ų18.53%0.03110%0.1CC..Hα-helixtrans-58.3-43.2179.1-71.1159.6000110.7S147 L148 E153 L154 I155 A199 L203 L206S147-I151 WeakPolarHBondContact O-CB 3.26Å; S147-I151 VanDerWaalsContact O-CD1 3.27Å; S147-I151 WeakPolarHBondContact O-CD1 3.31Å; S147-I151 WeakPolarHBondContact O-CG1 3.43Å; S147-I151 PolarHBondContact O-N 2.88Å; L148-I151 PolarHBondContact O-N 2.85Å; I151-E153 VanDerWaalsContact C-N 3.3Å; I151-E153 PolarHBondContact O-N 2.87Å; I151-L154 PolarHBondContact O-N 3.12Å; I151-I155 HydrophobicContact CG2-CD1 3.94Å; I151-I155 WeakPolarHBondContact O-CG1 3.49Å; I151-I155 PolarHBondContact O-N 3.34Å; I151-A199 HydrophobicContact CG2-CB 4.21Å; I151-L203 HydrophobicContact CD1-CD2 4.25Å; I151-L203 HydrophobicContact CD1-CG 4.37Å; I151-L203 HydrophobicContact CG2-CD1 4.33Å; I151-L203 HydrophobicContact CG2-CD2 3.72Å; I151-L203 HydrophobicContact CG2-CG 3.7Å; I151-L206 HydrophobicContact CD1-CD1 3.86Å; I151-L206 HydrophobicContact CD1-CG 4.14Å
152T94.3Very high91Very high0 Ų021.1 Ų21.10%011%0.112CC..Hα-helixtrans-59.1-43.7178.4-60.30000111R112 L148 A149 E150 H156 L258 S262R112-T152 HydrophobicContact CB-CG2 3.84Å; L148-T152 WeakPolarHBondContact O-CB 3.41Å; L148-T152 PolarHBondContact O-N 2.99Å; L148-T152 PolarHBondContact O-OG1 3.35Å; A149-T152 PolarHBondContact O-N 2.65Å; E150-T152 VanDerWaalsContact C-N 3.28Å; E150-T152 PolarHBondContact O-N 3.42Å; T152-H156 PolarHBondContact O-N 3.18Å; T152-L258 HydrophobicContact CG2-CD1 4.27Å; T152-L258 HydrophobicContact CG2-CD2 4.32Å; T152-L258 HydrophobicContact CG2-CG 4.03Å; T152-S262 VanDerWaalsContact CG2-OG 3.24Å; T152-S262 WeakPolarHBondContact CG2-OG 3.48Å; T152-S262 WeakPolarHBondContact OG1-CB 3.44Å; T152-S262 PolarHBondContact OG1-OG 2.88Å
153E89Confident90.8Very high16 Ų1624 Ų248%0.07512%0.123CC..Hα-helixtrans-70.9-34.2177.3-74.1-60160.400113.2Q110 R112 G113 A149 E150 I151 H156 T157Q110-E153 VanDerWaalsContact CA-OE1 3.26Å; Q110-E153 WeakPolarHBondContact CA-OE1 3.38Å; R112-E153 WeakPolarHBondContact CA-OE1 3.47Å; R112-E153 VanDerWaalsContact CB-OE1 3.25Å; R112-E153 WeakPolarHBondContact CB-OE1 3.46Å; R112-E153 PolarHBondContact N-OE1 3.41Å; G113-E153 PolarHBondContact N-OE1 3.25Å; A149-E153 PolarHBondContact O-N 3.22Å; A149-E153 VanDerWaalsContact O-N 3.15Å; E150-E153 PolarHBondContact O-N 3.37Å; E150-E153 VanDerWaalsContact O-N 3.16Å; I151-E153 VanDerWaalsContact C-N 3.3Å; I151-E153 PolarHBondContact O-N 2.87Å; E153-H156 PolarHBondContact O-N 3.36Å; E153-T157 VanDerWaalsContact O-CB 3.28Å; E153-T157 WeakPolarHBondContact O-CB 3.35Å; E153-T157 PolarHBondContact O-N 3.44Å; E153-T157 PolarHBondContact O-OG1 2.92Å
154L88.6Confident90.7Very high32 Ų3221.9 Ų21.917%0.16811%0.109CC..Hα-helixtrans-62.9-46.3173.1-72.8174.6000111.6C71 E150 I151 H156 T157 A158 L195 N198 A199C71-L154 VanDerWaalsContact SG-CD2 3.51Å; E150-L154 WeakPolarHBondContact O-CG 3.21Å; E150-L154 PolarHBondContact O-N 2.7Å; I151-L154 PolarHBondContact O-N 3.12Å; L154-H156 VanDerWaalsContact C-N 3.34Å; L154-H156 PolarHBondContact O-N 3.33Å; L154-T157 PolarHBondContact O-N 3.26Å; L154-A158 WeakPolarHBondContact O-CB 3.43Å; L154-A158 PolarHBondContact O-N 3.48Å; L154-L195 HydrophobicContact CD2-CD2 3.86Å; L154-N198 HydrophobicContact CD1-CB 4.44Å; L154-A199 HydrophobicContact CB-CB 4.07Å
155I93.1Very high90.6Very high6 Ų624.8 Ų24.83%0.03112%0.123CC..Hα-helixtrans-61.2-45.7176.4-65.5168.8000110I151 T157 A158 L159 L196 A199 L215 L219 L222 L258I151-I155 HydrophobicContact CG2-CD1 3.94Å; I151-I155 WeakPolarHBondContact O-CG1 3.49Å; I151-I155 PolarHBondContact O-N 3.34Å; I155-T157 VanDerWaalsContact C-N 3.34Å; I155-T157 PolarHBondContact O-N 2.96Å; I155-A158 PolarHBondContact O-N 3.15Å; I155-L159 PolarHBondContact O-N 3.07Å; I155-L159 VanDerWaalsContact O-N 3.09Å; I155-L196 HydrophobicContact CG1-CD1 4.41Å; I155-A199 HydrophobicContact CD1-CB 4.31Å; I155-A199 HydrophobicContact CG1-CB 3.61Å; I155-L215 HydrophobicContact CD1-CD1 4.22Å; I155-L219 HydrophobicContact CG2-CD1 4.3Å; I155-L222 HydrophobicContact CG2-CD1 4.12Å; I155-L258 HydrophobicContact CB-CD1 4.34Å; I155-L258 HydrophobicContact CB-CD2 4.28Å; I155-L258 HydrophobicContact CD1-CD1 4.35Å; I155-L258 HydrophobicContact CG2-CD1 4.02Å; I155-L258 HydrophobicContact CG2-CD2 3.98Å
156H90.6Very high90.3Very high15 Ų1526.1 Ų26.17%0.06913%0.131CC..Hα-helixtrans-62.1-42.9177.8-175.548.8000112.1R112 T152 E153 L154 L159 L160 L258R112-H156 PolarHBondContact NH1-CD2 3.32Å; R112-H156 PolarHBondContact NH1-CE1 3.21Å; R112-H156 PolarHBondContact NH1-NE2 2.87Å; R112-H156 PolarHBondContact NH2-CE1 3.46Å; T152-H156 PolarHBondContact O-N 3.18Å; E153-H156 PolarHBondContact O-N 3.36Å; L154-H156 VanDerWaalsContact C-N 3.34Å; L154-H156 PolarHBondContact O-N 3.33Å; H156-L159 WeakPolarHBondContact O-CB 3.47Å; H156-L159 PolarHBondContact O-N 2.88Å; H156-L160 WeakPolarHBondContact O-CG 3.39Å; H156-L160 PolarHBondContact O-N 2.92Å; H156-L258 HydrophobicContact CB-CD2 3.89Å
157T87.6Confident90.1Very high13 Ų1328.2 Ų28.28%0.0815%0.145CC..Hα-helixtrans-64.6-42.1178.7-59.20000111.5L101 E153 L154 I155 L159 L160 V161 L195L101-T157 HydrophobicContact CD1-CG2 3.91Å; L101-T157 HydrophobicContact CD2-CG2 3.44Å; L101-T157 VanDerWaalsContact CD2-CG2 3.44Å; L101-T157 HydrophobicContact CG-CG2 4.26Å; E153-T157 VanDerWaalsContact O-CB 3.28Å; E153-T157 WeakPolarHBondContact O-CB 3.35Å; E153-T157 PolarHBondContact O-N 3.44Å; E153-T157 PolarHBondContact O-OG1 2.92Å; L154-T157 PolarHBondContact O-N 3.26Å; I155-T157 VanDerWaalsContact C-N 3.34Å; I155-T157 PolarHBondContact O-N 2.96Å; T157-L159 VanDerWaalsContact C-N 3.3Å; T157-L159 PolarHBondContact O-N 3.47Å; T157-L160 PolarHBondContact O-N 2.99Å; T157-V161 HydrophobicContact CG2-CG2 4.47Å; T157-V161 WeakPolarHBondContact O-CG2 3.21Å; T157-V161 PolarHBondContact O-N 3.27Å; T157-L195 HydrophobicContact CG2-CD1 3.66Å
158A89.8Confident90Very high3 Ų328.4 Ų28.43%0.02514%0.143CC..Hα-helixtrans-56.4-46.5174.500000111.1L154 I155 L160 V161 H162 G192 L195 L196L154-A158 WeakPolarHBondContact O-CB 3.43Å; L154-A158 PolarHBondContact O-N 3.48Å; I155-A158 PolarHBondContact O-N 3.15Å; A158-L160 PolarHBondContact O-N 3.18Å; A158-V161 PolarHBondContact O-N 3.23Å; A158-H162 PolarHBondContact O-N 2.96Å; A158-G192 WeakPolarHBondContact CB-O 3.36Å; A158-L195 HydrophobicContact CB-CB 3.83Å; A158-L195 HydrophobicContact CB-CD1 4.48Å; A158-L196 HydrophobicContact CB-CB 4.4Å
159L90.6Very high89.6Confident22 Ų2235.7 Ų35.712%0.11518%0.181CC..Hα-helixtrans-59.9-44.1176.3-176.969.1000112.5I155 H156 T157 V161 H162 R163 L222 V226I155-L159 PolarHBondContact O-N 3.07Å; I155-L159 VanDerWaalsContact O-N 3.09Å; H156-L159 WeakPolarHBondContact O-CB 3.47Å; H156-L159 PolarHBondContact O-N 2.88Å; T157-L159 VanDerWaalsContact C-N 3.3Å; T157-L159 PolarHBondContact O-N 3.47Å; L159-V161 VanDerWaalsContact C-N 3.31Å; L159-V161 PolarHBondContact O-N 3.31Å; L159-H162 PolarHBondContact O-N 3.37Å; L159-R163 WeakPolarHBondContact O-CB 3.37Å; L159-R163 WeakPolarHBondContact O-CG 3.45Å; L159-R163 PolarHBondContact O-N 2.95Å; L159-L222 HydrophobicContact CD2-CD1 4.15Å; L159-L222 HydrophobicContact CD2-CD2 3.82Å; L159-L222 HydrophobicContact CD2-CG 4.39Å; L159-V226 HydrophobicContact CD1-CG2 3.76Å
160L87.4Confident89.3Confident42 Ų4239.5 Ų39.522%0.2220%0.199CC..Hα-helixtrans-64.1-36.8177.5-69.7179.5000112.5T97 L109 H156 T157 A158 G164T97-L160 HydrophobicContact CG2-CB 4.04Å; L109-L160 HydrophobicContact CD1-CD1 3.79Å; H156-L160 WeakPolarHBondContact O-CG 3.39Å; H156-L160 PolarHBondContact O-N 2.92Å; T157-L160 PolarHBondContact O-N 2.99Å; A158-L160 PolarHBondContact O-N 3.18Å; L160-G164 PolarHBondContact O-N 3.15Å
161V88.5Confident89.1Confident6 Ų638.5 Ų38.54%0.03620%0.195CC..Hα-helixtrans-67-47.4175.8167.90000110.5L94 T97 T157 A158 L159 G164 A188 L195L94-V161 HydrophobicContact CD1-CG1 3.87Å; L94-V161 HydrophobicContact CD1-CG2 4.45Å; T97-V161 HydrophobicContact CG2-CG2 3.91Å; T157-V161 HydrophobicContact CG2-CG2 4.47Å; T157-V161 WeakPolarHBondContact O-CG2 3.21Å; T157-V161 PolarHBondContact O-N 3.27Å; A158-V161 PolarHBondContact O-N 3.23Å; L159-V161 VanDerWaalsContact C-N 3.31Å; L159-V161 PolarHBondContact O-N 3.31Å; V161-G164 WeakPolarHBondContact O-CA 3.36Å; V161-G164 PolarHBondContact O-N 3.23Å; V161-A188 HydrophobicContact CG1-CB 4.37Å; V161-A188 WeakPolarHBondContact CG1-O 3.35Å; V161-L195 HydrophobicContact CG2-CD1 4.36Å
162H91.8Very high88.7Confident56 Ų5643.3 Ų43.326%0.25922%0.218SC..Hα-helixtrans-65-37.9177.8-74165000112.9A158 L159 G164 I165 I189 G192 D193A158-H162 PolarHBondContact O-N 2.96Å; L159-H162 PolarHBondContact O-N 3.37Å; H162-G164 PolarHBondContact O-N 3.33Å; H162-G164 VanDerWaalsContact O-N 3.12Å; H162-I165 WeakPolarHBondContact O-CB 3.37Å; H162-I165 WeakPolarHBondContact O-CD1 3.24Å; H162-I165 VanDerWaalsContact O-CG1 3.23Å; H162-I165 WeakPolarHBondContact O-CG1 3.49Å; H162-I165 PolarHBondContact O-N 3Å; H162-I165 VanDerWaalsContact O-N 3.13Å; H162-I189 PolarHBondContact NE2-O 3.26Å; H162-I189 VanDerWaalsContact NE2-O 3.13Å; H162-G192 WeakPolarHBondContact NE2-CA 3.47Å; H162-D193 IonicContact CE1-OD1 3.59Å; H162-D193 PolarHBondContact CE1-OD1 2.99Å; H162-D193 VanDerWaalsContact CE1-OD1 3.24Å; H162-D193 PolarHBondContact NE2-N 3.41Å; H162-D193 IonicContact NE2-OD1 3.79Å; H162-D193 PolarHBondContact NE2-OD1 3.44Å; H162-D193 VanDerWaalsContact NE2-OD1 3.1Å
163R87.5Confident88.1Confident82 Ų8249.4 Ų49.431%0.30926%0.26SS..THydrogen-bonded Turntrans-62.1-15.8171.6-80.3-177.8166.2172.40.2113.5L159 I165 E229L159-R163 WeakPolarHBondContact O-CB 3.37Å; L159-R163 WeakPolarHBondContact O-CG 3.45Å; L159-R163 PolarHBondContact O-N 2.95Å; R163-I165 VanDerWaalsContact C-N 3.29Å; R163-E229 IonicContact CZ-OE2 2.67Å; R163-E229 VanDerWaalsContact CZ-OE2 3.31Å; R163-E229 IonicContact NE-OE2 3.24Å; R163-E229 VanDerWaalsContact NH2-CD 3.28Å; R163-E229 IonicContact NH2-OE1 2.73Å; R163-E229 PolarHBondContact NH2-OE1 2.99Å; R163-E229 VanDerWaalsContact NH2-OE1 3.13Å; R163-E229 IonicContact NH2-OE2 2.79Å; R163-E229 PolarHBondContact NH2-OE2 3.16Å
164G86.4Confident87.9Confident4 Ų452.1 Ų52.14%0.04128%0.281CS..THydrogen-bonded Turntrans-81.71175.400000115.1H92 P93 L160 V161 H162H92-G164 PolarHBondContact CE1-O 3.39Å; P93-G164 WeakPolarHBondContact CB-O 3.4Å; L160-G164 PolarHBondContact O-N 3.15Å; V161-G164 WeakPolarHBondContact O-CA 3.36Å; V161-G164 PolarHBondContact O-N 3.23Å; H162-G164 PolarHBondContact O-N 3.33Å; H162-G164 VanDerWaalsContact O-N 3.12Å
165I90.4Very high87.8Confident68 Ų6852.3 Ų52.335%0.34928%0.282SS..  trans-71.5130.9175.1-65.3166.4000109.3H162 R163 N185 A188 I189H162-I165 WeakPolarHBondContact O-CB 3.37Å; H162-I165 WeakPolarHBondContact O-CD1 3.24Å; H162-I165 VanDerWaalsContact O-CG1 3.23Å; H162-I165 WeakPolarHBondContact O-CG1 3.49Å; H162-I165 PolarHBondContact O-N 3Å; H162-I165 VanDerWaalsContact O-N 3.13Å; R163-I165 VanDerWaalsContact C-N 3.29Å; I165-N185 WeakPolarHBondContact CA-OD1 3.22Å; I165-N185 HydrophobicContact CG2-CB 4.49Å; I165-A188 HydrophobicContact CG1-CB 3.87Å; I165-I189 HydrophobicContact CD1-CD1 4.29Å; I165-I189 HydrophobicContact CD1-CG1 3.44Å; I165-I189 VanDerWaalsContact CD1-CG1 3.44Å; I165-I189 HydrophobicContact CG1-CG1 4.21Å
166V87.9Confident87.5Confident29 Ų2953.1 Ų53.118%0.17629%0.292CS..  trans-100.1149.2-177.7-64.90000112.8P93 L168 L171 M181 N185P93-V166 HydrophobicContact CG-CG1 3.47Å; P93-V166 VanDerWaalsContact CG-CG1 3.47Å; V166-L168 HydrophobicContact CG2-CD2 4.18Å; V166-L168 PolarHBondContact O-N 2.96Å; V166-L171 HydrophobicContact CG2-CD2 4.22Å; V166-M181 HydrophobicContact CG1-CE 4.21Å; V166-M181 HydrophobicContact CG2-CE 3.81Å; V166-N185 WeakPolarHBondContact CG2-OD1 3.28Å; V166-N185 PolarHBondContact N-OD1 3.15Å; V166-N185 PolarHBondContact O-ND2 3.31Å
167N87.9Confident87.6Confident80 Ų8056 Ų5643%0.42831%0.312SS..  trans-75.8110.3167.4-173.9-6.3000110N169 E170N167-N169 PolarHBondContact O-N 3.46Å; N167-N169 WeakPolarHBondContact OD1-CB 3.5Å; N167-N169 PolarHBondContact OD1-N 2.9Å; N167-N169 VanDerWaalsContact OD1-N 3.08Å; N167-E170 HydrophobicContact CB-CB 4.38Å; N167-E170 HydrophobicContact CB-CG 4.36Å; N167-E170 PolarHBondContact ND2-OE1 2.79Å; N167-E170 PolarHBondContact O-N 3.08Å
168L89.3Confident87.8Confident52 Ų5259.9 Ų59.927%0.27233%0.332SS..G310 helixtrans-64.7-23.8-177.4-60.5176000113.3V166 E170 L171 L178 M181 Q182V166-L168 HydrophobicContact CG2-CD2 4.18Å; V166-L168 PolarHBondContact O-N 2.96Å; L168-E170 VanDerWaalsContact C-N 3.27Å; L168-E170 PolarHBondContact O-N 3.26Å; L168-L171 HydrophobicContact CB-CD1 4.35Å; L168-L171 HydrophobicContact CD2-CD1 3.83Å; L168-L171 WeakPolarHBondContact O-CG 3.28Å; L168-L178 HydrophobicContact CB-CD1 4.36Å; L168-L178 HydrophobicContact CD2-CD1 4.29Å; L168-M181 HydrophobicContact CD2-CB 3.97Å; L168-Q182 HydrophobicContact CD1-CG 3.56Å; L168-Q182 HydrophobicContact CD2-CG 4.17Å
169N87.3Confident87.9Confident152 Ų15267.8 Ų67.881%0.81337%0.366SS*.G310 helixtrans-76.4-15.9179.7-63-27.3000112.9N167N167-N169 PolarHBondContact O-N 3.46Å; N167-N169 WeakPolarHBondContact OD1-CB 3.5Å; N167-N169 PolarHBondContact OD1-N 2.9Å; N167-N169 VanDerWaalsContact OD1-N 3.08Å
170E85.4Confident88Confident83 Ų8369.8 Ų69.839%0.38838%0.376SS..G310 helixtrans-1075.7-176.1-66.4179.3-152.600113.2N167 L168 Q172 K234N167-E170 HydrophobicContact CB-CB 4.38Å; N167-E170 HydrophobicContact CB-CG 4.36Å; N167-E170 PolarHBondContact ND2-OE1 2.79Å; N167-E170 PolarHBondContact O-N 3.08Å; L168-E170 VanDerWaalsContact C-N 3.27Å; L168-E170 PolarHBondContact O-N 3.26Å; E170-Q172 PolarHBondContact O-NE2 3.35Å; E170-K234 WeakPolarHBondContact OE2-CE 3.47Å; E170-K234 IonicContact OE2-NZ 2.66Å; E170-K234 PolarHBondContact OE2-NZ 3.46Å
171L85.5Confident88.3Confident41 Ų4167.9 Ų67.922%0.21537%0.366CS..  trans-61.8136-177.6-67.4176.4000111.9V166 L168 D175 L178 M181V166-L171 HydrophobicContact CG2-CD2 4.22Å; L168-L171 HydrophobicContact CB-CD1 4.35Å; L168-L171 HydrophobicContact CD2-CD1 3.83Å; L168-L171 WeakPolarHBondContact O-CG 3.28Å; L171-D175 HydrophobicContact CD2-CB 4.24Å; L171-L178 HydrophobicContact CD1-CD1 3.74Å; L171-M181 HydrophobicContact CD1-CB 3.83Å; L171-M181 HydrophobicContact CD1-CG 3.9Å; L171-M181 HydrophobicContact CD2-CB 4.46Å; L171-M181 HydrophobicContact CD2-CE 3.81Å; L171-M181 HydrophobicContact CD2-CG 4.14Å
172Q84.3Confident88.5Confident108 Ų10872 Ų7251%0.50539%0.385SS..  trans-93.5156.5169.1-58.3-60.3-55.600109.9E170 S174 D175E170-Q172 PolarHBondContact O-NE2 3.35Å; Q172-S174 PolarHBondContact O-N 2.92Å; Q172-S174 VanDerWaalsContact O-N 3.11Å; Q172-D175 PolarHBondContact N-OD2 3.07Å; Q172-D175 WeakPolarHBondContact O-CB 3.33Å; Q172-D175 PolarHBondContact O-N 3Å
173S81.1Confident88.6Confident128 Ų12872.1 Ų72.190%0.89539%0.385SS*.THydrogen-bonded Turntrans-59.3-24.5175.6560000113.1D175S173-D175 VanDerWaalsContact C-N 3.31Å; S173-D175 PolarHBondContact O-N 3.45Å
174S85Confident88.8Confident73 Ų7368.2 Ų68.251%0.5137%0.371SS..THydrogen-bonded Turntrans-73.8-14.7176.154.60000114.9Q91 Q172Q91-S174 PolarHBondContact NE2-O 3.47Å; Q91-S174 VanDerWaalsContact NE2-O 3.13Å; Q172-S174 PolarHBondContact O-N 2.92Å; Q172-S174 VanDerWaalsContact O-N 3.11Å
175D85.9Confident89.2Confident36 Ų3668.9 Ų68.919%0.19337%0.373CS..THydrogen-bonded Turntrans-81-27.1-172.8-60.8-24000112Q91 L171 Q172 S173 M181Q91-D175 PolarHBondContact N-O 3.36Å; L171-D175 HydrophobicContact CD2-CB 4.24Å; Q172-D175 PolarHBondContact N-OD2 3.07Å; Q172-D175 WeakPolarHBondContact O-CB 3.33Å; Q172-D175 PolarHBondContact O-N 3Å; S173-D175 VanDerWaalsContact C-N 3.31Å; S173-D175 PolarHBondContact O-N 3.45Å; D175-M181 HydrophobicContact CB-CE 4.3Å
176G87.9Confident89.4Confident23 Ų2372 Ų7224%0.23738%0.384CS..  trans127.7175.8178.800000112.5
177P91.9Very high89.5Confident76 Ų7671.5 Ų71.549%0.49438%0.38SS..  trans-61.1137.8179.2-22.634.8000111.8K179 D180 M181P177-K179 PolarHBondContact O-N 3.01Å; P177-K179 VanDerWaalsContact O-N 3.11Å; P177-D180 HydrophobicContact CB-CB 4.49Å; P177-D180 WeakPolarHBondContact CD-OD2 3.22Å; P177-D180 VanDerWaalsContact CG-OD2 3.29Å; P177-D180 WeakPolarHBondContact CG-OD2 3.22Å; P177-D180 PolarHBondContact O-N 3.26Å; P177-M181 PolarHBondContact O-N 3.39Å; P177-M181 VanDerWaalsContact O-N 3.08Å
178L91.7Very high89.7Confident93 Ų9367.7 Ų67.749%0.48736%0.36SS..Hα-helixtrans-51.5-40.1180177.363.7000112.9L168 L171 D180 M181 Q182L168-L178 HydrophobicContact CB-CD1 4.36Å; L168-L178 HydrophobicContact CD2-CD1 4.29Å; L171-L178 HydrophobicContact CD1-CD1 3.74Å; L178-D180 VanDerWaalsContact C-N 3.32Å; L178-D180 PolarHBondContact O-N 3.35Å; L178-M181 PolarHBondContact O-N 2.96Å; L178-Q182 HydrophobicContact CD1-CG 4.35Å; L178-Q182 HydrophobicContact CG-CG 4.48Å; L178-Q182 WeakPolarHBondContact O-CB 3.4Å; L178-Q182 WeakPolarHBondContact O-CG 3.42Å; L178-Q182 PolarHBondContact O-N 2.71Å
179K92.8Very high89.9Confident170 Ų17068.8 Ų68.874%0.73937%0.365SS*.Hα-helixtrans-62-38.8178.3-68.9-174.9178.9-179.60112.4P177 F183P177-K179 PolarHBondContact O-N 3.01Å; P177-K179 VanDerWaalsContact O-N 3.11Å; K179-F183 WeakPolarHBondContact O-CB 3.32Å; K179-F183 PolarHBondContact O-N 3.02Å
180D92Very high90.1Very high63 Ų6366.1 Ų66.134%0.33735%0.35SS..Hα-helixtrans-73.9-35.8179.5-60.5-24.3000110.5L87 T90 P177 L178 F183 G184L87-D180 WeakPolarHBondContact CD2-O 3.33Å; T90-D180 HydrophobicContact CG2-CB 3.73Å; P177-D180 HydrophobicContact CB-CB 4.49Å; P177-D180 WeakPolarHBondContact CD-OD2 3.22Å; P177-D180 VanDerWaalsContact CG-OD2 3.29Å; P177-D180 WeakPolarHBondContact CG-OD2 3.22Å; P177-D180 PolarHBondContact O-N 3.26Å; L178-D180 VanDerWaalsContact C-N 3.32Å; L178-D180 PolarHBondContact O-N 3.35Å; D180-F183 PolarHBondContact O-N 3.49Å; D180-G184 PolarHBondContact O-N 3.14Å
181M93.3Very high90.3Very high2 Ų262.5 Ų62.51%0.0133%0.334CS..Hα-helixtrans-66.5-42173.9-58.2-55-72.600112H92 V166 L168 L171 D175 P177 L178 G184 N185H92-M181 HydrophobicContact CB-CE 4.09Å; H92-M181 HydrophobicContact CB-SD 4.02Å; V166-M181 HydrophobicContact CG1-CE 4.21Å; V166-M181 HydrophobicContact CG2-CE 3.81Å; L168-M181 HydrophobicContact CD2-CB 3.97Å; L171-M181 HydrophobicContact CD1-CB 3.83Å; L171-M181 HydrophobicContact CD1-CG 3.9Å; L171-M181 HydrophobicContact CD2-CB 4.46Å; L171-M181 HydrophobicContact CD2-CE 3.81Å; L171-M181 HydrophobicContact CD2-CG 4.14Å; D175-M181 HydrophobicContact CB-CE 4.3Å; P177-M181 PolarHBondContact O-N 3.39Å; P177-M181 VanDerWaalsContact O-N 3.08Å; L178-M181 PolarHBondContact O-N 2.96Å; M181-G184 PolarHBondContact O-N 2.92Å; M181-N185 PolarHBondContact O-N 3.28Å
182Q93.8Very high90.5Very high94 Ų9460.6 Ų60.644%0.43932%0.324SS..Hα-helixtrans-60.8-44.2172.3-76.6173.2-19.500112L168 L178 G184 N185 K186L168-Q182 HydrophobicContact CD1-CG 3.56Å; L168-Q182 HydrophobicContact CD2-CG 4.17Å; L178-Q182 HydrophobicContact CD1-CG 4.35Å; L178-Q182 HydrophobicContact CG-CG 4.48Å; L178-Q182 WeakPolarHBondContact O-CB 3.4Å; L178-Q182 WeakPolarHBondContact O-CG 3.42Å; L178-Q182 PolarHBondContact O-N 2.71Å; Q182-G184 VanDerWaalsContact C-N 3.32Å; Q182-N185 PolarHBondContact O-N 3.45Å; Q182-K186 PolarHBondContact O-N 3.36Å
183F93.1Very high90.9Very high58 Ų5859.1 Ų59.125%0.25432%0.32SS..Hα-helixtrans-61.3-43.5174.8178.3-104.1000111Q83 K86 L87 K179 D180 N185 K186 I187Q83-F183 HydrophobicContact CB-CZ 4.18Å; K86-F183 HydrophobicContact CB-CE1 4.03Å; K86-F183 HydrophobicContact CD-CE1 4.19Å; K86-F183 HydrophobicContact CD-CZ 4.07Å; L87-F183 HydrophobicContact CD2-CD1 3.73Å; L87-F183 HydrophobicContact CD2-CE1 4.43Å; L87-F183 HydrophobicContact CG-CD1 4.27Å; K179-F183 WeakPolarHBondContact O-CB 3.32Å; K179-F183 PolarHBondContact O-N 3.02Å; D180-F183 PolarHBondContact O-N 3.49Å; F183-N185 PolarHBondContact O-N 3.42Å; F183-K186 WeakPolarHBondContact O-CB 3.49Å; F183-K186 PolarHBondContact O-N 3.47Å; F183-I187 HydrophobicContact CD1-CG1 4.24Å; F183-I187 HydrophobicContact CD2-CG1 4.47Å; F183-I187 HydrophobicContact CE1-CD1 4.37Å; F183-I187 HydrophobicContact CE1-CG1 3.75Å; F183-I187 HydrophobicContact CE2-CD1 3.92Å; F183-I187 HydrophobicContact CE2-CG1 4.02Å; F183-I187 HydrophobicContact CZ-CD1 3.73Å; F183-I187 HydrophobicContact CZ-CG1 3.63Å; F183-I187 WeakPolarHBondContact O-CG1 3.17Å; F183-I187 PolarHBondContact O-N 3Å
184G91.9Very high91.4Very high0 Ų055.7 Ų55.70%029%0.289CS..Hα-helixtrans-59.6-45176.400000113H92 D180 M181 Q182 K186 I187 A188H92-G184 VanDerWaalsContact CE1-C 3.41Å; H92-G184 WeakPolarHBondContact NE2-CA 3.33Å; D180-G184 PolarHBondContact O-N 3.14Å; M181-G184 PolarHBondContact O-N 2.92Å; Q182-G184 VanDerWaalsContact C-N 3.32Å; G184-K186 VanDerWaalsContact C-N 3.32Å; G184-K186 PolarHBondContact O-N 3.06Å; G184-I187 PolarHBondContact O-N 3.14Å; G184-A188 WeakPolarHBondContact O-CB 3.24Å; G184-A188 PolarHBondContact O-N 2.93Å
185N94.6Very high91.5Very high18 Ų1852.6 Ų52.610%0.09627%0.267CS..Hα-helixtrans-58.8-44174.2-82.8-2.9000111.4H92 I165 V166 M181 Q182 F183 I187 A188 I189H92-N185 PolarHBondContact NE2-N 2.95Å; H92-N185 VanDerWaalsContact NE2-N 3.15Å; H92-N185 PolarHBondContact NE2-OD1 3.06Å; I165-N185 WeakPolarHBondContact CA-OD1 3.22Å; I165-N185 HydrophobicContact CG2-CB 4.49Å; V166-N185 WeakPolarHBondContact CG2-OD1 3.28Å; V166-N185 PolarHBondContact N-OD1 3.15Å; V166-N185 PolarHBondContact O-ND2 3.31Å; M181-N185 PolarHBondContact O-N 3.28Å; Q182-N185 PolarHBondContact O-N 3.45Å; F183-N185 PolarHBondContact O-N 3.42Å; N185-I187 PolarHBondContact O-N 2.96Å; N185-A188 PolarHBondContact O-N 3.28Å; N185-I189 WeakPolarHBondContact O-CG1 3.23Å; N185-I189 PolarHBondContact O-N 3.11Å
186K94.4Very high91.8Very high134 Ų13452.9 Ų52.958%0.58327%0.268SS*.Hα-helixtrans-60.6-44.7177.1-177176.2-179.2176.30111.9Q182 F183 G184 L190Q182-K186 PolarHBondContact O-N 3.36Å; F183-K186 WeakPolarHBondContact O-CB 3.49Å; F183-K186 PolarHBondContact O-N 3.47Å; G184-K186 VanDerWaalsContact C-N 3.32Å; G184-K186 PolarHBondContact O-N 3.06Å; K186-L190 HydrophobicContact CG-CD1 4.07Å; K186-L190 WeakPolarHBondContact O-CG 3.48Å; K186-L190 PolarHBondContact O-N 3.49Å
187I91.1Very high92.1Very high17 Ų1754.7 Ų54.79%0.08728%0.28CS..Hα-helixtrans-67.5-39.5177.8-60.1-54.7000110.9Q83 V84 L94 F183 G184 N185 S191Q83-I187 HydrophobicContact CB-CD1 3.78Å; Q83-I187 HydrophobicContact CB-CG1 4.15Å; Q83-I187 HydrophobicContact CB-CG2 4.39Å; Q83-I187 HydrophobicContact CG-CD1 4.13Å; V84-I187 HydrophobicContact CG2-CG2 3.95Å; L94-I187 HydrophobicContact CD2-CB 3.97Å; L94-I187 HydrophobicContact CD2-CG2 3.74Å; F183-I187 HydrophobicContact CD1-CG1 4.24Å; F183-I187 HydrophobicContact CD2-CG1 4.47Å; F183-I187 HydrophobicContact CE1-CD1 4.37Å; F183-I187 HydrophobicContact CE1-CG1 3.75Å; F183-I187 HydrophobicContact CE2-CD1 3.92Å; F183-I187 HydrophobicContact CE2-CG1 4.02Å; F183-I187 HydrophobicContact CZ-CD1 3.73Å; F183-I187 HydrophobicContact CZ-CG1 3.63Å; F183-I187 WeakPolarHBondContact O-CG1 3.17Å; F183-I187 PolarHBondContact O-N 3Å; G184-I187 PolarHBondContact O-N 3.14Å; N185-I187 PolarHBondContact O-N 2.96Å; I187-S191 WeakPolarHBondContact O-CB 3.44Å; I187-S191 PolarHBondContact O-N 3.27Å; I187-S191 PolarHBondContact O-OG 3.39Å
188A91.3Very high91.9Very high0 Ų054 Ų540%027%0.273CS..Hα-helixtrans-60.4-49.1177.700000111.7L94 V161 I165 G184 N185 S191 G192L94-A188 HydrophobicContact CD1-CB 4.21Å; L94-A188 HydrophobicContact CD2-CB 4.2Å; V161-A188 HydrophobicContact CG1-CB 4.37Å; V161-A188 WeakPolarHBondContact CG1-O 3.35Å; I165-A188 HydrophobicContact CG1-CB 3.87Å; G184-A188 WeakPolarHBondContact O-CB 3.24Å; G184-A188 PolarHBondContact O-N 2.93Å; N185-A188 PolarHBondContact O-N 3.28Å; A188-S191 PolarHBondContact O-N 2.94Å; A188-G192 PolarHBondContact O-N 3.01Å
189I94.4Very high92Very high75 Ų7549.6 Ų49.639%0.38525%0.25SC..Hα-helixtrans-56.5-56.8177.6-66.5165.3000110.5H162 I165 N185 S191 G192 D193H162-I189 PolarHBondContact NE2-O 3.26Å; H162-I189 VanDerWaalsContact NE2-O 3.13Å; I165-I189 HydrophobicContact CD1-CD1 4.29Å; I165-I189 HydrophobicContact CD1-CG1 3.44Å; I165-I189 VanDerWaalsContact CD1-CG1 3.44Å; I165-I189 HydrophobicContact CG1-CG1 4.21Å; N185-I189 WeakPolarHBondContact O-CG1 3.23Å; N185-I189 PolarHBondContact O-N 3.11Å; I189-S191 VanDerWaalsContact C-N 3.32Å; I189-S191 PolarHBondContact O-N 3.07Å; I189-G192 PolarHBondContact O-N 3.37Å; I189-D193 PolarHBondContact O-N 2.87Å
190L91.4Very high92.1Very high96 Ų9644.7 Ų44.750%0.50324%0.236SC..Hα-helixtrans-63.5-36.9-175.7-67.3173.5000112.9K186 F194K186-L190 HydrophobicContact CG-CD1 4.07Å; K186-L190 WeakPolarHBondContact O-CG 3.48Å; K186-L190 PolarHBondContact O-N 3.49Å; L190-F194 WeakPolarHBondContact O-CB 3.37Å; L190-F194 PolarHBondContact O-N 2.97Å
191S88.7Confident92.1Very high8 Ų846.2 Ų46.26%0.05624%0.244CC..Hα-helixtrans-70.3-40.6179.6-55.80000111.4I80 I187 A188 I189 F194 L195I80-S191 WeakPolarHBondContact CG2-OG 3.48Å; I187-S191 WeakPolarHBondContact O-CB 3.44Å; I187-S191 PolarHBondContact O-N 3.27Å; I187-S191 PolarHBondContact O-OG 3.39Å; A188-S191 PolarHBondContact O-N 2.94Å; I189-S191 VanDerWaalsContact C-N 3.32Å; I189-S191 PolarHBondContact O-N 3.07Å; S191-F194 PolarHBondContact O-N 3.4Å; S191-L195 VanDerWaalsContact O-CG 3.31Å; S191-L195 WeakPolarHBondContact O-CG 3.38Å; S191-L195 PolarHBondContact O-N 3.34Å; S191-L195 VanDerWaalsContact O-N 3.11Å
192G90Very high92.1Very high0 Ų047 Ų470%025%0.252CS..Hα-helixtrans-65.5-41.8174.700000112A158 H162 A188 I189 F194 L195 L196A158-G192 WeakPolarHBondContact CB-O 3.36Å; H162-G192 WeakPolarHBondContact NE2-CA 3.47Å; A188-G192 PolarHBondContact O-N 3.01Å; I189-G192 PolarHBondContact O-N 3.37Å; G192-F194 VanDerWaalsContact C-N 3.34Å; G192-F194 PolarHBondContact O-N 3.47Å; G192-L195 PolarHBondContact O-N 3.43Å; G192-L196 WeakPolarHBondContact O-CB 3.35Å; G192-L196 PolarHBondContact O-N 3.27Å
193D93.4Very high92.2Very high77 Ų7743 Ų4341%0.41223%0.234SC..Hα-helixtrans-63.3-40.8177.5-65.9-8000111.7H162 I189 L196 A197H162-D193 IonicContact CE1-OD1 3.59Å; H162-D193 PolarHBondContact CE1-OD1 2.99Å; H162-D193 VanDerWaalsContact CE1-OD1 3.24Å; H162-D193 PolarHBondContact NE2-N 3.41Å; H162-D193 IonicContact NE2-OD1 3.79Å; H162-D193 PolarHBondContact NE2-OD1 3.44Å; H162-D193 VanDerWaalsContact NE2-OD1 3.1Å; I189-D193 PolarHBondContact O-N 2.87Å; D193-L196 PolarHBondContact O-N 2.97Å; D193-A197 WeakPolarHBondContact O-CB 3.44Å; D193-A197 PolarHBondContact O-N 3.19Å
194F89.8Confident92.3Very high57 Ų5743.3 Ų43.325%0.2525%0.247CC..Hα-helixtrans-61.7-45.2175.3174.1-98.3000112.4E76 L77 I80 L190 S191 G192 L196 A197 N198E76-F194 HydrophobicContact CB-CE1 4.08Å; E76-F194 HydrophobicContact CB-CE2 3.84Å; E76-F194 HydrophobicContact CB-CZ 3.36Å; E76-F194 HydrophobicContact CG-CE2 4.03Å; E76-F194 HydrophobicContact CG-CZ 3.86Å; L77-F194 HydrophobicContact CD1-CE1 4.26Å; L77-F194 HydrophobicContact CG-CE1 4.11Å; I80-F194 HydrophobicContact CD1-CB 4.5Å; I80-F194 HydrophobicContact CD1-CD1 3.78Å; I80-F194 HydrophobicContact CD1-CE1 4.32Å; I80-F194 HydrophobicContact CD1-CG 4.24Å; L190-F194 WeakPolarHBondContact O-CB 3.37Å; L190-F194 PolarHBondContact O-N 2.97Å; S191-F194 PolarHBondContact O-N 3.4Å; G192-F194 VanDerWaalsContact C-N 3.34Å; G192-F194 PolarHBondContact O-N 3.47Å; F194-L196 VanDerWaalsContact C-N 3.33Å; F194-A197 PolarHBondContact O-N 3.42Å; F194-N198 WeakPolarHBondContact CE1-ND2 3.25Å; F194-N198 WeakPolarHBondContact CE2-ND2 3.38Å; F194-N198 WeakPolarHBondContact CZ-ND2 3.22Å; F194-N198 PolarHBondContact O-N 2.86Å; F194-N198 VanDerWaalsContact O-N 3.09Å; F194-N198 PolarHBondContact O-ND2 2.75Å
195L88.3Confident92.5Very high8 Ų848.9 Ų48.94%0.04228%0.276CS..Hα-helixtrans-63.7-41.4177.3-70.7170.6000111.3L77 L154 T157 A158 V161 S191 G192 N198 A199L77-L195 HydrophobicContact CD1-CD2 4.43Å; L77-L195 HydrophobicContact CD2-CD2 4.49Å; L154-L195 HydrophobicContact CD2-CD2 3.86Å; T157-L195 HydrophobicContact CG2-CD1 3.66Å; A158-L195 HydrophobicContact CB-CB 3.83Å; A158-L195 HydrophobicContact CB-CD1 4.48Å; V161-L195 HydrophobicContact CG2-CD1 4.36Å; S191-L195 VanDerWaalsContact O-CG 3.31Å; S191-L195 WeakPolarHBondContact O-CG 3.38Å; S191-L195 PolarHBondContact O-N 3.34Å; S191-L195 VanDerWaalsContact O-N 3.11Å; G192-L195 PolarHBondContact O-N 3.43Å; L195-N198 PolarHBondContact O-N 2.95Å; L195-A199 PolarHBondContact O-N 3.47Å
196L92.6Very high92.4Very high42 Ų4248.5 Ų48.522%0.2227%0.274CS..Hα-helixtrans-66.1-40.8177.4-171.862.1000111.9I155 A158 G192 D193 F194 N198 A199 C200 L219I155-L196 HydrophobicContact CG1-CD1 4.41Å; A158-L196 HydrophobicContact CB-CB 4.4Å; G192-L196 WeakPolarHBondContact O-CB 3.35Å; G192-L196 PolarHBondContact O-N 3.27Å; D193-L196 PolarHBondContact O-N 2.97Å; F194-L196 VanDerWaalsContact C-N 3.33Å; L196-N198 VanDerWaalsContact C-N 3.33Å; L196-N198 PolarHBondContact O-N 3.42Å; L196-A199 WeakPolarHBondContact O-CB 3.39Å; L196-A199 PolarHBondContact O-N 2.75Å; L196-C200 PolarHBondContact O-N 3.38Å; L196-C200 PolarHBondContact O-SG 3.33Å; L196-L219 HydrophobicContact CD1-CD1 3.97Å; L196-L219 HydrophobicContact CD1-CD2 3.92Å; L196-L219 HydrophobicContact CD2-CD2 4.18Å
197A92.8Very high92.5Very high60 Ų6050.1 Ų50.150%0.49628%0.284SS..Hα-helixtrans-60.4-41.8175.100000111.9D193 F194 C200 N201D193-A197 WeakPolarHBondContact O-CB 3.44Å; D193-A197 PolarHBondContact O-N 3.19Å; F194-A197 PolarHBondContact O-N 3.42Å; A197-C200 PolarHBondContact O-N 3.49Å; A197-N201 PolarHBondContact O-N 3.37Å
198N88.8Confident92.7Very high63 Ų6351 Ų5134%0.33729%0.289SS..Hα-helixtrans-65.3-40174.1-77.4-59.3000112.5L154 F194 L195 L196 N201 G202L154-N198 HydrophobicContact CD1-CB 4.44Å; F194-N198 WeakPolarHBondContact CE1-ND2 3.25Å; F194-N198 WeakPolarHBondContact CE2-ND2 3.38Å; F194-N198 WeakPolarHBondContact CZ-ND2 3.22Å; F194-N198 PolarHBondContact O-N 2.86Å; F194-N198 VanDerWaalsContact O-N 3.09Å; F194-N198 PolarHBondContact O-ND2 2.75Å; L195-N198 PolarHBondContact O-N 2.95Å; L196-N198 VanDerWaalsContact C-N 3.33Å; L196-N198 PolarHBondContact O-N 3.42Å; N198-N201 PolarHBondContact O-N 3.36Å; N198-G202 PolarHBondContact O-N 3.12Å
199A92.8Very high93Very high0 Ų057 Ų570%033%0.325CS..Hα-helixtrans-60.9-44.8173.900000111.6I151 L154 I155 L195 L196 N201 G202 L203I151-A199 HydrophobicContact CG2-CB 4.21Å; L154-A199 HydrophobicContact CB-CB 4.07Å; I155-A199 HydrophobicContact CD1-CB 4.31Å; I155-A199 HydrophobicContact CG1-CB 3.61Å; L195-A199 PolarHBondContact O-N 3.47Å; L196-A199 WeakPolarHBondContact O-CB 3.39Å; L196-A199 PolarHBondContact O-N 2.75Å; A199-N201 PolarHBondContact O-N 3.21Å; A199-G202 PolarHBondContact O-N 2.88Å; A199-L203 WeakPolarHBondContact O-CG 3.09Å; A199-L203 PolarHBondContact O-N 3.03Å
200C95.4Very high93.2Very high67 Ų6757.4 Ų57.445%0.45332%0.324SS..Hα-helixtrans-61-43.2175.7-69.60000112.4L196 A197 L203 A204L196-C200 PolarHBondContact O-N 3.38Å; L196-C200 PolarHBondContact O-SG 3.33Å; A197-C200 PolarHBondContact O-N 3.49Å; C200-L203 PolarHBondContact O-N 2.86Å; C200-A204 PolarHBondContact O-N 2.96Å
201N93.3Very high93.5Very high95 Ų9552.9 Ų52.951%0.50830%0.301SS..Hα-helixtrans-61.8-44174.1-17553.8000111.3A197 N198 A199 L203 A204 L205A197-N201 PolarHBondContact O-N 3.37Å; N198-N201 PolarHBondContact O-N 3.36Å; A199-N201 PolarHBondContact O-N 3.21Å; N201-L203 PolarHBondContact O-N 3.16Å; N201-A204 PolarHBondContact O-N 3.21Å; N201-L205 WeakPolarHBondContact O-CG 3.12Å; N201-L205 PolarHBondContact O-N 2.75Å
202G92.2Very high94Very high17 Ų1755.1 Ų55.118%0.17531%0.314CS..Hα-helixtrans-58.1-44.917400000112.8N198 A199 A204 L205 L206N198-G202 PolarHBondContact O-N 3.12Å; A199-G202 PolarHBondContact O-N 2.88Å; G202-A204 VanDerWaalsContact C-N 3.34Å; G202-A204 PolarHBondContact O-N 3.48Å; G202-L205 PolarHBondContact O-N 3.44Å; G202-L206 PolarHBondContact O-N 3.32Å
203L95.7Very high94.4Very high12 Ų1260.3 Ų60.36%0.06334%0.338CS..Hα-helixtrans-60.3-42.9176.7-74.3172.3000111.8I151 A199 C200 N201 L205 L206 V211 V212 L215I151-L203 HydrophobicContact CD1-CD2 4.25Å; I151-L203 HydrophobicContact CD1-CG 4.37Å; I151-L203 HydrophobicContact CG2-CD1 4.33Å; I151-L203 HydrophobicContact CG2-CD2 3.72Å; I151-L203 HydrophobicContact CG2-CG 3.7Å; A199-L203 WeakPolarHBondContact O-CG 3.09Å; A199-L203 PolarHBondContact O-N 3.03Å; C200-L203 PolarHBondContact O-N 2.86Å; N201-L203 PolarHBondContact O-N 3.16Å; L203-L205 VanDerWaalsContact C-N 3.32Å; L203-L205 PolarHBondContact O-N 3.14Å; L203-L206 HydrophobicContact CD2-CD1 4.26Å; L203-L206 WeakPolarHBondContact O-CB 3.43Å; L203-L206 PolarHBondContact O-N 3.03Å; L203-V211 HydrophobicContact CD2-CG1 4.32Å; L203-V212 HydrophobicContact CB-CG2 4.22Å; L203-L215 HydrophobicContact CD1-CB 3.88Å; L203-L215 HydrophobicContact CD2-CB 3.82Å; L203-L215 HydrophobicContact CD2-CG 3.91Å
204A96.4Very high94.7Very high63 Ų6357.3 Ų57.352%0.52132%0.322SS..Hα-helixtrans-62.8-39176.300000112C200 N201 G202 L206 Q207C200-A204 PolarHBondContact O-N 2.96Å; N201-A204 PolarHBondContact O-N 3.21Å; G202-A204 VanDerWaalsContact C-N 3.34Å; G202-A204 PolarHBondContact O-N 3.48Å; A204-L206 PolarHBondContact O-N 2.98Å; A204-Q207 PolarHBondContact O-N 2.99Å; A204-Q207 VanDerWaalsContact O-N 3.07Å
205L94.3Very high95.1Very high118 Ų11854.7 Ų54.762%0.61831%0.311SS*.Hα-helixtrans-67.3-20.8177.4-69.4172.4000113.7N201 G202 L203 Q207N201-L205 WeakPolarHBondContact O-CG 3.12Å; N201-L205 PolarHBondContact O-N 2.75Å; G202-L205 PolarHBondContact O-N 3.44Å; L203-L205 VanDerWaalsContact C-N 3.32Å; L203-L205 PolarHBondContact O-N 3.14Å; L205-Q207 PolarHBondContact O-N 3.15Å
206L93.9Very high95.5Very high10 Ų1056.3 Ų56.35%0.05233%0.325CS..THydrogen-bonded Turntrans-67.9-19.7171.5-62.8178.6000112.7C144 L148 I151 G202 L203 A204 N208 V211 L269C144-L206 HydrophobicContact CB-CD2 4.05Å; C144-L206 WeakPolarHBondContact O-CD2 2.93Å; L148-L206 HydrophobicContact CB-CD1 4.39Å; L148-L206 HydrophobicContact CD1-CD1 4.29Å; I151-L206 HydrophobicContact CD1-CD1 3.86Å; I151-L206 HydrophobicContact CD1-CG 4.14Å; G202-L206 PolarHBondContact O-N 3.32Å; L203-L206 HydrophobicContact CD2-CD1 4.26Å; L203-L206 WeakPolarHBondContact O-CB 3.43Å; L203-L206 PolarHBondContact O-N 3.03Å; A204-L206 PolarHBondContact O-N 2.98Å; L206-N208 PolarHBondContact O-N 3.07Å; L206-N208 VanDerWaalsContact O-N 3.11Å; L206-V211 HydrophobicContact CD1-CG1 3.79Å; L206-L269 HydrophobicContact CD1-CD1 4.33Å
207Q95.3Very high95.8Very high168 Ų16855.5 Ų55.579%0.78532%0.323SS*.THydrogen-bonded Turntrans52.730.7179.3-58.4-17813.200114.3A204 L205A204-Q207 PolarHBondContact O-N 2.99Å; A204-Q207 VanDerWaalsContact O-N 3.07Å; L205-Q207 PolarHBondContact O-N 3.15Å
208N96.5Very high96.1Very high36 Ų3652.7 Ų52.719%0.19330%0.3CS..  trans-122.1107.7174.1-176.7-41.9000109.2L206 K210 V211 V212 E268 L269L206-N208 PolarHBondContact O-N 3.07Å; L206-N208 VanDerWaalsContact O-N 3.11Å; N208-K210 VanDerWaalsContact C-N 3.3Å; N208-K210 PolarHBondContact O-N 3.35Å; N208-K210 WeakPolarHBondContact OD1-CA 3.28Å; N208-K210 WeakPolarHBondContact OD1-CB 3.44Å; N208-K210 PolarHBondContact OD1-N 2.91Å; N208-V211 HydrophobicContact CB-CB 4.08Å; N208-V211 HydrophobicContact CB-CG2 3.94Å; N208-V211 PolarHBondContact O-N 2.82Å; N208-V211 PolarHBondContact OD1-N 3.09Å; N208-V212 WeakPolarHBondContact O-CG2 3.21Å; N208-V212 PolarHBondContact O-N 3.17Å; N208-E268 PolarHBondContact ND2-OE1 3.43Å; N208-L269 HydrophobicContact CB-CD2 4.17Å
209T97.8Very high96.5Very high125 Ų12552.1 Ų52.177%0.76730%0.297SS*.Hα-helixtrans-65.2-31.4-177.2500000112.9V212 E213T209-V212 PolarHBondContact O-N 2.74Å; T209-E213 WeakPolarHBondContact O-CB 3.49Å; T209-E213 PolarHBondContact O-N 2.93Å
210K98.2Very high96.7Very high84 Ų8458.2 Ų58.237%0.36533%0.326SS..Hα-helixtrans-67.1-40.4176.4-168.671.5-157.3160.70111.4N208 E213 L214 E268N208-K210 VanDerWaalsContact C-N 3.3Å; N208-K210 PolarHBondContact O-N 3.35Å; N208-K210 WeakPolarHBondContact OD1-CA 3.28Å; N208-K210 WeakPolarHBondContact OD1-CB 3.44Å; N208-K210 PolarHBondContact OD1-N 2.91Å; K210-E213 VanDerWaalsContact NZ-CD 3.32Å; K210-E213 IonicContact NZ-OE1 2.97Å; K210-E213 PolarHBondContact NZ-OE1 2.91Å; K210-E213 IonicContact NZ-OE2 2.68Å; K210-E213 PolarHBondContact NZ-OE2 3.05Å; K210-E213 PolarHBondContact O-N 3.2Å; K210-L214 WeakPolarHBondContact O-CG 3.45Å; K210-L214 PolarHBondContact O-N 3.12Å; K210-E268 HydrophobicContact CB-CG 4.24Å; K210-E268 HydrophobicContact CG-CG 4.24Å
211V98.4Very high96.8Very high0 Ų056.3 Ų56.30%031%0.312CS..Hα-helixtrans-64.9-42.9174172.20000111.1L148 L203 L206 N208 E213 L214 L215 A265 E268 L269L148-V211 HydrophobicContact CD1-CG1 4.11Å; L203-V211 HydrophobicContact CD2-CG1 4.32Å; L206-V211 HydrophobicContact CD1-CG1 3.79Å; N208-V211 HydrophobicContact CB-CB 4.08Å; N208-V211 HydrophobicContact CB-CG2 3.94Å; N208-V211 PolarHBondContact O-N 2.82Å; N208-V211 PolarHBondContact OD1-N 3.09Å; V211-E213 VanDerWaalsContact C-N 3.33Å; V211-E213 PolarHBondContact O-N 2.72Å; V211-L214 PolarHBondContact O-N 2.93Å; V211-L215 HydrophobicContact CG1-CD2 4.26Å; V211-L215 WeakPolarHBondContact O-CD2 3.33Å; V211-L215 PolarHBondContact O-N 3.38Å; V211-A265 HydrophobicContact CG1-CB 4.09Å; V211-A265 HydrophobicContact CG2-CB 4.22Å; V211-E268 HydrophobicContact CG2-CB 4.32Å; V211-E268 HydrophobicContact CG2-CG 3.84Å; V211-L269 HydrophobicContact CG2-CD2 3.8Å; V211-L269 HydrophobicContact CG2-CG 3.79Å
212V98.5Very high96.9Very high56 Ų5652 Ų5234%0.33929%0.289SS..Hα-helixtrans-58.1-46.3174.2175.50000110.7L203 N208 T209 L215 A216L203-V212 HydrophobicContact CB-CG2 4.22Å; N208-V212 WeakPolarHBondContact O-CG2 3.21Å; N208-V212 PolarHBondContact O-N 3.17Å; T209-V212 PolarHBondContact O-N 2.74Å; V212-L215 PolarHBondContact O-N 3.13Å; V212-A216 WeakPolarHBondContact O-CB 3.15Å; V212-A216 PolarHBondContact O-N 3.02Å
213E98.5Very high96.9Very high108 Ų10855.5 Ų55.551%0.50531%0.306SS..Hα-helixtrans-61.1-46.9177.6-171.9-164.2159.200112T209 K210 V211 L215 A216 S217T209-E213 WeakPolarHBondContact O-CB 3.49Å; T209-E213 PolarHBondContact O-N 2.93Å; K210-E213 VanDerWaalsContact NZ-CD 3.32Å; K210-E213 IonicContact NZ-OE1 2.97Å; K210-E213 PolarHBondContact NZ-OE1 2.91Å; K210-E213 IonicContact NZ-OE2 2.68Å; K210-E213 PolarHBondContact NZ-OE2 3.05Å; K210-E213 PolarHBondContact O-N 3.2Å; V211-E213 VanDerWaalsContact C-N 3.33Å; V211-E213 PolarHBondContact O-N 2.72Å; E213-L215 PolarHBondContact O-N 3.14Å; E213-A216 PolarHBondContact O-N 3.16Å; E213-S217 WeakPolarHBondContact O-CB 3.24Å; E213-S217 PolarHBondContact O-N 3.25Å; E213-S217 PolarHBondContact O-OG 3.01Å
214L98.5Very high96.8Very high15 Ų1559.4 Ų59.48%0.07933%0.325CS..Hα-helixtrans-58-49.5177.8-76.6173.1000111.1K210 V211 S217 A218 Q264 A265K210-L214 WeakPolarHBondContact O-CG 3.45Å; K210-L214 PolarHBondContact O-N 3.12Å; V211-L214 PolarHBondContact O-N 2.93Å; L214-S217 PolarHBondContact O-N 3.35Å; L214-S217 PolarHBondContact O-OG 3.46Å; L214-A218 PolarHBondContact O-N 3.37Å; L214-Q264 HydrophobicContact CD1-CG 4.2Å; L214-A265 HydrophobicContact CD1-CB 3.99Å
215L98.4Very high96.6Very high1 Ų156.4 Ų56.41%0.00530%0.3CS..Hα-helixtrans-75.3-33.4-176.1-83.6-67.2000112.4L148 I155 L203 V211 V212 E213 S217 A218 L219 L258 S262 A265L148-L215 HydrophobicContact CD1-CD2 3.99Å; L148-L215 HydrophobicContact CD1-CG 4.15Å; I155-L215 HydrophobicContact CD1-CD1 4.22Å; L203-L215 HydrophobicContact CD1-CB 3.88Å; L203-L215 HydrophobicContact CD2-CB 3.82Å; L203-L215 HydrophobicContact CD2-CG 3.91Å; V211-L215 HydrophobicContact CG1-CD2 4.26Å; V211-L215 WeakPolarHBondContact O-CD2 3.33Å; V211-L215 PolarHBondContact O-N 3.38Å; V212-L215 PolarHBondContact O-N 3.13Å; E213-L215 PolarHBondContact O-N 3.14Å; L215-S217 VanDerWaalsContact C-N 3.34Å; L215-A218 WeakPolarHBondContact O-CB 3.4Å; L215-A218 PolarHBondContact O-N 2.94Å; L215-L219 PolarHBondContact O-N 2.99Å; L215-L258 HydrophobicContact CD1-CD1 3.84Å; L215-S262 WeakPolarHBondContact CD1-OG 3.42Å; L215-A265 HydrophobicContact CD2-CB 3.56Å
216A98.3Very high96.2Very high42 Ų4252 Ų5235%0.34728%0.278SS..Hα-helixtrans-62.7-41.7170.300000111.3V212 E213 A218 L219 M220V212-A216 WeakPolarHBondContact O-CB 3.15Å; V212-A216 PolarHBondContact O-N 3.02Å; E213-A216 PolarHBondContact O-N 3.16Å; A216-A218 VanDerWaalsContact C-N 3.34Å; A216-A218 PolarHBondContact O-N 2.84Å; A216-L219 WeakPolarHBondContact O-CB 3.19Å; A216-L219 PolarHBondContact O-N 2.87Å; A216-M220 PolarHBondContact O-N 3.32Å
217S98.5Very high95.8Very high26 Ų2659.7 Ų59.718%0.18231%0.307CS..Hα-helixtrans-67.3-33.9174.977.20000112.7E213 L214 L215 L219 M220 D221 K261E213-S217 WeakPolarHBondContact O-CB 3.24Å; E213-S217 PolarHBondContact O-N 3.25Å; E213-S217 PolarHBondContact O-OG 3.01Å; L214-S217 PolarHBondContact O-N 3.35Å; L214-S217 PolarHBondContact O-OG 3.46Å; L215-S217 VanDerWaalsContact C-N 3.34Å; S217-L219 VanDerWaalsContact C-N 3.32Å; S217-M220 PolarHBondContact O-N 2.92Å; S217-D221 VanDerWaalsContact O-CG 3.23Å; S217-D221 PolarHBondContact O-N 3.38Å; S217-K261 PolarHBondContact O-NZ 3Å; S217-K261 WeakPolarHBondContact OG-CE 3.46Å; S217-K261 PolarHBondContact OG-NZ 3.32Å
218A98.2Very high95.3Very high0 Ų054.3 Ų54.30%028%0.282CS..Hα-helixtrans-63.9-38.8172.400000112L214 L215 A216 D221 L222 L258 K261L214-A218 PolarHBondContact O-N 3.37Å; L215-A218 WeakPolarHBondContact O-CB 3.4Å; L215-A218 PolarHBondContact O-N 2.94Å; A216-A218 VanDerWaalsContact C-N 3.34Å; A216-A218 PolarHBondContact O-N 2.84Å; A218-D221 PolarHBondContact O-N 3.36Å; A218-L222 VanDerWaalsContact O-CG 3.3Å; A218-L222 WeakPolarHBondContact O-CG 3.13Å; A218-L222 PolarHBondContact O-N 3.48Å; A218-L258 HydrophobicContact CB-CD1 4.28Å; A218-K261 HydrophobicContact CB-CB 4.02Å; A218-K261 HydrophobicContact CB-CD 3.6Å; A218-K261 HydrophobicContact CB-CG 4.38Å
219L96.7Very high94.5Very high52 Ų5255.3 Ų55.327%0.27229%0.285SS..Hα-helixtrans-64.4-42.3175.3-178.866.7000111.7I155 L196 L215 A216 S217 L222 V223I155-L219 HydrophobicContact CG2-CD1 4.3Å; L196-L219 HydrophobicContact CD1-CD1 3.97Å; L196-L219 HydrophobicContact CD1-CD2 3.92Å; L196-L219 HydrophobicContact CD2-CD2 4.18Å; L215-L219 PolarHBondContact O-N 2.99Å; A216-L219 WeakPolarHBondContact O-CB 3.19Å; A216-L219 PolarHBondContact O-N 2.87Å; S217-L219 VanDerWaalsContact C-N 3.32Å; L219-L222 PolarHBondContact O-N 2.93Å; L219-V223 WeakPolarHBondContact O-CG2 3.34Å; L219-V223 PolarHBondContact O-N 3.33Å
220M97.3Very high93.2Very high127 Ų12755 Ų5563%0.62628%0.279SS*.Hα-helixtrans-59.6-47174.3-69.9-171.8-71.700111.4A216 S217 L222 V223 Q224A216-M220 PolarHBondContact O-N 3.32Å; S217-M220 PolarHBondContact O-N 2.92Å; M220-L222 VanDerWaalsContact C-N 3.34Å; M220-L222 PolarHBondContact O-N 3.39Å; M220-V223 PolarHBondContact O-N 3.14Å; M220-Q224 WeakPolarHBondContact O-CB 3.38Å; M220-Q224 PolarHBondContact O-N 2.96Å
221D97.9Very high91.2Very high27 Ų2754 Ų5414%0.14428%0.283CS..Hα-helixtrans-58.2-46176.3-65.8-15000111.5S217 A218 V223 Q224 G225 L253 A257 K261S217-D221 VanDerWaalsContact O-CG 3.23Å; S217-D221 PolarHBondContact O-N 3.38Å; A218-D221 PolarHBondContact O-N 3.36Å; D221-V223 PolarHBondContact O-N 2.6Å; D221-Q224 PolarHBondContact O-N 3.49Å; D221-G225 PolarHBondContact O-N 3.41Å; D221-L253 CarbonylContact C-O 3.54Å; D221-L253 HydrophobicContact CB-CD2 3.68Å; D221-L253 WeakPolarHBondContact O-CB 3.34Å; D221-A257 HydrophobicContact CB-CB 3.55Å; D221-A257 WeakPolarHBondContact OD2-CB 3.45Å; D221-K261 IonicContact OD1-NZ 3.65Å; D221-K261 VanDerWaalsContact OD2-CE 3.31Å; D221-K261 WeakPolarHBondContact OD2-CE 3.5Å; D221-K261 IonicContact OD2-NZ 3.93Å; D221-K261 PolarHBondContact OD2-NZ 3.26Å
222L94.9Very high89.1Confident4 Ų454.1 Ų54.12%0.02128%0.284CS..Hα-helixtrans-59.3-46.2178.4-74.7174.2000111.9I155 L159 A218 L219 M220 G225 V226 L253 S254 L258I155-L222 HydrophobicContact CG2-CD1 4.12Å; L159-L222 HydrophobicContact CD2-CD1 4.15Å; L159-L222 HydrophobicContact CD2-CD2 3.82Å; L159-L222 HydrophobicContact CD2-CG 4.39Å; A218-L222 VanDerWaalsContact O-CG 3.3Å; A218-L222 WeakPolarHBondContact O-CG 3.13Å; A218-L222 PolarHBondContact O-N 3.48Å; L219-L222 PolarHBondContact O-N 2.93Å; M220-L222 VanDerWaalsContact C-N 3.34Å; M220-L222 PolarHBondContact O-N 3.39Å; L222-G225 PolarHBondContact O-N 2.96Å; L222-V226 WeakPolarHBondContact O-CG2 3.5Å; L222-V226 PolarHBondContact O-N 2.99Å; L222-L253 WeakPolarHBondContact CA-O 3.42Å; L222-L253 WeakPolarHBondContact CD2-O 3.44Å; L222-L253 PolarHBondContact N-O 2.73Å; L222-S254 WeakPolarHBondContact CD2-O 3.26Å; L222-L258 HydrophobicContact CD1-CB 3.95Å; L222-L258 HydrophobicContact CD1-CD2 4.09Å; L222-L258 HydrophobicContact CD1-CG 4.44Å; L222-L258 HydrophobicContact CD2-CB 4.37Å; L222-L258 HydrophobicContact CG-CB 4.37Å
223V93.4Very high86.7Confident91 Ų9154.3 Ų54.355%0.55229%0.287SS*.Hα-helixtrans-64.1-43.7179.4172.30000110.7L219 M220 D221 G225 V226 Y227L219-V223 WeakPolarHBondContact O-CG2 3.34Å; L219-V223 PolarHBondContact O-N 3.33Å; M220-V223 PolarHBondContact O-N 3.14Å; D221-V223 PolarHBondContact O-N 2.6Å; V223-G225 VanDerWaalsContact C-N 3.34Å; V223-G225 PolarHBondContact O-N 3.49Å; V223-V226 PolarHBondContact O-N 2.82Å; V223-Y227 PolarHBondContact O-N 3.28Å
224Q93.4Very high84.3Confident95 Ų9555.3 Ų55.344%0.44429%0.29SS..Hα-helixtrans-60.8-44.3174.8-177.2178.2-12.800111.3M220 D221 V226 Y227 H228 L253M220-Q224 WeakPolarHBondContact O-CB 3.38Å; M220-Q224 PolarHBondContact O-N 2.96Å; D221-Q224 PolarHBondContact O-N 3.49Å; Q224-V226 PolarHBondContact O-N 3.37Å; Q224-Y227 WeakPolarHBondContact O-CB 3.36Å; Q224-Y227 PolarHBondContact O-N 2.94Å; Q224-H228 PolarHBondContact O-CD2 3.46Å; Q224-H228 PolarHBondContact O-N 3.34Å; Q224-L253 HydrophobicContact CG-CD1 4.06Å
225G91.1Very high81.7Confident0 Ų062.7 Ų62.70%032%0.324CS..Hα-helixtrans-60.6-42.7176.200000113D221 L222 V223 Y227 H228 E229D221-G225 PolarHBondContact O-N 3.41Å; L222-G225 PolarHBondContact O-N 2.96Å; V223-G225 VanDerWaalsContact C-N 3.34Å; V223-G225 PolarHBondContact O-N 3.49Å; G225-Y227 VanDerWaalsContact C-N 3.31Å; G225-Y227 PolarHBondContact O-N 2.74Å; G225-H228 PolarHBondContact O-N 2.89Å; G225-E229 WeakPolarHBondContact O-CG 3.49Å; G225-E229 PolarHBondContact O-N 3.45Å
226V86.3Confident79.3Confident25 Ų2563.3 Ų63.315%0.15233%0.329CS..Hα-helixtrans-64.4-36.9174.31700000111.7L159 L222 V223 Q224 H228 E229 N230L159-V226 HydrophobicContact CD1-CG2 3.76Å; L222-V226 WeakPolarHBondContact O-CG2 3.5Å; L222-V226 PolarHBondContact O-N 2.99Å; V223-V226 PolarHBondContact O-N 2.82Å; Q224-V226 PolarHBondContact O-N 3.37Å; V226-H228 VanDerWaalsContact C-N 3.32Å; V226-H228 PolarHBondContact O-N 3.48Å; V226-E229 PolarHBondContact O-N 3.13Å; V226-N230 WeakPolarHBondContact CG1-ND2 3.3Å; V226-N230 WeakPolarHBondContact O-CB 3.44Å; V226-N230 PolarHBondContact O-N 3.31Å
227Y86.6Confident77.1Confident172 Ų17265.2 Ų65.268%0.67533%0.327SS*.Hα-helixtrans-60.8-44.7175.4-166.6-94.6000111V223 Q224 G225 E229 N230 S231V223-Y227 PolarHBondContact O-N 3.28Å; Q224-Y227 WeakPolarHBondContact O-CB 3.36Å; Q224-Y227 PolarHBondContact O-N 2.94Å; G225-Y227 VanDerWaalsContact C-N 3.31Å; G225-Y227 PolarHBondContact O-N 2.74Å; Y227-E229 VanDerWaalsContact C-N 3.35Å; Y227-E229 PolarHBondContact O-N 3.09Å; Y227-N230 PolarHBondContact O-N 3.34Å; Y227-S231 VanDerWaalsContact O-CB 3.31Å; Y227-S231 WeakPolarHBondContact O-CB 3.19Å; Y227-S231 PolarHBondContact O-N 3.02Å; Y227-S231 PolarHBondContact O-OG 3.37Å; Y227-S231 VanDerWaalsContact O-OG 3.07Å
228H84.3Confident74.8Confident54 Ų5466.6 Ų66.625%0.2533%0.332CS..Hα-helixtrans-62.3-37.8175.3-68.4-54.4000113.3Q224 G225 V226 S231 Q250Q224-H228 PolarHBondContact O-CD2 3.46Å; Q224-H228 PolarHBondContact O-N 3.34Å; G225-H228 PolarHBondContact O-N 2.89Å; V226-H228 VanDerWaalsContact C-N 3.32Å; V226-H228 PolarHBondContact O-N 3.48Å; H228-S231 WeakPolarHBondContact CA-OG 3.38Å; H228-S231 PolarHBondContact O-OG 2.88Å; H228-S231 VanDerWaalsContact O-OG 3.08Å; H228-Q250 HydrophobicContact CB-CB 4.4Å; H228-Q250 HydrophobicContact CB-CG 3.85Å
229E79.4Confident72.4Confident57 Ų5770 Ų7027%0.26635%0.353SS..Hα-helixtrans-67.4-36175.6-71.4172.3176.500112.8R163 G225 V226 Y227 T232 S254 H255R163-E229 IonicContact CZ-OE2 2.67Å; R163-E229 VanDerWaalsContact CZ-OE2 3.31Å; R163-E229 IonicContact NE-OE2 3.24Å; R163-E229 VanDerWaalsContact NH2-CD 3.28Å; R163-E229 IonicContact NH2-OE1 2.73Å; R163-E229 PolarHBondContact NH2-OE1 2.99Å; R163-E229 VanDerWaalsContact NH2-OE1 3.13Å; R163-E229 IonicContact NH2-OE2 2.79Å; R163-E229 PolarHBondContact NH2-OE2 3.16Å; G225-E229 WeakPolarHBondContact O-CG 3.49Å; G225-E229 PolarHBondContact O-N 3.45Å; V226-E229 PolarHBondContact O-N 3.13Å; Y227-E229 VanDerWaalsContact C-N 3.35Å; Y227-E229 PolarHBondContact O-N 3.09Å; E229-T232 PolarHBondContact O-OG1 3.22Å; E229-S254 WeakPolarHBondContact OE1-CB 3.5Å; E229-S254 PolarHBondContact OE1-OG 3.22Å; E229-H255 IonicContact OE1-CE1 3.17Å; E229-H255 PolarHBondContact OE1-CE1 3.42Å; E229-H255 IonicContact OE1-ND1 3.26Å
230N69.9Low70.6Confident119 Ų11970.3 Ų70.364%0.63636%0.355SS*.Hα-helixtrans-90.7-22.5-175.7-72.3-19.1000113.9V226 Y227 T232V226-N230 WeakPolarHBondContact CG1-ND2 3.3Å; V226-N230 WeakPolarHBondContact O-CB 3.44Å; V226-N230 PolarHBondContact O-N 3.31Å; Y227-N230 PolarHBondContact O-N 3.34Å; N230-T232 PolarHBondContact O-N 2.99Å
231S57.3Low69.2Low64 Ų6468.7 Ų68.745%0.44835%0.349SS..Hα-helixtrans-66.1-22.2177.952.50000112.7Y227 H228 S233Y227-S231 VanDerWaalsContact O-CB 3.31Å; Y227-S231 WeakPolarHBondContact O-CB 3.19Å; Y227-S231 PolarHBondContact O-N 3.02Å; Y227-S231 PolarHBondContact O-OG 3.37Å; Y227-S231 VanDerWaalsContact O-OG 3.07Å; H228-S231 WeakPolarHBondContact CA-OG 3.38Å; H228-S231 PolarHBondContact O-OG 2.88Å; H228-S231 VanDerWaalsContact O-OG 3.08Å; S231-S233 PolarHBondContact O-N 2.85Å
232T53.2Low68.4Low2 Ų268.2 Ų68.21%0.01235%0.346CS..SBendtrans-74.6102.1167.433.40000109.8E229 N230 S236 Y237 D240 I242 N314E229-T232 PolarHBondContact O-OG1 3.22Å; N230-T232 PolarHBondContact O-N 2.99Å; T232-S236 WeakPolarHBondContact CA-OG 3.32Å; T232-Y237 WeakPolarHBondContact O-CE1 3.38Å; T232-Y237 PolarHBondContact O-OH 3.33Å; T232-D240 HydrophobicContact CG2-CB 4.11Å; T232-D240 WeakPolarHBondContact CG2-OD2 3.39Å; T232-I242 HydrophobicContact CG2-CD1 4.45Å; T232-N314 PolarHBondContact OG1-ND2 2.81Å
233S48.3Very low68.1Low60 Ų6069 Ų6942%0.4236%0.356SS..  trans-81.1169173.668.80000112.2S231 E235 S236 Y237S231-S233 PolarHBondContact O-N 2.85Å; S233-E235 PolarHBondContact O-N 2.9Å; S233-S236 WeakPolarHBondContact O-CA 3.27Å; S233-S236 PolarHBondContact O-N 2.8Å; S233-Y237 VanDerWaalsContact C-CE2 3.41Å; S233-Y237 VanDerWaalsContact C-CZ 3.42Å; S233-Y237 VanDerWaalsContact O-CD2 3.25Å; S233-Y237 WeakPolarHBondContact O-CD2 3.32Å; S233-Y237 VanDerWaalsContact O-CE2 3.26Å; S233-Y237 WeakPolarHBondContact O-CE2 3.39Å; S233-Y237 PolarHBondContact O-N 3.47Å
234K49.3Very low68Low129 Ų12965.8 Ų65.856%0.56134%0.335SS*.THydrogen-bonded Turntrans-49.6-25.8175.1-84.2175.5174.4164.30115.9E170 Y237E170-K234 WeakPolarHBondContact OE2-CE 3.47Å; E170-K234 IonicContact OE2-NZ 2.66Å; E170-K234 PolarHBondContact OE2-NZ 3.46Å; K234-Y237 VanDerWaalsContact CA-CD2 3.45Å; K234-Y237 HydrophobicContact CB-CE2 4.11Å; K234-Y237 HydrophobicContact CG-CE2 3.78Å; K234-Y237 VanDerWaalsContact N-CE2 3.33Å
235E44Very low68Low169 Ų16965.4 Ų65.479%0.7934%0.343SS*.THydrogen-bonded Turntrans-93.6-21.9177.3-67.5170.5168.200112.3S233S233-E235 PolarHBondContact O-N 2.9Å
236S48Very low68.1Low15 Ų1568 Ų6811%0.10536%0.359CS..THydrogen-bonded Turntrans-87-21.5-177.2150.40000114.2T232 S233 I238 T239 D240T232-S236 WeakPolarHBondContact CA-OG 3.32Å; S233-S236 WeakPolarHBondContact O-CA 3.27Å; S233-S236 PolarHBondContact O-N 2.8Å; S236-I238 PolarHBondContact O-N 3.46Å; S236-I238 VanDerWaalsContact O-N 3.08Å; S236-T239 WeakPolarHBondContact CA-OG1 3.5Å; S236-T239 PolarHBondContact O-N 3.27Å; S236-T239 PolarHBondContact O-OG1 3.02Å; S236-D240 PolarHBondContact O-N 3.46Å; S236-D240 PolarHBondContact OG-OD1 3.23Å; S236-D240 PolarHBondContact OG-OD2 3.17Å
237Y50.2Low68.4Low81 Ų8167.1 Ų67.132%0.31835%0.353SS..THydrogen-bonded Turntrans-61.2-20.9176.7-49.5-57.8000114.3T232 S233 K234T232-Y237 WeakPolarHBondContact O-CE1 3.38Å; T232-Y237 PolarHBondContact O-OH 3.33Å; S233-Y237 VanDerWaalsContact C-CE2 3.41Å; S233-Y237 VanDerWaalsContact C-CZ 3.42Å; S233-Y237 VanDerWaalsContact O-CD2 3.25Å; S233-Y237 WeakPolarHBondContact O-CD2 3.32Å; S233-Y237 VanDerWaalsContact O-CE2 3.26Å; S233-Y237 WeakPolarHBondContact O-CE2 3.39Å; S233-Y237 PolarHBondContact O-N 3.47Å; K234-Y237 VanDerWaalsContact CA-CD2 3.45Å; K234-Y237 HydrophobicContact CB-CE2 4.11Å; K234-Y237 HydrophobicContact CG-CE2 3.78Å; K234-Y237 VanDerWaalsContact N-CE2 3.33Å
238I51.5Low68.9Low55 Ų5562.4 Ų62.428%0.28234%0.336SS..THydrogen-bonded Turntrans-88.6-18.7177.7-51.3-177.8000110.4S236 I334S236-I238 PolarHBondContact O-N 3.46Å; S236-I238 VanDerWaalsContact O-N 3.08Å; I238-I334 HydrophobicContact CD1-CG2 4.06Å; I238-I334 HydrophobicContact CG1-CG2 4Å; I238-I334 HydrophobicContact CG2-CG2 4.04Å
239T47.5Very low69.4Low71 Ų7165.8 Ų65.844%0.43635%0.352SS..THydrogen-bonded Turntrans-116.2-19.8-168.859.40000115.3S236 D241 R327S236-T239 WeakPolarHBondContact CA-OG1 3.5Å; S236-T239 PolarHBondContact O-N 3.27Å; S236-T239 PolarHBondContact O-OG1 3.02Å; T239-D241 PolarHBondContact O-N 3.17Å; T239-R327 PolarHBondContact O-NH2 3.28Å
240D58.8Low70.1Confident60 Ų6064.6 Ų64.632%0.32135%0.346SS..  trans-77.3114.9-176.1-80.326.2000111.1T232 S236 I242T232-D240 HydrophobicContact CG2-CB 4.11Å; T232-D240 WeakPolarHBondContact CG2-OD2 3.39Å; S236-D240 PolarHBondContact O-N 3.46Å; S236-D240 PolarHBondContact OG-OD1 3.23Å; S236-D240 PolarHBondContact OG-OD2 3.17Å; D240-I242 HydrophobicContact CB-CD1 4.29Å; D240-I242 HydrophobicContact CB-CG1 4.02Å; D240-I242 PolarHBondContact O-N 3.47Å
241D67.9Low71.2Confident93 Ų9359.3 Ų59.350%0.49732%0.318SS..  trans-84.958.7-178.7-1598.8000110.5T239 G243 R327T239-D241 PolarHBondContact O-N 3.17Å; D241-G243 PolarHBondContact O-N 3.34Å; D241-G243 VanDerWaalsContact O-N 3.11Å; D241-R327 VanDerWaalsContact CB-NH1 3.33Å; D241-R327 WeakPolarHBondContact OD2-CD 3.44Å; D241-R327 IonicContact OD2-CZ 2.67Å; D241-R327 IonicContact OD2-NE 2.79Å; D241-R327 IonicContact OD2-NH1 3.33Å; D241-R327 PolarHBondContact OD2-NH1 2.97Å
242I81.1Confident73.1Confident16 Ų1658 Ų588%0.08230%0.304CS..  trans-77.1102-179.2-53.2-179.8000107.6T232 D240 T246 W247 V319T232-I242 HydrophobicContact CG2-CD1 4.45Å; D240-I242 HydrophobicContact CB-CD1 4.29Å; D240-I242 HydrophobicContact CB-CG1 4.02Å; D240-I242 PolarHBondContact O-N 3.47Å; I242-T246 HydrophobicContact CG2-CG2 3.9Å; I242-W247 HydrophobicContact CG2-CB 4.18Å; I242-V319 VanDerWaalsContact O-CG1 3.24Å; I242-V319 WeakPolarHBondContact O-CG1 3.39Å
243G88.3Confident75.2Confident22 Ų2258.6 Ų58.623%0.22731%0.307CS..  trans-69.6164.1169.600000112.6D241 S245 T246 W247D241-G243 PolarHBondContact O-N 3.34Å; D241-G243 VanDerWaalsContact O-N 3.11Å; G243-S245 PolarHBondContact O-N 3.39Å; G243-S245 VanDerWaalsContact O-N 3.14Å; G243-T246 PolarHBondContact O-N 3.41Å; G243-T246 VanDerWaalsContact O-N 3.13Å; G243-W247 PolarHBondContact O-N 2.88Å
244I92.8Very high77.3Confident23 Ų2355.8 Ų55.812%0.11829%0.288CS..Hα-helixtrans-59.9-29-175.6-16758.7000113.7W247 K248 V319 L320 E323 L364I244-W247 HydrophobicContact CD1-CB 4.44Å; I244-W247 HydrophobicContact CD1-CD2 4.23Å; I244-W247 HydrophobicContact CD1-CE3 3.74Å; I244-W247 HydrophobicContact CD1-CZ3 4.5Å; I244-K248 WeakPolarHBondContact O-CB 3.42Å; I244-K248 VanDerWaalsContact O-CG 3.26Å; I244-K248 WeakPolarHBondContact O-CG 3.46Å; I244-K248 PolarHBondContact O-N 2.66Å; I244-V319 HydrophobicContact CB-CG1 4.42Å; I244-V319 HydrophobicContact CD1-CG1 4.24Å; I244-L320 HydrophobicContact CB-CD2 4.16Å; I244-L320 HydrophobicContact CD1-CD1 4.34Å; I244-L320 HydrophobicContact CD1-CD2 3.88Å; I244-L320 HydrophobicContact CD1-CG 3.83Å; I244-L320 HydrophobicContact CG1-CD2 3.78Å; I244-L320 HydrophobicContact CG1-CG 4.32Å; I244-E323 WeakPolarHBondContact CB-OE2 3.41Å; I244-E323 WeakPolarHBondContact CG2-OE2 3.42Å; I244-E323 PolarHBondContact N-OE2 2.88Å; I244-L364 HydrophobicContact CD1-CD2 4.14Å; I244-L364 HydrophobicContact CG1-CD2 4.47Å
245S93.3Very high79.3Confident86 Ų8651.2 Ų51.260%0.60127%0.268SS*.Hα-helixtrans-63.3-50.1175.8530000111.6G243 W247 K248 E249G243-S245 PolarHBondContact O-N 3.39Å; G243-S245 VanDerWaalsContact O-N 3.14Å; S245-W247 VanDerWaalsContact C-N 3.35Å; S245-K248 WeakPolarHBondContact O-CB 3.39Å; S245-K248 PolarHBondContact O-N 2.98Å; S245-E249 PolarHBondContact O-N 3.23Å; S245-E249 VanDerWaalsContact O-N 3.16Å
246T92.1Very high81.8Confident56 Ų5643.1 Ų43.134%0.34423%0.231SC..Hα-helixtrans-65.3-41.5178.7-53.40000110.6I242 G243 K248 E249 Q250I242-T246 HydrophobicContact CG2-CG2 3.9Å; G243-T246 PolarHBondContact O-N 3.41Å; G243-T246 VanDerWaalsContact O-N 3.13Å; T246-K248 VanDerWaalsContact C-N 3.32Å; T246-K248 PolarHBondContact O-N 3.43Å; T246-E249 PolarHBondContact O-N 3.21Å; T246-Q250 HydrophobicContact CG2-CG 4.34Å; T246-Q250 WeakPolarHBondContact O-CB 3.4Å; T246-Q250 WeakPolarHBondContact O-CG 3.29Å; T246-Q250 PolarHBondContact O-N 2.86Å
247W93.4Very high84.2Confident5 Ų542.4 Ų42.42%0.01923%0.226CC..Hα-helixtrans-57.7-43.7174.5178.787.6000112I242 G243 I244 S245 E249 T251 M289 I293 N314 A316 V319 L364I242-W247 HydrophobicContact CG2-CB 4.18Å; G243-W247 PolarHBondContact O-N 2.88Å; I244-W247 HydrophobicContact CD1-CB 4.44Å; I244-W247 HydrophobicContact CD1-CD2 4.23Å; I244-W247 HydrophobicContact CD1-CE3 3.74Å; I244-W247 HydrophobicContact CD1-CZ3 4.5Å; S245-W247 VanDerWaalsContact C-N 3.35Å; W247-E249 PolarHBondContact O-N 3.4Å; W247-T251 HydrophobicContact CH2-CG2 3.94Å; W247-T251 HydrophobicContact CZ2-CG2 4.02Å; W247-T251 WeakPolarHBondContact CZ2-OG1 3.46Å; W247-T251 WeakPolarHBondContact O-CB 3.39Å; W247-T251 PolarHBondContact O-N 3.04Å; W247-T251 PolarHBondContact O-OG1 3.03Å; W247-M289 HydrophobicContact CH2-CE 4.49Å; W247-M289 HydrophobicContact CZ3-CE 4.04Å; W247-I293 HydrophobicContact CH2-CD1 4.39Å; W247-I293 HydrophobicContact CH2-CG1 3.57Å; W247-I293 HydrophobicContact CZ3-CG1 4.14Å; W247-N314 PolarHBondContact NE1-O 3.37Å; W247-A316 HydrophobicContact CD2-CB 4.48Å; W247-A316 HydrophobicContact CH2-CB 3.7Å; W247-A316 HydrophobicContact CZ2-CB 3.58Å; W247-A316 HydrophobicContact CZ3-CB 4.14Å; W247-V319 HydrophobicContact CB-CG1 4.13Å; W247-V319 HydrophobicContact CB-CG2 4.48Å; W247-V319 HydrophobicContact CG-CG1 4.5Å; W247-V319 HydrophobicContact CG-CG2 4.29Å; W247-L364 HydrophobicContact CZ3-CD2 4.29Å
248K95.9Very high86.4Confident73 Ų7338.6 Ų38.632%0.31721%0.211SC..Hα-helixtrans-62.3-43.2178.5-77.8171.4-179.8176.30111.9I244 S245 T246 F252 M289I244-K248 WeakPolarHBondContact O-CB 3.42Å; I244-K248 VanDerWaalsContact O-CG 3.26Å; I244-K248 WeakPolarHBondContact O-CG 3.46Å; I244-K248 PolarHBondContact O-N 2.66Å; S245-K248 WeakPolarHBondContact O-CB 3.39Å; S245-K248 PolarHBondContact O-N 2.98Å; T246-K248 VanDerWaalsContact C-N 3.32Å; T246-K248 PolarHBondContact O-N 3.43Å; K248-F252 WeakPolarHBondContact O-CB 3.35Å; K248-F252 PolarHBondContact O-N 2.95Å; K248-M289 HydrophobicContact CB-CE 4.3Å; K248-M289 HydrophobicContact CG-CE 4.29Å
249E95.4Very high88.7Confident125 Ų12536.2 Ų36.258%0.58420%0.199SC*.Hα-helixtrans-64.3-53.3178.4-176.4174-170.500111.2S245 T246 W247 T251 F252 L253S245-E249 PolarHBondContact O-N 3.23Å; S245-E249 VanDerWaalsContact O-N 3.16Å; T246-E249 PolarHBondContact O-N 3.21Å; W247-E249 PolarHBondContact O-N 3.4Å; E249-T251 VanDerWaalsContact C-N 3.28Å; E249-T251 PolarHBondContact O-N 3.5Å; E249-F252 WeakPolarHBondContact O-CB 3.17Å; E249-F252 PolarHBondContact O-N 3.17Å; E249-F252 VanDerWaalsContact O-N 3.14Å; E249-L253 WeakPolarHBondContact O-CG 3.33Å; E249-L253 PolarHBondContact O-N 2.89Å
250Q93.9Very high91.1Very high32 Ų3232.8 Ų32.815%0.1518%0.178CC..Hα-helixtrans-59.1-41.1178.5-68.3176-1000111.9H228 T246 L253 S254H228-Q250 HydrophobicContact CB-CB 4.4Å; H228-Q250 HydrophobicContact CB-CG 3.85Å; T246-Q250 HydrophobicContact CG2-CG 4.34Å; T246-Q250 WeakPolarHBondContact O-CB 3.4Å; T246-Q250 WeakPolarHBondContact O-CG 3.29Å; T246-Q250 PolarHBondContact O-N 2.86Å; Q250-L253 PolarHBondContact O-N 3.19Å; Q250-S254 WeakPolarHBondContact O-CB 3.27Å; Q250-S254 PolarHBondContact O-N 3.46Å; Q250-S254 PolarHBondContact O-OG 3.19Å
251T93.6Very high93Very high8 Ų831.2 Ų31.25%0.04917%0.168CC..Hα-helixtrans-67.3-39.3178-61.70000112W247 E249 L253 S254 H255 M289 K292W247-T251 HydrophobicContact CH2-CG2 3.94Å; W247-T251 HydrophobicContact CZ2-CG2 4.02Å; W247-T251 WeakPolarHBondContact CZ2-OG1 3.46Å; W247-T251 WeakPolarHBondContact O-CB 3.39Å; W247-T251 PolarHBondContact O-N 3.04Å; W247-T251 PolarHBondContact O-OG1 3.03Å; E249-T251 VanDerWaalsContact C-N 3.28Å; E249-T251 PolarHBondContact O-N 3.5Å; T251-L253 VanDerWaalsContact C-N 3.35Å; T251-S254 PolarHBondContact O-N 2.92Å; T251-H255 WeakPolarHBondContact O-CB 3.43Å; T251-H255 PolarHBondContact O-N 3.16Å; T251-M289 HydrophobicContact CG2-CE 4.12Å; T251-M289 HydrophobicContact CG2-SD 3.83Å; T251-K292 HydrophobicContact CG2-CB 4.23Å; T251-K292 HydrophobicContact CG2-CG 3.53Å
252F97.4Very high94.5Very high36 Ų3626.8 Ų26.816%0.15814%0.144CC..Iπ-helixtrans-60.3-48.2173.5171.4-105.8000110.6K248 E249 S254 G256 A257 A260 F281 K285 M289K248-F252 WeakPolarHBondContact O-CB 3.35Å; K248-F252 PolarHBondContact O-N 2.95Å; E249-F252 WeakPolarHBondContact O-CB 3.17Å; E249-F252 PolarHBondContact O-N 3.17Å; E249-F252 VanDerWaalsContact O-N 3.14Å; F252-S254 PolarHBondContact O-N 3.36Å; F252-G256 CarbonylContact O-C 3.5Å; F252-G256 VanDerWaalsContact O-CA 3.28Å; F252-G256 WeakPolarHBondContact O-CA 3.44Å; F252-G256 PolarHBondContact O-N 2.91Å; F252-A257 HydrophobicContact CE1-CB 4.29Å; F252-A257 HydrophobicContact CZ-CB 4.2Å; F252-A257 PolarHBondContact O-N 3.44Å; F252-A260 HydrophobicContact CE2-CB 4.15Å; F252-F281 HydrophobicContact CE2-CZ 4.3Å; F252-F281 HydrophobicContact CZ-CE2 4.31Å; F252-F281 AromaticContact CZ-CZ 3.79Å; F252-F281 HydrophobicContact CZ-CZ 3.79Å; F252-K285 HydrophobicContact CD2-CD 4.27Å; F252-K285 HydrophobicContact CD2-CG 3.81Å; F252-K285 HydrophobicContact CE2-CB 4.05Å; F252-K285 HydrophobicContact CE2-CD 3.98Å; F252-K285 HydrophobicContact CE2-CG 3.7Å; F252-M289 HydrophobicContact CB-SD 4.12Å
253L96.8Very high95.3Very high15 Ų1526 Ų268%0.07914%0.14CC..Iπ-helixtrans-57.9-49178.1-66.6178.4000111.7D221 L222 Q224 E249 Q250 T251D221-L253 CarbonylContact C-O 3.54Å; D221-L253 HydrophobicContact CB-CD2 3.68Å; D221-L253 WeakPolarHBondContact O-CB 3.34Å; L222-L253 WeakPolarHBondContact CA-O 3.42Å; L222-L253 WeakPolarHBondContact CD2-O 3.44Å; L222-L253 PolarHBondContact N-O 2.73Å; Q224-L253 HydrophobicContact CG-CD1 4.06Å; E249-L253 WeakPolarHBondContact O-CG 3.33Å; E249-L253 PolarHBondContact O-N 2.89Å; Q250-L253 PolarHBondContact O-N 3.19Å; T251-L253 VanDerWaalsContact C-N 3.35Å
254S92.8Very high95.8Very high2 Ų226.9 Ų26.91%0.01414%0.139CC..Iπ-helixtrans-84.9-18.6-171.673.60000115.6L222 E229 Q250 T251 F252L222-S254 WeakPolarHBondContact CD2-O 3.26Å; E229-S254 WeakPolarHBondContact OE1-CB 3.5Å; E229-S254 PolarHBondContact OE1-OG 3.22Å; Q250-S254 WeakPolarHBondContact O-CB 3.27Å; Q250-S254 PolarHBondContact O-N 3.46Å; Q250-S254 PolarHBondContact O-OG 3.19Å; T251-S254 PolarHBondContact O-N 2.92Å; F252-S254 PolarHBondContact O-N 3.36Å
255H91.6Very high96.1Very high32 Ų3225.8 Ų25.815%0.14813%0.133CC..Iπ-helixtrans-129.3-31.8-176.4-66.779.1000114.7E229 T251 K292E229-H255 IonicContact OE1-CE1 3.17Å; E229-H255 PolarHBondContact OE1-CE1 3.42Å; E229-H255 IonicContact OE1-ND1 3.26Å; T251-H255 WeakPolarHBondContact O-CB 3.43Å; T251-H255 PolarHBondContact O-N 3.16Å; H255-K292 HydrophobicContact CB-CB 4.46Å; H255-K292 HydrophobicContact CB-CG 4.4Å
256G95.3Very high96.3Very high0 Ų021.7 Ų21.70%010%0.104CC..Iπ-helixtrans-97.8-36.4-170.200000115.6F252 L258 L259 A260F252-G256 CarbonylContact O-C 3.5Å; F252-G256 VanDerWaalsContact O-CA 3.28Å; F252-G256 WeakPolarHBondContact O-CA 3.44Å; F252-G256 PolarHBondContact O-N 2.91Å; G256-L258 VanDerWaalsContact C-N 3.34Å; G256-L258 PolarHBondContact O-N 3.32Å; G256-L259 PolarHBondContact O-N 3.39Å; G256-L259 VanDerWaalsContact O-N 3.14Å; G256-A260 WeakPolarHBondContact O-CB 3.26Å; G256-A260 PolarHBondContact O-N 2.74Å
257A98.1Very high96.6Very high0 Ų019 Ų190%09%0.088CC..Hα-helixtrans-56.3-44.9-169.500000113D221 F252 A260 K261D221-A257 HydrophobicContact CB-CB 3.55Å; D221-A257 WeakPolarHBondContact OD2-CB 3.45Å; F252-A257 HydrophobicContact CE1-CB 4.29Å; F252-A257 HydrophobicContact CZ-CB 4.2Å; F252-A257 PolarHBondContact O-N 3.44Å; A257-A260 PolarHBondContact O-N 3.42Å; A257-K261 WeakPolarHBondContact O-CB 3.48Å; A257-K261 WeakPolarHBondContact O-CG 3.43Å; A257-K261 PolarHBondContact O-N 3.18Å
258L98Very high96.8Very high1 Ų121 Ų211%0.00510%0.097CC..Hα-helixtrans-60.5-48.5178-179.162.5000112.3T152 I155 H156 L215 A218 L222 G256 S262T152-L258 HydrophobicContact CG2-CD1 4.27Å; T152-L258 HydrophobicContact CG2-CD2 4.32Å; T152-L258 HydrophobicContact CG2-CG 4.03Å; I155-L258 HydrophobicContact CB-CD1 4.34Å; I155-L258 HydrophobicContact CB-CD2 4.28Å; I155-L258 HydrophobicContact CD1-CD1 4.35Å; I155-L258 HydrophobicContact CG2-CD1 4.02Å; I155-L258 HydrophobicContact CG2-CD2 3.98Å; H156-L258 HydrophobicContact CB-CD2 3.89Å; L215-L258 HydrophobicContact CD1-CD1 3.84Å; A218-L258 HydrophobicContact CB-CD1 4.28Å; L222-L258 HydrophobicContact CD1-CB 3.95Å; L222-L258 HydrophobicContact CD1-CD2 4.09Å; L222-L258 HydrophobicContact CD1-CG 4.44Å; L222-L258 HydrophobicContact CD2-CB 4.37Å; L222-L258 HydrophobicContact CG-CB 4.37Å; G256-L258 VanDerWaalsContact C-N 3.34Å; G256-L258 PolarHBondContact O-N 3.32Å; L258-S262 VanDerWaalsContact O-CB 3.22Å; L258-S262 WeakPolarHBondContact O-CB 3.38Å; L258-S262 PolarHBondContact O-N 2.83Å; L258-S262 PolarHBondContact O-OG 2.63Å
259L98Very high96.7Very high4 Ų418.2 Ų18.22%0.0219%0.086CC..Hα-helixtrans-66.5-45.1-178.9-174.656.4000111.3R112 V115 V116 G256 S262 C263 M287 A288R112-L259 HydrophobicContact CB-CD1 3.92Å; R112-L259 HydrophobicContact CG-CD1 4.13Å; V115-L259 HydrophobicContact CB-CD1 4.04Å; V115-L259 HydrophobicContact CG1-CD1 3.73Å; V115-L259 HydrophobicContact CG1-CD2 4.28Å; V115-L259 HydrophobicContact CG1-CG 4.32Å; V116-L259 HydrophobicContact CG2-CD1 4.42Å; G256-L259 PolarHBondContact O-N 3.39Å; G256-L259 VanDerWaalsContact O-N 3.14Å; L259-S262 PolarHBondContact O-N 3.08Å; L259-C263 PolarHBondContact O-N 3.46Å; L259-C263 PolarHBondContact O-SG 3.06Å; L259-M287 HydrophobicContact CD2-SD 4.2Å; L259-A288 HydrophobicContact CB-CB 4.3Å; L259-A288 HydrophobicContact CD2-CB 4.05Å
260A98.7Very high96.7Very high0 Ų012.4 Ų12.40%06%0.059CC..Hα-helixtrans-57.9-51.6179.300000111.8F252 G256 A257 C263 Q264 F281 K285F252-A260 HydrophobicContact CE2-CB 4.15Å; G256-A260 WeakPolarHBondContact O-CB 3.26Å; G256-A260 PolarHBondContact O-N 2.74Å; A257-A260 PolarHBondContact O-N 3.42Å; A260-C263 PolarHBondContact O-N 3.37Å; A260-Q264 PolarHBondContact O-N 3.01Å; A260-F281 HydrophobicContact CB-CD2 3.64Å; A260-F281 HydrophobicContact CB-CE2 3.58Å; A260-F281 HydrophobicContact CB-CG 4.22Å; A260-F281 HydrophobicContact CB-CZ 4.12Å; A260-K285 HydrophobicContact CB-CB 3.86Å
261K98.8Very high96.6Very high26 Ų2615.8 Ų15.811%0.1137%0.073CC..Hα-helixtrans-71.3-30.9-178.5-68.4175.3171.4-1770112.4S217 A218 D221 A257 Q264 A265 F281S217-K261 PolarHBondContact O-NZ 3Å; S217-K261 WeakPolarHBondContact OG-CE 3.46Å; S217-K261 PolarHBondContact OG-NZ 3.32Å; A218-K261 HydrophobicContact CB-CB 4.02Å; A218-K261 HydrophobicContact CB-CD 3.6Å; A218-K261 HydrophobicContact CB-CG 4.38Å; D221-K261 IonicContact OD1-NZ 3.65Å; D221-K261 VanDerWaalsContact OD2-CE 3.31Å; D221-K261 WeakPolarHBondContact OD2-CE 3.5Å; D221-K261 IonicContact OD2-NZ 3.93Å; D221-K261 PolarHBondContact OD2-NZ 3.26Å; A257-K261 WeakPolarHBondContact O-CB 3.48Å; A257-K261 WeakPolarHBondContact O-CG 3.43Å; A257-K261 PolarHBondContact O-N 3.18Å; K261-Q264 PolarHBondContact O-N 2.97Å; K261-A265 VanDerWaalsContact O-CB 3.22Å; K261-A265 WeakPolarHBondContact O-CB 3.33Å; K261-A265 PolarHBondContact O-N 3.11Å; K261-F281 HydrophobicContact CG-CD2 4.32Å; K261-F281 HydrophobicContact CG-CE2 3.97Å
262S98.7Very high96.7Very high0 Ų016.4 Ų16.40%08%0.076CC..Hα-helixtrans-67.9-40.4171.7-68.60000112.7T152 L215 L258 L259 Q264 A265 A266T152-S262 VanDerWaalsContact CG2-OG 3.24Å; T152-S262 WeakPolarHBondContact CG2-OG 3.48Å; T152-S262 WeakPolarHBondContact OG1-CB 3.44Å; T152-S262 PolarHBondContact OG1-OG 2.88Å; L215-S262 WeakPolarHBondContact CD1-OG 3.42Å; L258-S262 VanDerWaalsContact O-CB 3.22Å; L258-S262 WeakPolarHBondContact O-CB 3.38Å; L258-S262 PolarHBondContact O-N 2.83Å; L258-S262 PolarHBondContact O-OG 2.63Å; L259-S262 PolarHBondContact O-N 3.08Å; S262-Q264 VanDerWaalsContact C-N 3.35Å; S262-A265 PolarHBondContact O-N 3.02Å; S262-A266 WeakPolarHBondContact O-CB 3.48Å; S262-A266 PolarHBondContact O-N 2.87Å
263C98.7Very high96.6Very high0 Ų018.9 Ų18.90%09%0.09CC..Hα-helixtrans-62.2-43.3173.5-70.40000111.3I119 L259 A260 A266 M267 A280I119-C263 HydrophobicContact CG2-CB 4.23Å; L259-C263 PolarHBondContact O-N 3.46Å; L259-C263 PolarHBondContact O-SG 3.06Å; A260-C263 PolarHBondContact O-N 3.37Å; C263-A266 WeakPolarHBondContact O-CB 3.36Å; C263-A266 PolarHBondContact O-N 3.09Å; C263-M267 PolarHBondContact O-N 2.85Å; C263-A280 HydrophobicContact CB-CB 4.13Å; C263-A280 WeakPolarHBondContact CB-O 3.41Å; C263-A280 WeakPolarHBondContact O-CB 3.18Å
264Q98.8Very high96.6Very high41 Ų4121.9 Ų21.919%0.19212%0.118CC..Hα-helixtrans-60.3-49.3173.6-169.6179.810.700112.2L214 A260 K261 S262 A266 M267 E268 Q277 F281L214-Q264 HydrophobicContact CD1-CG 4.2Å; A260-Q264 PolarHBondContact O-N 3.01Å; K261-Q264 PolarHBondContact O-N 2.97Å; S262-Q264 VanDerWaalsContact C-N 3.35Å; Q264-A266 PolarHBondContact O-N 2.84Å; Q264-M267 WeakPolarHBondContact O-CB 3.05Å; Q264-M267 PolarHBondContact O-N 2.93Å; Q264-E268 PolarHBondContact O-N 3.28Å; Q264-Q277 HydrophobicContact CG-CB 4.12Å; Q264-F281 HydrophobicContact CB-CB 4.08Å; Q264-F281 HydrophobicContact CG-CB 4.41Å
265A98.7Very high96.8Very high0 Ų028.7 Ų28.70%015%0.149CC..Hα-helixtrans-62-31179.500000112.5L148 V211 L214 L215 K261 S262 M267 E268 L269L148-A265 HydrophobicContact CD1-CB 4.37Å; L148-A265 HydrophobicContact CD2-CB 3.65Å; V211-A265 HydrophobicContact CG1-CB 4.09Å; V211-A265 HydrophobicContact CG2-CB 4.22Å; L214-A265 HydrophobicContact CD1-CB 3.99Å; L215-A265 HydrophobicContact CD2-CB 3.56Å; K261-A265 VanDerWaalsContact O-CB 3.22Å; K261-A265 WeakPolarHBondContact O-CB 3.33Å; K261-A265 PolarHBondContact O-N 3.11Å; S262-A265 PolarHBondContact O-N 3.02Å; A265-M267 VanDerWaalsContact C-N 3.31Å; A265-M267 PolarHBondContact O-N 3.1Å; A265-E268 PolarHBondContact O-N 3.02Å; A265-L269 WeakPolarHBondContact O-CG 3.43Å; A265-L269 PolarHBondContact O-N 3.41Å
266A97.9Very high97Very high0 Ų028.5 Ų28.50%015%0.15CC..Hα-helixtrans-65.6-35.617500000112.5V116 Q145 L148 S262 C263 Q264 A270V116-A266 HydrophobicContact CG1-CB 4.1Å; Q145-A266 PolarHBondContact NE2-O 3.18Å; L148-A266 HydrophobicContact CD2-CB 3.99Å; L148-A266 VanDerWaalsContact CD2-N 3.33Å; S262-A266 WeakPolarHBondContact O-CB 3.48Å; S262-A266 PolarHBondContact O-N 2.87Å; C263-A266 WeakPolarHBondContact O-CB 3.36Å; C263-A266 PolarHBondContact O-N 3.09Å; Q264-A266 PolarHBondContact O-N 2.84Å; A266-A270 PolarHBondContact O-N 3.47Å
267M97.6Very high97.1Very high0 Ų029.7 Ų29.70%016%0.156CC..Hα-helixtrans-72-40.9174.6-64.9-54.210000111.5I119 A123 C263 Q264 A265 L269 A270 K271 H272 V276 Q277 A280 F379I119-M267 HydrophobicContact CG1-CE 4.47Å; I119-M267 HydrophobicContact CG2-CE 4.33Å; A123-M267 HydrophobicContact CB-CE 3.67Å; A123-M267 HydrophobicContact CB-SD 3.38Å; A123-M267 WeakPolarHBondContact CB-SD 3.26Å; C263-M267 PolarHBondContact O-N 2.85Å; Q264-M267 WeakPolarHBondContact O-CB 3.05Å; Q264-M267 PolarHBondContact O-N 2.93Å; A265-M267 VanDerWaalsContact C-N 3.31Å; A265-M267 PolarHBondContact O-N 3.1Å; M267-L269 PolarHBondContact O-N 3.49Å; M267-A270 CarbonylContact O-C 3.47Å; M267-A270 PolarHBondContact O-N 3.3Å; M267-A270 VanDerWaalsContact O-N 3.13Å; M267-K271 PolarHBondContact O-N 2.82Å; M267-K271 VanDerWaalsContact O-N 3.08Å; M267-H272 HydrophobicContact CB-CB 4.18Å; M267-H272 PolarHBondContact O-N 3.44Å; M267-H272 VanDerWaalsContact O-N 3.08Å; M267-V276 HydrophobicContact CG-CG1 4.17Å; M267-V276 HydrophobicContact SD-CG1 3.79Å; M267-Q277 HydrophobicContact CB-CB 4.31Å; M267-Q277 HydrophobicContact CB-CG 3.64Å; M267-A280 HydrophobicContact CG-CB 3.42Å; M267-A280 VanDerWaalsContact CG-CB 3.42Å; M267-A280 HydrophobicContact SD-CB 4.46Å; M267-F379 HydrophobicContact SD-CE1 3.97Å
268E97.3Very high97.2Very high46 Ų4633.2 Ų33.222%0.21517%0.174CC..Hα-helixtrans-58.1-45.1173.3173.157.7-154.800111.7N208 K210 V211 Q264 A265 A270 K271 Q277N208-E268 PolarHBondContact ND2-OE1 3.43Å; K210-E268 HydrophobicContact CB-CG 4.24Å; K210-E268 HydrophobicContact CG-CG 4.24Å; V211-E268 HydrophobicContact CG2-CB 4.32Å; V211-E268 HydrophobicContact CG2-CG 3.84Å; Q264-E268 PolarHBondContact O-N 3.28Å; A265-E268 PolarHBondContact O-N 3.02Å; E268-A270 PolarHBondContact O-N 3.33Å; E268-K271 PolarHBondContact O-N 3.32Å; E268-Q277 PolarHBondContact OE2-NE2 2.9Å; E268-Q277 PolarHBondContact OE2-OE1 3.32Å
269L95.5Very high97.2Very high15 Ų1535 Ų358%0.07918%0.184CC..Hα-helixtrans-61-31.2175.9-75.5174.6000113.5C144 Q145 L148 L206 N208 V211 A265 M267 K271C144-L269 HydrophobicContact CB-CD1 4.23Å; C144-L269 HydrophobicContact CB-CD2 4.19Å; Q145-L269 HydrophobicContact CG-CB 4.16Å; Q145-L269 HydrophobicContact CG-CD1 4.47Å; L148-L269 HydrophobicContact CB-CD1 3.78Å; L148-L269 HydrophobicContact CD2-CD1 3.69Å; L148-L269 HydrophobicContact CG-CD1 4.28Å; L206-L269 HydrophobicContact CD1-CD1 4.33Å; N208-L269 HydrophobicContact CB-CD2 4.17Å; V211-L269 HydrophobicContact CG2-CD2 3.8Å; V211-L269 HydrophobicContact CG2-CG 3.79Å; A265-L269 WeakPolarHBondContact O-CG 3.43Å; A265-L269 PolarHBondContact O-N 3.41Å; M267-L269 PolarHBondContact O-N 3.49Å; L269-K271 VanDerWaalsContact C-N 3.34Å
270A93.7Very high97.2Very high2 Ų234.9 Ų34.92%0.01718%0.183CC..THydrogen-bonded Turntrans-89.12.3176.100000113.6S126 Y142 A266 M267 E268 H272S126-A270 VanDerWaalsContact CB-O 3.24Å; S126-A270 WeakPolarHBondContact CB-O 3.41Å; Y142-A270 HydrophobicContact CD2-CB 4.01Å; Y142-A270 HydrophobicContact CE2-CB 3.88Å; A266-A270 PolarHBondContact O-N 3.47Å; M267-A270 CarbonylContact O-C 3.47Å; M267-A270 PolarHBondContact O-N 3.3Å; M267-A270 VanDerWaalsContact O-N 3.13Å; E268-A270 PolarHBondContact O-N 3.33Å; A270-H272 VanDerWaalsContact C-N 3.28Å; A270-H272 PolarHBondContact O-N 3.04Å
271K93.6Very high97.2Very high104 Ų10436.3 Ų36.345%0.45219%0.189SC..THydrogen-bonded Turntrans57.438.5-179.1-53-178.6179.8177.30113.2S126 M267 E268 L269S126-K271 WeakPolarHBondContact CB-O 3.45Å; S126-K271 PolarHBondContact OG-O 2.94Å; M267-K271 PolarHBondContact O-N 2.82Å; M267-K271 VanDerWaalsContact O-N 3.08Å; E268-K271 PolarHBondContact O-N 3.32Å; L269-K271 VanDerWaalsContact C-N 3.34Å
272H94.7Very high97.2Very high21 Ų2137.3 Ų37.310%0.09719%0.194CC..  trans-74.1154.1165.9-74.9-71.1000110.2G124 M267 A270 V276 Q277G124-H272 PolarHBondContact O-CE1 2.99Å; G124-H272 PolarHBondContact O-NE2 3.24Å; M267-H272 HydrophobicContact CB-CB 4.18Å; M267-H272 PolarHBondContact O-N 3.44Å; M267-H272 VanDerWaalsContact O-N 3.08Å; A270-H272 VanDerWaalsContact C-N 3.28Å; A270-H272 PolarHBondContact O-N 3.04Å; H272-V276 HydrophobicContact CB-CB 3.97Å; H272-V276 HydrophobicContact CB-CG1 3.84Å; H272-Q277 PolarHBondContact O-NE2 3.32Å
273D95Very high97.2Very high87 Ų8737.3 Ų37.347%0.46519%0.194SC..  trans-67.2170.7179.36259.3000112.9E275 V276 Q277D273-E275 PolarHBondContact O-N 3.05Å; D273-E275 WeakPolarHBondContact OD1-CA 3.45Å; D273-E275 WeakPolarHBondContact OD1-CB 3.11Å; D273-E275 PolarHBondContact OD1-N 2.97Å; D273-V276 PolarHBondContact O-N 3.49Å; D273-V276 PolarHBondContact OD1-N 3.11Å; D273-Q277 VanDerWaalsContact O-CG 3.27Å; D273-Q277 WeakPolarHBondContact O-CG 3.4Å; D273-Q277 PolarHBondContact O-N 2.62Å
274A96.4Very high97.2Very high79 Ų7937.3 Ų37.365%0.65319%0.194SC*.Hα-helixtrans-62.3-27.5-176.600000113.6D278A274-D278 PolarHBondContact O-N 3.27Å
275E96.7Very high97.2Very high144 Ų14438.4 Ų38.467%0.67320%0.198SC*.Hα-helixtrans-72.2-48.4179.8-173.6179.117400110.2D273 Q277 D278 M279D273-E275 PolarHBondContact O-N 3.05Å; D273-E275 WeakPolarHBondContact OD1-CA 3.45Å; D273-E275 WeakPolarHBondContact OD1-CB 3.11Å; D273-E275 PolarHBondContact OD1-N 2.97Å; E275-Q277 VanDerWaalsContact C-N 3.29Å; E275-Q277 PolarHBondContact O-N 3.13Å; E275-D278 PolarHBondContact O-N 2.99Å; E275-M279 WeakPolarHBondContact O-CG 3.37Å; E275-M279 PolarHBondContact O-N 2.68Å
276V96.8Very high97.2Very high29 Ų2939.3 Ų39.318%0.17620%0.202CC..Hα-helixtrans-63.3-37.3175.41780000111.2M267 H272 D273 M279 A280 F379M267-V276 HydrophobicContact CG-CG1 4.17Å; M267-V276 HydrophobicContact SD-CG1 3.79Å; H272-V276 HydrophobicContact CB-CB 3.97Å; H272-V276 HydrophobicContact CB-CG1 3.84Å; D273-V276 PolarHBondContact O-N 3.49Å; D273-V276 PolarHBondContact OD1-N 3.11Å; V276-M279 PolarHBondContact O-N 3.49Å; V276-A280 PolarHBondContact O-N 3.41Å; V276-F379 HydrophobicContact CG1-CE1 3.96Å; V276-F379 HydrophobicContact CG1-CZ 4.36Å
277Q98.3Very high97.2Very high25 Ų2539.5 Ų39.512%0.11720%0.203CC..Hα-helixtrans-60.7-45.7173.2-71.8-174.537.200112.3Q264 M267 E268 H272 D273 E275 A280 F281Q264-Q277 HydrophobicContact CG-CB 4.12Å; M267-Q277 HydrophobicContact CB-CB 4.31Å; M267-Q277 HydrophobicContact CB-CG 3.64Å; E268-Q277 PolarHBondContact OE2-NE2 2.9Å; E268-Q277 PolarHBondContact OE2-OE1 3.32Å; H272-Q277 PolarHBondContact O-NE2 3.32Å; D273-Q277 VanDerWaalsContact O-CG 3.27Å; D273-Q277 WeakPolarHBondContact O-CG 3.4Å; D273-Q277 PolarHBondContact O-N 2.62Å; E275-Q277 VanDerWaalsContact C-N 3.29Å; E275-Q277 PolarHBondContact O-N 3.13Å; Q277-A280 PolarHBondContact O-N 3.16Å; Q277-F281 PolarHBondContact O-N 2.67Å
278D98.6Very high97.1Very high73 Ų7340 Ų4039%0.3921%0.207SC..Hα-helixtrans-65.3-42.1177-176.162.1000111.5A274 E275 A280 F281 Q282A274-D278 PolarHBondContact O-N 3.27Å; E275-D278 PolarHBondContact O-N 2.99Å; D278-A280 VanDerWaalsContact C-N 3.31Å; D278-A280 PolarHBondContact O-N 3.29Å; D278-F281 CarbonylContact O-C 3.57Å; D278-F281 WeakPolarHBondContact O-CA 3.49Å; D278-F281 VanDerWaalsContact O-CB 3.29Å; D278-F281 WeakPolarHBondContact O-CB 3.5Å; D278-F281 PolarHBondContact O-N 3.41Å; D278-Q282 WeakPolarHBondContact O-CG 3.44Å; D278-Q282 PolarHBondContact O-N 3.24Å; D278-Q282 PolarHBondContact OD1-NE2 3.46Å
279M98.6Very high97.1Very high40 Ų4038 Ų3820%0.19720%0.198CC..Hα-helixtrans-62.8-37.4177.6-65.5-57.3-86.200112.3E275 V276 Q282 Y283 A375 S378 F379E275-M279 WeakPolarHBondContact O-CG 3.37Å; E275-M279 PolarHBondContact O-N 2.68Å; V276-M279 PolarHBondContact O-N 3.49Å; M279-Q282 PolarHBondContact O-N 3.09Å; M279-Y283 PolarHBondContact O-N 3.45Å; M279-A375 HydrophobicContact CE-CB 4.38Å; M279-S378 WeakPolarHBondContact CE-OG 3.22Å; M279-F379 HydrophobicContact CB-CE2 4.06Å; M279-F379 HydrophobicContact CB-CZ 4.38Å
280A98.8Very high97.2Very high0 Ų037.4 Ų37.40%020%0.195CC..Hα-helixtrans-64.5-40171.700000112.2I119 C263 M267 V276 Q277 D278 Y283 G284 F379I119-A280 HydrophobicContact CG1-CB 4.19Å; C263-A280 HydrophobicContact CB-CB 4.13Å; C263-A280 WeakPolarHBondContact CB-O 3.41Å; C263-A280 WeakPolarHBondContact O-CB 3.18Å; M267-A280 HydrophobicContact CG-CB 3.42Å; M267-A280 VanDerWaalsContact CG-CB 3.42Å; M267-A280 HydrophobicContact SD-CB 4.46Å; V276-A280 PolarHBondContact O-N 3.41Å; Q277-A280 PolarHBondContact O-N 3.16Å; D278-A280 VanDerWaalsContact C-N 3.31Å; D278-A280 PolarHBondContact O-N 3.29Å; A280-Y283 PolarHBondContact O-N 3.36Å; A280-G284 PolarHBondContact O-N 3.36Å; A280-G284 VanDerWaalsContact O-N 3.07Å; A280-F379 HydrophobicContact CB-CZ 4Å
281F98.8Very high97.2Very high31 Ų3139.6 Ų39.614%0.13621%0.205CC..Hα-helixtrans-60.2-48.5173.1176.2-89.7000111.5F252 A260 K261 Q264 Q277 D278 Y283 G284 K285F252-F281 HydrophobicContact CE2-CZ 4.3Å; F252-F281 HydrophobicContact CZ-CE2 4.31Å; F252-F281 AromaticContact CZ-CZ 3.79Å; F252-F281 HydrophobicContact CZ-CZ 3.79Å; A260-F281 HydrophobicContact CB-CD2 3.64Å; A260-F281 HydrophobicContact CB-CE2 3.58Å; A260-F281 HydrophobicContact CB-CG 4.22Å; A260-F281 HydrophobicContact CB-CZ 4.12Å; K261-F281 HydrophobicContact CG-CD2 4.32Å; K261-F281 HydrophobicContact CG-CE2 3.97Å; Q264-F281 HydrophobicContact CB-CB 4.08Å; Q264-F281 HydrophobicContact CG-CB 4.41Å; Q277-F281 PolarHBondContact O-N 2.67Å; D278-F281 CarbonylContact O-C 3.57Å; D278-F281 WeakPolarHBondContact O-CA 3.49Å; D278-F281 VanDerWaalsContact O-CB 3.29Å; D278-F281 WeakPolarHBondContact O-CB 3.5Å; D278-F281 PolarHBondContact O-N 3.41Å; F281-Y283 PolarHBondContact O-N 2.97Å; F281-G284 PolarHBondContact O-N 2.89Å; F281-K285 HydrophobicContact CE1-CB 4.46Å; F281-K285 HydrophobicContact CE1-CD 3.93Å; F281-K285 HydrophobicContact CZ-CD 4.48Å; F281-K285 WeakPolarHBondContact O-CB 3.4Å; F281-K285 PolarHBondContact O-N 3.19Å
282Q98.8Very high97.2Very high46 Ų4636.1 Ų36.122%0.21519%0.19CC..Hα-helixtrans-61.2-43.9179.7-63.2-49.6-32.400111.1D278 M279 K285 H286 A375D278-Q282 WeakPolarHBondContact O-CG 3.44Å; D278-Q282 PolarHBondContact O-N 3.24Å; D278-Q282 PolarHBondContact OD1-NE2 3.46Å; M279-Q282 PolarHBondContact O-N 3.09Å; Q282-K285 PolarHBondContact O-N 3.37Å; Q282-H286 WeakPolarHBondContact O-CB 3.41Å; Q282-H286 PolarHBondContact O-CD2 3.12Å; Q282-H286 VanDerWaalsContact O-CD2 3.26Å; Q282-H286 PolarHBondContact O-N 3.43Å; Q282-A375 HydrophobicContact CB-CB 4.03Å
283Y98.8Very high97.2Very high0 Ų035.1 Ų35.10%019%0.185CC..Hα-helixtrans-55.7-54.7174.4175.1-96.8000111.4V115 I119 M279 A280 F281 K285 H286 M287 A372 L376 L388 V392V115-Y283 HydrophobicContact CG1-CD1 4.28Å; V115-Y283 HydrophobicContact CG1-CE1 3.64Å; I119-Y283 HydrophobicContact CD1-CD1 4.19Å; I119-Y283 HydrophobicContact CD1-CG 4.38Å; M279-Y283 PolarHBondContact O-N 3.45Å; A280-Y283 PolarHBondContact O-N 3.36Å; F281-Y283 PolarHBondContact O-N 2.97Å; Y283-K285 VanDerWaalsContact C-N 3.34Å; Y283-K285 PolarHBondContact O-N 3.49Å; Y283-H286 PolarHBondContact O-N 3.33Å; Y283-M287 HydrophobicContact CE1-CB 4.3Å; Y283-M287 HydrophobicContact CE1-CG 4.49Å; Y283-M287 HydrophobicContact CE2-CB 4.5Å; Y283-M287 WeakPolarHBondContact O-CB 3.32Å; Y283-M287 PolarHBondContact O-N 3.36Å; Y283-A372 HydrophobicContact CD2-CB 3.97Å; Y283-A372 WeakPolarHBondContact CD2-O 3.16Å; Y283-A372 HydrophobicContact CE2-CB 4.13Å; Y283-L376 HydrophobicContact CD2-CD1 3.96Å; Y283-L376 HydrophobicContact CD2-CD2 3.48Å; Y283-L376 VanDerWaalsContact CD2-CD2 3.48Å; Y283-L376 HydrophobicContact CD2-CG 3.51Å; Y283-L376 HydrophobicContact CE2-CD1 3.61Å; Y283-L376 HydrophobicContact CE2-CD2 3.78Å; Y283-L376 HydrophobicContact CE2-CG 3.73Å; Y283-L376 HydrophobicContact CG-CD2 3.91Å; Y283-L376 HydrophobicContact CG-CG 4.39Å; Y283-L388 HydrophobicContact CE1-CD2 3.69Å; Y283-L388 HydrophobicContact CE2-CB 4.21Å; Y283-L388 WeakPolarHBondContact OH-CB 3.18Å; Y283-L388 VanDerWaalsContact OH-CD2 3.28Å; Y283-L388 WeakPolarHBondContact OH-CD2 3.44Å; Y283-L388 PolarHBondContact OH-O 2.96Å; Y283-V392 HydrophobicContact CE2-CG2 3.93Å
284G98.3Very high97.2Very high0 Ų032.1 Ų32.10%017%0.169CC..Hα-helixtrans-61.2-40.8-177.900000112.9A280 F281 A288A280-G284 PolarHBondContact O-N 3.36Å; A280-G284 VanDerWaalsContact O-N 3.07Å; F281-G284 PolarHBondContact O-N 2.89Å; G284-A288 VanDerWaalsContact O-CB 3.28Å; G284-A288 WeakPolarHBondContact O-CB 3.28Å; G284-A288 PolarHBondContact O-N 3.21Å
285K98.6Very high96.9Very high65 Ų6531.4 Ų31.428%0.28316%0.159SC..Hα-helixtrans-60.2-54.7175.3171.5177.3177.5-174.50111.4F252 A260 F281 Q282 Y283 A288 M289F252-K285 HydrophobicContact CD2-CD 4.27Å; F252-K285 HydrophobicContact CD2-CG 3.81Å; F252-K285 HydrophobicContact CE2-CB 4.05Å; F252-K285 HydrophobicContact CE2-CD 3.98Å; F252-K285 HydrophobicContact CE2-CG 3.7Å; A260-K285 HydrophobicContact CB-CB 3.86Å; F281-K285 HydrophobicContact CE1-CB 4.46Å; F281-K285 HydrophobicContact CE1-CD 3.93Å; F281-K285 HydrophobicContact CZ-CD 4.48Å; F281-K285 WeakPolarHBondContact O-CB 3.4Å; F281-K285 PolarHBondContact O-N 3.19Å; Q282-K285 PolarHBondContact O-N 3.37Å; Y283-K285 VanDerWaalsContact C-N 3.34Å; Y283-K285 PolarHBondContact O-N 3.49Å; K285-A288 PolarHBondContact O-N 2.88Å; K285-M289 WeakPolarHBondContact O-CB 3.4Å; K285-M289 VanDerWaalsContact O-CG 3.24Å; K285-M289 WeakPolarHBondContact O-CG 2.91Å; K285-M289 PolarHBondContact O-N 3.21Å
286H98.7Very high96.7Very high19 Ų1925.1 Ų25.19%0.08813%0.13CC..Hα-helixtrans-72-37.3-173.4-81.9-76.6000112.3Q282 Y283 S290 H368 K371 A372Q282-H286 WeakPolarHBondContact O-CB 3.41Å; Q282-H286 PolarHBondContact O-CD2 3.12Å; Q282-H286 VanDerWaalsContact O-CD2 3.26Å; Q282-H286 PolarHBondContact O-N 3.43Å; Y283-H286 PolarHBondContact O-N 3.33Å; H286-S290 WeakPolarHBondContact O-CB 3.46Å; H286-S290 PolarHBondContact O-N 2.79Å; H286-H368 WeakPolarHBondContact CB-O 3.39Å; H286-H368 AromaticContact CE1-ND1 3.67Å; H286-H368 AromaticContact ND1-CE1 3.85Å; H286-H368 AromaticContact ND1-CG 3.87Å; H286-H368 AromaticContact ND1-ND1 3.01Å; H286-H368 PolarHBondContact ND1-ND1 3.08Å; H286-K371 HydrophobicContact CB-CB 4.16Å; H286-K371 VanDerWaalsContact ND1-CB 3.28Å; H286-K371 WeakPolarHBondContact ND1-CB 3.35Å; H286-A372 HydrophobicContact CB-CB 3.87Å
287M97.2Very high96.5Very high4 Ų423.7 Ų23.72%0.0212%0.122CC..Hα-helixtrans-59-53.4171.6-171-65.2165.200110.5L111 L259 Y283 M289 S290 H291 A372 I391 V392 V395L111-M287 HydrophobicContact CD1-CE 4.46Å; L111-M287 HydrophobicContact CD2-CE 3.68Å; L111-M287 HydrophobicContact CD2-SD 4.49Å; L111-M287 HydrophobicContact CG-CE 4.34Å; L259-M287 HydrophobicContact CD2-SD 4.2Å; Y283-M287 HydrophobicContact CE1-CB 4.3Å; Y283-M287 HydrophobicContact CE1-CG 4.49Å; Y283-M287 HydrophobicContact CE2-CB 4.5Å; Y283-M287 WeakPolarHBondContact O-CB 3.32Å; Y283-M287 PolarHBondContact O-N 3.36Å; M287-M289 VanDerWaalsContact C-N 3.33Å; M287-M289 PolarHBondContact O-N 2.93Å; M287-S290 WeakPolarHBondContact O-CB 3.46Å; M287-S290 PolarHBondContact O-N 3.28Å; M287-S290 VanDerWaalsContact O-N 3.12Å; M287-H291 HydrophobicContact CE-CB 4.1Å; M287-H291 PolarHBondContact O-N 2.88Å; M287-H291 HydrophobicContact SD-CB 4.08Å; M287-A372 HydrophobicContact CB-CB 4.49Å; M287-I391 HydrophobicContact CE-CG2 3.4Å; M287-I391 VanDerWaalsContact CE-CG2 3.4Å; M287-V392 HydrophobicContact CG-CG2 4.48Å; M287-V395 HydrophobicContact CE-CG2 3.86Å
288A96.3Very high96.1Very high10 Ų1024.3 Ų24.38%0.08312%0.124CC..Hα-helixtrans-61.5-40.8-176.600000112.6L259 G284 K285 H291 K292L259-A288 HydrophobicContact CB-CB 4.3Å; L259-A288 HydrophobicContact CD2-CB 4.05Å; G284-A288 VanDerWaalsContact O-CB 3.28Å; G284-A288 WeakPolarHBondContact O-CB 3.28Å; G284-A288 PolarHBondContact O-N 3.21Å; K285-A288 PolarHBondContact O-N 2.88Å; A288-H291 PolarHBondContact O-N 2.75Å; A288-K292 WeakPolarHBondContact O-CB 3.22Å; A288-K292 PolarHBondContact O-N 2.99Å
289M97.6Very high95.6Very high4 Ų421.4 Ų21.42%0.0211%0.11CC..Hα-helixtrans-60.4-48.7173.5-71.7-63-67.800111.1W247 K248 T251 F252 K285 M287 H291 K292 I293 H368W247-M289 HydrophobicContact CH2-CE 4.49Å; W247-M289 HydrophobicContact CZ3-CE 4.04Å; K248-M289 HydrophobicContact CB-CE 4.3Å; K248-M289 HydrophobicContact CG-CE 4.29Å; T251-M289 HydrophobicContact CG2-CE 4.12Å; T251-M289 HydrophobicContact CG2-SD 3.83Å; F252-M289 HydrophobicContact CB-SD 4.12Å; K285-M289 WeakPolarHBondContact O-CB 3.4Å; K285-M289 VanDerWaalsContact O-CG 3.24Å; K285-M289 WeakPolarHBondContact O-CG 2.91Å; K285-M289 PolarHBondContact O-N 3.21Å; M287-M289 VanDerWaalsContact C-N 3.33Å; M287-M289 PolarHBondContact O-N 2.93Å; M289-H291 VanDerWaalsContact C-N 3.34Å; M289-H291 PolarHBondContact O-N 3.29Å; M289-K292 PolarHBondContact O-N 3.11Å; M289-I293 WeakPolarHBondContact O-CD1 3.41Å; M289-I293 WeakPolarHBondContact O-CG1 3.17Å; M289-I293 PolarHBondContact O-N 2.98Å; M289-H368 HydrophobicContact CB-CB 4.28Å; M289-H368 WeakPolarHBondContact CB-ND1 3.31Å
290S96.5Very high95.2Very high2 Ų219.8 Ų19.81%0.01410%0.102CC..Hα-helixtrans-58.6-44.9177.7-172.50000111.8H286 M287 K292 I293 N294 C365 V395H286-S290 WeakPolarHBondContact O-CB 3.46Å; H286-S290 PolarHBondContact O-N 2.79Å; M287-S290 WeakPolarHBondContact O-CB 3.46Å; M287-S290 PolarHBondContact O-N 3.28Å; M287-S290 VanDerWaalsContact O-N 3.12Å; S290-K292 PolarHBondContact O-N 3.38Å; S290-I293 PolarHBondContact O-N 2.77Å; S290-N294 WeakPolarHBondContact O-CB 3.06Å; S290-N294 PolarHBondContact O-N 3.34Å; S290-C365 PolarHBondContact O-SG 3.47Å; S290-C365 VanDerWaalsContact O-SG 3.41Å; S290-C365 PolarHBondContact OG-O 3.33Å; S290-C365 VanDerWaalsContact OG-O 3.12Å; S290-C365 PolarHBondContact OG-SG 3.04Å; S290-V395 WeakPolarHBondContact OG-CG1 3.35Å
291H93.6Very high94.6Very high49 Ų4922 Ų2223%0.22711%0.113CC..Hα-helixtrans-62.4-42.6178.2-178.5-89.9000112.3M287 A288 M289 N294 S295 V395M287-H291 HydrophobicContact CE-CB 4.1Å; M287-H291 PolarHBondContact O-N 2.88Å; M287-H291 HydrophobicContact SD-CB 4.08Å; A288-H291 PolarHBondContact O-N 2.75Å; M289-H291 VanDerWaalsContact C-N 3.34Å; M289-H291 PolarHBondContact O-N 3.29Å; H291-N294 PolarHBondContact O-N 3.26Å; H291-S295 PolarHBondContact O-N 2.83Å; H291-V395 HydrophobicContact CB-CG1 4.34Å; H291-V395 HydrophobicContact CB-CG2 4.46Å
292K93.9Very high93.6Very high31 Ų3125.6 Ų25.614%0.13513%0.129CC..Hα-helixtrans-64.7-44.6176.5178.149178.6152.70111.7T251 H255 A288 M289 S290 N294 S295 D296T251-K292 HydrophobicContact CG2-CB 4.23Å; T251-K292 HydrophobicContact CG2-CG 3.53Å; H255-K292 HydrophobicContact CB-CB 4.46Å; H255-K292 HydrophobicContact CB-CG 4.4Å; A288-K292 WeakPolarHBondContact O-CB 3.22Å; A288-K292 PolarHBondContact O-N 2.99Å; M289-K292 PolarHBondContact O-N 3.11Å; S290-K292 PolarHBondContact O-N 3.38Å; K292-N294 PolarHBondContact O-N 2.81Å; K292-S295 WeakPolarHBondContact O-CB 3.35Å; K292-S295 PolarHBondContact O-N 3.45Å; K292-D296 IonicContact NZ-OD1 3.16Å; K292-D296 PolarHBondContact NZ-OD1 3.36Å; K292-D296 IonicContact NZ-OD2 3.13Å; K292-D296 PolarHBondContact O-N 2.7Å
293I95.9Very high91.7Very high0 Ų033 Ų330%016%0.163CC..Hα-helixtrans-63.5-42.2176.8-59.7156.2000110.8W247 M289 S290 S295 D296 V297 A316 A361 L364 C365W247-I293 HydrophobicContact CH2-CD1 4.39Å; W247-I293 HydrophobicContact CH2-CG1 3.57Å; W247-I293 HydrophobicContact CZ3-CG1 4.14Å; M289-I293 WeakPolarHBondContact O-CD1 3.41Å; M289-I293 WeakPolarHBondContact O-CG1 3.17Å; M289-I293 PolarHBondContact O-N 2.98Å; S290-I293 PolarHBondContact O-N 2.77Å; I293-S295 VanDerWaalsContact C-N 3.31Å; I293-S295 PolarHBondContact O-N 3.33Å; I293-D296 WeakPolarHBondContact O-CB 3.05Å; I293-D296 PolarHBondContact O-N 3.25Å; I293-V297 HydrophobicContact CG2-CG2 4.31Å; I293-V297 VanDerWaalsContact O-CG2 3.32Å; I293-V297 WeakPolarHBondContact O-CG2 3.34Å; I293-V297 PolarHBondContact O-N 3.09Å; I293-A316 HydrophobicContact CG2-CB 4.23Å; I293-A361 HydrophobicContact CG2-CB 4.34Å; I293-A361 WeakPolarHBondContact CG2-O 3.42Å; I293-L364 HydrophobicContact CD1-CD2 4.07Å; I293-L364 HydrophobicContact CD1-CG 3.81Å; I293-C365 HydrophobicContact CB-CB 3.98Å; I293-C365 HydrophobicContact CG2-CB 3.66Å
294N93.3Very high89.9Confident24 Ų2442.5 Ų42.513%0.12820%0.204CC..Hα-helixtrans-56.3-48.2174.8178.3-79.1000111S290 H291 K292 D296 V297 Q298 V395 F398S290-N294 WeakPolarHBondContact O-CB 3.06Å; S290-N294 PolarHBondContact O-N 3.34Å; H291-N294 PolarHBondContact O-N 3.26Å; K292-N294 PolarHBondContact O-N 2.81Å; N294-D296 VanDerWaalsContact C-N 3.3Å; N294-D296 PolarHBondContact O-N 3.28Å; N294-V297 PolarHBondContact O-N 2.81Å; N294-V297 VanDerWaalsContact O-N 3.14Å; N294-Q298 WeakPolarHBondContact O-CG 3.07Å; N294-Q298 PolarHBondContact O-N 3.47Å; N294-Q298 VanDerWaalsContact O-N 3.16Å; N294-Q298 PolarHBondContact OD1-NE2 3.42Å; N294-V395 HydrophobicContact CB-CG1 3.81Å; N294-V395 PolarHBondContact ND2-O 3.01Å; N294-F398 WeakPolarHBondContact ND2-CE1 3.29Å
295S90.2Very high88.1Confident64 Ų6443.6 Ų43.645%0.44821%0.211SC..Hα-helixtrans-57.5-42.8177.2-174.60000112.1H291 K292 I293 V297 Q298H291-S295 PolarHBondContact O-N 2.83Å; K292-S295 WeakPolarHBondContact O-CB 3.35Å; K292-S295 PolarHBondContact O-N 3.45Å; I293-S295 VanDerWaalsContact C-N 3.31Å; I293-S295 PolarHBondContact O-N 3.33Å; S295-V297 VanDerWaalsContact C-N 3.32Å; S295-V297 PolarHBondContact O-N 3.42Å; S295-Q298 PolarHBondContact O-N 3.12Å
296D92.3Very high86.3Confident11 Ų1143.7 Ų43.76%0.05922%0.22CC..Hα-helixtrans-66.3-30.1177.6-79.6-0.2000113.4K292 I293 N294 P299 F300 S315 A316K292-D296 IonicContact NZ-OD1 3.16Å; K292-D296 PolarHBondContact NZ-OD1 3.36Å; K292-D296 IonicContact NZ-OD2 3.13Å; K292-D296 PolarHBondContact O-N 2.7Å; I293-D296 WeakPolarHBondContact O-CB 3.05Å; I293-D296 PolarHBondContact O-N 3.25Å; N294-D296 VanDerWaalsContact C-N 3.3Å; N294-D296 PolarHBondContact O-N 3.28Å; D296-P299 VanDerWaalsContact O-CD 3.29Å; D296-P299 WeakPolarHBondContact O-CD 3.16Å; D296-F300 WeakPolarHBondContact O-CD2 3.06Å; D296-F300 WeakPolarHBondContact O-CE2 3.48Å; D296-S315 WeakPolarHBondContact OD2-CA 3.31Å; D296-A316 PolarHBondContact OD2-N 3.17Å
297V93.4Very high84.6Confident0 Ų049 Ų490%025%0.249CC..Hα-helixtrans-78.2-29.5178169.90000112.2I293 N294 S295 P299 F300 I301 P317 V358 A361 I362 F398I293-V297 HydrophobicContact CG2-CG2 4.31Å; I293-V297 VanDerWaalsContact O-CG2 3.32Å; I293-V297 WeakPolarHBondContact O-CG2 3.34Å; I293-V297 PolarHBondContact O-N 3.09Å; N294-V297 PolarHBondContact O-N 2.81Å; N294-V297 VanDerWaalsContact O-N 3.14Å; S295-V297 VanDerWaalsContact C-N 3.32Å; S295-V297 PolarHBondContact O-N 3.42Å; V297-P299 VanDerWaalsContact O-N 3.16Å; V297-F300 WeakPolarHBondContact O-CB 3.49Å; V297-F300 PolarHBondContact O-N 2.93Å; V297-I301 HydrophobicContact CG1-CD1 3.92Å; V297-I301 HydrophobicContact CG1-CG1 4.16Å; V297-I301 HydrophobicContact CG1-CG2 3.7Å; V297-P317 HydrophobicContact CG2-CG 3.92Å; V297-V358 HydrophobicContact CG1-CG1 4.46Å; V297-A361 HydrophobicContact CG2-CB 3.74Å; V297-I362 HydrophobicContact CG1-CD1 4.21Å; V297-I362 HydrophobicContact CG1-CG1 3.84Å; V297-I362 HydrophobicContact CG2-CG1 4.31Å; V297-F398 HydrophobicContact CB-CE1 4.11Å; V297-F398 HydrophobicContact CG1-CD1 4.09Å; V297-F398 HydrophobicContact CG1-CE1 3.81Å
298Q89.5Confident83Confident37 Ų3753.5 Ų53.517%0.17328%0.281CS..Hα-helixtrans-50.6-40.5-174.7-69-55.2-46.300115.6N294 S295 F300 I301 K302N294-Q298 WeakPolarHBondContact O-CG 3.07Å; N294-Q298 PolarHBondContact O-N 3.47Å; N294-Q298 VanDerWaalsContact O-N 3.16Å; N294-Q298 PolarHBondContact OD1-NE2 3.42Å; S295-Q298 PolarHBondContact O-N 3.12Å; Q298-F300 PolarHBondContact O-N 2.93Å; Q298-F300 VanDerWaalsContact O-N 3.17Å; Q298-I301 PolarHBondContact O-N 3.04Å; Q298-K302 WeakPolarHBondContact O-CG 3.44Å; Q298-K302 PolarHBondContact O-N 2.87Å
299P88.8Confident82.1Confident12 Ų1256.3 Ų56.38%0.07829%0.293CS..Hα-helixtrans-63.1-16.9177.9-20.633.2000114.4D296 V297 M309 F311 R349D296-P299 VanDerWaalsContact O-CD 3.29Å; D296-P299 WeakPolarHBondContact O-CD 3.16Å; V297-P299 VanDerWaalsContact O-N 3.16Å; P299-M309 HydrophobicContact CB-CE 4.06Å; P299-M309 HydrophobicContact CG-CE 3.95Å; P299-F311 HydrophobicContact CB-CB 4.05Å; P299-F311 HydrophobicContact CG-CB 4.09Å; P299-R349 WeakPolarHBondContact O-CD 3.26Å; P299-R349 PolarHBondContact O-NE 2.93Å
300F90.2Very high81.4Confident7 Ų760.5 Ų60.53%0.03132%0.319CS..Hα-helixtrans-101.1-21.3-174.6-58.6-87.8000113.5D296 V297 Q298 F311 P317 V318 R349 I352 K353 V358D296-F300 WeakPolarHBondContact O-CD2 3.06Å; D296-F300 WeakPolarHBondContact O-CE2 3.48Å; V297-F300 WeakPolarHBondContact O-CB 3.49Å; V297-F300 PolarHBondContact O-N 2.93Å; Q298-F300 PolarHBondContact O-N 2.93Å; Q298-F300 VanDerWaalsContact O-N 3.17Å; F300-F311 HydrophobicContact CE1-CE1 4.35Å; F300-F311 HydrophobicContact CE1-CE2 4.39Å; F300-F311 HydrophobicContact CE1-CZ 4.27Å; F300-F311 HydrophobicContact CZ-CD1 4.27Å; F300-F311 AromaticContact CZ-CD2 3.78Å; F300-F311 HydrophobicContact CZ-CD2 3.78Å; F300-F311 HydrophobicContact CZ-CE1 4.39Å; F300-F311 AromaticContact CZ-CE2 3.93Å; F300-F311 HydrophobicContact CZ-CE2 3.93Å; F300-F311 AromaticContact CZ-CG 3.96Å; F300-F311 HydrophobicContact CZ-CG 3.96Å; F300-F311 HydrophobicContact CZ-CZ 4.23Å; F300-P317 HydrophobicContact CD2-CB 4.05Å; F300-P317 HydrophobicContact CD2-CG 3.93Å; F300-P317 HydrophobicContact CE2-CB 3.81Å; F300-P317 HydrophobicContact CE2-CG 3.82Å; F300-P317 HydrophobicContact CZ-CB 4.17Å; F300-V318 HydrophobicContact CZ-CG2 3.97Å; F300-R349 HydrophobicContact CD1-CG 3.71Å; F300-R349 HydrophobicContact CE1-CG 4.07Å; F300-I352 HydrophobicContact CD1-CB 4.43Å; F300-I352 HydrophobicContact CD1-CG2 4.06Å; F300-I352 HydrophobicContact CE1-CB 3.99Å; F300-I352 HydrophobicContact CE1-CD1 3.9Å; F300-I352 HydrophobicContact CE1-CG2 3.7Å; F300-I352 HydrophobicContact CZ-CD1 4.34Å; F300-I352 HydrophobicContact CZ-CG2 4.38Å; F300-K353 HydrophobicContact CB-CG 4.24Å; F300-K353 HydrophobicContact CD1-CG 4.26Å; F300-K353 WeakPolarHBondContact O-CD 3.41Å; F300-V358 HydrophobicContact CB-CG1 4.01Å; F300-V358 HydrophobicContact CB-CG2 3.84Å; F300-V358 HydrophobicContact CD1-CG2 3.99Å; F300-V358 HydrophobicContact CG-CG2 3.95Å
301I86.8Confident80.9Confident47 Ų4761.1 Ų61.124%0.24132%0.321CS..Hα-helixtrans-109.1-16.9-17361.9168.9000114.3V297 Q298 E303 V358 I362 F398V297-I301 HydrophobicContact CG1-CD1 3.92Å; V297-I301 HydrophobicContact CG1-CG1 4.16Å; V297-I301 HydrophobicContact CG1-CG2 3.7Å; Q298-I301 PolarHBondContact O-N 3.04Å; I301-E303 PolarHBondContact O-N 3.2Å; I301-V358 HydrophobicContact CG2-CG1 4.17Å; I301-I362 HydrophobicContact CG2-CD1 4.39Å; I301-F398 HydrophobicContact CD1-CD1 3.8Å
302K77.3Confident80.6Confident106 Ų10662.9 Ų62.946%0.46133%0.333SS..  trans-71.3123.6-179.4-75.9178.1-179.6175.20110.9Q298 K304 T305Q298-K302 WeakPolarHBondContact O-CG 3.44Å; Q298-K302 PolarHBondContact O-N 2.87Å; K302-K304 PolarHBondContact O-N 3.41Å; K302-T305 WeakPolarHBondContact CB-OG1 3.39Å; K302-T305 PolarHBondContact O-N 2.9Å; K302-T305 PolarHBondContact O-OG1 3.15Å
303E58.6Low80.3Confident200 Ų20062.2 Ų62.294%0.93533%0.331SS*.THydrogen-bonded Turntrans-58.2-31.9-179.6-70.4-178.4159.700113.8I301I301-E303 PolarHBondContact O-N 3.2Å
304K60.4Low79.9Confident200 Ų20063.5 Ų63.587%0.8734%0.338SS*.THydrogen-bonded Turntrans-11056.7178.2-65-173.5-178.8-176.10111.1K302 S306K302-K304 PolarHBondContact O-N 3.41Å; K304-S306 PolarHBondContact O-N 2.89Å
305T61.1Low79.8Confident24 Ų2462.5 Ų62.515%0.14733%0.332CS..  trans-83.3113.3172.1-45.20000108.2K302 M309K302-T305 WeakPolarHBondContact CB-OG1 3.39Å; K302-T305 PolarHBondContact O-N 2.9Å; K302-T305 PolarHBondContact O-OG1 3.15Å; T305-M309 HydrophobicContact CG2-CB 3.88Å; T305-M309 HydrophobicContact CG2-CG 4.07Å; T305-M309 HydrophobicContact CG2-SD 3.4Å; T305-M309 WeakPolarHBondContact CG2-SD 3.49Å
306S60.9Low80Confident67 Ų6759.4 Ų59.447%0.46931%0.311SS..  trans-54.5141.3174.2179.10000110.1K304 S308 M309K304-S306 PolarHBondContact O-N 2.89Å; S306-S308 PolarHBondContact O-N 3.45Å; S306-S308 VanDerWaalsContact O-N 3.1Å; S306-S308 PolarHBondContact OG-N 3.07Å; S306-S308 PolarHBondContact OG-OG 3.08Å; S306-M309 WeakPolarHBondContact O-CB 3.14Å; S306-M309 PolarHBondContact O-N 3.47Å
307D62.6Low80.2Confident130 Ų13058.9 Ų58.970%0.69531%0.308SS*.THydrogen-bonded Turntrans-57.9-22.6172.5-64.3-22.8000111.6M309 A346D307-M309 VanDerWaalsContact C-N 3.33Å; D307-M309 PolarHBondContact O-N 3.27Å; D307-A346 HydrophobicContact CB-CB 4.43Å
308S64.3Low80.2Confident99 Ų9958.9 Ų58.969%0.69231%0.308SS*.THydrogen-bonded Turntrans-80.1-5.8175.9740000114.9S306 T310S306-S308 PolarHBondContact O-N 3.45Å; S306-S308 VanDerWaalsContact O-N 3.1Å; S306-S308 PolarHBondContact OG-N 3.07Å; S306-S308 PolarHBondContact OG-OG 3.08Å; S308-T310 PolarHBondContact O-N 3.07Å
309M77.2Confident80.4Confident69 Ų6957.2 Ų57.234%0.3430%0.3SS..  trans-77.8116.9-176.2-176.6169178.300110.6P299 T305 S306 D307 R349P299-M309 HydrophobicContact CB-CE 4.06Å; P299-M309 HydrophobicContact CG-CE 3.95Å; T305-M309 HydrophobicContact CG2-CB 3.88Å; T305-M309 HydrophobicContact CG2-CG 4.07Å; T305-M309 HydrophobicContact CG2-SD 3.4Å; T305-M309 WeakPolarHBondContact CG2-SD 3.49Å; S306-M309 WeakPolarHBondContact O-CB 3.14Å; S306-M309 PolarHBondContact O-N 3.47Å; D307-M309 VanDerWaalsContact C-N 3.33Å; D307-M309 PolarHBondContact O-N 3.27Å; M309-R349 PolarHBondContact O-NH2 3.29Å
310T83.2Confident80.7Confident91 Ų9157.5 Ų57.556%0.55830%0.301SS*.  trans-81.6160.6173.359.70000110.8S308 Y345S308-T310 PolarHBondContact O-N 3.07Å; T310-Y345 HydrophobicContact CG2-CD2 3.84Å; T310-Y345 HydrophobicContact CG2-CE2 3.74Å; T310-Y345 HydrophobicContact CG2-CG 4.31Å
311F85.9Confident80.9Confident15 Ų1557.6 Ų57.67%0.06630%0.302CS..  trans-138.3161.8171.458.2-95.9000109.9P299 F300 L313 V318 Y345 L348 R349 I352P299-F311 HydrophobicContact CB-CB 4.05Å; P299-F311 HydrophobicContact CG-CB 4.09Å; F300-F311 HydrophobicContact CE1-CE1 4.35Å; F300-F311 HydrophobicContact CE1-CE2 4.39Å; F300-F311 HydrophobicContact CE1-CZ 4.27Å; F300-F311 HydrophobicContact CZ-CD1 4.27Å; F300-F311 AromaticContact CZ-CD2 3.78Å; F300-F311 HydrophobicContact CZ-CD2 3.78Å; F300-F311 HydrophobicContact CZ-CE1 4.39Å; F300-F311 AromaticContact CZ-CE2 3.93Å; F300-F311 HydrophobicContact CZ-CE2 3.93Å; F300-F311 AromaticContact CZ-CG 3.96Å; F300-F311 HydrophobicContact CZ-CG 3.96Å; F300-F311 HydrophobicContact CZ-CZ 4.23Å; F311-L313 HydrophobicContact CE2-CD2 3.95Å; F311-V318 HydrophobicContact CD2-CG2 3.79Å; F311-V318 HydrophobicContact CE2-CG2 3.54Å; F311-Y345 AromaticContact CD1-CD1 3.72Å; F311-Y345 HydrophobicContact CD1-CD1 3.72Å; F311-Y345 HydrophobicContact CD2-CD1 4.49Å; F311-Y345 AromaticContact CE1-CD1 3.65Å; F311-Y345 HydrophobicContact CE1-CD1 3.65Å; F311-Y345 HydrophobicContact CE1-CG 4.39Å; F311-Y345 HydrophobicContact CE2-CD1 4.42Å; F311-Y345 HydrophobicContact CG-CD1 4.16Å; F311-Y345 HydrophobicContact CZ-CD1 4.03Å; F311-Y345 VanDerWaalsContact O-CE1 3.28Å; F311-Y345 WeakPolarHBondContact O-CE1 3.48Å; F311-L348 HydrophobicContact CE2-CD2 4.27Å; F311-L348 HydrophobicContact CZ-CB 4.25Å; F311-L348 HydrophobicContact CZ-CD2 3.87Å; F311-L348 HydrophobicContact CZ-CG 4.04Å; F311-R349 HydrophobicContact CE1-CB 4.02Å; F311-I352 HydrophobicContact CE2-CD1 3.95Å; F311-I352 HydrophobicContact CZ-CD1 3.83Å
312N86Confident81.2Confident86 Ų8656 Ų5646%0.4629%0.293SS..  trans-77127.7178.4-170.8-21000110N314 S315N312-N314 PolarHBondContact O-N 3.07Å; N312-N314 PolarHBondContact OD1-N 2.83Å; N312-S315 WeakPolarHBondContact O-CB 3.38Å; N312-S315 PolarHBondContact O-N 3.26Å; N312-S315 VanDerWaalsContact O-N 3.11Å; N312-S315 PolarHBondContact O-OG 3.48Å
313L87.6Confident81.9Confident18 Ų1856 Ų569%0.09429%0.294CS..THydrogen-bonded Turntrans-67.9-20.8176.5-65.7178000112.9F311 S315 V318 I334 L343 L348F311-L313 HydrophobicContact CE2-CD2 3.95Å; L313-S315 VanDerWaalsContact C-N 3.29Å; L313-S315 PolarHBondContact O-N 3.48Å; L313-V318 VanDerWaalsContact O-CB 3.26Å; L313-V318 WeakPolarHBondContact O-CB 3.46Å; L313-V318 WeakPolarHBondContact O-CG1 3.48Å; L313-I334 HydrophobicContact CD2-CD1 4.49Å; L313-L343 HydrophobicContact CD1-CD2 3.99Å; L313-L343 HydrophobicContact CD2-CD2 4.1Å; L313-L343 HydrophobicContact CG-CD2 4.49Å; L313-L348 HydrophobicContact CD2-CD2 3.68Å
314N87.7Confident83.5Confident27 Ų2752 Ų5214%0.14427%0.274CS..THydrogen-bonded Turntrans-95.127.4171.9-60-12.5000111.5T232 W247 N312T232-N314 PolarHBondContact OG1-ND2 2.81Å; W247-N314 PolarHBondContact NE1-O 3.37Å; N312-N314 PolarHBondContact O-N 3.07Å; N312-N314 PolarHBondContact OD1-N 2.83Å
315S91.8Very high85Confident2 Ų244.7 Ų44.71%0.01425%0.245CC..SBendtrans-85.1153.4173.7620000111.3D296 N312 L313 P317 V318 V319D296-S315 WeakPolarHBondContact OD2-CA 3.31Å; N312-S315 WeakPolarHBondContact O-CB 3.38Å; N312-S315 PolarHBondContact O-N 3.26Å; N312-S315 VanDerWaalsContact O-N 3.11Å; N312-S315 PolarHBondContact O-OG 3.48Å; L313-S315 VanDerWaalsContact C-N 3.29Å; L313-S315 PolarHBondContact O-N 3.48Å; S315-P317 VanDerWaalsContact C-CD 3.5Å; S315-V318 PolarHBondContact O-N 2.96Å; S315-V318 VanDerWaalsContact OG-CG2 3.22Å; S315-V318 WeakPolarHBondContact OG-CG2 3.4Å; S315-V319 PolarHBondContact O-N 3.32Å
316A94.8Very high86.4Confident0 Ų045 Ų450%025%0.253CS..Hα-helixtrans-50.4-46.4-177.500000114.6W247 I293 D296 V318 L320 A361W247-A316 HydrophobicContact CD2-CB 4.48Å; W247-A316 HydrophobicContact CH2-CB 3.7Å; W247-A316 HydrophobicContact CZ2-CB 3.58Å; W247-A316 HydrophobicContact CZ3-CB 4.14Å; I293-A316 HydrophobicContact CG2-CB 4.23Å; D296-A316 PolarHBondContact OD2-N 3.17Å; A316-V318 VanDerWaalsContact C-N 3.26Å; A316-V318 PolarHBondContact O-N 3.47Å; A316-L320 WeakPolarHBondContact O-CB 3.28Å; A316-L320 WeakPolarHBondContact O-CD1 3.39Å; A316-L320 VanDerWaalsContact O-CG 3.32Å; A316-L320 WeakPolarHBondContact O-CG 3.4Å; A316-L320 PolarHBondContact O-N 2.7Å; A316-A361 HydrophobicContact CB-CB 4.26Å
317P95.4Very high87.6Confident0 Ų047 Ų470%025%0.25CC..Hα-helixtrans-61-34.3178.5-23.434.2000113.6V297 F300 S315 H321 I352 G357 V358 A361V297-P317 HydrophobicContact CG2-CG 3.92Å; F300-P317 HydrophobicContact CD2-CB 4.05Å; F300-P317 HydrophobicContact CD2-CG 3.93Å; F300-P317 HydrophobicContact CE2-CB 3.81Å; F300-P317 HydrophobicContact CE2-CG 3.82Å; F300-P317 HydrophobicContact CZ-CB 4.17Å; S315-P317 VanDerWaalsContact C-CD 3.5Å; P317-H321 VanDerWaalsContact O-CB 3.27Å; P317-H321 WeakPolarHBondContact O-CB 3.38Å; P317-H321 PolarHBondContact O-N 3.17Å; P317-H321 VanDerWaalsContact O-N 3.09Å; P317-I352 HydrophobicContact CB-CG2 4.46Å; P317-G357 WeakPolarHBondContact O-CA 3.38Å; P317-V358 HydrophobicContact CB-CG2 4.36Å; P317-A361 HydrophobicContact CB-CB 4.23Å; P317-A361 HydrophobicContact CG-CB 3.77Å
318V93.8Very high88.9Confident0 Ų047.3 Ų47.30%025%0.252CS..Hα-helixtrans-77-48.2-178-175.70000110.4F300 F311 L313 S315 A316 L320 H321 Q322 W330 I352F300-V318 HydrophobicContact CZ-CG2 3.97Å; F311-V318 HydrophobicContact CD2-CG2 3.79Å; F311-V318 HydrophobicContact CE2-CG2 3.54Å; L313-V318 VanDerWaalsContact O-CB 3.26Å; L313-V318 WeakPolarHBondContact O-CB 3.46Å; L313-V318 WeakPolarHBondContact O-CG1 3.48Å; S315-V318 PolarHBondContact O-N 2.96Å; S315-V318 VanDerWaalsContact OG-CG2 3.22Å; S315-V318 WeakPolarHBondContact OG-CG2 3.4Å; A316-V318 VanDerWaalsContact C-N 3.26Å; A316-V318 PolarHBondContact O-N 3.47Å; V318-L320 VanDerWaalsContact C-N 3.33Å; V318-L320 PolarHBondContact O-N 3.47Å; V318-H321 WeakPolarHBondContact O-CB 3.44Å; V318-H321 PolarHBondContact O-N 2.82Å; V318-H321 VanDerWaalsContact O-N 3.13Å; V318-Q322 WeakPolarHBondContact O-CB 3.46Å; V318-Q322 PolarHBondContact O-N 3.36Å; V318-W330 HydrophobicContact CG1-CH2 3.38Å; V318-W330 HydrophobicContact CG1-CZ2 3.61Å; V318-W330 HydrophobicContact CG1-CZ3 4.29Å; V318-I352 HydrophobicContact CG1-CD1 4.44Å; V318-I352 HydrophobicContact CG2-CD1 3.91Å
319V93.6Very high90.2Very high2 Ų247.1 Ų47.11%0.01224%0.242CC..Hα-helixtrans-58.5-45.7177.3168.70000110.9I242 I244 W247 S315 H321 Q322 E323I242-V319 VanDerWaalsContact O-CG1 3.24Å; I242-V319 WeakPolarHBondContact O-CG1 3.39Å; I244-V319 HydrophobicContact CB-CG1 4.42Å; I244-V319 HydrophobicContact CD1-CG1 4.24Å; W247-V319 HydrophobicContact CB-CG1 4.13Å; W247-V319 HydrophobicContact CB-CG2 4.48Å; W247-V319 HydrophobicContact CG-CG1 4.5Å; W247-V319 HydrophobicContact CG-CG2 4.29Å; S315-V319 PolarHBondContact O-N 3.32Å; V319-H321 PolarHBondContact O-N 2.73Å; V319-Q322 PolarHBondContact O-N 3.33Å; V319-E323 WeakPolarHBondContact O-CB 3.37Å; V319-E323 PolarHBondContact O-N 2.97Å
320L95.4Very high90.9Very high17 Ų1744 Ų449%0.08923%0.227CC..Hα-helixtrans-63.7-41176.1-74.8165.4000111.9I244 A316 V318 E323 F324 A361I244-L320 HydrophobicContact CB-CD2 4.16Å; I244-L320 HydrophobicContact CD1-CD1 4.34Å; I244-L320 HydrophobicContact CD1-CD2 3.88Å; I244-L320 HydrophobicContact CD1-CG 3.83Å; I244-L320 HydrophobicContact CG1-CD2 3.78Å; I244-L320 HydrophobicContact CG1-CG 4.32Å; A316-L320 WeakPolarHBondContact O-CB 3.28Å; A316-L320 WeakPolarHBondContact O-CD1 3.39Å; A316-L320 VanDerWaalsContact O-CG 3.32Å; A316-L320 WeakPolarHBondContact O-CG 3.4Å; A316-L320 PolarHBondContact O-N 2.7Å; V318-L320 VanDerWaalsContact C-N 3.33Å; V318-L320 PolarHBondContact O-N 3.47Å; L320-E323 PolarHBondContact O-N 3.43Å; L320-F324 HydrophobicContact CB-CE2 4.35Å; L320-F324 HydrophobicContact CD2-CE2 4.49Å; L320-F324 WeakPolarHBondContact O-CD2 3.36Å; L320-F324 PolarHBondContact O-N 3.39Å; L320-A361 HydrophobicContact CD1-CB 3.91Å
321H94.7Very high91.1Very high10 Ų1043 Ų435%0.04622%0.217CC..Hα-helixtrans-62.5-45.8176.2-178.376.7000111.9P317 V318 V319 E323 F324 L325 W330 Q333 I352P317-H321 VanDerWaalsContact O-CB 3.27Å; P317-H321 WeakPolarHBondContact O-CB 3.38Å; P317-H321 PolarHBondContact O-N 3.17Å; P317-H321 VanDerWaalsContact O-N 3.09Å; V318-H321 WeakPolarHBondContact O-CB 3.44Å; V318-H321 PolarHBondContact O-N 2.82Å; V318-H321 VanDerWaalsContact O-N 3.13Å; V319-H321 PolarHBondContact O-N 2.73Å; H321-E323 VanDerWaalsContact C-N 3.33Å; H321-E323 PolarHBondContact O-N 3.18Å; H321-F324 PolarHBondContact O-N 2.91Å; H321-L325 WeakPolarHBondContact O-CB 3.47Å; H321-L325 PolarHBondContact O-N 3.21Å; H321-W330 AromaticContact CD2-CZ3 3.93Å; H321-Q333 PolarHBondContact NE2-OE1 2.96Å; H321-I352 HydrophobicContact CB-CG1 4.34Å; H321-I352 HydrophobicContact CB-CG2 4.15Å
322Q92.1Very high91.3Very high14 Ų1448.3 Ų48.37%0.06524%0.24CC..Hα-helixtrans-57.3-46.1174.8170.9178.1-22.100111.2V318 V319 L325 G326 W330V318-Q322 WeakPolarHBondContact O-CB 3.46Å; V318-Q322 PolarHBondContact O-N 3.36Å; V319-Q322 PolarHBondContact O-N 3.33Å; Q322-L325 PolarHBondContact O-N 3.01Å; Q322-G326 PolarHBondContact O-N 3.45Å; Q322-W330 HydrophobicContact CB-CB 4.49Å; Q322-W330 HydrophobicContact CB-CD2 4.11Å; Q322-W330 HydrophobicContact CB-CG 4.05Å; Q322-W330 HydrophobicContact CG-CB 4.11Å; Q322-W330 HydrophobicContact CG-CD2 4.35Å; Q322-W330 HydrophobicContact CG-CG 3.8Å; Q322-W330 VanDerWaalsContact OE1-NE1 3.16Å
323E92Very high91.5Very high104 Ų10446 Ų4649%0.48623%0.227SC..Hα-helixtrans-64-41.5-179.3-168.4170.3154.400112.3I244 V319 L320 H321I244-E323 WeakPolarHBondContact CB-OE2 3.41Å; I244-E323 WeakPolarHBondContact CG2-OE2 3.42Å; I244-E323 PolarHBondContact N-OE2 2.88Å; V319-E323 WeakPolarHBondContact O-CB 3.37Å; V319-E323 PolarHBondContact O-N 2.97Å; L320-E323 PolarHBondContact O-N 3.43Å; H321-E323 VanDerWaalsContact C-N 3.33Å; H321-E323 PolarHBondContact O-N 3.18Å
324F93.2Very high91.6Very high117 Ų11745.3 Ų45.351%0.51322%0.223SC..Hα-helixtrans-70.6-36.8175.5-72.8-57000113.7L320 H321 K356 S360L320-F324 HydrophobicContact CB-CE2 4.35Å; L320-F324 HydrophobicContact CD2-CE2 4.49Å; L320-F324 WeakPolarHBondContact O-CD2 3.36Å; L320-F324 PolarHBondContact O-N 3.39Å; H321-F324 PolarHBondContact O-N 2.91Å; F324-K356 HydrophobicContact CD2-CB 3.87Å; F324-K356 HydrophobicContact CE2-CB 4.05Å; F324-K356 HydrophobicContact CG-CB 4.41Å; F324-S360 WeakPolarHBondContact CE2-OG 3.31Å
325L92.3Very high91.6Very high47 Ų4746 Ų4625%0.24624%0.237CC..Hα-helixtrans-77.6-32.9-175.9-176.766.6000111.8H321 Q322 L329 W330 Q333H321-L325 WeakPolarHBondContact O-CB 3.47Å; H321-L325 PolarHBondContact O-N 3.21Å; Q322-L325 PolarHBondContact O-N 3.01Å; L325-L329 HydrophobicContact CD1-CB 3.92Å; L325-L329 HydrophobicContact CD1-CD1 3.9Å; L325-L329 HydrophobicContact CD2-CB 3.96Å; L325-L329 HydrophobicContact CG-CB 3.6Å; L325-L329 HydrophobicContact CG-CD1 4.34Å; L325-W330 HydrophobicContact CD2-CB 4.34Å; L325-Q333 HydrophobicContact CD2-CG 4.07Å; L325-Q333 VanDerWaalsContact CD2-OE1 3.24Å
326G90.9Very high91.5Very high31 Ų3149.8 Ų49.832%0.3225%0.254SS..  trans87.4149.7-169.900000112.6Q322 D328 L329 W330Q322-G326 PolarHBondContact O-N 3.45Å; G326-D328 PolarHBondContact O-N 3.23Å; G326-L329 PolarHBondContact O-N 3.47Å; G326-W330 PolarHBondContact O-N 3.41Å
327R86.1Confident91.1Very high107 Ų10749.8 Ų49.840%0.40425%0.254SS..Hα-helixtrans-60.9-44.7-169.3-171.6171.2-175.8178.2-5.3114.3T239 D241 L329 W330 I331T239-R327 PolarHBondContact O-NH2 3.28Å; D241-R327 VanDerWaalsContact CB-NH1 3.33Å; D241-R327 WeakPolarHBondContact OD2-CD 3.44Å; D241-R327 IonicContact OD2-CZ 2.67Å; D241-R327 IonicContact OD2-NE 2.79Å; D241-R327 IonicContact OD2-NH1 3.33Å; D241-R327 PolarHBondContact OD2-NH1 2.97Å; R327-L329 VanDerWaalsContact C-N 3.34Å; R327-L329 PolarHBondContact O-N 3.37Å; R327-W330 WeakPolarHBondContact O-CB 3.08Å; R327-W330 PolarHBondContact O-N 2.86Å; R327-I331 HydrophobicContact CG-CD1 3.97Å; R327-I331 HydrophobicContact CG-CG1 4.49Å; R327-I331 WeakPolarHBondContact O-CG1 3.45Å; R327-I331 PolarHBondContact O-N 3.09Å
328D89.4Confident90.7Very high138 Ų13854 Ų5474%0.73827%0.274SS*.Hα-helixtrans-62.6-42.9-176.9-64.4-26.3000112G326 K332G326-D328 PolarHBondContact O-N 3.23Å; D328-K332 PolarHBondContact O-N 2.94Å; D328-K332 VanDerWaalsContact O-N 3.12Å
329L91.3Very high90.1Very high94 Ų9459.6 Ų59.649%0.49230%0.3SS..Hα-helixtrans-70.8-35.5177.1-73.2-179.5000111.6L325 G326 R327 K332 Q333L325-L329 HydrophobicContact CD1-CB 3.92Å; L325-L329 HydrophobicContact CD1-CD1 3.9Å; L325-L329 HydrophobicContact CD2-CB 3.96Å; L325-L329 HydrophobicContact CG-CB 3.6Å; L325-L329 HydrophobicContact CG-CD1 4.34Å; G326-L329 PolarHBondContact O-N 3.47Å; R327-L329 VanDerWaalsContact C-N 3.34Å; R327-L329 PolarHBondContact O-N 3.37Å; L329-K332 PolarHBondContact O-N 3.29Å; L329-Q333 WeakPolarHBondContact O-CB 3.15Å; L329-Q333 WeakPolarHBondContact O-CG 3.34Å; L329-Q333 PolarHBondContact O-N 2.96Å
330W90.8Very high89.3Confident5 Ų569.9 Ų69.92%0.01935%0.345CS..Hα-helixtrans-61.1-49.1173.3173-117.3000112.3V318 H321 Q322 L325 G326 R327 K332 Q333 I334 L348V318-W330 HydrophobicContact CG1-CH2 3.38Å; V318-W330 HydrophobicContact CG1-CZ2 3.61Å; V318-W330 HydrophobicContact CG1-CZ3 4.29Å; H321-W330 AromaticContact CD2-CZ3 3.93Å; Q322-W330 HydrophobicContact CB-CB 4.49Å; Q322-W330 HydrophobicContact CB-CD2 4.11Å; Q322-W330 HydrophobicContact CB-CG 4.05Å; Q322-W330 HydrophobicContact CG-CB 4.11Å; Q322-W330 HydrophobicContact CG-CD2 4.35Å; Q322-W330 HydrophobicContact CG-CG 3.8Å; Q322-W330 VanDerWaalsContact OE1-NE1 3.16Å; L325-W330 HydrophobicContact CD2-CB 4.34Å; G326-W330 PolarHBondContact O-N 3.41Å; R327-W330 WeakPolarHBondContact O-CB 3.08Å; R327-W330 PolarHBondContact O-N 2.86Å; W330-K332 VanDerWaalsContact C-N 3.29Å; W330-K332 PolarHBondContact O-N 3.37Å; W330-Q333 WeakPolarHBondContact O-CB 3.31Å; W330-Q333 PolarHBondContact O-N 3.44Å; W330-I334 HydrophobicContact CD2-CG1 4.1Å; W330-I334 HydrophobicContact CE3-CG1 4.44Å; W330-I334 HydrophobicContact CH2-CD1 3.67Å; W330-I334 HydrophobicContact CH2-CG1 4.12Å; W330-I334 HydrophobicContact CZ2-CD1 3.57Å; W330-I334 HydrophobicContact CZ2-CG1 3.76Å; W330-I334 HydrophobicContact CZ3-CD1 4.3Å; W330-I334 HydrophobicContact CZ3-CG1 4.45Å; W330-I334 PolarHBondContact O-N 3.28Å; W330-L348 HydrophobicContact CH2-CD1 4Å; W330-L348 HydrophobicContact CH2-CD2 4.1Å; W330-L348 HydrophobicContact CH2-CG 4.42Å; W330-L348 HydrophobicContact CZ3-CD1 3.79Å
331I88.6Confident88.3Confident68 Ų6871.9 Ų71.935%0.34937%0.37SS..Hα-helixtrans-58.7-43.9177.3-68.3168.4000110.4R327 Q333 I334 G335R327-I331 HydrophobicContact CG-CD1 3.97Å; R327-I331 HydrophobicContact CG-CG1 4.49Å; R327-I331 WeakPolarHBondContact O-CG1 3.45Å; R327-I331 PolarHBondContact O-N 3.09Å; I331-Q333 VanDerWaalsContact C-N 3.35Å; I331-Q333 PolarHBondContact O-N 3.4Å; I331-I334 PolarHBondContact O-N 3.07Å; I331-G335 PolarHBondContact O-N 3.4Å
332K90.2Very high87.6Confident127 Ų12780.8 Ų80.855%0.55240%0.403SS*.Hα-helixtrans-60.9-43.1174.6-176.1176.8176.2-179.80111.9D328 L329 W330 I334 G335 E336D328-K332 PolarHBondContact O-N 2.94Å; D328-K332 VanDerWaalsContact O-N 3.12Å; L329-K332 PolarHBondContact O-N 3.29Å; W330-K332 VanDerWaalsContact C-N 3.29Å; W330-K332 PolarHBondContact O-N 3.37Å; K332-I334 PolarHBondContact O-N 3.42Å; K332-G335 PolarHBondContact O-N 3.1Å; K332-E336 WeakPolarHBondContact CE-OE1 3.4Å; K332-E336 WeakPolarHBondContact O-CG 3.34Å; K332-E336 PolarHBondContact O-N 2.94Å
333Q90.8Very high87.2Confident37 Ų3782 Ų8217%0.17341%0.41CS..Hα-helixtrans-63.3-39.6178.5-77.6-169.8-500112.8H321 L325 L329 W330 I331 A337 R351H321-Q333 PolarHBondContact NE2-OE1 2.96Å; L325-Q333 HydrophobicContact CD2-CG 4.07Å; L325-Q333 VanDerWaalsContact CD2-OE1 3.24Å; L329-Q333 WeakPolarHBondContact O-CB 3.15Å; L329-Q333 WeakPolarHBondContact O-CG 3.34Å; L329-Q333 PolarHBondContact O-N 2.96Å; W330-Q333 WeakPolarHBondContact O-CB 3.31Å; W330-Q333 PolarHBondContact O-N 3.44Å; I331-Q333 VanDerWaalsContact C-N 3.35Å; I331-Q333 PolarHBondContact O-N 3.4Å; Q333-A337 WeakPolarHBondContact O-CB 3.36Å; Q333-A337 PolarHBondContact O-N 2.72Å; Q333-R351 PolarHBondContact O-NH1 2.82Å
334I88.6Confident87.1Confident4 Ų479.4 Ų79.42%0.02140%0.399CS..Hα-helixtrans-65.2-47.1174.5-70.4-67.5000111I238 L313 W330 I331 K332 E336 A337 Q338 L343 L348I238-I334 HydrophobicContact CD1-CG2 4.06Å; I238-I334 HydrophobicContact CG1-CG2 4Å; I238-I334 HydrophobicContact CG2-CG2 4.04Å; L313-I334 HydrophobicContact CD2-CD1 4.49Å; W330-I334 HydrophobicContact CD2-CG1 4.1Å; W330-I334 HydrophobicContact CE3-CG1 4.44Å; W330-I334 HydrophobicContact CH2-CD1 3.67Å; W330-I334 HydrophobicContact CH2-CG1 4.12Å; W330-I334 HydrophobicContact CZ2-CD1 3.57Å; W330-I334 HydrophobicContact CZ2-CG1 3.76Å; W330-I334 HydrophobicContact CZ3-CD1 4.3Å; W330-I334 HydrophobicContact CZ3-CG1 4.45Å; W330-I334 PolarHBondContact O-N 3.28Å; I331-I334 PolarHBondContact O-N 3.07Å; K332-I334 PolarHBondContact O-N 3.42Å; I334-E336 VanDerWaalsContact C-N 3.31Å; I334-E336 PolarHBondContact O-N 2.82Å; I334-A337 CarbonylContact O-C 3.46Å; I334-A337 WeakPolarHBondContact O-CA 3.24Å; I334-A337 PolarHBondContact O-N 3.11Å; I334-Q338 PolarHBondContact O-N 2.94Å; I334-Q338 VanDerWaalsContact O-N 3.13Å; I334-L343 HydrophobicContact CD1-CD1 4.31Å; I334-L343 HydrophobicContact CG2-CD1 4.43Å; I334-L348 HydrophobicContact CD1-CD1 3.99Å; I334-L348 HydrophobicContact CD1-CD2 3.56Å; I334-L348 HydrophobicContact CD1-CG 4.44Å
335G87.9Confident86.9Confident43 Ų4376.9 Ų76.944%0.44339%0.387SS..Hα-helixtrans-59.1-41.1178.200000112.7I331 K332 A337 Q338I331-G335 PolarHBondContact O-N 3.4Å; K332-G335 PolarHBondContact O-N 3.1Å; G335-A337 VanDerWaalsContact C-N 3.28Å; G335-A337 PolarHBondContact O-N 3.23Å; G335-Q338 PolarHBondContact O-N 3.49Å
336E89.3Confident86.7Confident80 Ų8075.7 Ų75.737%0.37438%0.384SS..Hα-helixtrans-69.7-23175.5-71.8173.1-176.600113.8K332 I334 Q338 K347 R351K332-E336 WeakPolarHBondContact CE-OE1 3.4Å; K332-E336 WeakPolarHBondContact O-CG 3.34Å; K332-E336 PolarHBondContact O-N 2.94Å; I334-E336 VanDerWaalsContact C-N 3.31Å; I334-E336 PolarHBondContact O-N 2.82Å; E336-Q338 VanDerWaalsContact C-N 3.35Å; E336-K347 PolarHBondContact O-NZ 3.11Å; E336-R351 IonicContact OE2-CZ 3.31Å; E336-R351 IonicContact OE2-NH1 2.6Å; E336-R351 PolarHBondContact OE2-NH1 2.94Å; E336-R351 IonicContact OE2-NH2 3.1Å; E336-R351 PolarHBondContact OE2-NH2 3.34Å
337A87.8Confident86.7Confident0 Ų077.7 Ų77.70%038%0.384CS..Hα-helixtrans-87.8-4.4175.100000112.6Q333 I334 G335 L343 D344 L348Q333-A337 WeakPolarHBondContact O-CB 3.36Å; Q333-A337 PolarHBondContact O-N 2.72Å; I334-A337 CarbonylContact O-C 3.46Å; I334-A337 WeakPolarHBondContact O-CA 3.24Å; I334-A337 PolarHBondContact O-N 3.11Å; G335-A337 VanDerWaalsContact C-N 3.28Å; G335-A337 PolarHBondContact O-N 3.23Å; A337-L343 HydrophobicContact CB-CD1 3.93Å; A337-D344 VanDerWaalsContact O-CB 3.25Å; A337-D344 WeakPolarHBondContact O-CB 3.46Å; A337-D344 PolarHBondContact O-N 2.84Å; A337-L348 HydrophobicContact CB-CB 4.42Å
338Q86.7Confident86.9Confident90 Ų9072.6 Ų72.642%0.42137%0.365SS..EExtended strand (participates in β ladder)trans-91115.5179.8-162.5169.43.200110.8I334 G335 E336 R342I334-Q338 PolarHBondContact O-N 2.94Å; I334-Q338 VanDerWaalsContact O-N 3.13Å; G335-Q338 PolarHBondContact O-N 3.49Å; E336-Q338 VanDerWaalsContact C-N 3.35Å; Q338-R342 CarbonylContact C-O 3.58Å; Q338-R342 WeakPolarHBondContact CA-O 3.47Å
339E79.7Confident87Confident116 Ų11666.5 Ų66.554%0.54233%0.331SS..EExtended strand (participates in β ladder)trans-116.5122.4177.4-66-169.2177.800110.3G341 R342E339-G341 PolarHBondContact O-N 3.36Å; E339-G341 VanDerWaalsContact O-N 3.14Å; E339-R342 PolarHBondContact N-O 3.5Å; E339-R342 PolarHBondContact O-N 3.17Å
340K77.8Confident87Confident218 Ų21867 Ų6795%0.94833%0.331SS*.THydrogen-bonded Turntrans51.437.3179.9-58.8177-179.5173.60113.5R342K340-R342 VanDerWaalsContact C-N 3.29Å; K340-R342 PolarHBondContact O-N 3.45Å
341G73.8Confident87.1Confident60 Ų6069.9 Ų69.962%0.61934%0.342SS*.THydrogen-bonded Turntrans79.33.3-179.400000115E339E339-G341 PolarHBondContact O-N 3.36Å; E339-G341 VanDerWaalsContact O-N 3.14Å
342R80.1Confident87.3Confident196 Ų19666.7 Ų66.774%0.7433%0.326SS*.EExtended strand (participates in β ladder)trans-111.8141.3175-66-176.7179.7177-1.1110.7Q338 E339 K340Q338-R342 CarbonylContact C-O 3.58Å; Q338-R342 WeakPolarHBondContact CA-O 3.47Å; E339-R342 PolarHBondContact N-O 3.5Å; E339-R342 PolarHBondContact O-N 3.17Å; K340-R342 VanDerWaalsContact C-N 3.29Å; K340-R342 PolarHBondContact O-N 3.45Å
343L85.1Confident87.4Confident40 Ų4064.9 Ų64.921%0.20932%0.318CS..EExtended strand (participates in β ladder)trans-78.5126.6177.1-173.265.7000110.7L313 I334 A337 Y345 L348L313-L343 HydrophobicContact CD1-CD2 3.99Å; L313-L343 HydrophobicContact CD2-CD2 4.1Å; L313-L343 HydrophobicContact CG-CD2 4.49Å; I334-L343 HydrophobicContact CD1-CD1 4.31Å; I334-L343 HydrophobicContact CG2-CD1 4.43Å; A337-L343 HydrophobicContact CB-CD1 3.93Å; L343-Y345 HydrophobicContact CB-CD2 4.48Å; L343-Y345 HydrophobicContact CB-CE2 4.13Å; L343-Y345 HydrophobicContact CD2-CD1 4.44Å; L343-Y345 HydrophobicContact CD2-CE1 4.01Å; L343-Y345 HydrophobicContact CD2-CE2 4.19Å; L343-Y345 HydrophobicContact CG-CE2 4.4Å; L343-Y345 WeakPolarHBondContact O-CD2 3.36Å; L343-Y345 PolarHBondContact O-N 2.88Å; L343-L348 HydrophobicContact CD2-CD2 4.15Å
344D88.7Confident87.5Confident50 Ų5067.5 Ų67.527%0.26735%0.345SS..  trans-81.495.1169.1-176.6-10.2000109.9A337 A346 K347 L348A337-D344 VanDerWaalsContact O-CB 3.25Å; A337-D344 WeakPolarHBondContact O-CB 3.46Å; A337-D344 PolarHBondContact O-N 2.84Å; D344-A346 VanDerWaalsContact C-N 3.27Å; D344-A346 PolarHBondContact O-N 3.44Å; D344-A346 WeakPolarHBondContact OD1-CB 3.5Å; D344-A346 PolarHBondContact OD1-N 2.96Å; D344-K347 HydrophobicContact CB-CB 4.15Å; D344-K347 PolarHBondContact OD1-N 3.2Å; D344-K347 VanDerWaalsContact OD1-N 3.07Å; D344-K347 WeakPolarHBondContact OD2-CB 3.34Å; D344-L348 PolarHBondContact O-N 3.45Å
345Y88.6Confident87.7Confident63 Ų6368.5 Ų68.525%0.24736%0.357CS..Hα-helixtrans-65.6-27.5178-74.5-89.7000113T310 F311 L343 R349T310-Y345 HydrophobicContact CG2-CD2 3.84Å; T310-Y345 HydrophobicContact CG2-CE2 3.74Å; T310-Y345 HydrophobicContact CG2-CG 4.31Å; F311-Y345 AromaticContact CD1-CD1 3.72Å; F311-Y345 HydrophobicContact CD1-CD1 3.72Å; F311-Y345 HydrophobicContact CD2-CD1 4.49Å; F311-Y345 AromaticContact CE1-CD1 3.65Å; F311-Y345 HydrophobicContact CE1-CD1 3.65Å; F311-Y345 HydrophobicContact CE1-CG 4.39Å; F311-Y345 HydrophobicContact CE2-CD1 4.42Å; F311-Y345 HydrophobicContact CG-CD1 4.16Å; F311-Y345 HydrophobicContact CZ-CD1 4.03Å; F311-Y345 VanDerWaalsContact O-CE1 3.28Å; F311-Y345 WeakPolarHBondContact O-CE1 3.48Å; L343-Y345 HydrophobicContact CB-CD2 4.48Å; L343-Y345 HydrophobicContact CB-CE2 4.13Å; L343-Y345 HydrophobicContact CD2-CD1 4.44Å; L343-Y345 HydrophobicContact CD2-CE1 4.01Å; L343-Y345 HydrophobicContact CD2-CE2 4.19Å; L343-Y345 HydrophobicContact CG-CE2 4.4Å; L343-Y345 WeakPolarHBondContact O-CD2 3.36Å; L343-Y345 PolarHBondContact O-N 2.88Å; Y345-R349 WeakPolarHBondContact O-CB 3.5Å; Y345-R349 PolarHBondContact O-N 2.78Å
346A88.9Confident88Confident23 Ų2373.2 Ų73.219%0.1937%0.365CS..Hα-helixtrans-70.3-48.2-179.900000110.2D307 D344 L348 R349 E350D307-A346 HydrophobicContact CB-CB 4.43Å; D344-A346 VanDerWaalsContact C-N 3.27Å; D344-A346 PolarHBondContact O-N 3.44Å; D344-A346 WeakPolarHBondContact OD1-CB 3.5Å; D344-A346 PolarHBondContact OD1-N 2.96Å; A346-L348 VanDerWaalsContact C-N 3.35Å; A346-L348 PolarHBondContact O-N 3.21Å; A346-R349 PolarHBondContact O-N 2.82Å; A346-E350 PolarHBondContact O-N 3.44Å; A346-E350 VanDerWaalsContact O-N 3.12Å
347K89.9Confident88.3Confident73 Ų7369.4 Ų69.432%0.31735%0.348SS..Hα-helixtrans-60.2-43.2175.6-175174.3-179-178.60112.4E336 D344 R351E336-K347 PolarHBondContact O-NZ 3.11Å; D344-K347 HydrophobicContact CB-CB 4.15Å; D344-K347 PolarHBondContact OD1-N 3.2Å; D344-K347 VanDerWaalsContact OD1-N 3.07Å; D344-K347 WeakPolarHBondContact OD2-CB 3.34Å; K347-R351 WeakPolarHBondContact O-CG 2.95Å; K347-R351 PolarHBondContact O-N 3.45Å
348L90.7Very high88.7Confident0 Ų070 Ų700%035%0.351CS..Hα-helixtrans-66.5-41178.4-170.361.5000111.9F311 L313 W330 I334 A337 L343 D344 A346 E350 R351 I352F311-L348 HydrophobicContact CE2-CD2 4.27Å; F311-L348 HydrophobicContact CZ-CB 4.25Å; F311-L348 HydrophobicContact CZ-CD2 3.87Å; F311-L348 HydrophobicContact CZ-CG 4.04Å; L313-L348 HydrophobicContact CD2-CD2 3.68Å; W330-L348 HydrophobicContact CH2-CD1 4Å; W330-L348 HydrophobicContact CH2-CD2 4.1Å; W330-L348 HydrophobicContact CH2-CG 4.42Å; W330-L348 HydrophobicContact CZ3-CD1 3.79Å; I334-L348 HydrophobicContact CD1-CD1 3.99Å; I334-L348 HydrophobicContact CD1-CD2 3.56Å; I334-L348 HydrophobicContact CD1-CG 4.44Å; A337-L348 HydrophobicContact CB-CB 4.42Å; L343-L348 HydrophobicContact CD2-CD2 4.15Å; D344-L348 PolarHBondContact O-N 3.45Å; A346-L348 VanDerWaalsContact C-N 3.35Å; A346-L348 PolarHBondContact O-N 3.21Å; L348-E350 PolarHBondContact O-N 2.76Å; L348-R351 PolarHBondContact O-N 3.44Å; L348-I352 HydrophobicContact CD1-CD1 4.42Å; L348-I352 HydrophobicContact CD2-CD1 4.49Å; L348-I352 HydrophobicContact CG-CD1 3.86Å; L348-I352 WeakPolarHBondContact O-CD1 3.25Å; L348-I352 WeakPolarHBondContact O-CG1 3.25Å; L348-I352 PolarHBondContact O-N 3.35Å
349R91.9Very high89.2Confident10 Ų1069.4 Ų69.44%0.03835%0.354CS..Hα-helixtrans-58.4-46.5176.7-174.4-171.4-61.1156.42.4111.9P299 F300 M309 F311 Y345 A346 R351 I352 K353P299-R349 WeakPolarHBondContact O-CD 3.26Å; P299-R349 PolarHBondContact O-NE 2.93Å; F300-R349 HydrophobicContact CD1-CG 3.71Å; F300-R349 HydrophobicContact CE1-CG 4.07Å; M309-R349 PolarHBondContact O-NH2 3.29Å; F311-R349 HydrophobicContact CE1-CB 4.02Å; Y345-R349 WeakPolarHBondContact O-CB 3.5Å; Y345-R349 PolarHBondContact O-N 2.78Å; A346-R349 PolarHBondContact O-N 2.82Å; R349-R351 VanDerWaalsContact C-N 3.3Å; R349-R351 PolarHBondContact O-N 3.15Å; R349-I352 PolarHBondContact O-N 3.47Å; R349-K353 HydrophobicContact CG-CD 3.9Å; R349-K353 HydrophobicContact CG-CG 4.42Å; R349-K353 WeakPolarHBondContact O-CB 3.37Å; R349-K353 WeakPolarHBondContact O-CG 3.23Å; R349-K353 PolarHBondContact O-N 2.9Å
350E91.5Very high90Very high105 Ų10565.2 Ų65.249%0.49134%0.337SS..Hα-helixtrans-63.9-36179.5-68.7-52.3120.200112.1A346 L348 K353 A354A346-E350 PolarHBondContact O-N 3.44Å; A346-E350 VanDerWaalsContact O-N 3.12Å; L348-E350 PolarHBondContact O-N 2.76Å; E350-K353 PolarHBondContact O-N 3.08Å; E350-K353 IonicContact OE1-NZ 3.56Å; E350-K353 PolarHBondContact OE1-NZ 2.81Å; E350-K353 IonicContact OE2-NZ 2.7Å; E350-K353 PolarHBondContact OE2-NZ 2.95Å; E350-A354 WeakPolarHBondContact O-CB 3.41Å; E350-A354 PolarHBondContact O-N 3.21Å
351R92.4Very high91Very high65 Ų6554.8 Ų54.825%0.24529%0.292CS..Hα-helixtrans-64.7-44.5173.5-70.7177.5175.7-157.6-11.2112.7Q333 E336 K347 L348 R349 A354 G355Q333-R351 PolarHBondContact O-NH1 2.82Å; E336-R351 IonicContact OE2-CZ 3.31Å; E336-R351 IonicContact OE2-NH1 2.6Å; E336-R351 PolarHBondContact OE2-NH1 2.94Å; E336-R351 IonicContact OE2-NH2 3.1Å; E336-R351 PolarHBondContact OE2-NH2 3.34Å; K347-R351 WeakPolarHBondContact O-CG 2.95Å; K347-R351 PolarHBondContact O-N 3.45Å; L348-R351 PolarHBondContact O-N 3.44Å; R349-R351 VanDerWaalsContact C-N 3.3Å; R349-R351 PolarHBondContact O-N 3.15Å; R351-A354 PolarHBondContact O-N 2.83Å; R351-G355 PolarHBondContact O-N 3.23Å; R351-G355 VanDerWaalsContact O-N 3.17Å
352I93.4Very high92.1Very high0 Ų053 Ų530%027%0.268CS..Hα-helixtrans-65.7-39.9178.2-66.8159.3000110.8F300 F311 P317 V318 H321 L348 R349 A354 G355 V358F300-I352 HydrophobicContact CD1-CB 4.43Å; F300-I352 HydrophobicContact CD1-CG2 4.06Å; F300-I352 HydrophobicContact CE1-CB 3.99Å; F300-I352 HydrophobicContact CE1-CD1 3.9Å; F300-I352 HydrophobicContact CE1-CG2 3.7Å; F300-I352 HydrophobicContact CZ-CD1 4.34Å; F300-I352 HydrophobicContact CZ-CG2 4.38Å; F311-I352 HydrophobicContact CE2-CD1 3.95Å; F311-I352 HydrophobicContact CZ-CD1 3.83Å; P317-I352 HydrophobicContact CB-CG2 4.46Å; V318-I352 HydrophobicContact CG1-CD1 4.44Å; V318-I352 HydrophobicContact CG2-CD1 3.91Å; H321-I352 HydrophobicContact CB-CG1 4.34Å; H321-I352 HydrophobicContact CB-CG2 4.15Å; L348-I352 HydrophobicContact CD1-CD1 4.42Å; L348-I352 HydrophobicContact CD2-CD1 4.49Å; L348-I352 HydrophobicContact CG-CD1 3.86Å; L348-I352 WeakPolarHBondContact O-CD1 3.25Å; L348-I352 WeakPolarHBondContact O-CG1 3.25Å; L348-I352 PolarHBondContact O-N 3.35Å; R349-I352 PolarHBondContact O-N 3.47Å; I352-A354 VanDerWaalsContact C-N 3.35Å; I352-G355 PolarHBondContact O-N 3.32Å; I352-G355 VanDerWaalsContact O-N 3.17Å; I352-V358 HydrophobicContact CG2-CG2 3.86Å
353K92.9Very high93Very high90 Ų9048 Ų4839%0.39126%0.256SS..Hα-helixtrans-64.7-35.9175.4-76.5170.163.4-162.20112.9F300 R349 E350 V358F300-K353 HydrophobicContact CB-CG 4.24Å; F300-K353 HydrophobicContact CD1-CG 4.26Å; F300-K353 WeakPolarHBondContact O-CD 3.41Å; R349-K353 HydrophobicContact CG-CD 3.9Å; R349-K353 HydrophobicContact CG-CG 4.42Å; R349-K353 WeakPolarHBondContact O-CB 3.37Å; R349-K353 WeakPolarHBondContact O-CG 3.23Å; R349-K353 PolarHBondContact O-N 2.9Å; E350-K353 PolarHBondContact O-N 3.08Å; E350-K353 IonicContact OE1-NZ 3.56Å; E350-K353 PolarHBondContact OE1-NZ 2.81Å; E350-K353 IonicContact OE2-NZ 2.7Å; E350-K353 PolarHBondContact OE2-NZ 2.95Å; K353-V358 HydrophobicContact CG-CG2 4.24Å
354A92.6Very high93.6Very high91 Ų9147 Ų4775%0.75225%0.251SS*.Hα-helixtrans-71.7-21.3174.900000112.8E350 R351 I352E350-A354 WeakPolarHBondContact O-CB 3.41Å; E350-A354 PolarHBondContact O-N 3.21Å; R351-A354 PolarHBondContact O-N 2.83Å; I352-A354 VanDerWaalsContact C-N 3.35Å
355G92.5Very high94.1Very high26 Ų2644.7 Ų44.727%0.26824%0.238SC..SBendtrans-84.9-169.7175.100000114.2R351 I352R351-G355 PolarHBondContact O-N 3.23Å; R351-G355 VanDerWaalsContact O-N 3.17Å; I352-G355 PolarHBondContact O-N 3.32Å; I352-G355 VanDerWaalsContact O-N 3.17Å
356K94.5Very high94.5Very high141 Ų14146.8 Ų46.861%0.61325%0.246SC*.SBendtrans-92.9-2.1178.5-66.3-176.4-179.8178.70114.1F324 T359 S360F324-K356 HydrophobicContact CD2-CB 3.87Å; F324-K356 HydrophobicContact CE2-CB 4.05Å; F324-K356 HydrophobicContact CG-CB 4.41Å; K356-T359 PolarHBondContact O-OG1 3.36Å; K356-T359 VanDerWaalsContact O-OG1 3.14Å; K356-S360 WeakPolarHBondContact O-CB 3.49Å; K356-S360 PolarHBondContact O-N 3.22Å; K356-S360 PolarHBondContact O-OG 3.13Å
357G95.3Very high95Very high0 Ų051.3 Ų51.30%026%0.259CS..Hα-helixtrans-62.2-48-174.500000113.1P317 A361P317-G357 WeakPolarHBondContact O-CA 3.38Å; G357-A361 WeakPolarHBondContact O-CB 3.49Å; G357-A361 PolarHBondContact O-N 3.02Å
358V96.1Very high95.4Very high13 Ų1348.4 Ų48.48%0.07925%0.246CC..Hα-helixtrans-65.9-47.7-178.3-175.30000111.8V297 F300 I301 P317 I352 K353 S360 A361 I362V297-V358 HydrophobicContact CG1-CG1 4.46Å; F300-V358 HydrophobicContact CB-CG1 4.01Å; F300-V358 HydrophobicContact CB-CG2 3.84Å; F300-V358 HydrophobicContact CD1-CG2 3.99Å; F300-V358 HydrophobicContact CG-CG2 3.95Å; I301-V358 HydrophobicContact CG2-CG1 4.17Å; P317-V358 HydrophobicContact CB-CG2 4.36Å; I352-V358 HydrophobicContact CG2-CG2 3.86Å; K353-V358 HydrophobicContact CG-CG2 4.24Å; V358-S360 PolarHBondContact O-N 3.41Å; V358-A361 PolarHBondContact O-N 2.74Å; V358-I362 HydrophobicContact CG1-CD1 4.21Å; V358-I362 WeakPolarHBondContact O-CG1 3.44Å; V358-I362 PolarHBondContact O-N 2.73Å
359T96.5Very high95.8Very high78 Ų7848.4 Ų48.448%0.47925%0.246SC..Hα-helixtrans-64-41.7179.949.50000111.4K356 A361 I362 D363K356-T359 PolarHBondContact O-OG1 3.36Å; K356-T359 VanDerWaalsContact O-OG1 3.14Å; T359-A361 VanDerWaalsContact C-N 3.34Å; T359-A361 PolarHBondContact O-N 3.01Å; T359-I362 WeakPolarHBondContact O-CB 3.18Å; T359-I362 PolarHBondContact O-N 2.99Å; T359-D363 PolarHBondContact O-N 3.13Å
360S97.5Very high96.1Very high27 Ų2752.2 Ų52.219%0.18927%0.268CS..Hα-helixtrans-67.2-34176.9-54.70000112.5F324 K356 V358 D363 L364F324-S360 WeakPolarHBondContact CE2-OG 3.31Å; K356-S360 WeakPolarHBondContact O-CB 3.49Å; K356-S360 PolarHBondContact O-N 3.22Å; K356-S360 PolarHBondContact O-OG 3.13Å; V358-S360 PolarHBondContact O-N 3.41Å; S360-D363 PolarHBondContact O-N 3.35Å; S360-L364 WeakPolarHBondContact O-CB 3.17Å; S360-L364 PolarHBondContact O-N 3.1Å
361A97.9Very high96.4Very high0 Ų050.3 Ų50.30%026%0.257CS..Hα-helixtrans-67-39.3173.300000111.7I293 V297 A316 P317 L320 G357 V358 T359 L364 C365I293-A361 HydrophobicContact CG2-CB 4.34Å; I293-A361 WeakPolarHBondContact CG2-O 3.42Å; V297-A361 HydrophobicContact CG2-CB 3.74Å; A316-A361 HydrophobicContact CB-CB 4.26Å; P317-A361 HydrophobicContact CB-CB 4.23Å; P317-A361 HydrophobicContact CG-CB 3.77Å; L320-A361 HydrophobicContact CD1-CB 3.91Å; G357-A361 WeakPolarHBondContact O-CB 3.49Å; G357-A361 PolarHBondContact O-N 3.02Å; V358-A361 PolarHBondContact O-N 2.74Å; T359-A361 VanDerWaalsContact C-N 3.34Å; T359-A361 PolarHBondContact O-N 3.01Å; A361-L364 PolarHBondContact O-N 3.43Å; A361-C365 WeakPolarHBondContact O-CB 3.27Å; A361-C365 PolarHBondContact O-N 3.5Å
362I97.8Very high96.7Very high22 Ų2247.2 Ų47.211%0.11325%0.246CC..Hα-helixtrans-60.6-45.7173.3-74168000110.8V297 I301 V358 T359 L364 C365 R366 F398V297-I362 HydrophobicContact CG1-CD1 4.21Å; V297-I362 HydrophobicContact CG1-CG1 3.84Å; V297-I362 HydrophobicContact CG2-CG1 4.31Å; I301-I362 HydrophobicContact CG2-CD1 4.39Å; V358-I362 HydrophobicContact CG1-CD1 4.21Å; V358-I362 WeakPolarHBondContact O-CG1 3.44Å; V358-I362 PolarHBondContact O-N 2.73Å; T359-I362 WeakPolarHBondContact O-CB 3.18Å; T359-I362 PolarHBondContact O-N 2.99Å; I362-L364 VanDerWaalsContact C-N 3.35Å; I362-L364 PolarHBondContact O-N 3.13Å; I362-C365 WeakPolarHBondContact O-CB 3.22Å; I362-C365 PolarHBondContact O-N 2.97Å; I362-R366 VanDerWaalsContact CG2-CZ 3.49Å; I362-R366 WeakPolarHBondContact O-CG 3.34Å; I362-R366 PolarHBondContact O-N 2.79Å; I362-F398 HydrophobicContact CB-CD2 4.34Å; I362-F398 HydrophobicContact CB-CE2 4.24Å; I362-F398 HydrophobicContact CD1-CD1 4.48Å; I362-F398 HydrophobicContact CD1-CG 4.38Å; I362-F398 HydrophobicContact CG1-CD1 4.07Å; I362-F398 HydrophobicContact CG1-CD2 4.19Å; I362-F398 HydrophobicContact CG1-CE1 4.1Å; I362-F398 HydrophobicContact CG1-CE2 4.22Å; I362-F398 HydrophobicContact CG1-CG 4.09Å; I362-F398 HydrophobicContact CG1-CZ 4.16Å; I362-F398 HydrophobicContact CG2-CD2 3.56Å; I362-F398 HydrophobicContact CG2-CE2 3.77Å; I362-F398 HydrophobicContact CG2-CG 4.15Å
363D98Very high96.9Very high90 Ų9048.6 Ų48.648%0.48125%0.253SS..Hα-helixtrans-66.2-37.9178.2-68-23.8000111.8T359 S360 R366 Y367T359-D363 PolarHBondContact O-N 3.13Å; S360-D363 PolarHBondContact O-N 3.35Å; D363-R366 PolarHBondContact O-N 3.12Å; D363-R366 IonicContact OD1-NH1 3.31Å; D363-R366 PolarHBondContact OD1-NH1 2.65Å; D363-Y367 WeakPolarHBondContact O-CB 3.15Å; D363-Y367 PolarHBondContact O-N 2.89Å
364L98.3Very high97.2Very high21 Ų2148.3 Ų48.311%0.1125%0.253CS..Hα-helixtrans-64.4-39.3173.2-176.161.9000112.2I244 W247 I293 S360 A361 I362 Y367 H368I244-L364 HydrophobicContact CD1-CD2 4.14Å; I244-L364 HydrophobicContact CG1-CD2 4.47Å; W247-L364 HydrophobicContact CZ3-CD2 4.29Å; I293-L364 HydrophobicContact CD1-CD2 4.07Å; I293-L364 HydrophobicContact CD1-CG 3.81Å; S360-L364 WeakPolarHBondContact O-CB 3.17Å; S360-L364 PolarHBondContact O-N 3.1Å; A361-L364 PolarHBondContact O-N 3.43Å; I362-L364 VanDerWaalsContact C-N 3.35Å; I362-L364 PolarHBondContact O-N 3.13Å; L364-Y367 HydrophobicContact CD1-CD1 4.24Å; L364-Y367 WeakPolarHBondContact O-CB 3.41Å; L364-Y367 PolarHBondContact O-N 2.87Å; L364-H368 PolarHBondContact O-CD2 2.98Å; L364-H368 VanDerWaalsContact O-CD2 3.31Å; L364-H368 PolarHBondContact O-N 3.24Å
365C98.1Very high97.5Very high0 Ų044.1 Ų44.10%022%0.219CC..Hα-helixtrans-60.7-46.9173.5177.20000111.2S290 I293 A361 I362 Y367 H368 G369 F398S290-C365 PolarHBondContact O-SG 3.47Å; S290-C365 VanDerWaalsContact O-SG 3.41Å; S290-C365 PolarHBondContact OG-O 3.33Å; S290-C365 VanDerWaalsContact OG-O 3.12Å; S290-C365 PolarHBondContact OG-SG 3.04Å; I293-C365 HydrophobicContact CB-CB 3.98Å; I293-C365 HydrophobicContact CG2-CB 3.66Å; A361-C365 WeakPolarHBondContact O-CB 3.27Å; A361-C365 PolarHBondContact O-N 3.5Å; I362-C365 WeakPolarHBondContact O-CB 3.22Å; I362-C365 PolarHBondContact O-N 2.97Å; C365-Y367 VanDerWaalsContact C-N 3.34Å; C365-Y367 PolarHBondContact O-N 3.11Å; C365-H368 PolarHBondContact O-N 3.18Å; C365-G369 PolarHBondContact O-N 3.27Å; C365-F398 HydrophobicContact CB-CE2 4.02Å; C365-F398 HydrophobicContact CB-CZ 3.73Å; C365-F398 VanDerWaalsContact SG-CZ 3.51Å
366R98.2Very high97.7Very high107 Ų10742.9 Ų42.940%0.40421%0.206SC..Hα-helixtrans-62-40.4176.1-70.5171.9178.9150.7-3.3112.2I362 D363 H368 G369 N370I362-R366 VanDerWaalsContact CG2-CZ 3.49Å; I362-R366 WeakPolarHBondContact O-CG 3.34Å; I362-R366 PolarHBondContact O-N 2.79Å; D363-R366 PolarHBondContact O-N 3.12Å; D363-R366 IonicContact OD1-NH1 3.31Å; D363-R366 PolarHBondContact OD1-NH1 2.65Å; R366-H368 PolarHBondContact O-N 3.29Å; R366-G369 PolarHBondContact O-N 3.01Å; R366-N370 VanDerWaalsContact O-CG 3.31Å; R366-N370 PolarHBondContact O-N 3.44Å
367Y98.6Very high97.8Very high118 Ų11842.6 Ų42.646%0.46321%0.207SC..Hα-helixtrans-56.2-50.5174168.5-95.4000111.6D363 L364 C365 G369 N370 K371D363-Y367 WeakPolarHBondContact O-CB 3.15Å; D363-Y367 PolarHBondContact O-N 2.89Å; L364-Y367 HydrophobicContact CD1-CD1 4.24Å; L364-Y367 WeakPolarHBondContact O-CB 3.41Å; L364-Y367 PolarHBondContact O-N 2.87Å; C365-Y367 VanDerWaalsContact C-N 3.34Å; C365-Y367 PolarHBondContact O-N 3.11Å; Y367-G369 VanDerWaalsContact C-N 3.34Å; Y367-G369 PolarHBondContact O-N 2.97Å; Y367-N370 PolarHBondContact O-N 3.06Å; Y367-K371 HydrophobicContact CE1-CG 4.21Å; Y367-K371 HydrophobicContact CE2-CG 4.12Å; Y367-K371 WeakPolarHBondContact O-CG 3.45Å; Y367-K371 PolarHBondContact O-N 3.5Å
368H98.6Very high97.7Very high12 Ų1245.6 Ų45.66%0.05623%0.228CC..Hα-helixtrans-65.5-37.7176.9-80-79.7000111.9H286 M289 L364 C365 R366 K371 A372H286-H368 WeakPolarHBondContact CB-O 3.39Å; H286-H368 AromaticContact CE1-ND1 3.67Å; H286-H368 AromaticContact ND1-CE1 3.85Å; H286-H368 AromaticContact ND1-CG 3.87Å; H286-H368 AromaticContact ND1-ND1 3.01Å; H286-H368 PolarHBondContact ND1-ND1 3.08Å; M289-H368 HydrophobicContact CB-CB 4.28Å; M289-H368 WeakPolarHBondContact CB-ND1 3.31Å; L364-H368 PolarHBondContact O-CD2 2.98Å; L364-H368 VanDerWaalsContact O-CD2 3.31Å; L364-H368 PolarHBondContact O-N 3.24Å; C365-H368 PolarHBondContact O-N 3.18Å; R366-H368 PolarHBondContact O-N 3.29Å; H368-K371 PolarHBondContact O-N 3.31Å; H368-A372 PolarHBondContact O-N 3.43Å
369G98.3Very high97.7Very high0 Ų045.1 Ų45.10%023%0.225CC..Hα-helixtrans-58.6-49.7172.900000112.9C365 R366 Y367 K371 A372 L373 V392C365-G369 PolarHBondContact O-N 3.27Å; R366-G369 PolarHBondContact O-N 3.01Å; Y367-G369 VanDerWaalsContact C-N 3.34Å; Y367-G369 PolarHBondContact O-N 2.97Å; G369-K371 VanDerWaalsContact C-N 3.33Å; G369-K371 PolarHBondContact O-N 2.96Å; G369-A372 WeakPolarHBondContact O-CB 3.49Å; G369-A372 PolarHBondContact O-N 2.81Å; G369-A372 VanDerWaalsContact O-N 3.08Å; G369-L373 WeakPolarHBondContact O-CG 3.34Å; G369-L373 PolarHBondContact O-N 3.26Å; G369-V392 WeakPolarHBondContact O-CG1 3.42Å
370N98.6Very high97.6Very high91 Ų9144.9 Ų44.949%0.48722%0.224SC..Hα-helixtrans-60.7-42.1178.6-69.1-11.8000111.9R366 Y367 A372 L373 E374R366-N370 VanDerWaalsContact O-CG 3.31Å; R366-N370 PolarHBondContact O-N 3.44Å; Y367-N370 PolarHBondContact O-N 3.06Å; N370-A372 VanDerWaalsContact C-N 3.29Å; N370-A372 PolarHBondContact O-N 3.05Å; N370-L373 WeakPolarHBondContact O-CB 3.35Å; N370-L373 PolarHBondContact O-N 3.4Å; N370-L373 VanDerWaalsContact O-N 3.09Å; N370-E374 WeakPolarHBondContact O-CG 3.34Å; N370-E374 PolarHBondContact O-N 3.01Å
371K98.8Very high97.5Very high64 Ų6449.3 Ų49.328%0.27825%0.253SS..Hα-helixtrans-62.8-33.9174.8-71.6-72.6164-150.50113.2H286 Y367 H368 G369 E374 A375H286-K371 HydrophobicContact CB-CB 4.16Å; H286-K371 VanDerWaalsContact ND1-CB 3.28Å; H286-K371 WeakPolarHBondContact ND1-CB 3.35Å; Y367-K371 HydrophobicContact CE1-CG 4.21Å; Y367-K371 HydrophobicContact CE2-CG 4.12Å; Y367-K371 WeakPolarHBondContact O-CG 3.45Å; Y367-K371 PolarHBondContact O-N 3.5Å; H368-K371 PolarHBondContact O-N 3.31Å; G369-K371 VanDerWaalsContact C-N 3.33Å; G369-K371 PolarHBondContact O-N 2.96Å; K371-E374 WeakPolarHBondContact CD-OE2 3.46Å; K371-E374 IonicContact NZ-OE1 2.9Å; K371-E374 PolarHBondContact NZ-OE1 3.33Å; K371-E374 IonicContact NZ-OE2 3.76Å; K371-E374 PolarHBondContact NZ-OE2 3.06Å; K371-A375 PolarHBondContact O-N 3.18Å; K371-A375 VanDerWaalsContact O-N 3.12Å
372A98.5Very high97.5Very high0 Ų051.1 Ų51.10%027%0.265CS..Hα-helixtrans-67.2-40.5171.900000111.4Y283 H286 M287 H368 G369 N370 A375 L376 V392Y283-A372 HydrophobicContact CD2-CB 3.97Å; Y283-A372 WeakPolarHBondContact CD2-O 3.16Å; Y283-A372 HydrophobicContact CE2-CB 4.13Å; H286-A372 HydrophobicContact CB-CB 3.87Å; M287-A372 HydrophobicContact CB-CB 4.49Å; H368-A372 PolarHBondContact O-N 3.43Å; G369-A372 WeakPolarHBondContact O-CB 3.49Å; G369-A372 PolarHBondContact O-N 2.81Å; G369-A372 VanDerWaalsContact O-N 3.08Å; N370-A372 VanDerWaalsContact C-N 3.29Å; N370-A372 PolarHBondContact O-N 3.05Å; A372-A375 WeakPolarHBondContact O-CB 3.41Å; A372-A375 PolarHBondContact O-N 2.67Å; A372-L376 PolarHBondContact O-N 2.83Å; A372-V392 HydrophobicContact CB-CG2 3.99Å
373L98.5Very high97.4Very high29 Ų2956.8 Ų56.815%0.15229%0.291CS..Hα-helixtrans-64.9-43.9176.2-63.8172.2000112.1G369 N370 A375 L376 E377 E389 V392 F393G369-L373 WeakPolarHBondContact O-CG 3.34Å; G369-L373 PolarHBondContact O-N 3.26Å; N370-L373 WeakPolarHBondContact O-CB 3.35Å; N370-L373 PolarHBondContact O-N 3.4Å; N370-L373 VanDerWaalsContact O-N 3.09Å; L373-A375 VanDerWaalsContact C-N 3.26Å; L373-A375 PolarHBondContact O-N 2.84Å; L373-L376 WeakPolarHBondContact O-CB 3.49Å; L373-L376 PolarHBondContact O-N 3.44Å; L373-E377 PolarHBondContact O-N 2.93Å; L373-E389 HydrophobicContact CD2-CB 3.89Å; L373-E389 HydrophobicContact CD2-CG 3.83Å; L373-V392 HydrophobicContact CD1-CG1 4.31Å; L373-V392 HydrophobicContact CD2-CB 3.99Å; L373-V392 HydrophobicContact CD2-CG1 4.04Å; L373-V392 HydrophobicContact CD2-CG2 4.42Å; L373-V392 HydrophobicContact CG-CB 4.4Å; L373-V392 HydrophobicContact CG-CG1 3.9Å; L373-F393 HydrophobicContact CD1-CD1 4.29Å; L373-F393 HydrophobicContact CD1-CE1 3.52Å; L373-F393 HydrophobicContact CD1-CZ 3.89Å; L373-F393 HydrophobicContact CD2-CE1 4.46Å; L373-F393 HydrophobicContact CD2-CZ 4.23Å
374E98.5Very high97.3Very high84 Ų8452.6 Ų52.639%0.39327%0.269SS..Hα-helixtrans-55.5-42.9173.2-71.3171-152.800110.8N370 K371 L376 E377N370-E374 WeakPolarHBondContact O-CG 3.34Å; N370-E374 PolarHBondContact O-N 3.01Å; K371-E374 WeakPolarHBondContact CD-OE2 3.46Å; K371-E374 IonicContact NZ-OE1 2.9Å; K371-E374 PolarHBondContact NZ-OE1 3.33Å; K371-E374 IonicContact NZ-OE2 3.76Å; K371-E374 PolarHBondContact NZ-OE2 3.06Å; E374-L376 PolarHBondContact O-N 2.91Å; E374-E377 WeakPolarHBondContact O-CB 3.46Å; E374-E377 PolarHBondContact O-N 3.45Å; E374-E377 VanDerWaalsContact O-N 3.12Å
375A98.4Very high97.3Very high4 Ų453.5 Ų53.53%0.03327%0.271CS..Hα-helixtrans-62.5-28.617700000113.6M279 Q282 K371 A372 L373 E377 F379M279-A375 HydrophobicContact CE-CB 4.38Å; Q282-A375 HydrophobicContact CB-CB 4.03Å; K371-A375 PolarHBondContact O-N 3.18Å; K371-A375 VanDerWaalsContact O-N 3.12Å; A372-A375 WeakPolarHBondContact O-CB 3.41Å; A372-A375 PolarHBondContact O-N 2.67Å; L373-A375 VanDerWaalsContact C-N 3.26Å; L373-A375 PolarHBondContact O-N 2.84Å; A375-E377 VanDerWaalsContact C-N 3.29Å; A375-E377 PolarHBondContact O-N 2.67Å; A375-F379 WeakPolarHBondContact O-CE2 3.35Å
376L98Very high97.3Very high0 Ų056.1 Ų56.10%029%0.289CS..Hα-helixtrans-75.9-15.5177.7-68.4178.1000113.5I119 Y283 A372 L373 E374 S378 F379 R385 L388 E389I119-L376 HydrophobicContact CD1-CD2 3.81Å; Y283-L376 HydrophobicContact CD2-CD1 3.96Å; Y283-L376 HydrophobicContact CD2-CD2 3.48Å; Y283-L376 VanDerWaalsContact CD2-CD2 3.48Å; Y283-L376 HydrophobicContact CD2-CG 3.51Å; Y283-L376 HydrophobicContact CE2-CD1 3.61Å; Y283-L376 HydrophobicContact CE2-CD2 3.78Å; Y283-L376 HydrophobicContact CE2-CG 3.73Å; Y283-L376 HydrophobicContact CG-CD2 3.91Å; Y283-L376 HydrophobicContact CG-CG 4.39Å; A372-L376 PolarHBondContact O-N 2.83Å; L373-L376 WeakPolarHBondContact O-CB 3.49Å; L373-L376 PolarHBondContact O-N 3.44Å; E374-L376 PolarHBondContact O-N 2.91Å; L376-S378 PolarHBondContact O-N 2.91Å; L376-F379 HydrophobicContact CD2-CD2 4.32Å; L376-F379 PolarHBondContact O-N 3.25Å; L376-R385 HydrophobicContact CB-CG 4.42Å; L376-R385 VanDerWaalsContact O-CZ 3.28Å; L376-R385 PolarHBondContact O-NE 3.2Å; L376-R385 PolarHBondContact O-NH1 3.18Å; L376-L388 HydrophobicContact CD1-CB 3.65Å; L376-L388 HydrophobicContact CD2-CB 4.13Å; L376-L388 HydrophobicContact CD2-CD1 3.75Å; L376-E389 HydrophobicContact CD1-CG 3.63Å
377E96.1Very high97.2Very high135 Ų13551.2 Ų51.263%0.63127%0.272SS*.THydrogen-bonded Turntrans-62.6-29.9-177.7-66.2-176.2171.800112.9L373 E374 A375 F379 R385L373-E377 PolarHBondContact O-N 2.93Å; E374-E377 WeakPolarHBondContact O-CB 3.46Å; E374-E377 PolarHBondContact O-N 3.45Å; E374-E377 VanDerWaalsContact O-N 3.12Å; A375-E377 VanDerWaalsContact C-N 3.29Å; A375-E377 PolarHBondContact O-N 2.67Å; E377-F379 PolarHBondContact O-N 3.34Å; E377-R385 PolarHBondContact O-NH1 2.93Å
378S92.9Very high97.1Very high62 Ų6245.6 Ų45.643%0.43425%0.25SC..THydrogen-bonded Turntrans-71-12.7176.2-56.60000114.4M279 L376M279-S378 WeakPolarHBondContact CE-OG 3.22Å; L376-S378 PolarHBondContact O-N 2.91Å
379F95.6Very high97.1Very high4 Ų447.1 Ų47.12%0.01826%0.257CS..SBendtrans-96.2142.5178.7-61.1-93.4000110.5I119 A122 A123 M267 V276 M279 A280 A375 L376 E377 R385I119-F379 HydrophobicContact CD1-CD1 4.33Å; I119-F379 HydrophobicContact CD1-CD2 4.31Å; I119-F379 HydrophobicContact CD1-CE1 3.96Å; I119-F379 HydrophobicContact CD1-CE2 3.91Å; I119-F379 HydrophobicContact CD1-CZ 3.73Å; I119-F379 HydrophobicContact CG1-CE1 4.12Å; I119-F379 HydrophobicContact CG1-CZ 4.09Å; A122-F379 HydrophobicContact CB-CB 4.49Å; A123-F379 HydrophobicContact CB-CD1 3.78Å; A123-F379 HydrophobicContact CB-CE1 3.84Å; M267-F379 HydrophobicContact SD-CE1 3.97Å; V276-F379 HydrophobicContact CG1-CE1 3.96Å; V276-F379 HydrophobicContact CG1-CZ 4.36Å; M279-F379 HydrophobicContact CB-CE2 4.06Å; M279-F379 HydrophobicContact CB-CZ 4.38Å; A280-F379 HydrophobicContact CB-CZ 4Å; A375-F379 WeakPolarHBondContact O-CE2 3.35Å; L376-F379 HydrophobicContact CD2-CD2 4.32Å; L376-F379 PolarHBondContact O-N 3.25Å; E377-F379 PolarHBondContact O-N 3.34Å; F379-R385 WeakPolarHBondContact O-CD 3.22Å; F379-R385 PolarHBondContact O-NH1 3.06Å
380P94.5Very high97Very high72 Ų7251.1 Ų51.147%0.46828%0.278SS..PPolyproline II helixtrans-61.9145.2-178.125.1-34.1000112A122 S382A122-P380 VanDerWaalsContact O-CD 3.3Å; A122-P380 WeakPolarHBondContact O-CD 3.43Å; A122-P380 VanDerWaalsContact O-CG 3.28Å; A122-P380 WeakPolarHBondContact O-CG 3.46Å; P380-S382 PolarHBondContact O-N 3.15Å; P380-S382 PolarHBondContact O-OG 2.94Å
381P96.2Very high96.8Very high121 Ų12146.8 Ų46.879%0.78626%0.255SS*.SBendtrans-54.6123.6173.8-25.134.2000111.3
382S96.8Very high96.6Very high38 Ų3843.8 Ų43.827%0.26624%0.242SC..  trans-159.6161.9-177.860.70000110.3P380 A384 R385 S386P380-S382 PolarHBondContact O-N 3.15Å; P380-S382 PolarHBondContact O-OG 2.94Å; S382-A384 PolarHBondContact O-N 3.48Å; S382-R385 PolarHBondContact O-N 3.28Å; S382-R385 VanDerWaalsContact O-N 3.16Å; S382-R385 PolarHBondContact OG-N 2.85Å; S382-R385 VanDerWaalsContact OG-N 3.15Å; S382-S386 PolarHBondContact O-N 3.13Å; S382-S386 PolarHBondContact O-OG 3.4Å
383E96.3Very high96.5Very high141 Ų14148.7 Ų48.766%0.65926%0.264SS*.Hα-helixtrans-56.8-35.4173.2-65.4-176.8166.100112I59 S386 A387I59-E383 HydrophobicContact CD1-CB 4.25Å; I59-E383 HydrophobicContact CG1-CB 4.43Å; I59-E383 HydrophobicContact CG2-CB 4.39Å; E383-S386 PolarHBondContact O-N 2.74Å; E383-A387 WeakPolarHBondContact O-CB 3.4Å; E383-A387 PolarHBondContact O-N 2.93Å
384A96.4Very high96.2Very high1 Ų148 Ų481%0.00826%0.262CS..Hα-helixtrans-65.7-44.4177.400000112.1I59 L118 K121 A122 S382 A387 L388I59-A384 HydrophobicContact CG2-CB 4.15Å; L118-A384 HydrophobicContact CD2-CB 4.32Å; K121-A384 HydrophobicContact CB-CB 3.84Å; K121-A384 HydrophobicContact CD-CB 4Å; K121-A384 HydrophobicContact CG-CB 3.93Å; A122-A384 HydrophobicContact CB-CB 4Å; S382-A384 PolarHBondContact O-N 3.48Å; A384-A387 PolarHBondContact O-N 2.99Å; A384-L388 WeakPolarHBondContact O-CG 3.32Å; A384-L388 PolarHBondContact O-N 3.2Å; A384-L388 VanDerWaalsContact O-N 3.09Å
385R97.7Very high95.8Very high40 Ų4044.2 Ų44.215%0.15124%0.244CC..Hα-helixtrans-60.5-48.6173.2177.7177.8157.61682.8110.8A122 L376 E377 F379 S382 A387 L388 E389A122-R385 HydrophobicContact CB-CB 4.25Å; L376-R385 HydrophobicContact CB-CG 4.42Å; L376-R385 VanDerWaalsContact O-CZ 3.28Å; L376-R385 PolarHBondContact O-NE 3.2Å; L376-R385 PolarHBondContact O-NH1 3.18Å; E377-R385 PolarHBondContact O-NH1 2.93Å; F379-R385 WeakPolarHBondContact O-CD 3.22Å; F379-R385 PolarHBondContact O-NH1 3.06Å; S382-R385 PolarHBondContact O-N 3.28Å; S382-R385 VanDerWaalsContact O-N 3.16Å; S382-R385 PolarHBondContact OG-N 2.85Å; S382-R385 VanDerWaalsContact OG-N 3.15Å; R385-A387 PolarHBondContact O-N 3.46Å; R385-L388 WeakPolarHBondContact O-CB 3.44Å; R385-L388 PolarHBondContact O-N 3.24Å; R385-L388 VanDerWaalsContact O-N 3.08Å; R385-E389 IonicContact CZ-OE1 3.65Å; R385-E389 IonicContact NE-OE1 2.66Å; R385-E389 PolarHBondContact NE-OE1 3.42Å; R385-E389 IonicContact NH2-OE1 3.46Å; R385-E389 PolarHBondContact NH2-OE1 3.31Å; R385-E389 WeakPolarHBondContact O-CG 3.19Å; R385-E389 PolarHBondContact O-N 2.96Å
386S97.9Very high95.5Very high55 Ų5545.1 Ų45.139%0.38525%0.25SC..Hα-helixtrans-59.9-34.7177.7-54.40000112.6S382 E383 E389 N390S382-S386 PolarHBondContact O-N 3.13Å; S382-S386 PolarHBondContact O-OG 3.4Å; E383-S386 PolarHBondContact O-N 2.74Å; S386-E389 PolarHBondContact O-N 3.19Å; S386-N390 WeakPolarHBondContact O-CB 3.41Å; S386-N390 PolarHBondContact O-N 3.31Å; S386-N390 PolarHBondContact O-ND2 3.17Å; S386-N390 VanDerWaalsContact O-ND2 3.14Å
387A96.1Very high95.1Very high5 Ų550.3 Ų50.34%0.04127%0.269CS..Hα-helixtrans-66.8-40.7174.700000112.6A56 I59 L118 E383 A384 R385 E389 N390 I391A56-A387 HydrophobicContact CB-CB 4.31Å; I59-A387 HydrophobicContact CD1-CB 3.61Å; L118-A387 HydrophobicContact CD1-CB 4.26Å; L118-A387 HydrophobicContact CD2-CB 3.93Å; E383-A387 WeakPolarHBondContact O-CB 3.4Å; E383-A387 PolarHBondContact O-N 2.93Å; A384-A387 PolarHBondContact O-N 2.99Å; R385-A387 PolarHBondContact O-N 3.46Å; A387-E389 VanDerWaalsContact C-N 3.34Å; A387-N390 PolarHBondContact O-N 2.99Å; A387-I391 WeakPolarHBondContact O-CG1 3.32Å; A387-I391 PolarHBondContact O-N 3.01Å
388L97.5Very high94.5Very high0 Ų045.5 Ų45.50%025%0.246CC..Hα-helixtrans-62.8-41.1173.7-67.5166.8000111.6V115 L118 I119 A122 Y283 L376 A384 R385 I391 V392V115-L388 HydrophobicContact CG1-CD2 4.37Å; V115-L388 HydrophobicContact CG2-CD2 4.45Å; L118-L388 HydrophobicContact CB-CD1 4.17Å; L118-L388 HydrophobicContact CB-CD2 3.51Å; L118-L388 HydrophobicContact CB-CG 3.76Å; L118-L388 HydrophobicContact CD1-CD2 3.78Å; L118-L388 HydrophobicContact CD1-CG 4.19Å; L118-L388 HydrophobicContact CG-CD2 4.34Å; I119-L388 HydrophobicContact CB-CD1 4.27Å; I119-L388 HydrophobicContact CD1-CD1 3.75Å; A122-L388 HydrophobicContact CB-CD1 4.18Å; Y283-L388 HydrophobicContact CE1-CD2 3.69Å; Y283-L388 HydrophobicContact CE2-CB 4.21Å; Y283-L388 WeakPolarHBondContact OH-CB 3.18Å; Y283-L388 VanDerWaalsContact OH-CD2 3.28Å; Y283-L388 WeakPolarHBondContact OH-CD2 3.44Å; Y283-L388 PolarHBondContact OH-O 2.96Å; L376-L388 HydrophobicContact CD1-CB 3.65Å; L376-L388 HydrophobicContact CD2-CB 4.13Å; L376-L388 HydrophobicContact CD2-CD1 3.75Å; A384-L388 WeakPolarHBondContact O-CG 3.32Å; A384-L388 PolarHBondContact O-N 3.2Å; A384-L388 VanDerWaalsContact O-N 3.09Å; R385-L388 WeakPolarHBondContact O-CB 3.44Å; R385-L388 PolarHBondContact O-N 3.24Å; R385-L388 VanDerWaalsContact O-N 3.08Å; L388-I391 PolarHBondContact O-N 3.25Å; L388-V392 WeakPolarHBondContact O-CG2 3.47Å; L388-V392 PolarHBondContact O-N 3.47Å; L388-V392 VanDerWaalsContact O-N 3.13Å
389E97.9Very high92.9Very high43 Ų4349.8 Ų49.820%0.20128%0.276CS..Hα-helixtrans-62.1-46.5174.2-66.1171.8-179.900110.9L373 L376 R385 S386 A387 I391 V392 F393L373-E389 HydrophobicContact CD2-CB 3.89Å; L373-E389 HydrophobicContact CD2-CG 3.83Å; L376-E389 HydrophobicContact CD1-CG 3.63Å; R385-E389 IonicContact CZ-OE1 3.65Å; R385-E389 IonicContact NE-OE1 2.66Å; R385-E389 PolarHBondContact NE-OE1 3.42Å; R385-E389 IonicContact NH2-OE1 3.46Å; R385-E389 PolarHBondContact NH2-OE1 3.31Å; R385-E389 WeakPolarHBondContact O-CG 3.19Å; R385-E389 PolarHBondContact O-N 2.96Å; S386-E389 PolarHBondContact O-N 3.19Å; A387-E389 VanDerWaalsContact C-N 3.34Å; E389-I391 VanDerWaalsContact C-N 3.32Å; E389-I391 PolarHBondContact O-N 3.15Å; E389-V392 WeakPolarHBondContact O-CB 3.46Å; E389-V392 PolarHBondContact O-N 3.17Å; E389-V392 VanDerWaalsContact O-N 3.08Å; E389-F393 HydrophobicContact CB-CD2 4.45Å; E389-F393 HydrophobicContact CB-CE2 4Å; E389-F393 WeakPolarHBondContact O-CD2 3.42Å; E389-F393 WeakPolarHBondContact O-CG 3.41Å; E389-F393 PolarHBondContact O-N 3.23Å
390N96Very high92.8Very high84 Ų8452.1 Ų52.145%0.44929%0.289SS..Hα-helixtrans-60.5-38.9176.9-74.5-30.4000112.9V52 S386 A387 V392 F393 A394V52-N390 HydrophobicContact CG1-CB 4.14Å; S386-N390 WeakPolarHBondContact O-CB 3.41Å; S386-N390 PolarHBondContact O-N 3.31Å; S386-N390 PolarHBondContact O-ND2 3.17Å; S386-N390 VanDerWaalsContact O-ND2 3.14Å; A387-N390 PolarHBondContact O-N 2.99Å; N390-V392 VanDerWaalsContact C-N 3.35Å; N390-F393 PolarHBondContact O-N 3.46Å; N390-A394 WeakPolarHBondContact O-CB 3.33Å; N390-A394 PolarHBondContact O-N 2.89Å
391I94.3Very high92.7Very high0 Ų051 Ų510%028%0.28CS..Hα-helixtrans-59.8-47.2173.1-72.5167000110W49 V52 A56 L111 L118 M287 A387 L388 E389 A394 V395W49-I391 HydrophobicContact CH2-CG2 4.15Å; W49-I391 HydrophobicContact CZ3-CG2 4.35Å; V52-I391 HydrophobicContact CG1-CG1 3.83Å; A56-I391 HydrophobicContact CB-CD1 4.27Å; L111-I391 HydrophobicContact CD1-CG2 4.28Å; L118-I391 HydrophobicContact CD1-CD1 3.66Å; M287-I391 HydrophobicContact CE-CG2 3.4Å; M287-I391 VanDerWaalsContact CE-CG2 3.4Å; A387-I391 WeakPolarHBondContact O-CG1 3.32Å; A387-I391 PolarHBondContact O-N 3.01Å; L388-I391 PolarHBondContact O-N 3.25Å; E389-I391 VanDerWaalsContact C-N 3.32Å; E389-I391 PolarHBondContact O-N 3.15Å; I391-A394 PolarHBondContact O-N 3.14Å; I391-V395 WeakPolarHBondContact O-CG2 3.36Å; I391-V395 PolarHBondContact O-N 3.25Å
392V95.8Very high92.5Very high2 Ų247.1 Ų47.11%0.01225%0.251CS..Hα-helixtrans-61.8-47.2178.1174.90000111.2Y283 M287 G369 A372 L373 L388 E389 N390 A394 V395 T396Y283-V392 HydrophobicContact CE2-CG2 3.93Å; M287-V392 HydrophobicContact CG-CG2 4.48Å; G369-V392 WeakPolarHBondContact O-CG1 3.42Å; A372-V392 HydrophobicContact CB-CG2 3.99Å; L373-V392 HydrophobicContact CD1-CG1 4.31Å; L373-V392 HydrophobicContact CD2-CB 3.99Å; L373-V392 HydrophobicContact CD2-CG1 4.04Å; L373-V392 HydrophobicContact CD2-CG2 4.42Å; L373-V392 HydrophobicContact CG-CB 4.4Å; L373-V392 HydrophobicContact CG-CG1 3.9Å; L388-V392 WeakPolarHBondContact O-CG2 3.47Å; L388-V392 PolarHBondContact O-N 3.47Å; L388-V392 VanDerWaalsContact O-N 3.13Å; E389-V392 WeakPolarHBondContact O-CB 3.46Å; E389-V392 PolarHBondContact O-N 3.17Å; E389-V392 VanDerWaalsContact O-N 3.08Å; N390-V392 VanDerWaalsContact C-N 3.35Å; V392-A394 VanDerWaalsContact C-N 3.31Å; V392-A394 PolarHBondContact O-N 3.08Å; V392-V395 PolarHBondContact O-N 3.5Å; V392-V395 VanDerWaalsContact O-N 3.15Å; V392-T396 HydrophobicContact CG1-CG2 4.44Å; V392-T396 PolarHBondContact O-N 3.11Å; V392-T396 PolarHBondContact O-OG1 2.82Å
393F95.5Very high92.3Very high103 Ų10347.6 Ų47.645%0.45225%0.251SS..Hα-helixtrans-58.3-43.7177.4-68-47.6000111.9L373 E389 N390 V395 T396 R397L373-F393 HydrophobicContact CD1-CD1 4.29Å; L373-F393 HydrophobicContact CD1-CE1 3.52Å; L373-F393 HydrophobicContact CD1-CZ 3.89Å; L373-F393 HydrophobicContact CD2-CE1 4.46Å; L373-F393 HydrophobicContact CD2-CZ 4.23Å; E389-F393 HydrophobicContact CB-CD2 4.45Å; E389-F393 HydrophobicContact CB-CE2 4Å; E389-F393 WeakPolarHBondContact O-CD2 3.42Å; E389-F393 WeakPolarHBondContact O-CG 3.41Å; E389-F393 PolarHBondContact O-N 3.23Å; N390-F393 PolarHBondContact O-N 3.46Å; F393-V395 VanDerWaalsContact C-N 3.32Å; F393-V395 PolarHBondContact O-N 2.78Å; F393-T396 PolarHBondContact O-N 2.94Å; F393-T396 PolarHBondContact O-OG1 2.81Å; F393-R397 WeakPolarHBondContact O-CB 3.43Å; F393-R397 PolarHBondContact O-N 3.36Å; F393-R397 VanDerWaalsContact O-N 3.12Å
394A91.6Very high92Very high14 Ų1441.8 Ų41.812%0.11623%0.225CC..Hα-helixtrans-62.4-37.9178.200000112.5W49 V52 N390 I391 V392W49-A394 HydrophobicContact CE3-CB 3.74Å; W49-A394 HydrophobicContact CZ3-CB 4.01Å; V52-A394 HydrophobicContact CG1-CB 4.4Å; V52-A394 HydrophobicContact CG2-CB 4.2Å; N390-A394 WeakPolarHBondContact O-CB 3.33Å; N390-A394 PolarHBondContact O-N 2.89Å; I391-A394 PolarHBondContact O-N 3.14Å; V392-A394 VanDerWaalsContact C-N 3.31Å; V392-A394 PolarHBondContact O-N 3.08Å
395V90.6Very high91.7Very high4 Ų444.5 Ų44.52%0.02424%0.24CC..Hα-helixtrans-68.4-40.2174.5172.70000112W49 M287 S290 H291 N294 I391 V392 F393 R397W49-V395 HydrophobicContact CH2-CG2 3.87Å; W49-V395 HydrophobicContact CZ3-CG2 3.57Å; M287-V395 HydrophobicContact CE-CG2 3.86Å; S290-V395 WeakPolarHBondContact OG-CG1 3.35Å; H291-V395 HydrophobicContact CB-CG1 4.34Å; H291-V395 HydrophobicContact CB-CG2 4.46Å; N294-V395 HydrophobicContact CB-CG1 3.81Å; N294-V395 PolarHBondContact ND2-O 3.01Å; I391-V395 WeakPolarHBondContact O-CG2 3.36Å; I391-V395 PolarHBondContact O-N 3.25Å; V392-V395 PolarHBondContact O-N 3.5Å; V392-V395 VanDerWaalsContact O-N 3.15Å; F393-V395 VanDerWaalsContact C-N 3.32Å; F393-V395 PolarHBondContact O-N 2.78Å; V395-R397 VanDerWaalsContact C-N 3.26Å; V395-R397 PolarHBondContact O-N 3.08Å
396T92.5Very high91.3Very high23 Ų2344.9 Ų44.914%0.14125%0.246CC..Hα-helixtrans-83.40.7-177.6580000114.5V392 F393 F398V392-T396 HydrophobicContact CG1-CG2 4.44Å; V392-T396 PolarHBondContact O-N 3.11Å; V392-T396 PolarHBondContact O-OG1 2.82Å; F393-T396 PolarHBondContact O-N 2.94Å; F393-T396 PolarHBondContact O-OG1 2.81Å; T396-F398 WeakPolarHBondContact O-CD2 3.42Å; T396-F398 WeakPolarHBondContact O-CE2 3.33Å; T396-F398 PolarHBondContact O-N 3.11Å
397R88.4Confident90.8Very high109 Ų10944.1 Ų44.141%0.41124%0.235SC..  trans-85.6105.4-178.7-163.717776.9163.58.3110.6H48 F393 V395H48-R397 VanDerWaalsContact CB-NH2 3.29Å; H48-R397 PolarHBondContact CD2-NH1 3.44Å; H48-R397 VanDerWaalsContact CD2-NH1 3.32Å; H48-R397 PolarHBondContact CD2-NH2 2.92Å; H48-R397 VanDerWaalsContact CD2-NH2 3.33Å; H48-R397 PolarHBondContact NE2-NH1 3.3Å; F393-R397 WeakPolarHBondContact O-CB 3.43Å; F393-R397 PolarHBondContact O-N 3.36Å; F393-R397 VanDerWaalsContact O-N 3.12Å; V395-R397 VanDerWaalsContact C-N 3.26Å; V395-R397 PolarHBondContact O-N 3.08Å
398F84Confident90.4Very high35 Ų3547.3 Ų47.315%0.15425%0.251CS..  trans-100.8122.9171.5-57.1-78.6000108.3N294 V297 I301 I362 C365 T396N294-F398 WeakPolarHBondContact ND2-CE1 3.29Å; V297-F398 HydrophobicContact CB-CE1 4.11Å; V297-F398 HydrophobicContact CG1-CD1 4.09Å; V297-F398 HydrophobicContact CG1-CE1 3.81Å; I301-F398 HydrophobicContact CD1-CD1 3.8Å; I362-F398 HydrophobicContact CB-CD2 4.34Å; I362-F398 HydrophobicContact CB-CE2 4.24Å; I362-F398 HydrophobicContact CD1-CD1 4.48Å; I362-F398 HydrophobicContact CD1-CG 4.38Å; I362-F398 HydrophobicContact CG1-CD1 4.07Å; I362-F398 HydrophobicContact CG1-CD2 4.19Å; I362-F398 HydrophobicContact CG1-CE1 4.1Å; I362-F398 HydrophobicContact CG1-CE2 4.22Å; I362-F398 HydrophobicContact CG1-CG 4.09Å; I362-F398 HydrophobicContact CG1-CZ 4.16Å; I362-F398 HydrophobicContact CG2-CD2 3.56Å; I362-F398 HydrophobicContact CG2-CE2 3.77Å; I362-F398 HydrophobicContact CG2-CG 4.15Å; C365-F398 HydrophobicContact CB-CE2 4.02Å; C365-F398 HydrophobicContact CB-CZ 3.73Å; C365-F398 VanDerWaalsContact SG-CZ 3.51Å; T396-F398 WeakPolarHBondContact O-CD2 3.42Å; T396-F398 WeakPolarHBondContact O-CE2 3.33Å; T396-F398 PolarHBondContact O-N 3.11Å
399S60.6Low89.7Confident151 Ų15151.6 Ų51.6100%1.05627%0.274SS*.  trans-95.30179.658.10000111.7

Retrieved 399 of 399 residues in 2597.3 ms (Link to these results)