A0A096N5G5_PAPAN Loading...

26S proteasome regulatory subunit 4

Component of the 26S proteasome, a multiprotein complex involved in the ATP-dependent degradation of ubiquitinated proteins. This complex plays a key role in the maintenance of protein homeostasis by removing misfolded or damaged proteins, which could impair cellular functions, and by removing proteins whose functions are no longer required. Therefore, the proteasome participates in numerous cellular processes, including cell cycle progression, apoptosis, or DNA damage repair. PSMC1 belongs to the heterohexameric ring of AAA (ATPases associated with diverse cellular activities) proteins that unfolds ubiquitinated target proteins that are concurrently translocated into a proteolytic chamber and degraded into peptides.

AlphaFold DB (P62192), UniProt , Accession A0A096N5G5, Species PAPAN (Papio anubis, Olive baboon), Gene PSMC1, Length 440 aa.

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

Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M46.3Very low44Very low254 Ų254139.8 Ų139.8100%1.25188%0.883SS**  0128.90-78.7176.8168.800107.9
2G51.3Low43.7Very low73 Ų73134.8 Ų134.875%0.75388%0.877SS**  trans87.876.6173.300000115.8
3Q46.1Very low43.2Very low198 Ų198131.1 Ų131.193%0.92588%0.878SS**  68.3108.285-82.2-174.53.900116.4
4S48.6Very low42.8Very low128 Ų128127.4 Ų127.490%0.89587%0.874SS**  -173.7111.9113.760.80000111.5
5Q39.4Very low42.5Very low196 Ų196132.3 Ų132.392%0.91687%0.874SS**  trans-128.2139.7170.9-126-174.38.200107.2
6S46.1Very low42.5Very low131 Ų131136.9 Ų136.992%0.91688%0.875SS**  trans159140.9153.546.40000107.9
7G41.7Very low42.5Very low78 Ų78137.3 Ų137.380%0.80487%0.869SS**  cis-166.9149.1-4.300000104
8G38.7Very low42.6Very low68 Ų68138.8 Ų138.870%0.70187%0.87SS**  95.499.250.200000109.9
9H44.3Very low42.6Very low206 Ų206141.3 Ų141.395%0.95487%0.867SS**  trans149.1132154.8-89.674.4000108.9
10G41.8Very low42.8Very low67 Ų67142.9 Ų142.969%0.69187%0.869SS**  cis175.1153.9300000106.5
11P40Very low43.1Very low139 Ų139144.9 Ų144.990%0.90387%0.866SS**  trans-100.4154.2-159.537.3-30.5000113.8
12G39.8Very low43.1Very low79 Ų79142.9 Ų142.981%0.81485%0.85SS**  trans-162.5118.3173.800000110.1
13G37.6Very low42.9Very low87 Ų87149.5 Ų149.590%0.89786%0.859SS**  trans-87.9174.9-165.100000115.4
14G37.5Very low42.6Very low79 Ų79149 Ų14981%0.81485%0.854SS**  trans160.589.6172.900000114
15K38.2Very low43Very low201 Ų201152.5 Ų152.587%0.87485%0.849SS**  trans-49.1141.4177.2-72.1168.8169.1174.10114.3
16K43Very low43.6Very low206 Ų206150.9 Ų150.990%0.89684%0.841SS**  -165.2127.3122.2-109.9173.1-179.4178.80111.7
17D42.1Very low44.2Very low144 Ų144149.4 Ų149.477%0.7783%0.828SS**  trans-61.2136.7176.5-62.3-76.7000112.6
18D45.1Very low45.1Very low165 Ų165151.3 Ų151.388%0.88283%0.826SS**  trans-155.5126.4131.5-116.3-34.7000111.2
19K41.2Very low45.8Very low186 Ų186154.4 Ų154.481%0.80983%0.831SS**  trans-97.7102.2-174.8-91175.6172.9166.50109.4K21K19-K21 PolarHBondContact O-N 2.65Å
20D47.1Very low45.8Very low173 Ų173150.4 Ų150.493%0.92582%0.823SS**  trans-90.4102.6165-98.8-40.2000111.4
21K48.7Very low45.9Very low185 Ų185154 Ų15480%0.80483%0.832SS**PPolyproline II helixtrans-74.8125.7174.5-80.7175.6173.8174.50110.6K19 K23K19-K21 PolarHBondContact O-N 2.65Å; K21-K23 PolarHBondContact O-N 2.81Å
22K46.3Very low45.8Very low211 Ų211159 Ų15992%0.91783%0.833SS**PPolyproline II helixtrans-46.2120.8166-75.1174.8173.7175.80111.8K24K22-K24 PolarHBondContact O-N 3.47Å
23K47.6Very low45.9Very low212 Ų212162.4 Ų162.492%0.92284%0.838SS**PPolyproline II helixtrans-75116.1169.6-75.1-178.5178.4176.60110K21K21-K23 PolarHBondContact O-N 2.81Å
24K40.3Very low46.2Very low189 Ų189161.8 Ų161.882%0.82283%0.831SS**PPolyproline II helixtrans-77.7128.3171.8-164.7179.3-177.2-172.40108.2K22K22-K24 PolarHBondContact O-N 3.47Å
25Y56.4Low46.1Very low201 Ų201167.9 Ų167.979%0.78884%0.836SS**PPolyproline II helixtrans-77.5129.4178.3-179.9-95.3000110.3
26E51.4Low46.3Very low162 Ų162168.5 Ų168.576%0.75784%0.838SS**  trans-121.1135.7169.5-77.4-174.6166.600109.6
27P59.1Low45.9Very low99 Ų99168.7 Ų168.764%0.64384%0.839SS**PPolyproline II helixtrans-77.8151.7-178.831.5-32.8000111.9
28P60Low45.8Very low119 Ų119172.1 Ų172.177%0.77385%0.847SS**PPolyproline II helixtrans-75.2144.6-174.929.8-32.9000113
29V53.7Low45.3Very low133 Ų133173.7 Ų173.781%0.80685%0.846SS**PPolyproline II helixtrans-72.2135.4-179.7-172.60000110.9T31V29-T31 PolarHBondContact O-N 3.26Å
30P44.4Very low45.1Very low121 Ų121171 Ų17179%0.78685%0.845SS**PPolyproline II helixtrans-82.5117.1178.331.6-30.1000110.9
31T44.8Very low44.8Very low143 Ų143172.9 Ų172.988%0.87785%0.845SS**PPolyproline II helixtrans-73.1131.3171.4390000111.7V29V29-T31 PolarHBondContact O-N 3.26Å
32R37.7Very low44.6Very low245 Ų245167.1 Ų167.193%0.92584%0.838SS**  trans-110.4106.7-174.9-162-168.4-159.4-161.37109.7
33V42.9Very low44.3Very low149 Ų149162.7 Ų162.790%0.90383%0.831SS**  trans-150.6124.2167.1-167.90000112.5
34G42.3Very low44.2Very low74 Ų74160 Ų16076%0.76383%0.827SS**  trans98.492.8131.900000120.8
35K36.9Very low44.4Very low208 Ų208155 Ų15590%0.90482%0.821SS**  trans-40.8144.6165-67.5167.5174.1172.60116.8
36K41.8Very low43.8Very low214 Ų214150.4 Ų150.493%0.9382%0.824SS**  -161.4127.9125.6-108.2174.2-174.2178.90112.8
37K33.8Very low43.7Very low210 Ų210148 Ų14891%0.91383%0.825SS**  trans-76.7144178.6-78177.1169.1179.50112.1
38K39.6Very low42.8Very low216 Ų216151.9 Ų151.994%0.93983%0.832SS**  trans-143.5142146.2-121.8179.9-179.1-178.50110.1
39K34.7Very low42.1Very low198 Ų198154.1 Ų154.186%0.86184%0.837SS**  trans-83.4163.4-161.4-66174.1169179.70113.7
40T38.1Very low41.4Very low129 Ų129152.6 Ų152.679%0.79183%0.829SS**  trans106.795.5137.6-180000119.3
41K40.4Very low41.6Very low213 Ų213154.6 Ų154.693%0.92683%0.832SS**  174.1144.8122.2-96.4-179.5174.9-176.60110
42G44.3Very low41.4Very low64 Ų64151.9 Ų151.966%0.6682%0.816SS**  trans-72.9-177.8-161.700000117.5D44G42-D44 PolarHBondContact O-N 3.02Å
43P40.5Very low41.7Very low118 Ų118145.1 Ų145.177%0.76680%0.802SS**  trans-9583.9-152.637.4-32.7000113.2A45P43-A45 PolarHBondContact O-N 3.15Å
44D44.9Very low42.1Very low156 Ų156140.5 Ų140.583%0.83478%0.775SS**THydrogen-bonded Turntrans-87.716.5165.7-74.2-34.1000112.8G42G42-D44 PolarHBondContact O-N 3.02Å
45A44.1Very low42.8Very low83 Ų83144 Ų14469%0.68677%0.771SS**THydrogen-bonded Turntrans-97.43.2-176.600000114.1P43 S47P43-A45 PolarHBondContact O-N 3.15Å; A45-S47 VanDerWaalsContact C-N 3.31Å; A45-S47 PolarHBondContact O-N 2.78Å
46A45.4Very low43.9Very low104 Ų104139.3 Ų139.386%0.8676%0.76SS**THydrogen-bonded Turntrans-80.6-6.2-177.900000114.4
47S47.8Very low45Very low112 Ų112135.9 Ų135.978%0.78375%0.747SS**THydrogen-bonded Turntrans-122.89.1-17839.10000114.3A45A45-S47 VanDerWaalsContact C-N 3.31Å; A45-S47 PolarHBondContact O-N 2.78Å
48K41.7Very low46.8Very low180 Ų180129 Ų12978%0.78373%0.725SS**SBendtrans-101.6104.9168.3-84.5-177.6176.5178.40109.9
49L43.7Very low48.5Very low167 Ų167127 Ų12787%0.87471%0.711SS**  trans-50.3129.4167.2-74.4160.6000108.9
50P40.5Very low50.6Low100 Ų100123.3 Ų123.365%0.64970%0.7SS**  trans-62.1142.3179.124.5-31.9000110.3V52P50-V52 HydrophobicContact CG-CG2 4.35Å; P50-V52 WeakPolarHBondContact O-CG2 3.4Å; P50-V52 PolarHBondContact O-N 3.48Å
51L47.2Very low52.9Low163 Ų163124.1 Ų124.185%0.85369%0.693SS**  trans-6694.7170.2-136.695.9000107.9T53L51-T53 VanDerWaalsContact C-N 3.35Å; L51-T53 PolarHBondContact O-N 3.19Å
52V40.7Very low54.9Low86 Ų86118.3 Ų118.352%0.52167%0.671SS.*  trans-7985.1-178.5-173.80000109.7P50 C58P50-V52 HydrophobicContact CG-CG2 4.35Å; P50-V52 WeakPolarHBondContact O-CG2 3.4Å; P50-V52 PolarHBondContact O-N 3.48Å; V52-C58 VanDerWaalsContact CG1-SG 3.56Å
53T45.6Very low56.8Low103 Ų103119.2 Ų119.263%0.63266%0.661SS**  trans-92.298157.648.50000107.5L51L51-T53 VanDerWaalsContact C-N 3.35Å; L51-T53 PolarHBondContact O-N 3.19Å
54P51.2Low58.8Low53 Ų53119.9 Ų119.934%0.34465%0.652SS.*  -134.5105.788.629.7-12000110.8T56 Q57 C58P54-T56 PolarHBondContact O-N 3.33Å; P54-Q57 HydrophobicContact CG-CB 4.21Å; P54-Q57 HydrophobicContact CG-CG 4.25Å; P54-Q57 PolarHBondContact O-N 3.27Å; P54-C58 PolarHBondContact O-N 3.1Å
55H56.7Low60.9Low146 Ų146117.4 Ų117.468%0.67664%0.638SS**Hα-helixtrans-51.3-25.9179.3-71.6-70.3000113.2R59H55-R59 WeakPolarHBondContact O-CA 3.16Å; H55-R59 WeakPolarHBondContact O-CB 3.45Å; H55-R59 PolarHBondContact O-N 3.34Å
56T60Low63Low111 Ų111117.6 Ų117.668%0.68163%0.625SS**Hα-helixtrans-68.9-39.9177.646.80000113.7P54 L60P54-T56 PolarHBondContact O-N 3.33Å; T56-L60 WeakPolarHBondContact O-CB 3.45Å; T56-L60 PolarHBondContact O-N 3.11Å
57Q64.8Low65Low142 Ų142120 Ų12066%0.66461%0.611SS**Hα-helixtrans-76.6-39.8179.7-68.4-171-5.500112P54 L60 K61P54-Q57 HydrophobicContact CG-CB 4.21Å; P54-Q57 HydrophobicContact CG-CG 4.25Å; P54-Q57 PolarHBondContact O-N 3.27Å; Q57-L60 PolarHBondContact O-N 3.39Å; Q57-K61 WeakPolarHBondContact O-CB 3.42Å; Q57-K61 PolarHBondContact O-N 2.92Å
58C71Confident67Low64 Ų64118.4 Ų118.443%0.43259%0.593SS.*Hα-helixtrans-67.8-42.6175.6-64.30000111.5V52 P54 K61 L62V52-C58 VanDerWaalsContact CG1-SG 3.56Å; P54-C58 PolarHBondContact O-N 3.1Å; C58-K61 PolarHBondContact O-N 3.21Å; C58-L62 WeakPolarHBondContact O-CB 3.48Å; C58-L62 PolarHBondContact O-N 3.36Å
59R74.4Confident69.4Low174 Ų174116.2 Ų116.266%0.65758%0.584SS**Hα-helixtrans-66.2-38.6174.2-172.2175.4-178177.11.1111.7H55 K61 L62 L63H55-R59 WeakPolarHBondContact O-CA 3.16Å; H55-R59 WeakPolarHBondContact O-CB 3.45Å; H55-R59 PolarHBondContact O-N 3.34Å; R59-K61 VanDerWaalsContact C-N 3.33Å; R59-K61 PolarHBondContact O-N 3.12Å; R59-L62 PolarHBondContact O-N 3.33Å; R59-L63 HydrophobicContact CG-CD1 4.02Å; R59-L63 HydrophobicContact CG-CG 4.28Å; R59-L63 VanDerWaalsContact O-CB 3.32Å; R59-L63 WeakPolarHBondContact O-CB 3.42Å; R59-L63 VanDerWaalsContact O-CG 3.26Å; R59-L63 WeakPolarHBondContact O-CG 3.38Å; R59-L63 PolarHBondContact O-N 3.48Å
60L79.2Confident71.6Confident121 Ų121112.7 Ų112.763%0.63457%0.566SS**Hα-helixtrans-63.9-39.1174-174.270.6000111.6T56 Q57 K64T56-L60 WeakPolarHBondContact O-CB 3.45Å; T56-L60 PolarHBondContact O-N 3.11Å; Q57-L60 PolarHBondContact O-N 3.39Å; L60-K64 WeakPolarHBondContact O-CB 3.47Å; L60-K64 PolarHBondContact O-N 2.92Å
61K86.1Confident74.1Confident147 Ų147115 Ų11564%0.63956%0.563SS**Hα-helixtrans-63.8-46.3174.7-174.2-178.7178.5-175.10111.4Q57 C58 R59 K64 L65Q57-K61 WeakPolarHBondContact O-CB 3.42Å; Q57-K61 PolarHBondContact O-N 2.92Å; C58-K61 PolarHBondContact O-N 3.21Å; R59-K61 VanDerWaalsContact C-N 3.33Å; R59-K61 PolarHBondContact O-N 3.12Å; K61-K64 PolarHBondContact O-N 3.29Å; K61-L65 HydrophobicContact CG-CD1 4.29Å; K61-L65 WeakPolarHBondContact O-CG 3.49Å; K61-L65 PolarHBondContact O-N 2.79Å
62L84Confident76.2Confident90 Ų90111.9 Ų111.947%0.47155%0.546SS..Hα-helixtrans-60.8-53.1176.5178.7133.3000111.1C58 R59 K64 L65 E66C58-L62 WeakPolarHBondContact O-CB 3.48Å; C58-L62 PolarHBondContact O-N 3.36Å; R59-L62 PolarHBondContact O-N 3.33Å; L62-K64 VanDerWaalsContact C-N 3.25Å; L62-K64 PolarHBondContact O-N 2.97Å; L62-L65 PolarHBondContact O-N 2.92Å; L62-E66 VanDerWaalsContact CD2-CD 3.42Å; L62-E66 HydrophobicContact CD2-CG 4.45Å; L62-E66 VanDerWaalsContact CD2-OE1 3.28Å; L62-E66 WeakPolarHBondContact CD2-OE1 3.16Å; L62-E66 VanDerWaalsContact CD2-OE2 3.24Å; L62-E66 WeakPolarHBondContact CD2-OE2 3.2Å; L62-E66 HydrophobicContact CG-CG 4.36Å; L62-E66 WeakPolarHBondContact O-CB 3.29Å; L62-E66 WeakPolarHBondContact O-CG 3.35Å; L62-E66 PolarHBondContact O-N 3.25Å
63L83.3Confident78.7Confident84 Ų84112 Ų11244%0.4454%0.544SS..Hα-helixtrans-58.6-35.4176.3-72.8172.7000112.6R59 R67R59-L63 HydrophobicContact CG-CD1 4.02Å; R59-L63 HydrophobicContact CG-CG 4.28Å; R59-L63 VanDerWaalsContact O-CB 3.32Å; R59-L63 WeakPolarHBondContact O-CB 3.42Å; R59-L63 VanDerWaalsContact O-CG 3.26Å; R59-L63 WeakPolarHBondContact O-CG 3.38Å; R59-L63 PolarHBondContact O-N 3.48Å; L63-R67 WeakPolarHBondContact O-CB 3.45Å; L63-R67 PolarHBondContact O-N 3.05Å
64K83.6Confident80.8Confident131 Ų131113 Ų11357%0.5754%0.543SS*.Hα-helixtrans-67.4-42176.1-174.3178.4179.5-176.80111.4L60 K61 L62 I68L60-K64 WeakPolarHBondContact O-CB 3.47Å; L60-K64 PolarHBondContact O-N 2.92Å; K61-K64 PolarHBondContact O-N 3.29Å; L62-K64 VanDerWaalsContact C-N 3.25Å; L62-K64 PolarHBondContact O-N 2.97Å; K64-I68 HydrophobicContact CG-CD1 4.06Å; K64-I68 VanDerWaalsContact O-CD1 3.3Å; K64-I68 WeakPolarHBondContact O-CD1 3.48Å; K64-I68 WeakPolarHBondContact O-CG1 3.36Å; K64-I68 PolarHBondContact O-N 3.24Å
65L88.3Confident82.8Confident105 Ų105116 Ų11655%0.5555%0.552SS.*Hα-helixtrans-70.7-47.5178.7-71.3171.6000111.7K61 L62 I68 K69K61-L65 HydrophobicContact CG-CD1 4.29Å; K61-L65 WeakPolarHBondContact O-CG 3.49Å; K61-L65 PolarHBondContact O-N 2.79Å; L62-L65 PolarHBondContact O-N 2.92Å; L65-I68 PolarHBondContact O-N 3.02Å; L65-K69 WeakPolarHBondContact O-CB 3.33Å; L65-K69 PolarHBondContact O-N 3.29Å
66E88.9Confident84.5Confident87 Ų87113.7 Ų113.741%0.40754%0.541SS..Hα-helixtrans-57.6-51.2176.1-74.1175.4167.800110.5L62 I68 K69 D70L62-E66 VanDerWaalsContact CD2-CD 3.42Å; L62-E66 HydrophobicContact CD2-CG 4.45Å; L62-E66 VanDerWaalsContact CD2-OE1 3.28Å; L62-E66 WeakPolarHBondContact CD2-OE1 3.16Å; L62-E66 VanDerWaalsContact CD2-OE2 3.24Å; L62-E66 WeakPolarHBondContact CD2-OE2 3.2Å; L62-E66 HydrophobicContact CG-CG 4.36Å; L62-E66 WeakPolarHBondContact O-CB 3.29Å; L62-E66 WeakPolarHBondContact O-CG 3.35Å; L62-E66 PolarHBondContact O-N 3.25Å; E66-I68 VanDerWaalsContact C-N 3.31Å; E66-I68 PolarHBondContact O-N 3.45Å; E66-K69 PolarHBondContact O-N 3.05Å; E66-K69 VanDerWaalsContact O-N 3.11Å; E66-D70 WeakPolarHBondContact O-CB 2.92Å; E66-D70 PolarHBondContact O-N 3.33Å
67R86.6Confident85.9Confident154 Ų154114.3 Ų114.358%0.58154%0.537SS*.Hα-helixtrans-58.7-41.4179.3-170.5-178.375.4168.45.6112.8L63 Y71L63-R67 WeakPolarHBondContact O-CB 3.45Å; L63-R67 PolarHBondContact O-N 3.05Å; R67-Y71 HydrophobicContact CG-CD2 3.53Å; R67-Y71 HydrophobicContact CG-CE2 3.26Å; R67-Y71 WeakPolarHBondContact O-CB 3.45Å; R67-Y71 WeakPolarHBondContact O-CD2 3.46Å; R67-Y71 PolarHBondContact O-N 3.23Å; R67-Y71 VanDerWaalsContact O-N 3.13Å
68I90.1Very high87.1Confident78 Ų78113.5 Ų113.540%0.453%0.531SS..Hα-helixtrans-66.2-45.8177.3-69.8165.7000110.2K64 L65 E66 L72K64-I68 HydrophobicContact CG-CD1 4.06Å; K64-I68 VanDerWaalsContact O-CD1 3.3Å; K64-I68 WeakPolarHBondContact O-CD1 3.48Å; K64-I68 WeakPolarHBondContact O-CG1 3.36Å; K64-I68 PolarHBondContact O-N 3.24Å; L65-I68 PolarHBondContact O-N 3.02Å; E66-I68 VanDerWaalsContact C-N 3.31Å; E66-I68 PolarHBondContact O-N 3.45Å; I68-L72 HydrophobicContact CG2-CD1 3.68Å; I68-L72 HydrophobicContact CG2-CG 4.41Å; I68-L72 WeakPolarHBondContact O-CB 3.36Å; I68-L72 WeakPolarHBondContact O-CD1 3.45Å; I68-L72 WeakPolarHBondContact O-CG 2.93Å; I68-L72 PolarHBondContact O-N 2.91Å
69K91.8Very high87.9Confident135 Ų135113.8 Ų113.859%0.58753%0.528SS*.Hα-helixtrans-61.1-48.7178.8177.6-177.8173.3-169.30111.6L65 E66 L72 L73L65-K69 WeakPolarHBondContact O-CB 3.33Å; L65-K69 PolarHBondContact O-N 3.29Å; E66-K69 PolarHBondContact O-N 3.05Å; E66-K69 VanDerWaalsContact O-N 3.11Å; K69-L72 PolarHBondContact O-N 3.25Å; K69-L73 HydrophobicContact CD-CD1 4.42Å; K69-L73 HydrophobicContact CG-CD1 3.77Å; K69-L73 WeakPolarHBondContact O-CB 3.47Å; K69-L73 PolarHBondContact O-N 3.41Å
70D90.6Very high88.6Confident92 Ų92111.9 Ų111.949%0.49252%0.521SS..Hα-helixtrans-66.6-42.1-175.8-65.2-15.2000111.7E66 M74E66-D70 WeakPolarHBondContact O-CB 2.92Å; E66-D70 PolarHBondContact O-N 3.33Å; D70-M74 WeakPolarHBondContact O-CB 3.49Å; D70-M74 PolarHBondContact O-N 3.3Å
71Y91.3Very high88.9Confident149 Ų149110.1 Ų110.158%0.58451%0.512SS*.Hα-helixtrans-67.2-39.7175.3-77.1-55.1000112.5R67 M74 E75R67-Y71 HydrophobicContact CG-CD2 3.53Å; R67-Y71 HydrophobicContact CG-CE2 3.26Å; R67-Y71 WeakPolarHBondContact O-CB 3.45Å; R67-Y71 WeakPolarHBondContact O-CD2 3.46Å; R67-Y71 PolarHBondContact O-N 3.23Å; R67-Y71 VanDerWaalsContact O-N 3.13Å; Y71-M74 PolarHBondContact O-N 3.43Å; Y71-E75 WeakPolarHBondContact O-CB 3.44Å; Y71-E75 PolarHBondContact O-N 3.43Å
72L92.9Very high88.7Confident98 Ų98108.2 Ų108.251%0.51351%0.505SS..Hα-helixtrans-64.5-43.4176.5-76.3170.3000111.7I68 K69 E75 E76I68-L72 HydrophobicContact CG2-CD1 3.68Å; I68-L72 HydrophobicContact CG2-CG 4.41Å; I68-L72 WeakPolarHBondContact O-CB 3.36Å; I68-L72 WeakPolarHBondContact O-CD1 3.45Å; I68-L72 WeakPolarHBondContact O-CG 2.93Å; I68-L72 PolarHBondContact O-N 2.91Å; K69-L72 PolarHBondContact O-N 3.25Å; L72-E75 PolarHBondContact O-N 3.27Å; L72-E76 VanDerWaalsContact O-CB 3.28Å; L72-E76 WeakPolarHBondContact O-CB 3.43Å; L72-E76 PolarHBondContact O-N 3.39Å
73L93.2Very high88.6Confident89 Ų89108.8 Ų108.847%0.46651%0.505SS..Hα-helixtrans-60.7-44.6175.4-87.7155.9000111.8K69 E75 E76 E77K69-L73 HydrophobicContact CD-CD1 4.42Å; K69-L73 HydrophobicContact CG-CD1 3.77Å; K69-L73 WeakPolarHBondContact O-CB 3.47Å; K69-L73 PolarHBondContact O-N 3.41Å; L73-E75 PolarHBondContact O-N 3.36Å; L73-E76 PolarHBondContact O-N 2.9Å; L73-E77 WeakPolarHBondContact O-CB 3.44Å; L73-E77 PolarHBondContact O-N 3.45Å
74M89.1Confident88.1Confident124 Ų124110.9 Ų110.961%0.61151%0.513SS*.Hα-helixtrans-62.4-42.5177.4-176.3-175-64.600112D70 Y71 F78D70-M74 WeakPolarHBondContact O-CB 3.49Å; D70-M74 PolarHBondContact O-N 3.3Å; Y71-M74 PolarHBondContact O-N 3.43Å; M74-F78 WeakPolarHBondContact O-CB 3.47Å; M74-F78 PolarHBondContact O-N 3.12Å
75E92Very high87.2Confident116 Ų116112.5 Ų112.554%0.54252%0.524SS..Hα-helixtrans-67.7-42.7176.8-172.1175.7-166.400111.5Y71 L72 L73 F78 I79Y71-E75 WeakPolarHBondContact O-CB 3.44Å; Y71-E75 PolarHBondContact O-N 3.43Å; L72-E75 PolarHBondContact O-N 3.27Å; L73-E75 PolarHBondContact O-N 3.36Å; E75-F78 PolarHBondContact O-N 2.88Å; E75-I79 HydrophobicContact CG-CD1 3.96Å; E75-I79 VanDerWaalsContact O-CG1 3.29Å; E75-I79 WeakPolarHBondContact O-CG1 3.3Å; E75-I79 PolarHBondContact O-N 3.04Å
76E92.3Very high86.2Confident96 Ų96113.4 Ų113.445%0.44952%0.524SS..Hα-helixtrans-61.4-45.6176.8-170.9-174.5164.700111.6L72 L73 F78 I79 R80L72-E76 VanDerWaalsContact O-CB 3.28Å; L72-E76 WeakPolarHBondContact O-CB 3.43Å; L72-E76 PolarHBondContact O-N 3.39Å; L73-E76 PolarHBondContact O-N 2.9Å; E76-F78 VanDerWaalsContact C-N 3.34Å; E76-F78 PolarHBondContact O-N 2.96Å; E76-I79 PolarHBondContact O-N 3.27Å; E76-R80 WeakPolarHBondContact O-CB 3.16Å; E76-R80 PolarHBondContact O-N 3.39Å; E76-R80 IonicContact OE1-CZ 2.93Å; E76-R80 IonicContact OE1-NH2 3.7Å; E76-R80 PolarHBondContact OE1-NH2 3.42Å
77E90.1Very high84.9Confident125 Ų125115.1 Ų115.158%0.58454%0.543SS*.Hα-helixtrans-63.7-40.9177.2-171175.9-174.800111.5L73 R80 N81L73-E77 WeakPolarHBondContact O-CB 3.44Å; L73-E77 PolarHBondContact O-N 3.45Å; E77-R80 PolarHBondContact O-N 3.32Å; E77-N81 WeakPolarHBondContact O-CB 3.44Å; E77-N81 VanDerWaalsContact O-CG 3.24Å; E77-N81 PolarHBondContact O-N 3.41Å; E77-N81 PolarHBondContact O-ND2 2.96Å
78F90Very high83.7Confident125 Ų125112.1 Ų112.155%0.54854%0.538SS..Hα-helixtrans-63-46.5175.5-178-97.9000112.3M74 E75 E76 N81 Q82M74-F78 WeakPolarHBondContact O-CB 3.47Å; M74-F78 PolarHBondContact O-N 3.12Å; E75-F78 PolarHBondContact O-N 2.88Å; E76-F78 VanDerWaalsContact C-N 3.34Å; E76-F78 PolarHBondContact O-N 2.96Å; F78-N81 PolarHBondContact O-N 3.03Å; F78-Q82 HydrophobicContact CE1-CG 4.28Å; F78-Q82 HydrophobicContact CZ-CG 4.47Å; F78-Q82 PolarHBondContact O-N 2.87Å
79I89.2Confident82.5Confident70 Ų70115 Ų11536%0.35955%0.549SS..Hα-helixtrans-63.6-45176.6-68168.1000110E75 E76 N81 Q82 E83E75-I79 HydrophobicContact CG-CD1 3.96Å; E75-I79 VanDerWaalsContact O-CG1 3.29Å; E75-I79 WeakPolarHBondContact O-CG1 3.3Å; E75-I79 PolarHBondContact O-N 3.04Å; E76-I79 PolarHBondContact O-N 3.27Å; I79-N81 VanDerWaalsContact C-N 3.31Å; I79-N81 PolarHBondContact O-N 2.65Å; I79-Q82 CarbonylContact O-C 3.59Å; I79-Q82 WeakPolarHBondContact O-CB 3.5Å; I79-Q82 PolarHBondContact O-N 3.09Å; I79-E83 HydrophobicContact CG2-CG 4.07Å; I79-E83 WeakPolarHBondContact O-CB 3.3Å; I79-E83 WeakPolarHBondContact O-CG 3.4Å; I79-E83 PolarHBondContact O-N 3.42Å
80R87.7Confident81.2Confident134 Ų134116.1 Ų116.151%0.50656%0.557SS.*Hα-helixtrans-59.1-42.6179-167.1-177.8-67-176.9-0.5111.5E76 E77 E83 Q84E76-R80 WeakPolarHBondContact O-CB 3.16Å; E76-R80 PolarHBondContact O-N 3.39Å; E76-R80 IonicContact OE1-CZ 2.93Å; E76-R80 IonicContact OE1-NH2 3.7Å; E76-R80 PolarHBondContact OE1-NH2 3.42Å; E77-R80 PolarHBondContact O-N 3.32Å; R80-E83 PolarHBondContact O-N 3.09Å; R80-Q84 WeakPolarHBondContact O-CB 3.13Å; R80-Q84 WeakPolarHBondContact O-CG 3.29Å; R80-Q84 PolarHBondContact O-N 3.28Å
81N86Confident80.2Confident83 Ų83118 Ų11844%0.44456%0.561SS.*Hα-helixtrans-64.3-39.8174.3-72.2-22.4000112E77 F78 I79 M85E77-N81 WeakPolarHBondContact O-CB 3.44Å; E77-N81 VanDerWaalsContact O-CG 3.24Å; E77-N81 PolarHBondContact O-N 3.41Å; E77-N81 PolarHBondContact O-ND2 2.96Å; F78-N81 PolarHBondContact O-N 3.03Å; I79-N81 VanDerWaalsContact C-N 3.31Å; I79-N81 PolarHBondContact O-N 2.65Å; N81-M85 VanDerWaalsContact O-CG 3.24Å; N81-M85 WeakPolarHBondContact O-CG 3.29Å; N81-M85 PolarHBondContact O-N 3.45Å
82Q82.1Confident79.4Confident108 Ų108115.4 Ų115.451%0.50555%0.554SS.*Hα-helixtrans-68-36.4174.2-74-166.6-7.300113.1F78 I79 M85 K86F78-Q82 HydrophobicContact CE1-CG 4.28Å; F78-Q82 HydrophobicContact CZ-CG 4.47Å; F78-Q82 PolarHBondContact O-N 2.87Å; I79-Q82 CarbonylContact O-C 3.59Å; I79-Q82 WeakPolarHBondContact O-CB 3.5Å; I79-Q82 PolarHBondContact O-N 3.09Å; Q82-M85 CarbonylContact O-C 3.51Å; Q82-M85 PolarHBondContact O-N 3.43Å; Q82-K86 PolarHBondContact O-N 3.13Å
83E81.1Confident78.5Confident102 Ų102117.2 Ų117.248%0.47756%0.56SS.*Hα-helixtrans-72.7-36.2178.8-73-171.7154.400112.5I79 R80 M85 K86I79-E83 HydrophobicContact CG2-CG 4.07Å; I79-E83 WeakPolarHBondContact O-CB 3.3Å; I79-E83 WeakPolarHBondContact O-CG 3.4Å; I79-E83 PolarHBondContact O-N 3.42Å; R80-E83 PolarHBondContact O-N 3.09Å; E83-M85 PolarHBondContact O-N 2.99Å; E83-K86 HydrophobicContact CG-CD 4.37Å; E83-K86 WeakPolarHBondContact O-CB 3.41Å; E83-K86 PolarHBondContact O-N 3.4Å; E83-K86 VanDerWaalsContact O-N 3.09Å; E83-K86 IonicContact OE1-NZ 3.45Å
84Q72.6Confident77.8Confident128 Ų128118.1 Ų118.160%0.59856%0.561SS**Hα-helixtrans-63.8-27.3170-74.6-178.62.100112.6R80R80-Q84 WeakPolarHBondContact O-CB 3.13Å; R80-Q84 WeakPolarHBondContact O-CG 3.29Å; R80-Q84 PolarHBondContact O-N 3.28Å
85M65.2Low77.4Confident165 Ų165116.9 Ų116.981%0.81355%0.554SS**THydrogen-bonded Turntrans-85.8-12173.8-66.6-65.1-65.200113.3N81 Q82 E83N81-M85 VanDerWaalsContact O-CG 3.24Å; N81-M85 WeakPolarHBondContact O-CG 3.29Å; N81-M85 PolarHBondContact O-N 3.45Å; Q82-M85 CarbonylContact O-C 3.51Å; Q82-M85 PolarHBondContact O-N 3.43Å; E83-M85 PolarHBondContact O-N 2.99Å
86K68.2Low76.8Confident123 Ų123120 Ų12054%0.53556%0.561SS.*SBendtrans-63.3145165.6-71.8175.6-175.6164.30106.8Q82 E83 L88Q82-K86 PolarHBondContact O-N 3.13Å; E83-K86 HydrophobicContact CG-CD 4.37Å; E83-K86 WeakPolarHBondContact O-CB 3.41Å; E83-K86 PolarHBondContact O-N 3.4Å; E83-K86 VanDerWaalsContact O-N 3.09Å; E83-K86 IonicContact OE1-NZ 3.45Å; K86-L88 VanDerWaalsContact C-N 3.31Å; K86-L88 PolarHBondContact O-N 3.01Å
87P61.8Low76.3Confident124 Ų124118.4 Ų118.481%0.80556%0.561SS**  trans-62.694.3-172.75.7-1.9000109.7E89P87-E89 PolarHBondContact O-N 3.48Å
88L60.9Low75.9Confident91 Ų91118.1 Ų118.148%0.47656%0.557SS.*  trans-62.7124.3154.6-100.3101000105.1K86K86-L88 VanDerWaalsContact C-N 3.31Å; K86-L88 PolarHBondContact O-N 3.01Å
89E64Low75.4Confident137 Ų137114.1 Ų114.164%0.6454%0.543SS*.  trans-5.2124.2179.6-61.7178.5163.100114.4P87 K91 Q92P87-E89 PolarHBondContact O-N 3.48Å; E89-K91 HydrophobicContact CB-CB 4.42Å; E89-K91 CarbonylContact O-C 3.6Å; E89-K91 PolarHBondContact O-N 3.06Å; E89-Q92 PolarHBondContact O-N 3.38Å
90E65.9Low75.1Confident160 Ų160114.5 Ų114.575%0.74855%0.546SS*.Hα-helixtrans-39.7-31.3174.5-66.8174.7156.900112.8E93 E94E90-E93 PolarHBondContact O-N 3.01Å; E90-E94 WeakPolarHBondContact O-CB 3.19Å; E90-E94 VanDerWaalsContact O-CG 3.3Å; E90-E94 WeakPolarHBondContact O-CG 3.11Å; E90-E94 PolarHBondContact O-N 2.97Å
91K69.1Low74.8Confident131 Ų131114.3 Ų114.357%0.5756%0.555SS**Hα-helixtrans-58-43.4173-165.3179.3176.9-170.10115.5E89 E94 E95E89-K91 HydrophobicContact CB-CB 4.42Å; E89-K91 CarbonylContact O-C 3.6Å; E89-K91 PolarHBondContact O-N 3.06Å; K91-E94 PolarHBondContact O-N 2.95Å; K91-E95 WeakPolarHBondContact CE-OE1 3.34Å; K91-E95 WeakPolarHBondContact O-CB 3.5Å; K91-E95 VanDerWaalsContact O-CG 3.31Å; K91-E95 WeakPolarHBondContact O-CG 3.11Å; K91-E95 PolarHBondContact O-N 2.63Å
92Q74.2Confident74.5Confident94 Ų94114.7 Ų114.744%0.43956%0.556SS.*Hα-helixtrans-72-35.9177.6-72.9-170.4700111.8E89 E95 R96E89-Q92 PolarHBondContact O-N 3.38Å; Q92-E95 PolarHBondContact O-N 3.08Å; Q92-R96 VanDerWaalsContact O-CB 3.25Å; Q92-R96 WeakPolarHBondContact O-CB 3.41Å; Q92-R96 PolarHBondContact O-N 3.43Å
93E74.5Confident74.3Confident137 Ų137114.6 Ų114.664%0.6455%0.551SS**Hα-helixtrans-66.9-40.6174.2-167.3167-163.500110.8E90 R96 S97E90-E93 PolarHBondContact O-N 3.01Å; E93-R96 PolarHBondContact O-N 3.32Å; E93-S97 VanDerWaalsContact O-CB 3.26Å; E93-S97 WeakPolarHBondContact O-CB 3.14Å; E93-S97 PolarHBondContact O-N 2.68Å
94E78.8Confident74.1Confident107 Ų107110.5 Ų110.550%0.554%0.537SS..Hα-helixtrans-61.7-44.3171-79.4-176-16600112.7E90 K91 S97 K98E90-E94 WeakPolarHBondContact O-CB 3.19Å; E90-E94 VanDerWaalsContact O-CG 3.3Å; E90-E94 WeakPolarHBondContact O-CG 3.11Å; E90-E94 PolarHBondContact O-N 2.97Å; K91-E94 PolarHBondContact O-N 2.95Å; E94-S97 PolarHBondContact O-N 2.75Å; E94-K98 WeakPolarHBondContact O-CB 3.41Å; E94-K98 VanDerWaalsContact O-CG 3.26Å; E94-K98 WeakPolarHBondContact O-CG 3.39Å; E94-K98 PolarHBondContact O-N 3.38Å; E94-K98 IonicContact OE2-NZ 3.55Å
95E80.5Confident74.6Confident99 Ų99110.7 Ų110.746%0.46355%0.547SS..Hα-helixtrans-64.5-43.1177-78174.7-172.200111.3K91 Q92 K98 V99K91-E95 WeakPolarHBondContact CE-OE1 3.34Å; K91-E95 WeakPolarHBondContact O-CB 3.5Å; K91-E95 VanDerWaalsContact O-CG 3.31Å; K91-E95 WeakPolarHBondContact O-CG 3.11Å; K91-E95 PolarHBondContact O-N 2.63Å; Q92-E95 PolarHBondContact O-N 3.08Å; E95-K98 PolarHBondContact O-N 3.25Å; E95-V99 WeakPolarHBondContact O-CG2 3.35Å; E95-V99 PolarHBondContact O-N 3.2Å
96R79.1Confident75.5Confident181 Ų181107 Ų10768%0.68354%0.535SS*.Hα-helixtrans-63.4-43.7176.3-173.7176.8179.6179.12.7111.9Q92 E93 V99 D100Q92-R96 VanDerWaalsContact O-CB 3.25Å; Q92-R96 WeakPolarHBondContact O-CB 3.41Å; Q92-R96 PolarHBondContact O-N 3.43Å; E93-R96 PolarHBondContact O-N 3.32Å; R96-V99 PolarHBondContact O-N 3.45Å; R96-D100 WeakPolarHBondContact O-CB 3.39Å; R96-D100 PolarHBondContact O-N 3.41Å
97S82Confident76.3Confident63 Ų63104.4 Ų104.444%0.44153%0.526SS..Hα-helixtrans-60.1-45.9175.4-176.50000111.5E93 E94 V99 D100 D101E93-S97 VanDerWaalsContact O-CB 3.26Å; E93-S97 WeakPolarHBondContact O-CB 3.14Å; E93-S97 PolarHBondContact O-N 2.68Å; E94-S97 PolarHBondContact O-N 2.75Å; S97-V99 VanDerWaalsContact C-N 3.32Å; S97-V99 PolarHBondContact O-N 3.38Å; S97-D100 PolarHBondContact O-N 3.3Å; S97-D101 WeakPolarHBondContact O-CB 3.43Å; S97-D101 PolarHBondContact O-N 3.13Å
98K81.9Confident77.4Confident119 Ų119101 Ų10152%0.51751%0.505SS..Hα-helixtrans-60.6-39.9175-73166.3-172.1158.60112.4E94 E95 L102E94-K98 WeakPolarHBondContact O-CB 3.41Å; E94-K98 VanDerWaalsContact O-CG 3.26Å; E94-K98 WeakPolarHBondContact O-CG 3.39Å; E94-K98 PolarHBondContact O-N 3.38Å; E94-K98 IonicContact OE2-NZ 3.55Å; E95-K98 PolarHBondContact O-N 3.25Å; K98-L102 VanDerWaalsContact O-CG 3.31Å; K98-L102 WeakPolarHBondContact O-CG 3.48Å; K98-L102 PolarHBondContact O-N 2.88Å; K98-L102 VanDerWaalsContact O-N 3.15Å
99V79.6Confident78.7Confident41 Ų41100 Ų10025%0.24850%0.502CS..Hα-helixtrans-64.9-50.8175.4170.60000109.8E95 R96 S97 D101 L102 R103E95-V99 WeakPolarHBondContact O-CG2 3.35Å; E95-V99 PolarHBondContact O-N 3.2Å; R96-V99 PolarHBondContact O-N 3.45Å; S97-V99 VanDerWaalsContact C-N 3.32Å; S97-V99 PolarHBondContact O-N 3.38Å; V99-D101 VanDerWaalsContact C-N 3.27Å; V99-D101 PolarHBondContact O-N 3.26Å; V99-L102 CarbonylContact O-C 3.45Å; V99-L102 WeakPolarHBondContact O-CA 3.39Å; V99-L102 WeakPolarHBondContact O-CB 3.32Å; V99-L102 PolarHBondContact O-N 3.3Å; V99-R103 HydrophobicContact CG1-CG 4.07Å; V99-R103 VanDerWaalsContact O-CG 3.27Å; V99-R103 WeakPolarHBondContact O-CG 3.41Å; V99-R103 PolarHBondContact O-N 3.46Å
100D81.6Confident79.9Confident78 Ų7893.6 Ų93.642%0.41747%0.473SS..Hα-helixtrans-60.4-36.2-178.5-72.9-22.4000112.5R96 S97 R103 G104R96-D100 WeakPolarHBondContact O-CB 3.39Å; R96-D100 PolarHBondContact O-N 3.41Å; S97-D100 PolarHBondContact O-N 3.3Å; D100-R103 PolarHBondContact O-N 3.17Å; D100-G104 PolarHBondContact O-N 3.18Å; D100-G104 VanDerWaalsContact O-N 3.09Å
101D81.6Confident81Confident129 Ų12988.9 Ų88.969%0.6946%0.455SS*.Hα-helixtrans-63.1-42171.8-77.3-21.2000112.4S97 V99S97-D101 WeakPolarHBondContact O-CB 3.43Å; S97-D101 PolarHBondContact O-N 3.13Å; V99-D101 VanDerWaalsContact C-N 3.27Å; V99-D101 PolarHBondContact O-N 3.26Å
102L79.8Confident81.9Confident92 Ų9282.7 Ų82.748%0.48243%0.429SS..Hα-helixtrans-70.2-32.6175.7-72171.5000112.6K98 V99 F138 N153K98-L102 VanDerWaalsContact O-CG 3.31Å; K98-L102 WeakPolarHBondContact O-CG 3.48Å; K98-L102 PolarHBondContact O-N 2.88Å; K98-L102 VanDerWaalsContact O-N 3.15Å; V99-L102 CarbonylContact O-C 3.45Å; V99-L102 WeakPolarHBondContact O-CA 3.39Å; V99-L102 WeakPolarHBondContact O-CB 3.32Å; V99-L102 PolarHBondContact O-N 3.3Å; L102-F138 HydrophobicContact CB-CE1 4.45Å; L102-F138 HydrophobicContact CD1-CE1 4.33Å; L102-N153 PolarHBondContact O-ND2 2.91Å
103R78Confident82.6Confident105 Ų10582.6 Ų82.640%0.39643%0.428SS..Hα-helixtrans-64.2-47.7176.6-66.5-168.3168.3170.8-5110V99 D100 M107 N153 I160V99-R103 HydrophobicContact CG1-CG 4.07Å; V99-R103 VanDerWaalsContact O-CG 3.27Å; V99-R103 WeakPolarHBondContact O-CG 3.41Å; V99-R103 PolarHBondContact O-N 3.46Å; D100-R103 PolarHBondContact O-N 3.17Å; R103-M107 HydrophobicContact CB-CE 4.42Å; R103-N153 PolarHBondContact O-ND2 3.21Å; R103-I160 HydrophobicContact CB-CD1 4.49Å; R103-I160 HydrophobicContact CB-CG2 4.02Å; R103-I160 HydrophobicContact CG-CG2 3.5Å; R103-I160 VanDerWaalsContact CG-CG2 3.5Å; R103-I160 WeakPolarHBondContact O-CD1 3.29Å
104G76.2Confident83.4Confident17 Ų1781.6 Ų81.618%0.17542%0.424CS..  trans63.2151.5-174.300000112.4D100D100-G104 PolarHBondContact O-N 3.18Å; D100-G104 VanDerWaalsContact O-N 3.09Å
105T83.1Confident83.8Confident131 Ų13179.6 Ų79.680%0.80442%0.416SS*.SBendtrans-121.6130174.148.30000108H154T105-H154 PolarHBondContact O-CE1 3.3Å; T105-H154 VanDerWaalsContact O-CE1 3.24Å
106P84.7Confident84.2Confident87 Ų8779 Ų7957%0.56541%0.414SS*.SBendcis-811574.333.7-36.3000114.5H154P106-H154 HydrophobicContact CG-CB 4.45Å; P106-H154 PolarHBondContact O-ND1 2.93Å
107M84.3Confident84.5Confident70 Ų7073.4 Ų73.435%0.34540%0.398SS..EExtended strand (participates in β ladder)trans-94.9137168.3-55.6174.488.900108.6R103 L151 I160R103-M107 HydrophobicContact CB-CE 4.42Å; M107-L151 HydrophobicContact CE-CB 3.73Å; M107-L151 HydrophobicContact CE-CD1 3.66Å; M107-L151 HydrophobicContact CE-CG 4.26Å; M107-L151 HydrophobicContact SD-CD1 4.32Å; M107-I160 HydrophobicContact CE-CB 3.98Å; M107-I160 HydrophobicContact CE-CD1 3.97Å; M107-I160 HydrophobicContact CE-CG2 3.61Å
108S86.5Confident84.5Confident51 Ų5176 Ų7636%0.35741%0.407SS..EExtended strand (participates in β ladder)trans-97.9147.3174.2-59.60000109.8L152S108-L152 PolarHBondContact N-O 2.6Å; S108-L152 PolarHBondContact O-N 3.31Å
109V88.4Confident84.8Confident71 Ų7174.7 Ų74.743%0.4341%0.406SS..EExtended strand (participates in β ladder)trans-96.5133.5173.8-175.40000108.5L151V109-L151 HydrophobicContact CG2-CD2 4.18Å
110G88.2Confident85.3Confident3 Ų375.4 Ų75.43%0.03141%0.406CS..EExtended strand (participates in β ladder)trans-135.4162.2170.600000110.9S124 S149 V150G110-S124 CarbonylContact C-O 3.55Å; G110-S124 WeakPolarHBondContact CA-O 3.23Å; G110-S149 CarbonylContact O-C 3.56Å; G110-S149 VanDerWaalsContact O-CA 3.31Å; G110-S149 WeakPolarHBondContact O-CA 3.46Å; G110-V150 PolarHBondContact N-O 2.8Å; G110-V150 WeakPolarHBondContact O-CG2 3.26Å; G110-V150 PolarHBondContact O-N 3.16Å
111T88.9Confident85.7Confident60 Ų6071.7 Ų71.737%0.36839%0.386SS..EExtended strand (participates in β ladder)trans-98.9130174.4390000109E113 V123 S124T111-E113 PolarHBondContact O-N 3.48Å; T111-V123 CarbonylContact O-C 3.56Å; T111-V123 VanDerWaalsContact O-CA 3.32Å; T111-V123 WeakPolarHBondContact O-CA 3.12Å; T111-S124 PolarHBondContact N-O 2.84Å; T111-S124 PolarHBondContact O-N 2.75Å; T111-S124 PolarHBondContact O-OG 3.17Å; T111-S124 PolarHBondContact OG1-O 3.47Å; T111-S124 PolarHBondContact OG1-OG 3.07Å
112L89Confident86.2Confident2 Ų267.4 Ų67.41%0.0136%0.363CS..EExtended strand (participates in β ladder)trans-72.9119.8174.7-171.170.2000109.2I115 A121 V123 L144 E145 G147 C148 V150L112-I115 HydrophobicContact CD1-CG1 4.44Å; L112-I115 HydrophobicContact CD2-CD1 3.99Å; L112-I115 HydrophobicContact CD2-CG1 3.84Å; L112-I115 HydrophobicContact CG-CG1 4.38Å; L112-A121 HydrophobicContact CD1-CB 3.45Å; L112-A121 VanDerWaalsContact CD1-CB 3.45Å; L112-V123 HydrophobicContact CD1-CG1 3.86Å; L112-L144 HydrophobicContact CD2-CB 3.9Å; L112-L144 HydrophobicContact CD2-CD2 3.93Å; L112-L144 HydrophobicContact CD2-CG 4.48Å; L112-E145 WeakPolarHBondContact CD2-O 3.34Å; L112-G147 WeakPolarHBondContact O-CA 3.37Å; L112-G147 PolarHBondContact O-N 3Å; L112-C148 WeakPolarHBondContact CB-O 3.34Å; L112-C148 PolarHBondContact N-O 3.46Å; L112-V150 HydrophobicContact CB-CG1 4.18Å
113E88.6Confident86.7Confident91 Ų9163 Ų6343%0.42534%0.34SS..EExtended strand (participates in β ladder)trans-92.5-53.5177.7-66.9-166.2170.100111.3T111 I122 S124T111-E113 PolarHBondContact O-N 3.48Å; E113-I122 HydrophobicContact CB-CG2 4.38Å; E113-I122 PolarHBondContact N-O 2.71Å; E113-S124 WeakPolarHBondContact CG-OG 3.47Å; E113-S124 WeakPolarHBondContact OE1-CB 3.45Å; E113-S124 PolarHBondContact OE1-OG 2.88Å
114E90Very high87.4Confident117 Ų11758.6 Ų58.655%0.54733%0.326SS..EExtended strand (participates in β ladder)trans-148.1140-175.3-169.9175.3-178.200110.2A121 I122E114-A121 WeakPolarHBondContact O-CA 3.39Å; E114-I122 PolarHBondContact O-N 2.88Å
115I88.6Confident87.9Confident65 Ų6558.8 Ų58.833%0.33332%0.323SS..EExtended strand (participates in β ladder)trans-96.1116.5172.1-56.9171000106.6L112 D117 L144L112-I115 HydrophobicContact CD1-CG1 4.44Å; L112-I115 HydrophobicContact CD2-CD1 3.99Å; L112-I115 HydrophobicContact CD2-CG1 3.84Å; L112-I115 HydrophobicContact CG-CG1 4.38Å; I115-D117 WeakPolarHBondContact CG2-O 2.84Å; I115-L144 HydrophobicContact CD1-CB 3.83Å; I115-L144 WeakPolarHBondContact CD1-O 3.18Å
116I88.6Confident87.8Confident85 Ų8558.2 Ų58.244%0.43632%0.324SS..EExtended strand (participates in β ladder)trans-84.3-50.2-176.5-68.7169.5000110.2H120 I122 Y132I116-H120 PolarHBondContact N-O 3.43Å; I116-H120 VanDerWaalsContact N-O 3.15Å; I116-I122 HydrophobicContact CD1-CD1 3.71Å; I116-I122 HydrophobicContact CD1-CG1 3.57Å; I116-I122 HydrophobicContact CG1-CD1 4.29Å; I116-I122 HydrophobicContact CG1-CG1 4.24Å; I116-Y132 HydrophobicContact CD1-CD2 3.69Å; I116-Y132 HydrophobicContact CD1-CE2 3.5Å; I116-Y132 VanDerWaalsContact CD1-CE2 3.5Å
117D85.5Confident87.7Confident64 Ų6460 Ų6034%0.34233%0.334SS..EExtended strand (participates in β ladder)trans-144.2179.7-177.268.735.1000110.7I115 N119 H120I115-D117 WeakPolarHBondContact CG2-O 2.84Å; D117-N119 PolarHBondContact O-N 3.02Å; D117-N119 WeakPolarHBondContact OD1-CA 3.47Å; D117-N119 PolarHBondContact OD1-N 3.09Å; D117-H120 VanDerWaalsContact CG-ND1 3.29Å; D117-H120 PolarHBondContact N-O 3.18Å; D117-H120 PolarHBondContact O-N 3.43Å; D117-H120 WeakPolarHBondContact OD1-CA 3.29Å; D117-H120 WeakPolarHBondContact OD1-CB 3.45Å; D117-H120 IonicContact OD1-CG 3.95Å; D117-H120 PolarHBondContact OD1-N 3.25Å; D117-H120 IonicContact OD1-ND1 3.65Å; D117-H120 PolarHBondContact OD1-ND1 2.88Å; D117-H120 IonicContact OD2-CE1 2.89Å; D117-H120 IonicContact OD2-CG 2.8Å; D117-H120 IonicContact OD2-ND1 3.42Å; D117-H120 PolarHBondContact OD2-ND1 2.64Å
118D82.1Confident87.6Confident119 Ų11959.7 Ų59.764%0.63635%0.348SS*.THydrogen-bonded Turntrans-55.3-25.2-179.6-79-25.9000114K141D118-K141 WeakPolarHBondContact O-CE 3.36Å; D118-K141 PolarHBondContact O-NZ 3.18Å
119N86.8Confident87.6Confident91 Ų9159.6 Ų59.649%0.48735%0.347SS..THydrogen-bonded Turntrans-124-1.2-170.7-62.2-25.3000113.4D117 S134 I135D117-N119 PolarHBondContact O-N 3.02Å; D117-N119 WeakPolarHBondContact OD1-CA 3.47Å; D117-N119 PolarHBondContact OD1-N 3.09Å; N119-S134 CarbonylContact O-C 3.54Å; N119-S134 WeakPolarHBondContact O-CA 3.24Å; N119-I135 PolarHBondContact O-N 3.43Å
120H90Very high87.7Confident55 Ų5562.6 Ų62.626%0.25536%0.357SS..EExtended strand (participates in β ladder)trans-141.7141.4-174.4-52.593000112.2I116 D117 Y132 V133I116-H120 PolarHBondContact N-O 3.43Å; I116-H120 VanDerWaalsContact N-O 3.15Å; D117-H120 VanDerWaalsContact CG-ND1 3.29Å; D117-H120 PolarHBondContact N-O 3.18Å; D117-H120 PolarHBondContact O-N 3.43Å; D117-H120 WeakPolarHBondContact OD1-CA 3.29Å; D117-H120 WeakPolarHBondContact OD1-CB 3.45Å; D117-H120 IonicContact OD1-CG 3.95Å; D117-H120 PolarHBondContact OD1-N 3.25Å; D117-H120 IonicContact OD1-ND1 3.65Å; D117-H120 PolarHBondContact OD1-ND1 2.88Å; D117-H120 IonicContact OD2-CE1 2.89Å; D117-H120 IonicContact OD2-CG 2.8Å; D117-H120 IonicContact OD2-ND1 3.42Å; D117-H120 PolarHBondContact OD2-ND1 2.64Å; H120-Y132 HydrophobicContact CB-CD2 4.44Å; H120-Y132 HydrophobicContact CB-CE1 4.08Å; H120-Y132 HydrophobicContact CB-CE2 3.56Å; H120-Y132 VanDerWaalsContact CB-OH 3.27Å; H120-Y132 WeakPolarHBondContact CB-OH 3.1Å; H120-Y132 AromaticContact CD2-CE1 3.36Å; H120-Y132 WeakPolarHBondContact CD2-CE1 3.41Å; H120-Y132 AromaticContact CD2-CZ 3.49Å; H120-Y132 VanDerWaalsContact CD2-CZ 3.49Å; H120-Y132 PolarHBondContact CD2-OH 3.25Å; H120-Y132 AromaticContact CG-CE1 3.82Å; H120-Y132 AromaticContact CG-CZ 3.4Å; H120-Y132 VanDerWaalsContact CG-CZ 3.4Å; H120-Y132 PolarHBondContact ND1-OH 3.06Å; H120-V133 CarbonylContact C-O 3.56Å; H120-V133 VanDerWaalsContact CA-O 3.23Å; H120-V133 WeakPolarHBondContact CA-O 3.33Å
121A90.6Very high87.8Confident0 Ų064.9 Ų64.90%037%0.367CS..EExtended strand (participates in β ladder)trans-137.6161.1175.400000111.3L112 E114 V133 I135L112-A121 HydrophobicContact CD1-CB 3.45Å; L112-A121 VanDerWaalsContact CD1-CB 3.45Å; E114-A121 WeakPolarHBondContact O-CA 3.39Å; A121-V133 HydrophobicContact CB-CG2 4.48Å; A121-V133 PolarHBondContact N-O 2.82Å; A121-V133 VanDerWaalsContact O-CG2 3.28Å; A121-V133 WeakPolarHBondContact O-CG2 3.33Å; A121-V133 PolarHBondContact O-N 2.65Å; A121-I135 HydrophobicContact CB-CD1 4.24Å; A121-I135 HydrophobicContact CB-CG1 4.39Å
122I92.5Very high87.9Confident39 Ų3968.4 Ų68.420%0.237%0.374CS..EExtended strand (participates in β ladder)trans-94.9125.8167.4-62.1172.9000107.7E113 E114 I116 E130E113-I122 HydrophobicContact CB-CG2 4.38Å; E113-I122 PolarHBondContact N-O 2.71Å; E114-I122 PolarHBondContact O-N 2.88Å; I116-I122 HydrophobicContact CD1-CD1 3.71Å; I116-I122 HydrophobicContact CD1-CG1 3.57Å; I116-I122 HydrophobicContact CG1-CD1 4.29Å; I116-I122 HydrophobicContact CG1-CG1 4.24Å; I122-E130 HydrophobicContact CG2-CB 4.38Å
123V91.2Very high88Confident0 Ų068.3 Ų68.30%037%0.374CS..EExtended strand (participates in β ladder)trans-123.4132.5175.5-60.40000109.8T111 L112 E130 H131 V133 V150 L152 V159T111-V123 CarbonylContact O-C 3.56Å; T111-V123 VanDerWaalsContact O-CA 3.32Å; T111-V123 WeakPolarHBondContact O-CA 3.12Å; L112-V123 HydrophobicContact CD1-CG1 3.86Å; V123-E130 WeakPolarHBondContact O-CA 3.41Å; V123-H131 HydrophobicContact CG2-CB 4.27Å; V123-H131 PolarHBondContact N-O 3.37Å; V123-H131 PolarHBondContact O-N 3.44Å; V123-V133 HydrophobicContact CB-CG2 4.13Å; V123-V133 HydrophobicContact CG1-CG2 3.52Å; V123-V133 HydrophobicContact CG2-CB 4.14Å; V123-V133 HydrophobicContact CG2-CG1 3.43Å; V123-V133 VanDerWaalsContact CG2-CG1 3.43Å; V123-V133 HydrophobicContact CG2-CG2 3.53Å; V123-V150 HydrophobicContact CB-CG2 4.4Å; V123-V150 HydrophobicContact CG1-CG2 3.72Å; V123-L152 HydrophobicContact CB-CD1 4.26Å; V123-L152 HydrophobicContact CB-CD2 4.44Å; V123-L152 HydrophobicContact CG1-CD2 4.28Å; V123-L152 HydrophobicContact CG2-CD1 3.57Å; V123-L152 HydrophobicContact CG2-CD2 3.88Å; V123-L152 HydrophobicContact CG2-CG 4.37Å; V123-V159 HydrophobicContact CG1-CG2 4.27Å
124S90.9Very high88.1Confident13 Ų1366.1 Ų66.19%0.09137%0.368CS..EExtended strand (participates in β ladder)trans-89.1126.6167.238.40000109.4G110 T111 E113G110-S124 CarbonylContact C-O 3.55Å; G110-S124 WeakPolarHBondContact CA-O 3.23Å; T111-S124 PolarHBondContact N-O 2.84Å; T111-S124 PolarHBondContact O-N 2.75Å; T111-S124 PolarHBondContact O-OG 3.17Å; T111-S124 PolarHBondContact OG1-O 3.47Å; T111-S124 PolarHBondContact OG1-OG 3.07Å; E113-S124 WeakPolarHBondContact CG-OG 3.47Å; E113-S124 WeakPolarHBondContact OE1-CB 3.45Å; E113-S124 PolarHBondContact OE1-OG 2.88Å
125T87.7Confident88Confident21 Ų2161.3 Ų61.313%0.12935%0.346CS..EExtended strand (participates in β ladder)trans-79.9163.2172.463.50000110V127 G128 S129 L152T125-V127 PolarHBondContact O-N 3.34Å; T125-G128 PolarHBondContact O-N 2.92Å; T125-S129 PolarHBondContact N-O 3.1Å; T125-S129 PolarHBondContact OG1-O 3.32Å; T125-S129 PolarHBondContact OG1-OG 3.08Å; T125-L152 HydrophobicContact CG2-CD1 4.1Å
126S81.2Confident87.8Confident118 Ų11860.3 Ų60.383%0.82534%0.341SS*.THydrogen-bonded Turntrans-57.4-15.2174.756.70000114.7G128S126-G128 VanDerWaalsContact C-N 3.29Å
127V82.6Confident87.2Confident126 Ų12662.5 Ų62.576%0.76436%0.364SS*.THydrogen-bonded Turntrans-84.7-4.7176.3-167.40000111.9T125 S129T125-V127 PolarHBondContact O-N 3.34Å; V127-S129 VanDerWaalsContact C-N 3.34Å
128G81.3Confident86.9Confident63 Ų6363 Ų6365%0.64936%0.363SS*.SBendtrans79.813.6-178.100000114T125 S126T125-G128 PolarHBondContact O-N 2.92Å; S126-G128 VanDerWaalsContact C-N 3.29Å
129S87.8Confident86.8Confident48 Ų4858 Ų5834%0.33634%0.337SS..  trans-93.8126.7171.245.70000111T125 V127 H131T125-S129 PolarHBondContact N-O 3.1Å; T125-S129 PolarHBondContact OG1-O 3.32Å; T125-S129 PolarHBondContact OG1-OG 3.08Å; V127-S129 VanDerWaalsContact C-N 3.34Å; S129-H131 PolarHBondContact O-ND1 3.06Å; S129-H131 VanDerWaalsContact O-ND1 3.13Å; S129-H131 PolarHBondContact OG-CE1 3.07Å
130E90.7Very high86.5Confident134 Ų13458 Ų5863%0.62634%0.337SS*.EExtended strand (participates in β ladder)trans-81.8130.5173.9-66.6165.2-154.100109.8I122 V123I122-E130 HydrophobicContact CG2-CB 4.38Å; V123-E130 WeakPolarHBondContact O-CA 3.41Å
131H89.5Confident86.1Confident52 Ų5259.7 Ų59.724%0.24134%0.344CS..EExtended strand (participates in β ladder)trans-124.9136.9177.1-61.280.8000109.9V123 S129 V133 H157V123-H131 HydrophobicContact CG2-CB 4.27Å; V123-H131 PolarHBondContact N-O 3.37Å; V123-H131 PolarHBondContact O-N 3.44Å; S129-H131 PolarHBondContact O-ND1 3.06Å; S129-H131 VanDerWaalsContact O-ND1 3.13Å; S129-H131 PolarHBondContact OG-CE1 3.07Å; H131-V133 HydrophobicContact CB-CG1 3.72Å; H131-V133 PolarHBondContact O-N 3.44Å; H131-H157 AromaticContact NE2-CE1 3.98Å
132Y91Very high85.7Confident133 Ų13366.5 Ų66.552%0.52238%0.38SS..EExtended strand (participates in β ladder)trans-81.3111.7165.6-177.6-103.4000108.3I116 H120I116-Y132 HydrophobicContact CD1-CD2 3.69Å; I116-Y132 HydrophobicContact CD1-CE2 3.5Å; I116-Y132 VanDerWaalsContact CD1-CE2 3.5Å; H120-Y132 HydrophobicContact CB-CD2 4.44Å; H120-Y132 HydrophobicContact CB-CE1 4.08Å; H120-Y132 HydrophobicContact CB-CE2 3.56Å; H120-Y132 VanDerWaalsContact CB-OH 3.27Å; H120-Y132 WeakPolarHBondContact CB-OH 3.1Å; H120-Y132 AromaticContact CD2-CE1 3.36Å; H120-Y132 WeakPolarHBondContact CD2-CE1 3.41Å; H120-Y132 AromaticContact CD2-CZ 3.49Å; H120-Y132 VanDerWaalsContact CD2-CZ 3.49Å; H120-Y132 PolarHBondContact CD2-OH 3.25Å; H120-Y132 AromaticContact CG-CE1 3.82Å; H120-Y132 AromaticContact CG-CZ 3.4Å; H120-Y132 VanDerWaalsContact CG-CZ 3.4Å; H120-Y132 PolarHBondContact ND1-OH 3.06Å
133V90.9Very high85.2Confident1 Ų168.2 Ų68.21%0.00639%0.389CS..EExtended strand (participates in β ladder)trans-121.5146.8-169.5-62.20000110.9H120 A121 V123 H131 L152 H157 V159H120-V133 CarbonylContact C-O 3.56Å; H120-V133 VanDerWaalsContact CA-O 3.23Å; H120-V133 WeakPolarHBondContact CA-O 3.33Å; A121-V133 HydrophobicContact CB-CG2 4.48Å; A121-V133 PolarHBondContact N-O 2.82Å; A121-V133 VanDerWaalsContact O-CG2 3.28Å; A121-V133 WeakPolarHBondContact O-CG2 3.33Å; A121-V133 PolarHBondContact O-N 2.65Å; V123-V133 HydrophobicContact CB-CG2 4.13Å; V123-V133 HydrophobicContact CG1-CG2 3.52Å; V123-V133 HydrophobicContact CG2-CB 4.14Å; V123-V133 HydrophobicContact CG2-CG1 3.43Å; V123-V133 VanDerWaalsContact CG2-CG1 3.43Å; V123-V133 HydrophobicContact CG2-CG2 3.53Å; H131-V133 HydrophobicContact CB-CG1 3.72Å; H131-V133 PolarHBondContact O-N 3.44Å; V133-L152 HydrophobicContact CG2-CD2 4.48Å; V133-H157 WeakPolarHBondContact CA-O 3.36Å; V133-H157 WeakPolarHBondContact CB-O 3.48Å; V133-H157 HydrophobicContact CG1-CB 3.96Å; V133-H157 WeakPolarHBondContact CG1-O 3.35Å; V133-V159 HydrophobicContact CB-CG2 4.49Å; V133-V159 HydrophobicContact CG2-CG2 3.63Å
134S90.2Very high84.8Confident44 Ų4468.7 Ų68.731%0.30839%0.392SS..EExtended strand (participates in β ladder)trans-86.2142.1173.154.70000111.6N119 A158 V159N119-S134 CarbonylContact O-C 3.54Å; N119-S134 WeakPolarHBondContact O-CA 3.24Å; S134-A158 CarbonylContact O-C 3.59Å; S134-A158 VanDerWaalsContact O-CA 3.29Å; S134-A158 WeakPolarHBondContact O-CA 3.28Å; S134-A158 WeakPolarHBondContact O-CB 3.23Å; S134-V159 PolarHBondContact O-N 3.42Å
135I88.1Confident84.4Confident17 Ų1773.8 Ų73.89%0.08741%0.414CS..EExtended strand (participates in β ladder)trans-88.9120.4175.4-56.4168.7000108.2N119 A121 V139 L144 V159N119-I135 PolarHBondContact O-N 3.43Å; A121-I135 HydrophobicContact CB-CD1 4.24Å; A121-I135 HydrophobicContact CB-CG1 4.39Å; I135-V139 HydrophobicContact CG2-CB 4.08Å; I135-V139 HydrophobicContact CG2-CG1 4.5Å; I135-L144 HydrophobicContact CD1-CD1 3.92Å; I135-L144 HydrophobicContact CG1-CD1 4.41Å; I135-L144 HydrophobicContact CG2-CD1 4.09Å; I135-V159 HydrophobicContact CG1-CG2 4.49Å
136L84.5Confident84.2Confident43 Ų4377.3 Ų77.323%0.22544%0.437CS..PPolyproline II helixtrans-77.8149.8178.4-64.4171.4000111.4F138 V139 A158 V159 I160L136-F138 HydrophobicContact CB-CD1 3.78Å; L136-F138 HydrophobicContact CB-CE1 3.29Å; L136-F138 HydrophobicContact CB-CZ 3.78Å; L136-F138 HydrophobicContact CD1-CE1 3.51Å; L136-F138 HydrophobicContact CD1-CZ 3.47Å; L136-F138 VanDerWaalsContact CD1-CZ 3.47Å; L136-F138 HydrophobicContact CG-CE1 3.96Å; L136-F138 HydrophobicContact CG-CZ 4.26Å; L136-F138 PolarHBondContact O-N 3.27Å; L136-V139 PolarHBondContact O-N 3.32Å; L136-A158 HydrophobicContact CD1-CB 4.1Å; L136-A158 HydrophobicContact CD2-CB 4.36Å; L136-A158 HydrophobicContact CG-CB 4.05Å; L136-V159 WeakPolarHBondContact CB-O 3.36Å; L136-V159 WeakPolarHBondContact CG-O 3.48Å; L136-V159 PolarHBondContact N-O 3.12Å; L136-V159 VanDerWaalsContact N-O 3.17Å; L136-I160 HydrophobicContact CD1-CG1 4.42Å
137S77.1Confident84.2Confident131 Ų13174.1 Ų74.192%0.91642%0.423SS*.THydrogen-bonded Turntrans-64.9-9.8-169.9-48.20000116.1
138F79Confident84.2Confident75 Ų7568.7 Ų68.733%0.32939%0.391SS..THydrogen-bonded Turntrans-92.3-2177.253.1-88.6000113.2L102 L136 I160L102-F138 HydrophobicContact CB-CE1 4.45Å; L102-F138 HydrophobicContact CD1-CE1 4.33Å; L136-F138 HydrophobicContact CB-CD1 3.78Å; L136-F138 HydrophobicContact CB-CE1 3.29Å; L136-F138 HydrophobicContact CB-CZ 3.78Å; L136-F138 HydrophobicContact CD1-CE1 3.51Å; L136-F138 HydrophobicContact CD1-CZ 3.47Å; L136-F138 VanDerWaalsContact CD1-CZ 3.47Å; L136-F138 HydrophobicContact CG-CE1 3.96Å; L136-F138 HydrophobicContact CG-CZ 4.26Å; L136-F138 PolarHBondContact O-N 3.27Å; F138-I160 VanDerWaalsContact CD2-O 3.25Å; F138-I160 WeakPolarHBondContact CD2-O 3.46Å; F138-I160 HydrophobicContact CE2-CB 4.21Å; F138-I160 HydrophobicContact CE2-CG2 3.44Å; F138-I160 VanDerWaalsContact CE2-CG2 3.44Å; F138-I160 WeakPolarHBondContact CE2-O 3.43Å; F138-I160 HydrophobicContact CZ-CB 4.33Å; F138-I160 HydrophobicContact CZ-CG2 3.67Å
139V79.3Confident84.4Confident13 Ų1366.5 Ų66.58%0.07937%0.366CS..SBendtrans-91.8126.1172.7-172.20000108.4I135 L136 K141 L144 V159 I160 V162I135-V139 HydrophobicContact CG2-CB 4.08Å; I135-V139 HydrophobicContact CG2-CG1 4.5Å; L136-V139 PolarHBondContact O-N 3.32Å; V139-K141 PolarHBondContact O-N 3.22Å; V139-L144 HydrophobicContact CG1-CD1 4.05Å; V139-L144 HydrophobicContact CG1-CD2 4.35Å; V139-L144 HydrophobicContact CG1-CG 4.2Å; V139-V159 HydrophobicContact CG1-CG1 4.46Å; V139-V159 HydrophobicContact CG2-CG1 4.33Å; V139-I160 VanDerWaalsContact CG2-O 3.32Å; V139-I160 WeakPolarHBondContact CG2-O 3.45Å; V139-V162 HydrophobicContact CG1-CG2 3.96Å
140D80.8Confident84.5Confident91 Ų9164.2 Ų64.249%0.48735%0.35SS..  trans-73.3126.2172.7-160.6-14.8000109.4D142 L143D140-D142 VanDerWaalsContact C-N 3.3Å; D140-D142 PolarHBondContact OD1-N 3.5Å; D140-L143 HydrophobicContact CB-CB 4.47Å; D140-L143 HydrophobicContact CB-CD1 3.89Å; D140-L143 HydrophobicContact CB-CG 4Å; D140-L143 PolarHBondContact O-N 2.95Å
141K80.9Confident84.4Confident91 Ų9159.6 Ų59.640%0.39633%0.329SS..G310 helixtrans-73.1-28.6-175.3-62.5178.6-176.9-174.20111.5D118 V139 L143 L144D118-K141 WeakPolarHBondContact O-CE 3.36Å; D118-K141 PolarHBondContact O-NZ 3.18Å; V139-K141 PolarHBondContact O-N 3.22Å; K141-L143 PolarHBondContact O-N 2.96Å; K141-L144 PolarHBondContact O-N 3.38Å; K141-L144 VanDerWaalsContact O-N 3.16Å
142D82.9Confident84.3Confident143 Ų14357.1 Ų57.177%0.76532%0.318SS*.G310 helixtrans-71.7-17.4-179.8-64.5-21.7000111.9D140D140-D142 VanDerWaalsContact C-N 3.3Å; D140-D142 PolarHBondContact OD1-N 3.5Å
143L82.5Confident84.1Confident75 Ų7551.4 Ų51.439%0.39330%0.296SS..G310 helixtrans-88.4-7.8174.7-62179.2000113.3D140 K141 E145 V162 M164D140-L143 HydrophobicContact CB-CB 4.47Å; D140-L143 HydrophobicContact CB-CD1 3.89Å; D140-L143 HydrophobicContact CB-CG 4Å; D140-L143 PolarHBondContact O-N 2.95Å; K141-L143 PolarHBondContact O-N 2.96Å; L143-E145 PolarHBondContact O-N 3.41Å; L143-V162 HydrophobicContact CB-CG2 4.42Å; L143-M164 HydrophobicContact CD1-CE 4.16Å; L143-M164 HydrophobicContact CD1-SD 4.28Å; L143-M164 HydrophobicContact CD2-CE 3.85Å
144L82.4Confident83.8Confident11 Ų1154.3 Ų54.36%0.05831%0.309CS..  trans-89.7104179.3-71.6169.7000109.5L112 I115 I135 V139 K141 V150 V162L112-L144 HydrophobicContact CD2-CB 3.9Å; L112-L144 HydrophobicContact CD2-CD2 3.93Å; L112-L144 HydrophobicContact CD2-CG 4.48Å; I115-L144 HydrophobicContact CD1-CB 3.83Å; I115-L144 WeakPolarHBondContact CD1-O 3.18Å; I135-L144 HydrophobicContact CD1-CD1 3.92Å; I135-L144 HydrophobicContact CG1-CD1 4.41Å; I135-L144 HydrophobicContact CG2-CD1 4.09Å; V139-L144 HydrophobicContact CG1-CD1 4.05Å; V139-L144 HydrophobicContact CG1-CD2 4.35Å; V139-L144 HydrophobicContact CG1-CG 4.2Å; K141-L144 PolarHBondContact O-N 3.38Å; K141-L144 VanDerWaalsContact O-N 3.16Å; L144-V150 HydrophobicContact CD2-CG1 3.62Å; L144-V162 HydrophobicContact CD2-CG2 3.36Å; L144-V162 HydrophobicContact CG-CG2 3.92Å
145E81.7Confident83.5Confident119 Ų11960 Ų6056%0.55633%0.328SS*.  trans-108.2143.5170.5-61.3-175.4160.500110.4L112 L143 G147 C148L112-E145 WeakPolarHBondContact CD2-O 3.34Å; L143-E145 PolarHBondContact O-N 3.41Å; E145-G147 PolarHBondContact O-N 3.04Å; E145-C148 WeakPolarHBondContact O-CB 3.44Å; E145-C148 PolarHBondContact O-N 2.77Å
146P84.2Confident83.3Confident95 Ų9563.9 Ų63.962%0.61735%0.353SS*.THydrogen-bonded Turntrans-52.5125.9170.9-26.135.4000111
147G80.9Confident83.2Confident51 Ų5165.4 Ų65.453%0.52636%0.359SS..THydrogen-bonded Turntrans99-11.2-176.500000115.1L112 E145L112-G147 WeakPolarHBondContact O-CA 3.37Å; L112-G147 PolarHBondContact O-N 3Å; E145-G147 PolarHBondContact O-N 3.04Å
148C82.5Confident83.7Confident13 Ų1359.3 Ų59.39%0.08832%0.316CS..  trans-70.1144174.7-72.10000111.9L112 E145 V162L112-C148 WeakPolarHBondContact CB-O 3.34Å; L112-C148 PolarHBondContact N-O 3.46Å; E145-C148 WeakPolarHBondContact O-CB 3.44Å; E145-C148 PolarHBondContact O-N 2.77Å; C148-V162 HydrophobicContact CB-CG1 4.24Å
149S86.1Confident84.1Confident17 Ų1755.8 Ų55.812%0.11930%0.301CS..EExtended strand (participates in β ladder)trans-78.1131.1170.3-55.20000110.8G110 L163 D166G110-S149 CarbonylContact O-C 3.56Å; G110-S149 VanDerWaalsContact O-CA 3.31Å; G110-S149 WeakPolarHBondContact O-CA 3.46Å; S149-L163 PolarHBondContact O-N 3.04Å; S149-D166 WeakPolarHBondContact CA-OD2 2.91Å; S149-D166 VanDerWaalsContact CB-CG 3.42Å; S149-D166 WeakPolarHBondContact CB-OD1 3.27Å; S149-D166 WeakPolarHBondContact CB-OD2 3.38Å; S149-D166 PolarHBondContact N-OD2 2.64Å; S149-D166 PolarHBondContact OG-OD1 3.26Å; S149-D166 VanDerWaalsContact OG-OD1 3.08Å; S149-D166 PolarHBondContact OG-OD2 2.91Å
150V89.1Confident84.4Confident0 Ų055.3 Ų55.30%030%0.298CS..EExtended strand (participates in β ladder)trans-118.1146.9-179.2-67.20000110.2G110 L112 V123 L144 L152 V159 G161G110-V150 PolarHBondContact N-O 2.8Å; G110-V150 WeakPolarHBondContact O-CG2 3.26Å; G110-V150 PolarHBondContact O-N 3.16Å; L112-V150 HydrophobicContact CB-CG1 4.18Å; V123-V150 HydrophobicContact CB-CG2 4.4Å; V123-V150 HydrophobicContact CG1-CG2 3.72Å; L144-V150 HydrophobicContact CD2-CG1 3.62Å; V150-L152 HydrophobicContact CG2-CD2 4.11Å; V150-L152 HydrophobicContact CG2-CG 4.47Å; V150-V159 HydrophobicContact CB-CG1 3.99Å; V150-V159 HydrophobicContact CG1-CG1 4.17Å; V150-G161 CarbonylContact C-O 3.51Å; V150-G161 WeakPolarHBondContact CA-O 3.49Å
151L88.7Confident84.5Confident36 Ų3651.7 Ų51.719%0.18828%0.282CS..EExtended strand (participates in β ladder)trans-89127.7174.5-60.2175.9000109.3M107 V109 I160 G161 L163M107-L151 HydrophobicContact CE-CB 3.73Å; M107-L151 HydrophobicContact CE-CD1 3.66Å; M107-L151 HydrophobicContact CE-CG 4.26Å; M107-L151 HydrophobicContact SD-CD1 4.32Å; V109-L151 HydrophobicContact CG2-CD2 4.18Å; L151-I160 HydrophobicContact CB-CB 4.43Å; L151-I160 WeakPolarHBondContact O-CB 3.08Å; L151-I160 PolarHBondContact O-N 3.13Å; L151-G161 PolarHBondContact N-O 3.29Å; L151-L163 HydrophobicContact CD2-CD1 4.48Å
152L88.4Confident84.6Confident1 Ų148.7 Ų48.71%0.00527%0.271CS..EExtended strand (participates in β ladder)trans-115.2143-175.9-58.6176000111.5S108 V123 T125 V133 V150 A158 V159S108-L152 PolarHBondContact N-O 2.6Å; S108-L152 PolarHBondContact O-N 3.31Å; V123-L152 HydrophobicContact CB-CD1 4.26Å; V123-L152 HydrophobicContact CB-CD2 4.44Å; V123-L152 HydrophobicContact CG1-CD2 4.28Å; V123-L152 HydrophobicContact CG2-CD1 3.57Å; V123-L152 HydrophobicContact CG2-CD2 3.88Å; V123-L152 HydrophobicContact CG2-CG 4.37Å; T125-L152 HydrophobicContact CG2-CD1 4.1Å; V133-L152 HydrophobicContact CG2-CD2 4.48Å; V150-L152 HydrophobicContact CG2-CD2 4.11Å; V150-L152 HydrophobicContact CG2-CG 4.47Å; L152-A158 WeakPolarHBondContact CA-O 3.14Å; L152-V159 HydrophobicContact CD2-CG2 3.85Å
153N87.2Confident84.6Confident12 Ų1245.4 Ų45.46%0.06425%0.253CS..EExtended strand (participates in β ladder)trans-78.4126.4174-168-38.1000109.7L102 R103 K155 H157 A158 I160L102-N153 PolarHBondContact O-ND2 2.91Å; R103-N153 PolarHBondContact O-ND2 3.21Å; N153-K155 PolarHBondContact O-N 2.96Å; N153-K155 PolarHBondContact OD1-N 3.06Å; N153-H157 WeakPolarHBondContact O-CA 3.5Å; N153-H157 PolarHBondContact O-N 3.38Å; N153-A158 PolarHBondContact N-O 3.39Å; N153-I160 HydrophobicContact CB-CD1 3.5Å; N153-I160 VanDerWaalsContact CB-CD1 3.5Å; N153-I160 HydrophobicContact CB-CG1 4.07Å
154H83.5Confident83.9Confident63 Ų6347.9 Ų47.929%0.29226%0.264SS..THydrogen-bonded Turntrans-62.4-21179.671.8-84.6000114.4T105 P106T105-H154 PolarHBondContact O-CE1 3.3Å; T105-H154 VanDerWaalsContact O-CE1 3.24Å; P106-H154 HydrophobicContact CG-CB 4.45Å; P106-H154 PolarHBondContact O-ND1 2.93Å
155K84.1Confident83Confident162 Ų16253.4 Ų53.470%0.70429%0.294SS*.THydrogen-bonded Turntrans-93-45.8-179.2-60.5-172.8-178.6172.70113.4N153N153-K155 PolarHBondContact O-N 2.96Å; N153-K155 PolarHBondContact OD1-N 3.06Å
156V82.7Confident82.1Confident100 Ų10050 Ų5061%0.60628%0.28SS*.THydrogen-bonded Turntrans-101.1-15.7-169.4-171.20000111.6A158V156-A158 HydrophobicContact CB-CB 4.39Å; V156-A158 HydrophobicContact CG1-CB 4.21Å
157H83.6Confident81.1Confident75 Ų7548 Ų4835%0.34727%0.266SS..  trans4959.5-167.2-60.2-79.1000110.3H131 V133 N153H131-H157 AromaticContact NE2-CE1 3.98Å; V133-H157 WeakPolarHBondContact CA-O 3.36Å; V133-H157 WeakPolarHBondContact CB-O 3.48Å; V133-H157 HydrophobicContact CG1-CB 3.96Å; V133-H157 WeakPolarHBondContact CG1-O 3.35Å; N153-H157 WeakPolarHBondContact O-CA 3.5Å; N153-H157 PolarHBondContact O-N 3.38Å
158A87.7Confident80.5Confident2 Ų249.3 Ų49.32%0.01726%0.261CS..EExtended strand (participates in β ladder)trans-119.5147175.700000109.5S134 L136 L152 N153 V156 I160S134-A158 CarbonylContact O-C 3.59Å; S134-A158 VanDerWaalsContact O-CA 3.29Å; S134-A158 WeakPolarHBondContact O-CA 3.28Å; S134-A158 WeakPolarHBondContact O-CB 3.23Å; L136-A158 HydrophobicContact CD1-CB 4.1Å; L136-A158 HydrophobicContact CD2-CB 4.36Å; L136-A158 HydrophobicContact CG-CB 4.05Å; L152-A158 WeakPolarHBondContact CA-O 3.14Å; N153-A158 PolarHBondContact N-O 3.39Å; V156-A158 HydrophobicContact CB-CB 4.39Å; V156-A158 HydrophobicContact CG1-CB 4.21Å; A158-I160 WeakPolarHBondContact O-CG1 3.48Å; A158-I160 PolarHBondContact O-N 3.04Å
159V86.8Confident80Confident1 Ų153.4 Ų53.41%0.00629%0.287CS..EExtended strand (participates in β ladder)trans-74.8120.7177.3-177.70000109.3V123 V133 S134 I135 L136 V139 V150 L152V123-V159 HydrophobicContact CG1-CG2 4.27Å; V133-V159 HydrophobicContact CB-CG2 4.49Å; V133-V159 HydrophobicContact CG2-CG2 3.63Å; S134-V159 PolarHBondContact O-N 3.42Å; I135-V159 HydrophobicContact CG1-CG2 4.49Å; L136-V159 WeakPolarHBondContact CB-O 3.36Å; L136-V159 WeakPolarHBondContact CG-O 3.48Å; L136-V159 PolarHBondContact N-O 3.12Å; L136-V159 VanDerWaalsContact N-O 3.17Å; V139-V159 HydrophobicContact CG1-CG1 4.46Å; V139-V159 HydrophobicContact CG2-CG1 4.33Å; V150-V159 HydrophobicContact CB-CG1 3.99Å; V150-V159 HydrophobicContact CG1-CG1 4.17Å; L152-V159 HydrophobicContact CD2-CG2 3.85Å
160I84.8Confident79.2Confident3 Ų356 Ų562%0.01530%0.299CS..EExtended strand (participates in β ladder)trans-101.6-26.7-176.1-50.1-172.4000110.9R103 M107 L136 F138 V139 L151 N153 A158R103-I160 HydrophobicContact CB-CD1 4.49Å; R103-I160 HydrophobicContact CB-CG2 4.02Å; R103-I160 HydrophobicContact CG-CG2 3.5Å; R103-I160 VanDerWaalsContact CG-CG2 3.5Å; R103-I160 WeakPolarHBondContact O-CD1 3.29Å; M107-I160 HydrophobicContact CE-CB 3.98Å; M107-I160 HydrophobicContact CE-CD1 3.97Å; M107-I160 HydrophobicContact CE-CG2 3.61Å; L136-I160 HydrophobicContact CD1-CG1 4.42Å; F138-I160 VanDerWaalsContact CD2-O 3.25Å; F138-I160 WeakPolarHBondContact CD2-O 3.46Å; F138-I160 HydrophobicContact CE2-CB 4.21Å; F138-I160 HydrophobicContact CE2-CG2 3.44Å; F138-I160 VanDerWaalsContact CE2-CG2 3.44Å; F138-I160 WeakPolarHBondContact CE2-O 3.43Å; F138-I160 HydrophobicContact CZ-CB 4.33Å; F138-I160 HydrophobicContact CZ-CG2 3.67Å; V139-I160 VanDerWaalsContact CG2-O 3.32Å; V139-I160 WeakPolarHBondContact CG2-O 3.45Å; L151-I160 HydrophobicContact CB-CB 4.43Å; L151-I160 WeakPolarHBondContact O-CB 3.08Å; L151-I160 PolarHBondContact O-N 3.13Å; N153-I160 HydrophobicContact CB-CD1 3.5Å; N153-I160 VanDerWaalsContact CB-CD1 3.5Å; N153-I160 HydrophobicContact CB-CG1 4.07Å; A158-I160 WeakPolarHBondContact O-CG1 3.48Å; A158-I160 PolarHBondContact O-N 3.04Å
161G83.7Confident78.3Confident15 Ų1556 Ų5616%0.15530%0.299CS..EExtended strand (participates in β ladder)trans178.9165.4-177.900000111.3V150 L151V150-G161 CarbonylContact C-O 3.51Å; V150-G161 WeakPolarHBondContact CA-O 3.49Å; L151-G161 PolarHBondContact N-O 3.29Å
162V84.3Confident77.5Confident29 Ų2957.9 Ų57.918%0.17631%0.312CS..EExtended strand (participates in β ladder)trans-97.7134.7173.6-1710000107.9V139 L143 L144 C148 M164V139-V162 HydrophobicContact CG1-CG2 3.96Å; L143-V162 HydrophobicContact CB-CG2 4.42Å; L144-V162 HydrophobicContact CD2-CG2 3.36Å; L144-V162 HydrophobicContact CG-CG2 3.92Å; C148-V162 HydrophobicContact CB-CG1 4.24Å; V162-M164 PolarHBondContact O-N 3.46Å
163L81.2Confident76.6Confident74 Ų7463.3 Ų63.339%0.38735%0.345SS..  trans-83.4104.2165.3-155.576.4000106.4S149 L151 D165S149-L163 PolarHBondContact O-N 3.04Å; L151-L163 HydrophobicContact CD2-CD1 4.48Å; L163-D165 PolarHBondContact O-N 3Å
164M68.1Low75.8Confident127 Ų12763 Ų6363%0.62634%0.343SS*.SBendtrans-73.1-17.4-175-60.5-174.576.500112.7L143 V162L143-M164 HydrophobicContact CD1-CE 4.16Å; L143-M164 HydrophobicContact CD1-SD 4.28Å; L143-M164 HydrophobicContact CD2-CE 3.85Å; V162-M164 PolarHBondContact O-N 3.46Å
165D63.7Low75.1Confident127 Ų12763.6 Ų63.668%0.67935%0.345SS*.  trans-11460.2-175.1-62.2-32.4000111.8L163 T167L163-D165 PolarHBondContact O-N 3Å; D165-T167 PolarHBondContact O-N 3.41Å
166D62.1Low74.1Confident48 Ų4858.4 Ų58.426%0.25733%0.327SS..  trans-73.240.9165.9-75.9-19.3000112S149 D168S149-D166 WeakPolarHBondContact CA-OD2 2.91Å; S149-D166 VanDerWaalsContact CB-CG 3.42Å; S149-D166 WeakPolarHBondContact CB-OD1 3.27Å; S149-D166 WeakPolarHBondContact CB-OD2 3.38Å; S149-D166 PolarHBondContact N-OD2 2.64Å; S149-D166 PolarHBondContact OG-OD1 3.26Å; S149-D166 VanDerWaalsContact OG-OD1 3.08Å; S149-D166 PolarHBondContact OG-OD2 2.91Å; D166-D168 PolarHBondContact O-N 2.77Å
167T63.8Low73Confident52 Ų5262.1 Ų62.132%0.31934%0.337SS..  trans-79.5119.9171.750.50000107.9D165 V273D165-T167 PolarHBondContact O-N 3.41Å; T167-V273 HydrophobicContact CG2-CG2 3.59Å
168D68.3Low71.9Confident79 Ų7966.8 Ų66.842%0.42236%0.357SS..  trans-51.4135.4170-92.8-34.8000108.7D166 L170 V171 T172D166-D168 PolarHBondContact O-N 2.77Å; D168-L170 PolarHBondContact O-N 3.05Å; D168-V171 HydrophobicContact CB-CG2 4.28Å; D168-V171 PolarHBondContact O-N 2.93Å; D168-T172 PolarHBondContact O-N 3.28Å
169P71.8Confident70.7Confident98 Ų9870.2 Ų70.264%0.63639%0.385SS*.Hα-helixtrans-58-23.7-177.623.5-34000111.8T172 V173P169-T172 PolarHBondContact O-N 3.29Å; P169-V173 WeakPolarHBondContact O-CG2 3.3Å; P169-V173 PolarHBondContact O-N 3.35Å
170L70.4Confident70Confident71 Ų7171.1 Ų71.137%0.37239%0.391SS..Hα-helixtrans-66.7-34.5175.7-164.663.2000112.4D168 V173 M174 L266D168-L170 PolarHBondContact O-N 3.05Å; L170-V173 WeakPolarHBondContact O-CB 3.46Å; L170-V173 PolarHBondContact O-N 3.44Å; L170-M174 HydrophobicContact CD2-CE 4.38Å; L170-M174 HydrophobicContact CG-CE 3.99Å; L170-M174 WeakPolarHBondContact O-CG 3.48Å; L170-M174 PolarHBondContact O-N 2.89Å; L170-L266 HydrophobicContact CB-CD1 4.22Å; L170-L266 HydrophobicContact CD2-CD1 3.7Å; L170-L266 HydrophobicContact CD2-CD2 3.54Å; L170-L266 HydrophobicContact CD2-CG 4.25Å; L170-L266 HydrophobicContact CG-CD1 4.12Å; L170-L266 HydrophobicContact CG-CD2 4.5Å
171V69.8Low69.6Low2 Ų279.9 Ų79.91%0.01243%0.432CS..Hα-helixtrans-76.2-34.8178-175.20000111D168 V173 M174 K175 L266 E269 V273D168-V171 HydrophobicContact CB-CG2 4.28Å; D168-V171 PolarHBondContact O-N 2.93Å; V171-V173 PolarHBondContact O-N 3.04Å; V171-M174 WeakPolarHBondContact O-CA 3.43Å; V171-M174 WeakPolarHBondContact O-CB 3.47Å; V171-M174 PolarHBondContact O-N 2.86Å; V171-K175 PolarHBondContact O-N 3.48Å; V171-K175 VanDerWaalsContact O-N 3.15Å; V171-L266 HydrophobicContact CG2-CD1 3.83Å; V171-E269 HydrophobicContact CG2-CB 4.07Å; V171-V273 HydrophobicContact CG1-CB 3.89Å; V171-V273 HydrophobicContact CG1-CG1 4.1Å; V171-V273 HydrophobicContact CG1-CG2 3.62Å
172T71Confident69.6Low74 Ų7482.7 Ų82.745%0.45444%0.441SS..Hα-helixtrans-59.5-34.9171.4-38.50000111.5D168 P169 M174 K175D168-T172 PolarHBondContact O-N 3.28Å; P169-T172 PolarHBondContact O-N 3.29Å; T172-M174 VanDerWaalsContact C-N 3.32Å; T172-M174 PolarHBondContact O-N 3.11Å; T172-K175 WeakPolarHBondContact O-CB 3.38Å; T172-K175 PolarHBondContact O-N 3.19Å
173V70.7Confident69.6Low115 Ų11583.5 Ų83.570%0.69745%0.446SS*.Hα-helixtrans-68.2-30.5174.4175.20000112.2P169 L170 V171 K175P169-V173 WeakPolarHBondContact O-CG2 3.3Å; P169-V173 PolarHBondContact O-N 3.35Å; L170-V173 WeakPolarHBondContact O-CB 3.46Å; L170-V173 PolarHBondContact O-N 3.44Å; V171-V173 PolarHBondContact O-N 3.04Å; V173-K175 VanDerWaalsContact C-N 3.32Å
174M70.7Confident69.9Low6 Ų681.2 Ų81.23%0.0343%0.432CS..Hα-helixtrans-74.3-23.4176.1-62177.7-159.700112.9L170 V171 T172 V176 R249 V250 L266 L270L170-M174 HydrophobicContact CD2-CE 4.38Å; L170-M174 HydrophobicContact CG-CE 3.99Å; L170-M174 WeakPolarHBondContact O-CG 3.48Å; L170-M174 PolarHBondContact O-N 2.89Å; V171-M174 WeakPolarHBondContact O-CA 3.43Å; V171-M174 WeakPolarHBondContact O-CB 3.47Å; V171-M174 PolarHBondContact O-N 2.86Å; T172-M174 VanDerWaalsContact C-N 3.32Å; T172-M174 PolarHBondContact O-N 3.11Å; M174-V176 PolarHBondContact O-N 3.24Å; M174-V176 VanDerWaalsContact O-N 3.15Å; M174-R249 PolarHBondContact O-N 2.66Å; M174-R249 VanDerWaalsContact O-N 3.14Å; M174-V250 HydrophobicContact CB-CG2 4.22Å; M174-V250 HydrophobicContact CG-CG2 4.07Å; M174-V250 HydrophobicContact SD-CB 4.44Å; M174-V250 HydrophobicContact SD-CG1 4.18Å; M174-V250 HydrophobicContact SD-CG2 3.51Å; M174-V250 VanDerWaalsContact SD-CG2 3.51Å; M174-L266 HydrophobicContact CE-CD1 3.56Å; M174-L266 HydrophobicContact CE-CD2 3.75Å; M174-L266 HydrophobicContact CE-CG 3.79Å; M174-L270 HydrophobicContact SD-CD1 3.9Å
175K67.3Low70.6Confident76 Ų7678.8 Ų78.833%0.3343%0.432SS..BIsolated β-bridgetrans-70.3108.9175.3-168.9174.4177.9178.70109.3V171 T172 V173 E177 L248 H277V171-K175 PolarHBondContact O-N 3.48Å; V171-K175 VanDerWaalsContact O-N 3.15Å; T172-K175 WeakPolarHBondContact O-CB 3.38Å; T172-K175 PolarHBondContact O-N 3.19Å; V173-K175 VanDerWaalsContact C-N 3.32Å; K175-E177 PolarHBondContact O-N 3.23Å; K175-L248 HydrophobicContact CB-CD2 4.11Å; K175-L248 HydrophobicContact CG-CD2 4.15Å; K175-H277 PolarHBondContact NZ-CD2 2.95Å; K175-H277 PolarHBondContact NZ-NE2 3.46Å
176V64.9Low71.6Confident53 Ų5374.8 Ų74.832%0.32141%0.411SS..  trans-79.394.4177.6-172.70000108.4M174 K178 F247 R249M174-V176 PolarHBondContact O-N 3.24Å; M174-V176 VanDerWaalsContact O-N 3.15Å; V176-K178 WeakPolarHBondContact CG1-O 3.5Å; V176-K178 PolarHBondContact O-N 3.45Å; V176-K178 VanDerWaalsContact O-N 3.15Å; V176-F247 HydrophobicContact CB-CD1 4.2Å; V176-F247 HydrophobicContact CG2-CD1 3.97Å; V176-F247 HydrophobicContact CG2-CE1 4.41Å; V176-F247 PolarHBondContact N-O 2.9Å; V176-R249 HydrophobicContact CG2-CB 3.55Å
177E58.3Low72.7Confident177 Ų17773.7 Ų73.783%0.82741%0.405SS*.  trans-62.5-18.4175.1-68.7-170.6154.900113.3K175K175-E177 PolarHBondContact O-N 3.23Å
178K60.9Low73.7Confident174 Ų17471.6 Ų71.676%0.75739%0.393SS*.SBendtrans-104.9108.5-178-68-179.3-177.7172.80111.2V176V176-K178 WeakPolarHBondContact CG1-O 3.5Å; V176-K178 PolarHBondContact O-N 3.45Å; V176-K178 VanDerWaalsContact O-N 3.15Å
179A62.9Low74.5Confident73 Ų7368.3 Ų68.360%0.60338%0.378SS*.  trans-47.2127.1169.800000110.4Q181A179-Q181 PolarHBondContact O-N 3.36Å
180P71.1Confident75.1Confident21 Ų2165 Ų6514%0.13636%0.355CS..  trans-57.8137.2177.919.1-28.1000110.3E182 K237 A240 N241P180-E182 VanDerWaalsContact C-N 3.27Å; P180-E182 PolarHBondContact O-N 3.23Å; P180-K237 HydrophobicContact CB-CB 3.85Å; P180-K237 HydrophobicContact CB-CG 4.21Å; P180-K237 HydrophobicContact CG-CB 4.28Å; P180-K237 WeakPolarHBondContact CG-O 3.36Å; P180-A240 HydrophobicContact CG-CB 3.97Å; P180-N241 HydrophobicContact CG-CB 4.19Å; P180-N241 WeakPolarHBondContact O-CB 3.45Å; P180-N241 PolarHBondContact O-ND2 3.35Å; P180-N241 PolarHBondContact O-OD1 3.49Å
181Q77.8Confident75.9Confident186 Ų18667.2 Ų67.287%0.86937%0.368SS*.  trans-79.1-11.5-178-65-177.72.100113.5A179A179-Q181 PolarHBondContact O-N 3.36Å
182E82Confident76.9Confident75 Ų7572.7 Ų72.735%0.3540%0.396SS..  trans-72.1135.3-175.3-55.2-68.2166.400110.1P180 L234 N241P180-E182 VanDerWaalsContact C-N 3.27Å; P180-E182 PolarHBondContact O-N 3.23Å; E182-L234 HydrophobicContact CG-CG 4.47Å; E182-N241 WeakPolarHBondContact O-CB 3.39Å; E182-N241 PolarHBondContact O-ND2 3.06Å
183T85.5Confident77.9Confident46 Ų4670.8 Ų70.828%0.28238%0.382SS..  trans-115.5162.3175.863.20000110.5A185 D186T183-A185 PolarHBondContact O-N 3.1Å; T183-D186 PolarHBondContact N-OD2 3.45Å; T183-D186 WeakPolarHBondContact O-CB 3.35Å; T183-D186 PolarHBondContact O-N 3.25Å; T183-D186 PolarHBondContact OG1-OD2 3.25Å
184Y86.3Confident78.8Confident26 Ų2666 Ų6610%0.10235%0.353CS..G310 helixtrans-56.1-23.8173.4-65.4-62.5000113D186 I187 I194 K198 E202 L235 A238 V239 Q242Y184-D186 VanDerWaalsContact C-N 3.27Å; Y184-D186 PolarHBondContact O-N 2.67Å; Y184-I187 HydrophobicContact CD1-CD1 4.49Å; Y184-I187 PolarHBondContact O-N 3.05Å; Y184-I194 HydrophobicContact CD1-CG2 3.85Å; Y184-I194 HydrophobicContact CE1-CG2 3.99Å; Y184-K198 HydrophobicContact CE1-CG 4.44Å; Y184-K198 HydrophobicContact CE2-CD 4.41Å; Y184-K198 WeakPolarHBondContact OH-CG 3.18Å; Y184-E202 PolarHBondContact OH-OE2 3.21Å; Y184-L235 HydrophobicContact CE1-CD1 4.36Å; Y184-A238 HydrophobicContact CD1-CB 4.14Å; Y184-A238 HydrophobicContact CE1-CB 4.37Å; Y184-V239 HydrophobicContact CE1-CG2 3.9Å; Y184-V239 WeakPolarHBondContact OH-CG2 3.42Å; Y184-Q242 HydrophobicContact CD2-CB 4.44Å; Y184-Q242 HydrophobicContact CD2-CG 3.6Å; Y184-Q242 HydrophobicContact CE2-CB 3.68Å; Y184-Q242 HydrophobicContact CE2-CG 3.33Å
185A84.7Confident79.7Confident75 Ų7571 Ų7162%0.6238%0.376SS*.G310 helixtrans-70.8-21.8177.500000113.5T183 I187T183-A185 PolarHBondContact O-N 3.1Å; A185-I187 VanDerWaalsContact C-N 3.27Å
186D83.4Confident80.9Confident44 Ų4471.2 Ų71.224%0.23538%0.378CS..G310 helixtrans-81.8-8.6175.7-58.5-62.2000112T183 Y184T183-D186 PolarHBondContact N-OD2 3.45Å; T183-D186 WeakPolarHBondContact O-CB 3.35Å; T183-D186 PolarHBondContact O-N 3.25Å; T183-D186 PolarHBondContact OG1-OD2 3.25Å; Y184-D186 VanDerWaalsContact C-N 3.27Å; Y184-D186 PolarHBondContact O-N 2.67Å
187I86Confident82.1Confident25 Ų2568.7 Ų68.713%0.12836%0.363CS..SBendtrans-91.8120.2176.4-46.2-166.3000109.3Y184 A185 I194 L234 L235 A238Y184-I187 HydrophobicContact CD1-CD1 4.49Å; Y184-I187 PolarHBondContact O-N 3.05Å; A185-I187 VanDerWaalsContact C-N 3.27Å; I187-I194 HydrophobicContact CB-CD1 4.25Å; I187-I194 HydrophobicContact CG2-CD1 4.03Å; I187-L234 HydrophobicContact CD1-CD2 3.69Å; I187-L234 HydrophobicContact CG1-CD2 3.42Å; I187-L234 VanDerWaalsContact CG1-CD2 3.42Å; I187-L235 HydrophobicContact CD1-CB 4.26Å; I187-L235 HydrophobicContact CD1-CD1 3.5Å; I187-A238 HydrophobicContact CD1-CB 3.79Å
188G84Confident83.6Confident7 Ų763.5 Ų63.57%0.07234%0.338CS..  trans-87.9117.617400000111.3T360G188-T360 WeakPolarHBondContact O-CG2 3.34Å
189G85.9Confident84.9Confident11 Ų1159.2 Ų59.211%0.11332%0.32CS..SBendtrans70.5-151.7177.700000113.2D191 I194G189-D191 PolarHBondContact O-N 3.4Å; G189-I194 WeakPolarHBondContact O-CD1 3.44Å
190L84.5Confident86Confident27 Ų2756 Ų5614%0.14129%0.293CS..  trans56.932.9-175.6-61.4169.5000113.4N192 Q193 I194 F353 P354L190-N192 PolarHBondContact O-N 3.5Å; L190-Q193 VanDerWaalsContact CA-OE1 3.3Å; L190-Q193 HydrophobicContact CB-CB 4.3Å; L190-Q193 HydrophobicContact CD2-CG 4.35Å; L190-Q193 PolarHBondContact O-N 2.77Å; L190-Q193 VanDerWaalsContact O-N 3.11Å; L190-Q193 PolarHBondContact O-OE1 2.9Å; L190-I194 VanDerWaalsContact O-CG1 3.3Å; L190-I194 WeakPolarHBondContact O-CG1 3.32Å; L190-I194 PolarHBondContact O-N 3.29Å; L190-F353 HydrophobicContact CD1-CD1 3.75Å; L190-F353 HydrophobicContact CD1-CE1 3.98Å; L190-P354 HydrophobicContact CD2-CG 4.41Å
191D87.7Confident86.7Confident119 Ų11955 Ų5564%0.63629%0.287SS*.Hα-helixtrans-57.9-37.8-174.4-62-56.1000112.3G189 I194 Q195G189-D191 PolarHBondContact O-N 3.4Å; D191-I194 PolarHBondContact O-N 3.11Å; D191-Q195 WeakPolarHBondContact O-CB 3.49Å; D191-Q195 PolarHBondContact O-N 2.89Å
192N90.4Very high87.1Confident116 Ų11648.2 Ų48.262%0.6226%0.256SS*.Hα-helixtrans-64.6-46.9177.2-65-6.6000111.4L190 I194 Q195 E196L190-N192 PolarHBondContact O-N 3.5Å; N192-I194 VanDerWaalsContact C-N 3.35Å; N192-Q195 WeakPolarHBondContact O-CB 3.38Å; N192-Q195 PolarHBondContact O-N 2.99Å; N192-E196 WeakPolarHBondContact O-CG 3.49Å; N192-E196 PolarHBondContact O-N 3.24Å
193Q90.5Very high87.3Confident34 Ų3447.3 Ų47.316%0.15925%0.253CS..Hα-helixtrans-66.6-37.8178.9-6779.23.300111.7L190 Q195 E196 I197 I351 E352L190-Q193 VanDerWaalsContact CA-OE1 3.3Å; L190-Q193 HydrophobicContact CB-CB 4.3Å; L190-Q193 HydrophobicContact CD2-CG 4.35Å; L190-Q193 PolarHBondContact O-N 2.77Å; L190-Q193 VanDerWaalsContact O-N 3.11Å; L190-Q193 PolarHBondContact O-OE1 2.9Å; Q193-Q195 VanDerWaalsContact C-N 3.32Å; Q193-E196 PolarHBondContact O-N 3.43Å; Q193-I197 PolarHBondContact O-N 2.8Å; Q193-I351 HydrophobicContact CB-CG2 3.67Å; Q193-I351 HydrophobicContact CG-CG2 3.56Å; Q193-E352 WeakPolarHBondContact CG-O 3.19Å; Q193-E352 PolarHBondContact NE2-O 2.8Å
194I90Very high87.3Confident16 Ų1645.4 Ų45.48%0.08224%0.241CC..Hα-helixtrans-62.6-42.4173.4-67.1165.8000109.8Y184 I187 G189 L190 D191 N192 I197 K198 L235Y184-I194 HydrophobicContact CD1-CG2 3.85Å; Y184-I194 HydrophobicContact CE1-CG2 3.99Å; I187-I194 HydrophobicContact CB-CD1 4.25Å; I187-I194 HydrophobicContact CG2-CD1 4.03Å; G189-I194 WeakPolarHBondContact O-CD1 3.44Å; L190-I194 VanDerWaalsContact O-CG1 3.3Å; L190-I194 WeakPolarHBondContact O-CG1 3.32Å; L190-I194 PolarHBondContact O-N 3.29Å; D191-I194 PolarHBondContact O-N 3.11Å; N192-I194 VanDerWaalsContact C-N 3.35Å; I194-I197 WeakPolarHBondContact O-CG2 3.11Å; I194-K198 HydrophobicContact CG2-CD 3.97Å; I194-K198 HydrophobicContact CG2-CG 4.39Å; I194-K198 WeakPolarHBondContact O-CB 3.49Å; I194-K198 WeakPolarHBondContact O-CG 3.34Å; I194-K198 PolarHBondContact O-N 2.85Å; I194-L235 HydrophobicContact CB-CD1 4.47Å; I194-L235 HydrophobicContact CG1-CD1 3.63Å
195Q91.1Very high87.1Confident110 Ų11046 Ų4651%0.51425%0.246SC..Hα-helixtrans-63.9-46.4177.1-175.9174.5-9.700111.4D191 N192 Q193 I197 K198 E199D191-Q195 WeakPolarHBondContact O-CB 3.49Å; D191-Q195 PolarHBondContact O-N 2.89Å; N192-Q195 WeakPolarHBondContact O-CB 3.38Å; N192-Q195 PolarHBondContact O-N 2.99Å; Q193-Q195 VanDerWaalsContact C-N 3.32Å; Q195-I197 PolarHBondContact O-N 2.96Å; Q195-K198 WeakPolarHBondContact O-CB 3.4Å; Q195-K198 PolarHBondContact O-N 2.9Å; Q195-E199 HydrophobicContact CG-CG 4.47Å; Q195-E199 VanDerWaalsContact CG-OE1 3.32Å; Q195-E199 WeakPolarHBondContact CG-OE1 3.24Å; Q195-E199 PolarHBondContact NE2-OE1 3.45Å; Q195-E199 WeakPolarHBondContact O-CG 3.45Å; Q195-E199 PolarHBondContact O-N 2.92Å
196E91Very high87Confident80 Ų8045.7 Ų45.737%0.37424%0.236SC..Hα-helixtrans-60.5-42178.7-73.9-176.8-160.300112.9N192 Q193 S200 I351N192-E196 WeakPolarHBondContact O-CG 3.49Å; N192-E196 PolarHBondContact O-N 3.24Å; Q193-E196 PolarHBondContact O-N 3.43Å; E196-S200 WeakPolarHBondContact O-CB 3.28Å; E196-S200 PolarHBondContact O-N 2.96Å; E196-S200 VanDerWaalsContact O-N 3.15Å; E196-S200 PolarHBondContact O-OG 3Å; E196-I351 HydrophobicContact CB-CD1 3.98Å; E196-I351 HydrophobicContact CB-CG1 4.39Å
197I90.6Very high87.1Confident0 Ų047.6 Ų47.60%024%0.244CC..Hα-helixtrans-70.2-36.1178.5-155.8167.8000111.6Q193 I194 Q195 S200 V201 L224 L235 V239 I351Q193-I197 PolarHBondContact O-N 2.8Å; I194-I197 WeakPolarHBondContact O-CG2 3.11Å; Q195-I197 PolarHBondContact O-N 2.96Å; I197-S200 PolarHBondContact O-N 2.89Å; I197-V201 HydrophobicContact CG1-CG2 4.17Å; I197-V201 WeakPolarHBondContact O-CB 3.48Å; I197-V201 PolarHBondContact O-N 3.43Å; I197-L224 HydrophobicContact CD1-CD1 4.17Å; I197-L224 HydrophobicContact CD1-CD2 3.81Å; I197-L235 HydrophobicContact CB-CD2 4.3Å; I197-L235 HydrophobicContact CD1-CD2 3.81Å; I197-L235 HydrophobicContact CD1-CG 4.06Å; I197-L235 HydrophobicContact CG2-CD1 4.19Å; I197-L235 HydrophobicContact CG2-CD2 3.85Å; I197-L235 HydrophobicContact CG2-CG 4.1Å; I197-V239 HydrophobicContact CD1-CG2 4.07Å; I197-V239 HydrophobicContact CG1-CG2 4.22Å; I197-V239 HydrophobicContact CG2-CG2 3.69Å; I197-I351 HydrophobicContact CB-CD1 3.8Å; I197-I351 HydrophobicContact CG1-CD1 4.24Å
198K89.3Confident87Confident69 Ų6949.4 Ų49.430%0.326%0.257SS..Iπ-helixtrans-62.7-47.5175.3-78.9179.1171.9-172.50111.6Y184 I194 Q195 S200 E202 L203Y184-K198 HydrophobicContact CE1-CG 4.44Å; Y184-K198 HydrophobicContact CE2-CD 4.41Å; Y184-K198 WeakPolarHBondContact OH-CG 3.18Å; I194-K198 HydrophobicContact CG2-CD 3.97Å; I194-K198 HydrophobicContact CG2-CG 4.39Å; I194-K198 WeakPolarHBondContact O-CB 3.49Å; I194-K198 WeakPolarHBondContact O-CG 3.34Å; I194-K198 PolarHBondContact O-N 2.85Å; Q195-K198 WeakPolarHBondContact O-CB 3.4Å; Q195-K198 PolarHBondContact O-N 2.9Å; K198-S200 PolarHBondContact O-N 2.87Å; K198-E202 WeakPolarHBondContact O-CA 3.37Å; K198-E202 WeakPolarHBondContact O-CB 3.5Å; K198-E202 PolarHBondContact O-N 3.45Å; K198-L203 PolarHBondContact O-N 3.01Å
199E88Confident87.2Confident83 Ų8355.2 Ų55.239%0.38828%0.282SS..Iπ-helixtrans-62.3-27.6176.6-71.4174.5-168.700112.2Q195 Y211Q195-E199 HydrophobicContact CG-CG 4.47Å; Q195-E199 VanDerWaalsContact CG-OE1 3.32Å; Q195-E199 WeakPolarHBondContact CG-OE1 3.24Å; Q195-E199 PolarHBondContact NE2-OE1 3.45Å; Q195-E199 WeakPolarHBondContact O-CG 3.45Å; Q195-E199 PolarHBondContact O-N 2.92Å; E199-Y211 PolarHBondContact O-OH 2.93Å
200S86.5Confident87.4Confident5 Ų560.7 Ų60.74%0.03530%0.301CS..Iπ-helixtrans-89.5-34-176.9-54.40000114E196 I197 K198 P204 R349E196-S200 WeakPolarHBondContact O-CB 3.28Å; E196-S200 PolarHBondContact O-N 2.96Å; E196-S200 VanDerWaalsContact O-N 3.15Å; E196-S200 PolarHBondContact O-OG 3Å; I197-S200 PolarHBondContact O-N 2.89Å; K198-S200 PolarHBondContact O-N 2.87Å; S200-P204 WeakPolarHBondContact O-CG 3.46Å; S200-R349 WeakPolarHBondContact OG-CG 3.38Å
201V85.8Confident87.5Confident2 Ų260.7 Ų60.71%0.01230%0.299CS..Iπ-helixtrans-113.6-46-171.9-177.60000112.1I197 L205 V222 V239 I281 K326 I328I197-V201 HydrophobicContact CG1-CG2 4.17Å; I197-V201 WeakPolarHBondContact O-CB 3.48Å; I197-V201 PolarHBondContact O-N 3.43Å; V201-L205 WeakPolarHBondContact O-CD1 3.44Å; V201-L205 WeakPolarHBondContact O-CG 3.44Å; V201-V222 HydrophobicContact CG2-CG2 4.05Å; V201-V239 HydrophobicContact CB-CG1 4.1Å; V201-V239 HydrophobicContact CG1-CG1 3.8Å; V201-I281 HydrophobicContact CG1-CD1 3.64Å; V201-I281 HydrophobicContact CG1-CG1 4.13Å; V201-K326 HydrophobicContact CG1-CB 4.29Å; V201-K326 HydrophobicContact CG1-CG 4.45Å; V201-I328 HydrophobicContact CG1-CD1 4.49Å; V201-I328 HydrophobicContact CG2-CD1 4.14Å; V201-I328 HydrophobicContact CG2-CG1 4.25Å
202E86Confident87.4Confident43 Ų4362.4 Ų62.420%0.20130%0.303CS..Iπ-helixtrans-80.8-39.5-175.1-174.1179.2148.400111.7Y184 K198 L205 T206 T243Y184-E202 PolarHBondContact OH-OE2 3.21Å; K198-E202 WeakPolarHBondContact O-CA 3.37Å; K198-E202 WeakPolarHBondContact O-CB 3.5Å; K198-E202 PolarHBondContact O-N 3.45Å; E202-L205 PolarHBondContact O-N 3.47Å; E202-T206 HydrophobicContact CG-CG2 4.08Å; E202-T206 WeakPolarHBondContact O-CB 3.46Å; E202-T206 WeakPolarHBondContact O-CG2 3.32Å; E202-T206 PolarHBondContact O-N 3.43Å; E202-T206 PolarHBondContact O-OG1 2.9Å; E202-T243 HydrophobicContact CB-CG2 3.93Å; E202-T243 HydrophobicContact CG-CG2 3.96Å
203L86.1Confident87.5Confident55 Ų5564.8 Ų64.829%0.28831%0.31SS..Hα-helixtrans-64.7-44.6-176.9-16666.5000113.2K198 L205 T206 H207 Y210 Y211K198-L203 PolarHBondContact O-N 3.01Å; L203-L205 PolarHBondContact O-N 3.29Å; L203-T206 PolarHBondContact O-N 3.02Å; L203-T206 PolarHBondContact O-OG1 3.46Å; L203-H207 CarbonylContact O-C 3.46Å; L203-H207 PolarHBondContact O-N 3.3Å; L203-Y210 HydrophobicContact CD1-CD2 4.13Å; L203-Y210 HydrophobicContact CD1-CE2 4.45Å; L203-Y211 HydrophobicContact CB-CE2 4.41Å; L203-Y211 HydrophobicContact CD2-CE2 4.29Å; L203-Y211 HydrophobicContact CG-CE2 4.08Å
204P85.2Confident87.5Confident6 Ų669.8 Ų69.84%0.03934%0.335CS..Hα-helixtrans-61.8-31.8175.6-23.534.3000113.7S200 Y211 P218S200-P204 WeakPolarHBondContact O-CG 3.46Å; P204-Y211 HydrophobicContact CB-CE2 4.11Å; P204-Y211 HydrophobicContact CG-CE2 3.81Å; P204-P218 HydrophobicContact CB-CB 3.98Å; P204-P218 HydrophobicContact CG-CB 4.08Å
205L82.4Confident87.3Confident39 Ų3972.3 Ų72.320%0.20437%0.366CS..Hα-helixtrans-81.3-33.2-178.2-67.6177.4000112.7V201 E202 L203 T243 A245 P279 I281 D324V201-L205 WeakPolarHBondContact O-CD1 3.44Å; V201-L205 WeakPolarHBondContact O-CG 3.44Å; E202-L205 PolarHBondContact O-N 3.47Å; L203-L205 PolarHBondContact O-N 3.29Å; L205-T243 HydrophobicContact CD1-CG2 4.07Å; L205-A245 HydrophobicContact CD1-CB 4.24Å; L205-P279 HydrophobicContact CD2-CB 3.57Å; L205-I281 HydrophobicContact CD1-CD1 4.35Å; L205-I281 HydrophobicContact CD1-CG1 4.47Å; L205-D324 HydrophobicContact CD2-CB 4.13Å
206T83.2Confident87.1Confident69 Ų6971.4 Ų71.442%0.42336%0.363SS..Hα-helixtrans-86.9-38.6-177.753.50000112.6E202 L203E202-T206 HydrophobicContact CG-CG2 4.08Å; E202-T206 WeakPolarHBondContact O-CB 3.46Å; E202-T206 WeakPolarHBondContact O-CG2 3.32Å; E202-T206 PolarHBondContact O-N 3.43Å; E202-T206 PolarHBondContact O-OG1 2.9Å; L203-T206 PolarHBondContact O-N 3.02Å; L203-T206 PolarHBondContact O-OG1 3.46Å
207H85.3Confident86.8Confident84 Ų8475.6 Ų75.639%0.38938%0.38SS..  trans-141.276.1-174.7-58.687.6000110.7L203 E209 Y210L203-H207 CarbonylContact O-C 3.46Å; L203-H207 PolarHBondContact O-N 3.3Å; H207-E209 PolarHBondContact O-N 3.42Å; H207-Y210 HydrophobicContact CB-CD2 3.42Å; H207-Y210 VanDerWaalsContact CB-CD2 3.42Å; H207-Y210 HydrophobicContact CB-CE2 3.54Å; H207-Y210 HydrophobicContact CB-CG 4.27Å; H207-Y210 AromaticContact CG-CE2 3.68Å; H207-Y210 PolarHBondContact O-N 2.82Å
208P83.8Confident86.5Confident63 Ų6378.1 Ų78.141%0.40940%0.397SS..THydrogen-bonded Turntrans-61.7-28.4175.125.2-33.9000112.3Y210 Y211 E212P208-Y210 PolarHBondContact O-N 3.02Å; P208-Y211 PolarHBondContact O-N 3.38Å; P208-E212 PolarHBondContact O-N 3.14Å
209E88.6Confident86.2Confident128 Ų12875.8 Ų75.860%0.59839%0.389SS*.Hα-helixtrans-52.6-38.5179.8-59.1178.7-172.800112.8H207 Y211 E212 E213H207-E209 PolarHBondContact O-N 3.42Å; E209-Y211 VanDerWaalsContact C-N 3.26Å; E209-Y211 PolarHBondContact O-N 3.1Å; E209-E212 PolarHBondContact O-N 3.38Å; E209-E213 WeakPolarHBondContact O-CG 3.02Å; E209-E213 PolarHBondContact O-N 2.95Å
210Y89.2Confident85.9Confident127 Ų12775.1 Ų75.150%0.49839%0.385SS..Hα-helixtrans-64-30.8179.2-66.2-37.7000113.3L203 H207 P208 M214L203-Y210 HydrophobicContact CD1-CD2 4.13Å; L203-Y210 HydrophobicContact CD1-CE2 4.45Å; H207-Y210 HydrophobicContact CB-CD2 3.42Å; H207-Y210 VanDerWaalsContact CB-CD2 3.42Å; H207-Y210 HydrophobicContact CB-CE2 3.54Å; H207-Y210 HydrophobicContact CB-CG 4.27Å; H207-Y210 AromaticContact CG-CE2 3.68Å; H207-Y210 PolarHBondContact O-N 2.82Å; P208-Y210 PolarHBondContact O-N 3.02Å; Y210-M214 VanDerWaalsContact O-CB 3.28Å; Y210-M214 WeakPolarHBondContact O-CB 3.02Å; Y210-M214 PolarHBondContact O-N 3.45Å
211Y86.5Confident85.9Confident27 Ų2775 Ų7511%0.10638%0.384CS..Hα-helixtrans-79.1-37176.9-68.8-88.1000111.3E199 L203 P204 P208 E209 G215 I216 P218E199-Y211 PolarHBondContact O-OH 2.93Å; L203-Y211 HydrophobicContact CB-CE2 4.41Å; L203-Y211 HydrophobicContact CD2-CE2 4.29Å; L203-Y211 HydrophobicContact CG-CE2 4.08Å; P204-Y211 HydrophobicContact CB-CE2 4.11Å; P204-Y211 HydrophobicContact CG-CE2 3.81Å; P208-Y211 PolarHBondContact O-N 3.38Å; E209-Y211 VanDerWaalsContact C-N 3.26Å; E209-Y211 PolarHBondContact O-N 3.1Å; Y211-G215 PolarHBondContact O-N 3.4Å; Y211-I216 HydrophobicContact CD1-CD1 3.87Å; Y211-I216 HydrophobicContact CD1-CG1 3.93Å; Y211-I216 HydrophobicContact CE1-CD1 4.18Å; Y211-I216 PolarHBondContact O-N 2.84Å; Y211-I216 VanDerWaalsContact O-N 3.12Å; Y211-P218 HydrophobicContact CD1-CB 3.91Å; Y211-P218 HydrophobicContact CD2-CB 4.47Å; Y211-P218 HydrophobicContact CE1-CB 4.11Å; Y211-P218 HydrophobicContact CG-CB 4.12Å
212E85.9Confident86.1Confident155 Ų15575 Ų7572%0.72438%0.384SS*.Hα-helixtrans-66.6-47177-66.2-173.3172.600112.1P208 E209 M214 G215P208-E212 PolarHBondContact O-N 3.14Å; E209-E212 PolarHBondContact O-N 3.38Å; E212-M214 VanDerWaalsContact C-N 3.3Å; E212-M214 PolarHBondContact O-N 2.95Å; E212-G215 PolarHBondContact O-N 3.48Å; E212-G215 VanDerWaalsContact O-N 3.09Å
213E91.6Very high86.3Confident165 Ų16573 Ų7377%0.77138%0.375SS*.Hα-helixtrans-62.6-37.9177.6-73.3-171161.500112.3E209 G215E209-E213 WeakPolarHBondContact O-CG 3.02Å; E209-E213 PolarHBondContact O-N 2.95Å; E213-G215 VanDerWaalsContact C-N 3.29Å
214M90.6Very high86.6Confident139 Ų13970.4 Ų70.469%0.68536%0.361SS*.Hα-helixtrans-78.4-15.8177.6-169.465.4-162.900112.4Y210 E212 I216Y210-M214 VanDerWaalsContact O-CB 3.28Å; Y210-M214 WeakPolarHBondContact O-CB 3.02Å; Y210-M214 PolarHBondContact O-N 3.45Å; E212-M214 VanDerWaalsContact C-N 3.3Å; E212-M214 PolarHBondContact O-N 2.95Å; M214-I216 VanDerWaalsContact C-N 3.28Å; M214-I216 HydrophobicContact CB-CG1 3.98Å; M214-I216 HydrophobicContact CG-CD1 4.15Å; M214-I216 HydrophobicContact CG-CG1 3.9Å; M214-I216 HydrophobicContact CG-CG2 4.11Å; M214-I216 PolarHBondContact O-N 3.26Å
215G87.3Confident87Confident70 Ų7072.4 Ų72.472%0.72237%0.368SS*.THydrogen-bonded Turntrans68.623.5-178.700000114.1Y211 E212 E213Y211-G215 PolarHBondContact O-N 3.4Å; E212-G215 PolarHBondContact O-N 3.48Å; E212-G215 VanDerWaalsContact O-N 3.09Å; E213-G215 VanDerWaalsContact C-N 3.29Å
216I87.3Confident87.4Confident91 Ų9171.1 Ų71.147%0.46736%0.364SS..  trans-105.2141.717956.3163.2000110.4Y211 M214Y211-I216 HydrophobicContact CD1-CD1 3.87Å; Y211-I216 HydrophobicContact CD1-CG1 3.93Å; Y211-I216 HydrophobicContact CE1-CD1 4.18Å; Y211-I216 PolarHBondContact O-N 2.84Å; Y211-I216 VanDerWaalsContact O-N 3.12Å; M214-I216 VanDerWaalsContact C-N 3.28Å; M214-I216 HydrophobicContact CB-CG1 3.98Å; M214-I216 HydrophobicContact CG-CD1 4.15Å; M214-I216 HydrophobicContact CG-CG1 3.9Å; M214-I216 HydrophobicContact CG-CG2 4.11Å; M214-I216 PolarHBondContact O-N 3.26Å
217K82.6Confident87.6Confident168 Ų16870 Ų7073%0.7336%0.358SS*.PPolyproline II helixtrans-70.9134.5172.7-67.1-172.7177.2-171.80109.3
218P84.4Confident87.6Confident53 Ų5370.4 Ų70.434%0.34437%0.368SS..PPolyproline II helixtrans-63.8148.2175.727.7-34.5000110.2P204 Y211P204-P218 HydrophobicContact CB-CB 3.98Å; P204-P218 HydrophobicContact CG-CB 4.08Å; Y211-P218 HydrophobicContact CD1-CB 3.91Å; Y211-P218 HydrophobicContact CD2-CB 4.47Å; Y211-P218 HydrophobicContact CE1-CB 4.11Å; Y211-P218 HydrophobicContact CG-CB 4.12Å
219P83.9Confident87.7Confident20 Ų2068.9 Ų68.913%0.1336%0.364CS..PPolyproline II helixtrans-61.5140.7176.926.1-33.1000110.4K326 D348P219-K326 PolarHBondContact O-NZ 3.41Å; P219-D348 WeakPolarHBondContact CA-OD2 2.95Å; P219-D348 HydrophobicContact CB-CB 3.75Å
220K81.2Confident87.5Confident69 Ų6963.5 Ų63.530%0.334%0.34SS..  trans-90.1-42.1-177.1-64.6-171.1-178.7-170.10112.3F319 V327 D348K220-F319 PolarHBondContact NZ-O 3.16Å; K220-V327 PolarHBondContact O-N 3.26Å; K220-D348 PolarHBondContact N-OD2 2.85Å
221G86.1Confident87.3Confident2 Ų259 Ų592%0.02133%0.332CS..EExtended strand (participates in β ladder)trans-141.2146.7-169.600000114.6V327 D348 R349G221-V327 VanDerWaalsContact CA-O 3.29Å; G221-V327 WeakPolarHBondContact CA-O 3.2Å; G221-D348 PolarHBondContact O-N 2.91Å; G221-D348 VanDerWaalsContact O-N 3.12Å; G221-R349 PolarHBondContact O-N 2.95Å
222V90Very high87.4Confident3 Ų358.2 Ų58.22%0.01833%0.329CS..EExtended strand (participates in β ladder)trans-124.2130.5177.2-174.10000109.8V201 L224 V327 I328 M329 R349 I351V201-V222 HydrophobicContact CG2-CG2 4.05Å; V222-L224 HydrophobicContact CG1-CD2 3.88Å; V222-V327 PolarHBondContact N-O 2.95Å; V222-I328 WeakPolarHBondContact O-CA 3.37Å; V222-M329 PolarHBondContact O-N 3.17Å; V222-R349 WeakPolarHBondContact CA-O 3.43Å; V222-R349 HydrophobicContact CG1-CB 4.31Å; V222-R349 HydrophobicContact CG2-CB 4.31Å; V222-I351 HydrophobicContact CG1-CD1 3.59Å; V222-I351 HydrophobicContact CG1-CG1 3.92Å
223I91.6Very high87.4Confident1 Ų152.8 Ų52.81%0.00531%0.307CS..EExtended strand (participates in β ladder)trans-99.9131.8166.5-76.4174000109.8Y225 M329 T331 I347 R349 I351I223-Y225 HydrophobicContact CG2-CD1 4.13Å; I223-M329 CarbonylContact C-O 3.55Å; I223-M329 WeakPolarHBondContact CA-O 3.25Å; I223-M329 HydrophobicContact CG1-CB 3.99Å; I223-M329 HydrophobicContact CG1-SD 4.47Å; I223-T331 HydrophobicContact CG2-CG2 4.13Å; I223-I347 HydrophobicContact CB-CG2 4.15Å; I223-I347 HydrophobicContact CD1-CB 4.47Å; I223-I347 HydrophobicContact CD1-CD1 3.16Å; I223-I347 HydrophobicContact CD1-CG1 4.32Å; I223-I347 HydrophobicContact CD1-CG2 3.9Å; I223-I347 HydrophobicContact CG1-CD1 3.56Å; I223-I347 HydrophobicContact CG1-CG1 4.48Å; I223-I347 HydrophobicContact CG1-CG2 3.69Å; I223-R349 PolarHBondContact N-O 2.96Å; I223-I351 PolarHBondContact O-N 2.6Å
224L92.8Very high87.3Confident0 Ų047.7 Ų47.70%029%0.285CS..EExtended strand (participates in β ladder)trans-104.8117.9168.8-50.2-176.6000109.1I197 V222 K232 A236 I328 M329 A330 T331 I351 F353I197-L224 HydrophobicContact CD1-CD1 4.17Å; I197-L224 HydrophobicContact CD1-CD2 3.81Å; V222-L224 HydrophobicContact CG1-CD2 3.88Å; L224-K232 HydrophobicContact CB-CB 4.2Å; L224-K232 HydrophobicContact CB-CD 4.3Å; L224-K232 HydrophobicContact CB-CG 4.35Å; L224-K232 HydrophobicContact CD1-CB 4.39Å; L224-A236 HydrophobicContact CD1-CB 4.49Å; L224-I328 HydrophobicContact CD1-CG2 3.82Å; L224-I328 HydrophobicContact CG-CG2 4.05Å; L224-M329 PolarHBondContact N-O 3.24Å; L224-A330 WeakPolarHBondContact O-CA 3.5Å; L224-T331 PolarHBondContact O-N 2.93Å; L224-I351 HydrophobicContact CD2-CB 3.96Å; L224-I351 HydrophobicContact CD2-CD1 3.99Å; L224-I351 HydrophobicContact CD2-CG1 4.34Å; L224-F353 HydrophobicContact CB-CD2 4.38Å; L224-F353 HydrophobicContact CB-CE2 3.65Å; L224-F353 HydrophobicContact CB-CZ 4.38Å; L224-F353 HydrophobicContact CD1-CE2 4.39Å; L224-F353 HydrophobicContact CD1-CZ 4.34Å; L224-F353 HydrophobicContact CD2-CE2 3.78Å; L224-F353 HydrophobicContact CD2-CZ 4.17Å; L224-F353 HydrophobicContact CG-CE2 4.12Å
225Y92.6Very high87.2Confident47 Ų4741.2 Ų41.218%0.18425%0.253CS..EExtended strand (participates in β ladder)trans-134.8158.3-178.972.4-80000113.2I223 T331 I334 K350 I351 E352 F353I223-Y225 HydrophobicContact CG2-CD1 4.13Å; Y225-T331 WeakPolarHBondContact CA-O 3.24Å; Y225-I334 HydrophobicContact CD1-CD1 3.84Å; Y225-I334 HydrophobicContact CD2-CB 3.97Å; Y225-I334 HydrophobicContact CD2-CD1 4.04Å; Y225-I334 HydrophobicContact CD2-CG2 3.78Å; Y225-I334 HydrophobicContact CE1-CD1 4.06Å; Y225-I334 HydrophobicContact CE2-CD1 4.23Å; Y225-I334 HydrophobicContact CE2-CG2 4.12Å; Y225-I334 HydrophobicContact CG-CB 4.11Å; Y225-I334 HydrophobicContact CG-CD1 3.82Å; Y225-I334 HydrophobicContact CG-CG2 4.42Å; Y225-K350 HydrophobicContact CE1-CB 3.92Å; Y225-I351 VanDerWaalsContact CD1-O 3.23Å; Y225-I351 WeakPolarHBondContact CD1-O 3.47Å; Y225-I351 PolarHBondContact N-O 2.86Å; Y225-E352 HydrophobicContact CD2-CG 4.25Å; Y225-E352 HydrophobicContact CE1-CB 3.95Å; Y225-E352 HydrophobicContact CE2-CB 3.88Å; Y225-E352 HydrophobicContact CE2-CG 3.64Å; Y225-F353 WeakPolarHBondContact O-CD2 3.19Å; Y225-F353 PolarHBondContact O-N 2.89Å
226G89.9Confident87.2Confident12 Ų1237.9 Ų37.912%0.12422%0.218CC..SBendtrans147.3-174.4-175.600000113.9K232 N332G226-K232 VanDerWaalsContact C-NZ 3.3Å; G226-K232 VanDerWaalsContact N-CE 3.27Å; G226-K232 VanDerWaalsContact N-NZ 3.11Å; G226-K232 PolarHBondContact O-NZ 2.78Å; G226-N332 CarbonylContact O-C 3.54Å
227P87.6Confident87.1Confident46 Ų4636.3 Ų36.330%0.29921%0.208SC..SBendtrans-67.6157.2176.422.5-20.8000111.9T230 F353 L355P227-T230 HydrophobicContact CG-CG2 3.76Å; P227-T230 PolarHBondContact O-OG1 3.37Å; P227-F353 WeakPolarHBondContact CD-O 3.45Å; P227-L355 HydrophobicContact CB-CD2 4.49Å; P227-L355 HydrophobicContact CG-CD2 3.89Å; P227-L355 HydrophobicContact CG-CG 4.09Å
228P86.9Confident87.3Confident92 Ų9228.3 Ų28.360%0.59717%0.174SC*.THydrogen-bonded Turntrans-64.8150175.128.6-34.8000110.9
229G84.6Confident87.4Confident32 Ų3225.8 Ų25.833%0.3316%0.157SC..THydrogen-bonded Turntrans81.49.6176.700000116G392 A393G229-G392 WeakPolarHBondContact O-CA 3.5Å; G229-G392 PolarHBondContact O-N 3.33Å; G229-A393 PolarHBondContact O-N 2.78Å
230T85.6Confident87.5Confident15 Ų1525.1 Ų25.19%0.09215%0.153CC..SBendtrans-86.6-4.2173.952.20000114.4P227 F353P227-T230 HydrophobicContact CG-CG2 3.76Å; P227-T230 PolarHBondContact O-OG1 3.37Å; T230-F353 HydrophobicContact CG2-CB 4.4Å; T230-F353 WeakPolarHBondContact OG1-CB 3.37Å
231G84.9Confident87.7Confident32 Ų3224.1 Ų24.133%0.3315%0.151SC..  trans91.421.417300000116T233 L234 L235G231-T233 PolarHBondContact O-N 2.81Å; G231-L234 CarbonylContact O-C 3.52Å; G231-L234 WeakPolarHBondContact O-CA 3.41Å; G231-L234 WeakPolarHBondContact O-CB 3.32Å; G231-L234 PolarHBondContact O-N 2.88Å; G231-L235 PolarHBondContact O-N 3.11Å
232K88Confident87.7Confident10 Ų1028.4 Ų28.44%0.04317%0.171CC..Hα-helixtrans-53.2-50.4177-56.2178.4-160155.30113.3L224 G226 L234 L235 A236 T331 N332 F353L224-K232 HydrophobicContact CB-CB 4.2Å; L224-K232 HydrophobicContact CB-CD 4.3Å; L224-K232 HydrophobicContact CB-CG 4.35Å; L224-K232 HydrophobicContact CD1-CB 4.39Å; G226-K232 VanDerWaalsContact C-NZ 3.3Å; G226-K232 VanDerWaalsContact N-CE 3.27Å; G226-K232 VanDerWaalsContact N-NZ 3.11Å; G226-K232 PolarHBondContact O-NZ 2.78Å; K232-L234 PolarHBondContact O-N 3.22Å; K232-L235 PolarHBondContact O-N 3.32Å; K232-A236 PolarHBondContact O-N 3.21Å; K232-A236 VanDerWaalsContact O-N 3.12Å; K232-T331 PolarHBondContact NZ-O 3.24Å; K232-N332 PolarHBondContact NZ-OD1 2.95Å; K232-F353 HydrophobicContact CB-CZ 4.47Å; K232-F353 HydrophobicContact CD-CD2 4.31Å; K232-F353 HydrophobicContact CG-CB 4.42Å; K232-F353 HydrophobicContact CG-CD1 4.09Å; K232-F353 HydrophobicContact CG-CD2 3.74Å; K232-F353 HydrophobicContact CG-CE1 4.27Å; K232-F353 HydrophobicContact CG-CE2 3.95Å; K232-F353 HydrophobicContact CG-CG 3.81Å; K232-F353 HydrophobicContact CG-CZ 4.18Å
233T86.3Confident87.2Confident42 Ų4229.4 Ų29.426%0.25818%0.177SC..Hα-helixtrans-63.6-30.1176.6-450000111.9G231 K237 F283 D285G231-T233 PolarHBondContact O-N 2.81Å; T233-K237 VanDerWaalsContact O-CG 3.32Å; T233-K237 WeakPolarHBondContact O-CG 3.42Å; T233-K237 PolarHBondContact O-N 2.84Å; T233-F283 HydrophobicContact CG2-CE1 3.96Å; T233-F283 HydrophobicContact CG2-CZ 4.1Å; T233-D285 WeakPolarHBondContact CG2-OD2 3.4Å; T233-D285 PolarHBondContact OG1-OD2 2.84Å
234L88.2Confident86.6Confident57 Ų5734.8 Ų34.830%0.29822%0.215SC..Hα-helixtrans-73.7-41178.1-165.5156.6000110.6E182 I187 G231 K232 K237 A238E182-L234 HydrophobicContact CG-CG 4.47Å; I187-L234 HydrophobicContact CD1-CD2 3.69Å; I187-L234 HydrophobicContact CG1-CD2 3.42Å; I187-L234 VanDerWaalsContact CG1-CD2 3.42Å; G231-L234 CarbonylContact O-C 3.52Å; G231-L234 WeakPolarHBondContact O-CA 3.41Å; G231-L234 WeakPolarHBondContact O-CB 3.32Å; G231-L234 PolarHBondContact O-N 2.88Å; K232-L234 PolarHBondContact O-N 3.22Å; L234-K237 PolarHBondContact O-N 3.12Å; L234-A238 WeakPolarHBondContact O-CB 3.5Å; L234-A238 PolarHBondContact O-N 2.87Å
235L89.3Confident86.1Confident3 Ų335.5 Ų35.52%0.01622%0.22CC..Hα-helixtrans-60.7-47.1174.5-173.365.5000111.6Y184 I187 I194 I197 G231 K232 K237 A238 V239 F353Y184-L235 HydrophobicContact CE1-CD1 4.36Å; I187-L235 HydrophobicContact CD1-CB 4.26Å; I187-L235 HydrophobicContact CD1-CD1 3.5Å; I194-L235 HydrophobicContact CB-CD1 4.47Å; I194-L235 HydrophobicContact CG1-CD1 3.63Å; I197-L235 HydrophobicContact CB-CD2 4.3Å; I197-L235 HydrophobicContact CD1-CD2 3.81Å; I197-L235 HydrophobicContact CD1-CG 4.06Å; I197-L235 HydrophobicContact CG2-CD1 4.19Å; I197-L235 HydrophobicContact CG2-CD2 3.85Å; I197-L235 HydrophobicContact CG2-CG 4.1Å; G231-L235 PolarHBondContact O-N 3.11Å; K232-L235 PolarHBondContact O-N 3.32Å; L235-K237 VanDerWaalsContact C-N 3.29Å; L235-K237 PolarHBondContact O-N 3.33Å; L235-A238 PolarHBondContact O-N 3.24Å; L235-A238 VanDerWaalsContact O-N 3.12Å; L235-V239 WeakPolarHBondContact O-CG2 2.98Å; L235-V239 PolarHBondContact O-N 3.38Å; L235-F353 HydrophobicContact CB-CE1 4.47Å; L235-F353 HydrophobicContact CB-CZ 4.37Å; L235-F353 HydrophobicContact CD2-CE1 4.02Å; L235-F353 HydrophobicContact CD2-CZ 3.54Å
236A86.7Confident85.6Confident0 Ų035.2 Ų35.20%022%0.224CC..Hα-helixtrans-58.4-41.417800000112.4L224 K232 A240 F283 I328L224-A236 HydrophobicContact CD1-CB 4.49Å; K232-A236 PolarHBondContact O-N 3.21Å; K232-A236 VanDerWaalsContact O-N 3.12Å; A236-A240 PolarHBondContact O-N 2.92Å; A236-A240 VanDerWaalsContact O-N 3.13Å; A236-F283 HydrophobicContact CB-CD2 3.48Å; A236-F283 VanDerWaalsContact CB-CD2 3.48Å; A236-F283 HydrophobicContact CB-CE1 4.45Å; A236-F283 HydrophobicContact CB-CE2 3.37Å; A236-F283 HydrophobicContact CB-CG 4.09Å; A236-F283 HydrophobicContact CB-CZ 3.91Å; A236-I328 HydrophobicContact CB-CG2 4.3Å
237K85.6Confident85.5Confident59 Ų5935.3 Ų35.326%0.25722%0.22SC..Hα-helixtrans-66-40174.8-74.7175.2-179.4179.20112.7P180 T233 L234 L235 A240 N241P180-K237 HydrophobicContact CB-CB 3.85Å; P180-K237 HydrophobicContact CB-CG 4.21Å; P180-K237 HydrophobicContact CG-CB 4.28Å; P180-K237 WeakPolarHBondContact CG-O 3.36Å; T233-K237 VanDerWaalsContact O-CG 3.32Å; T233-K237 WeakPolarHBondContact O-CG 3.42Å; T233-K237 PolarHBondContact O-N 2.84Å; L234-K237 PolarHBondContact O-N 3.12Å; L235-K237 VanDerWaalsContact C-N 3.29Å; L235-K237 PolarHBondContact O-N 3.33Å; K237-A240 PolarHBondContact O-N 3.12Å; K237-N241 PolarHBondContact O-N 3.26Å; K237-N241 VanDerWaalsContact O-N 3.12Å
238A87.5Confident85.6Confident0 Ų033.1 Ų33.10%021%0.206CC..Hα-helixtrans-66.9-38178.500000112.4Y184 I187 L234 L235 N241 Q242Y184-A238 HydrophobicContact CD1-CB 4.14Å; Y184-A238 HydrophobicContact CE1-CB 4.37Å; I187-A238 HydrophobicContact CD1-CB 3.79Å; L234-A238 WeakPolarHBondContact O-CB 3.5Å; L234-A238 PolarHBondContact O-N 2.87Å; L235-A238 PolarHBondContact O-N 3.24Å; L235-A238 VanDerWaalsContact O-N 3.12Å; A238-N241 PolarHBondContact O-N 2.96Å; A238-Q242 WeakPolarHBondContact O-CG 3.42Å; A238-Q242 PolarHBondContact O-N 2.99Å
239V87.1Confident85.7Confident0 Ų033 Ų330%019%0.194CC..Hα-helixtrans-62.6-46.3174174.90000110.4Y184 I197 V201 L235 N241 Q242 T243Y184-V239 HydrophobicContact CE1-CG2 3.9Å; Y184-V239 WeakPolarHBondContact OH-CG2 3.42Å; I197-V239 HydrophobicContact CD1-CG2 4.07Å; I197-V239 HydrophobicContact CG1-CG2 4.22Å; I197-V239 HydrophobicContact CG2-CG2 3.69Å; V201-V239 HydrophobicContact CB-CG1 4.1Å; V201-V239 HydrophobicContact CG1-CG1 3.8Å; L235-V239 WeakPolarHBondContact O-CG2 2.98Å; L235-V239 PolarHBondContact O-N 3.38Å; V239-N241 VanDerWaalsContact C-N 3.3Å; V239-N241 PolarHBondContact O-N 3.03Å; V239-Q242 PolarHBondContact O-N 3.5Å; V239-T243 HydrophobicContact CG1-CG2 4.35Å; V239-T243 PolarHBondContact O-N 3.34Å; V239-T243 PolarHBondContact O-OG1 3.32Å
240A84.9Confident85.8Confident5 Ų531.5 Ų31.54%0.04118%0.178CC..Hα-helixtrans-61.1-36.5179.400000113.5P180 A236 K237 Q242 F247P180-A240 HydrophobicContact CG-CB 3.97Å; A236-A240 PolarHBondContact O-N 2.92Å; A236-A240 VanDerWaalsContact O-N 3.13Å; K237-A240 PolarHBondContact O-N 3.12Å; A240-Q242 PolarHBondContact O-N 2.92Å; A240-F247 HydrophobicContact CB-CB 4.03Å; A240-F247 HydrophobicContact CB-CD1 4.46Å; A240-F247 HydrophobicContact CB-CD2 3.3Å; A240-F247 HydrophobicContact CB-CE2 3.75Å; A240-F247 HydrophobicContact CB-CG 3.69Å; A240-F247 HydrophobicContact CB-CZ 4.5Å
241N85.5Confident86Confident48 Ų4832 Ų3226%0.25718%0.181SC..Hα-helixtrans-66.6-28.4176.1-169.322000112.4P180 E182 K237 A238 V239P180-N241 HydrophobicContact CG-CB 4.19Å; P180-N241 WeakPolarHBondContact O-CB 3.45Å; P180-N241 PolarHBondContact O-ND2 3.35Å; P180-N241 PolarHBondContact O-OD1 3.49Å; E182-N241 WeakPolarHBondContact O-CB 3.39Å; E182-N241 PolarHBondContact O-ND2 3.06Å; K237-N241 PolarHBondContact O-N 3.26Å; K237-N241 VanDerWaalsContact O-N 3.12Å; A238-N241 PolarHBondContact O-N 2.96Å; V239-N241 VanDerWaalsContact C-N 3.3Å; V239-N241 PolarHBondContact O-N 3.03Å
242Q85.3Confident86.1Confident93 Ų9330.5 Ų30.544%0.43517%0.166SC..Hα-helixtrans-89.4-35.1-174.3-72.8-89-3.800112.5Y184 A238 V239 A240 S244Y184-Q242 HydrophobicContact CD2-CB 4.44Å; Y184-Q242 HydrophobicContact CD2-CG 3.6Å; Y184-Q242 HydrophobicContact CE2-CB 3.68Å; Y184-Q242 HydrophobicContact CE2-CG 3.33Å; A238-Q242 WeakPolarHBondContact O-CG 3.42Å; A238-Q242 PolarHBondContact O-N 2.99Å; V239-Q242 PolarHBondContact O-N 3.5Å; A240-Q242 PolarHBondContact O-N 2.92Å; Q242-S244 VanDerWaalsContact C-N 3.29Å; Q242-S244 PolarHBondContact O-N 3.39Å
243T80.1Confident86Confident24 Ų2433 Ų3315%0.14718%0.184CC..Hα-helixtrans-77.4-11179.151.90000113.9E202 L205 V239 A245 I281E202-T243 HydrophobicContact CB-CG2 3.93Å; E202-T243 HydrophobicContact CG-CG2 3.96Å; L205-T243 HydrophobicContact CD1-CG2 4.07Å; V239-T243 HydrophobicContact CG1-CG2 4.35Å; V239-T243 PolarHBondContact O-N 3.34Å; V239-T243 PolarHBondContact O-OG1 3.32Å; T243-A245 PolarHBondContact O-N 3.14Å; T243-I281 HydrophobicContact CG2-CD1 4.34Å; T243-I281 VanDerWaalsContact OG1-CD1 3.25Å; T243-I281 WeakPolarHBondContact OG1-CD1 3.3Å
244S79Confident86Confident114 Ų11434.9 Ų34.980%0.79719%0.19SC*.  trans48.820.1-174.4-56.80000114.3Q242Q242-S244 VanDerWaalsContact C-N 3.29Å; Q242-S244 PolarHBondContact O-N 3.39Å
245A81.6Confident85.8Confident15 Ų1532.1 Ų32.112%0.12418%0.176CC..  trans-86.1160.6-179.200000110.5L205 T243 F247 I281L205-A245 HydrophobicContact CD1-CB 4.24Å; T243-A245 PolarHBondContact O-N 3.14Å; A245-F247 PolarHBondContact O-N 3.12Å; A245-F247 VanDerWaalsContact O-N 3.12Å; A245-I281 HydrophobicContact CB-CD1 4.26Å; A245-I281 HydrophobicContact CB-CG1 4.3Å
246T84Confident85.6Confident41 Ų4135 Ų3525%0.25219%0.191SC..EExtended strand (participates in β ladder)trans-64116.9177.3-550000109.5L248 H277 P279 S280 I281T246-L248 HydrophobicContact CG2-CD2 4.3Å; T246-H277 HydrophobicContact CG2-CB 3.88Å; T246-H277 PolarHBondContact OG1-O 3.43Å; T246-P279 PolarHBondContact N-O 3.15Å; T246-S280 CarbonylContact O-C 3.57Å; T246-S280 VanDerWaalsContact O-CA 3.31Å; T246-S280 WeakPolarHBondContact O-CA 3.45Å; T246-I281 PolarHBondContact O-N 2.91Å
247F87.7Confident85.5Confident13 Ų1338 Ų386%0.05721%0.205CC..EExtended strand (participates in β ladder)trans-98.5112.7180-175-107.7000110.9V176 A240 A245 R249 I281 F283V176-F247 HydrophobicContact CB-CD1 4.2Å; V176-F247 HydrophobicContact CG2-CD1 3.97Å; V176-F247 HydrophobicContact CG2-CE1 4.41Å; V176-F247 PolarHBondContact N-O 2.9Å; A240-F247 HydrophobicContact CB-CB 4.03Å; A240-F247 HydrophobicContact CB-CD1 4.46Å; A240-F247 HydrophobicContact CB-CD2 3.3Å; A240-F247 HydrophobicContact CB-CE2 3.75Å; A240-F247 HydrophobicContact CB-CG 3.69Å; A240-F247 HydrophobicContact CB-CZ 4.5Å; A245-F247 PolarHBondContact O-N 3.12Å; A245-F247 VanDerWaalsContact O-N 3.12Å; F247-R249 HydrophobicContact CD1-CB 4.35Å; F247-R249 HydrophobicContact CE1-CB 3.81Å; F247-R249 HydrophobicContact CE1-CG 4.48Å; F247-I281 HydrophobicContact CD2-CB 4.29Å; F247-I281 HydrophobicContact CD2-CG2 4.19Å; F247-I281 HydrophobicContact CE2-CG2 4.39Å; F247-F283 HydrophobicContact CD2-CB 4.45Å; F247-F283 HydrophobicContact CE1-CB 4.46Å; F247-F283 HydrophobicContact CE2-CB 3.42Å; F247-F283 VanDerWaalsContact CE2-CB 3.42Å; F247-F283 HydrophobicContact CE2-CG 4.12Å; F247-F283 HydrophobicContact CZ-CB 3.42Å; F247-F283 VanDerWaalsContact CZ-CB 3.42Å; F247-F283 AromaticContact CZ-CD1 3.78Å; F247-F283 HydrophobicContact CZ-CD1 3.78Å; F247-F283 AromaticContact CZ-CG 3.79Å; F247-F283 HydrophobicContact CZ-CG 3.79Å
248L87.9Confident85.3Confident0 Ų044.2 Ų44.20%023%0.232CC..EExtended strand (participates in β ladder)trans-99.6118.8174.3-61177.6000108.3K175 T246 L270 A274 I281 V282 F283K175-L248 HydrophobicContact CB-CD2 4.11Å; K175-L248 HydrophobicContact CG-CD2 4.15Å; T246-L248 HydrophobicContact CG2-CD2 4.3Å; L248-L270 HydrophobicContact CB-CD1 4.44Å; L248-L270 HydrophobicContact CD1-CD1 4.33Å; L248-A274 HydrophobicContact CD1-CB 3.59Å; L248-I281 PolarHBondContact N-O 3.48Å; L248-V282 HydrophobicContact CB-CG2 4.47Å; L248-V282 HydrophobicContact CD1-CG2 4.22Å; L248-F283 PolarHBondContact O-N 3.13Å
249R88.9Confident85.2Confident91 Ų9151.6 Ų51.634%0.34326%0.261SS..EExtended strand (participates in β ladder)trans-107.2125.1178.9178.7175.3-178.5-150.8-5.2109.4M174 V176 F247 F283M174-R249 PolarHBondContact O-N 2.66Å; M174-R249 VanDerWaalsContact O-N 3.14Å; V176-R249 HydrophobicContact CG2-CB 3.55Å; F247-R249 HydrophobicContact CD1-CB 4.35Å; F247-R249 HydrophobicContact CE1-CB 3.81Å; F247-R249 HydrophobicContact CE1-CG 4.48Å; R249-F283 HydrophobicContact CG-CD1 4.19Å
250V88.4Confident85Confident0 Ų058.1 Ų58.10%030%0.295CS..EExtended strand (participates in β ladder)trans-129.7135.5176.3-173.60000109M174 L255 L270 F283 I284 D285M174-V250 HydrophobicContact CB-CG2 4.22Å; M174-V250 HydrophobicContact CG-CG2 4.07Å; M174-V250 HydrophobicContact SD-CB 4.44Å; M174-V250 HydrophobicContact SD-CG1 4.18Å; M174-V250 HydrophobicContact SD-CG2 3.51Å; M174-V250 VanDerWaalsContact SD-CG2 3.51Å; V250-L255 HydrophobicContact CG1-CD1 4.35Å; V250-L255 HydrophobicContact CG1-CD2 3.94Å; V250-L255 HydrophobicContact CG1-CG 3.97Å; V250-L270 HydrophobicContact CG2-CD1 3.57Å; V250-L270 HydrophobicContact CG2-CD2 3.73Å; V250-L270 HydrophobicContact CG2-CG 4.3Å; V250-F283 PolarHBondContact N-O 3.43Å; V250-I284 WeakPolarHBondContact O-CA 3.36Å; V250-D285 PolarHBondContact O-N 3.42Å
251V88.9Confident84.9Confident25 Ų2558.4 Ų58.415%0.15230%0.298CS..EExtended strand (participates in β ladder)trans-93.8134.4170.2-1720000108.3S253 E254V251-S253 WeakPolarHBondContact CG1-OG 3.45Å; V251-S253 PolarHBondContact O-N 3.29Å; V251-E254 HydrophobicContact CB-CG 4.04Å; V251-E254 PolarHBondContact N-OE2 3.15Å; V251-E254 VanDerWaalsContact N-OE2 3.11Å; V251-E254 WeakPolarHBondContact O-CB 3.5Å; V251-E254 PolarHBondContact O-N 3.04Å
252G86.1Confident85Confident0 Ų058.8 Ų58.80%030%0.301CS..G310 helixtrans-54.9-29.9-177.700000113.5L255 D285 I290G252-L255 PolarHBondContact O-N 3.27Å; G252-D285 PolarHBondContact N-O 2.94Å; G252-I290 VanDerWaalsContact O-CG2 3.27Å; G252-I290 WeakPolarHBondContact O-CG2 3.31Å
253S86.6Confident85Confident62 Ų6254.4 Ų54.443%0.43428%0.28SS..G310 helixtrans-69.1-26.7174.258.50000114.5V251 L255 I256V251-S253 WeakPolarHBondContact CG1-OG 3.45Å; V251-S253 PolarHBondContact O-N 3.29Å; S253-L255 VanDerWaalsContact C-N 3.26Å; S253-L255 PolarHBondContact O-N 3.31Å; S253-I256 PolarHBondContact O-N 3.49Å
254E86.4Confident85.4Confident82 Ų8253.4 Ų53.438%0.38327%0.274SS..G310 helixtrans-72.6-22180-67.2169.8166.500112.2V251 I256 Q257V251-E254 HydrophobicContact CB-CG 4.04Å; V251-E254 PolarHBondContact N-OE2 3.15Å; V251-E254 VanDerWaalsContact N-OE2 3.11Å; V251-E254 WeakPolarHBondContact O-CB 3.5Å; V251-E254 PolarHBondContact O-N 3.04Å; E254-I256 PolarHBondContact O-N 3.43Å; E254-Q257 PolarHBondContact O-NE2 3.23Å
255L84.8Confident85.8Confident0 Ų053.7 Ų53.70%026%0.261CS..G310 helixtrans-73.8-12.2174.3-61.9175.8000112.7V250 G252 S253 L266 V267 I290 T308 L312V250-L255 HydrophobicContact CG1-CD1 4.35Å; V250-L255 HydrophobicContact CG1-CD2 3.94Å; V250-L255 HydrophobicContact CG1-CG 3.97Å; G252-L255 PolarHBondContact O-N 3.27Å; S253-L255 VanDerWaalsContact C-N 3.26Å; S253-L255 PolarHBondContact O-N 3.31Å; L255-L266 HydrophobicContact CD2-CD2 4.08Å; L255-L266 HydrophobicContact CD2-CG 4.34Å; L255-V267 HydrophobicContact CD2-CG2 3.98Å; L255-I290 HydrophobicContact CB-CG2 4.49Å; L255-I290 HydrophobicContact CD1-CD1 3.82Å; L255-T308 HydrophobicContact CB-CG2 4.13Å; L255-L312 HydrophobicContact CD1-CD1 4.03Å
256I84.9Confident86.1Confident64 Ų6453.2 Ų53.233%0.32826%0.256SS..  trans-93.3105.1178.2-53.4178.4000108.7S253 E254 I290 I305S253-I256 PolarHBondContact O-N 3.49Å; E254-I256 PolarHBondContact O-N 3.43Å; I256-I290 HydrophobicContact CD1-CG2 3.82Å; I256-I290 HydrophobicContact CG1-CG2 3.58Å; I256-I305 HydrophobicContact CD1-CD1 4.02Å; I256-I305 HydrophobicContact CD1-CG1 4.1Å; I256-I305 HydrophobicContact CG1-CG1 4.14Å; I256-I305 HydrophobicContact CG2-CD1 4.16Å; I256-I305 HydrophobicContact CG2-CG1 4Å
257Q83.7Confident86.3Confident63 Ų6351.3 Ų51.329%0.29424%0.244SC..  trans-101.6155.2179.2-65.8-61.3-29.600112E254 Y259 D262E254-Q257 PolarHBondContact O-NE2 3.23Å; Q257-Y259 VanDerWaalsContact C-N 3.32Å; Q257-D262 HydrophobicContact CB-CB 3.81Å; Q257-D262 HydrophobicContact CG-CB 4.05Å
258K82.3Confident86.2Confident189 Ų18955.9 Ų55.982%0.82226%0.261SS*.SBendtrans-70-30.6178.1-177.6-178.3174.5-1720112.1
259Y84.2Confident86.1Confident155 Ų15558.5 Ų58.561%0.60827%0.273SS*.SBendtrans-92.7143.4-178.9-57.6-74.3000110.8Q257 D262Q257-Y259 VanDerWaalsContact C-N 3.32Å; Y259-D262 WeakPolarHBondContact CB-OD2 3.5Å
260L83.5Confident86Confident136 Ų13654.1 Ų54.171%0.71226%0.257SS*.THydrogen-bonded Turntrans-73.4129.7-179-66.7132.9000110.2
261G83.8Confident85.9Confident12 Ų1254.2 Ų54.212%0.12426%0.257CS..THydrogen-bonded Turntrans90.5-10.1177.500000115.1K265 E304G261-K265 WeakPolarHBondContact O-CG 3.42Å; G261-K265 PolarHBondContact O-N 2.99Å; G261-E304 WeakPolarHBondContact CA-OE1 3.41Å; G261-E304 VanDerWaalsContact N-CD 3.3Å; G261-E304 PolarHBondContact N-OE1 3.25Å; G261-E304 PolarHBondContact N-OE2 2.91Å
262D86.1Confident85.7Confident56 Ų5657.7 Ų57.730%0.29927%0.268SS..Hα-helixtrans-72.4-33.4176.7-76.21.5000111.5Q257 Y259 K265 L266Q257-D262 HydrophobicContact CB-CB 3.81Å; Q257-D262 HydrophobicContact CG-CB 4.05Å; Y259-D262 WeakPolarHBondContact CB-OD2 3.5Å; D262-K265 PolarHBondContact O-N 3.49Å; D262-L266 WeakPolarHBondContact O-CB 3.41Å; D262-L266 PolarHBondContact O-N 2.82Å
263G86.2Confident85.6Confident0 Ų058 Ų580%027%0.27CS..Hα-helixtrans-59.1-54.2177.900000112.8K265 L266 V267 T308G263-K265 PolarHBondContact O-N 3.04Å; G263-L266 PolarHBondContact O-N 3.23Å; G263-V267 WeakPolarHBondContact O-CG2 3.33Å; G263-V267 PolarHBondContact O-N 2.83Å; G263-V267 VanDerWaalsContact O-N 3.13Å; G263-T308 WeakPolarHBondContact CA-OG1 3.32Å
264P88.3Confident85.6Confident4 Ų455.1 Ų55.13%0.02625%0.249CC..Hα-helixtrans-59.8-38.7176-27.235.6000114.3V267 R268 E304 R307 T308 E311P264-V267 PolarHBondContact O-N 3.37Å; P264-R268 WeakPolarHBondContact O-CG 3.43Å; P264-R268 PolarHBondContact O-N 2.92Å; P264-E304 WeakPolarHBondContact CD-OE1 3.29Å; P264-R307 HydrophobicContact CG-CB 4.43Å; P264-R307 HydrophobicContact CG-CG 3.82Å; P264-T308 WeakPolarHBondContact CD-OG1 3.39Å; P264-E311 HydrophobicContact CB-CB 4.05Å; P264-E311 HydrophobicContact CB-CG 3.96Å
265K86.9Confident85.5Confident119 Ų11956.6 Ų56.652%0.51726%0.256SS..Hα-helixtrans-61.5-47.5176-73.1179178.1-174.80111.2G261 D262 G263 V267 R268 E269G261-K265 WeakPolarHBondContact O-CG 3.42Å; G261-K265 PolarHBondContact O-N 2.99Å; D262-K265 PolarHBondContact O-N 3.49Å; G263-K265 PolarHBondContact O-N 3.04Å; K265-V267 VanDerWaalsContact C-N 3.27Å; K265-V267 PolarHBondContact O-N 3.13Å; K265-R268 WeakPolarHBondContact O-CB 3.17Å; K265-R268 PolarHBondContact O-N 2.98Å; K265-R268 VanDerWaalsContact O-N 3.1Å; K265-E269 PolarHBondContact O-N 3.16Å
266L87.6Confident85.4Confident6 Ų661.6 Ų61.63%0.03128%0.28CS..Hα-helixtrans-59.6-38.5179.2-173.460.8000112.7L170 V171 M174 L255 D262 G263 E269 L270L170-L266 HydrophobicContact CB-CD1 4.22Å; L170-L266 HydrophobicContact CD2-CD1 3.7Å; L170-L266 HydrophobicContact CD2-CD2 3.54Å; L170-L266 HydrophobicContact CD2-CG 4.25Å; L170-L266 HydrophobicContact CG-CD1 4.12Å; L170-L266 HydrophobicContact CG-CD2 4.5Å; V171-L266 HydrophobicContact CG2-CD1 3.83Å; M174-L266 HydrophobicContact CE-CD1 3.56Å; M174-L266 HydrophobicContact CE-CD2 3.75Å; M174-L266 HydrophobicContact CE-CG 3.79Å; L255-L266 HydrophobicContact CD2-CD2 4.08Å; L255-L266 HydrophobicContact CD2-CG 4.34Å; D262-L266 WeakPolarHBondContact O-CB 3.41Å; D262-L266 PolarHBondContact O-N 2.82Å; G263-L266 PolarHBondContact O-N 3.23Å; L266-E269 PolarHBondContact O-N 3.28Å; L266-L270 WeakPolarHBondContact O-CB 3.4Å; L266-L270 PolarHBondContact O-N 2.92Å
267V88.6Confident85.4Confident0 Ų061.2 Ų61.20%028%0.277CS..Hα-helixtrans-65-42.1176.4171.50000111.3L255 G263 P264 K265 E269 F271 T308 E311 L312 Q315L255-V267 HydrophobicContact CD2-CG2 3.98Å; G263-V267 WeakPolarHBondContact O-CG2 3.33Å; G263-V267 PolarHBondContact O-N 2.83Å; G263-V267 VanDerWaalsContact O-N 3.13Å; P264-V267 PolarHBondContact O-N 3.37Å; K265-V267 VanDerWaalsContact C-N 3.27Å; K265-V267 PolarHBondContact O-N 3.13Å; V267-E269 VanDerWaalsContact C-N 3.35Å; V267-F271 HydrophobicContact CG1-CD2 3.99Å; V267-F271 HydrophobicContact CG1-CE2 4Å; V267-F271 WeakPolarHBondContact O-CD2 3.35Å; V267-F271 PolarHBondContact O-N 3.04Å; V267-T308 HydrophobicContact CG2-CG2 3.76Å; V267-E311 HydrophobicContact CB-CG 4.44Å; V267-E311 HydrophobicContact CG1-CG 4.3Å; V267-L312 HydrophobicContact CG1-CB 3.93Å; V267-L312 HydrophobicContact CG1-CD1 4.45Å; V267-L312 HydrophobicContact CG1-CG 4.45Å; V267-L312 HydrophobicContact CG2-CB 4.47Å; V267-L312 HydrophobicContact CG2-CD1 4.46Å; V267-Q315 HydrophobicContact CG1-CG 4.12Å
268R86.8Confident85.3Confident110 Ų11060.5 Ų60.542%0.41528%0.281SS..Hα-helixtrans-61.9-45.2175.9-69.1175.6-172.2166.54.9111.4P264 K265 L270 F271 R272 E311P264-R268 WeakPolarHBondContact O-CG 3.43Å; P264-R268 PolarHBondContact O-N 2.92Å; K265-R268 WeakPolarHBondContact O-CB 3.17Å; K265-R268 PolarHBondContact O-N 2.98Å; K265-R268 VanDerWaalsContact O-N 3.1Å; R268-L270 PolarHBondContact O-N 3.34Å; R268-F271 PolarHBondContact O-N 2.89Å; R268-F271 VanDerWaalsContact O-N 3.15Å; R268-R272 PolarHBondContact O-N 3.01Å; R268-E311 HydrophobicContact CG-CG 4.37Å; R268-E311 WeakPolarHBondContact CG-OE1 3.5Å; R268-E311 IonicContact CZ-OE1 2.68Å; R268-E311 IonicContact CZ-OE2 3.57Å; R268-E311 VanDerWaalsContact NE-CD 3.31Å; R268-E311 IonicContact NE-OE1 3.16Å; R268-E311 PolarHBondContact NE-OE1 2.84Å; R268-E311 IonicContact NE-OE2 2.65Å; R268-E311 IonicContact NH2-OE1 3.06Å; R268-E311 PolarHBondContact NH2-OE1 3.07Å; R268-E311 IonicContact NH2-OE2 2.88Å; R268-E311 PolarHBondContact NH2-OE2 3.31Å
269E84.6Confident85.5Confident54 Ų5454.5 Ų54.525%0.25226%0.261SS..Hα-helixtrans-71.6-34.8-176.2-92.948.3122.500111.9V171 K265 L266 V267 F271 R272 V273V171-E269 HydrophobicContact CG2-CB 4.07Å; K265-E269 PolarHBondContact O-N 3.16Å; L266-E269 PolarHBondContact O-N 3.28Å; V267-E269 VanDerWaalsContact C-N 3.35Å; E269-F271 VanDerWaalsContact C-N 3.28Å; E269-F271 PolarHBondContact O-N 2.93Å; E269-R272 PolarHBondContact O-N 2.82Å; E269-V273 WeakPolarHBondContact O-CB 3.42Å; E269-V273 WeakPolarHBondContact O-CG2 3.4Å; E269-V273 PolarHBondContact O-N 3.41Å
270L87Confident85.6Confident0 Ų047.1 Ų47.10%023%0.233CC..Hα-helixtrans-55.6-46169.9173.765.8000111.6M174 L248 V250 L266 R268 A274 V282M174-L270 HydrophobicContact SD-CD1 3.9Å; L248-L270 HydrophobicContact CB-CD1 4.44Å; L248-L270 HydrophobicContact CD1-CD1 4.33Å; V250-L270 HydrophobicContact CG2-CD1 3.57Å; V250-L270 HydrophobicContact CG2-CD2 3.73Å; V250-L270 HydrophobicContact CG2-CG 4.3Å; L266-L270 WeakPolarHBondContact O-CB 3.4Å; L266-L270 PolarHBondContact O-N 2.92Å; R268-L270 PolarHBondContact O-N 3.34Å; L270-A274 WeakPolarHBondContact O-CB 3.35Å; L270-A274 PolarHBondContact O-N 3.44Å; L270-V282 HydrophobicContact CD2-CG1 4.13Å; L270-V282 HydrophobicContact CG-CG1 4.49Å
271F86.9Confident85.8Confident2 Ų240.7 Ų40.71%0.00920%0.199CC..Hα-helixtrans-74.6-36.6-178-85.4-62.7000113V267 R268 E269 A274 E275 Q315 L316 F319 V327V267-F271 HydrophobicContact CG1-CD2 3.99Å; V267-F271 HydrophobicContact CG1-CE2 4Å; V267-F271 WeakPolarHBondContact O-CD2 3.35Å; V267-F271 PolarHBondContact O-N 3.04Å; R268-F271 PolarHBondContact O-N 2.89Å; R268-F271 VanDerWaalsContact O-N 3.15Å; E269-F271 VanDerWaalsContact C-N 3.28Å; E269-F271 PolarHBondContact O-N 2.93Å; F271-A274 WeakPolarHBondContact O-CB 3.38Å; F271-A274 PolarHBondContact O-N 2.93Å; F271-E275 PolarHBondContact O-N 3.36Å; F271-Q315 HydrophobicContact CD2-CB 3.38Å; F271-Q315 HydrophobicContact CD2-CG 3.89Å; F271-Q315 HydrophobicContact CE2-CB 3.58Å; F271-Q315 HydrophobicContact CE2-CG 4.41Å; F271-Q315 HydrophobicContact CG-CB 4.08Å; F271-Q315 HydrophobicContact CZ-CB 4.4Å; F271-L316 HydrophobicContact CE1-CD2 4.13Å; F271-L316 HydrophobicContact CZ-CD2 3.64Å; F271-L316 HydrophobicContact CZ-CG 4.03Å; F271-F319 HydrophobicContact CB-CE1 4.49Å; F271-F319 HydrophobicContact CB-CZ 3.7Å; F271-F319 HydrophobicContact CD1-CE1 4.18Å; F271-F319 AromaticContact CD1-CE2 3.27Å; F271-F319 HydrophobicContact CD1-CE2 3.27Å; F271-F319 AromaticContact CD1-CZ 3.08Å; F271-F319 HydrophobicContact CD1-CZ 3.08Å; F271-F319 HydrophobicContact CD2-CE2 4.46Å; F271-F319 HydrophobicContact CD2-CZ 4.33Å; F271-F319 HydrophobicContact CE1-CD2 4.41Å; F271-F319 AromaticContact CE1-CE2 3.34Å; F271-F319 HydrophobicContact CE1-CE2 3.34Å; F271-F319 AromaticContact CE1-CZ 3.72Å; F271-F319 HydrophobicContact CE1-CZ 3.72Å; F271-F319 AromaticContact CG-CE2 3.88Å; F271-F319 HydrophobicContact CG-CE2 3.88Å; F271-F319 AromaticContact CG-CZ 3.45Å; F271-F319 HydrophobicContact CG-CZ 3.45Å; F271-F319 VanDerWaalsContact CG-CZ 3.45Å; F271-F319 HydrophobicContact CZ-CE2 4.02Å; F271-V327 HydrophobicContact CE1-CG2 4.12Å
272R84Confident86.1Confident97 Ų9740.1 Ų40.137%0.36619%0.193SC..Hα-helixtrans-57.6-49.2171.1-178.6-176.9170.9170.66.6111.1R268 E269 A274 E275 E276R268-R272 PolarHBondContact O-N 3.01Å; E269-R272 PolarHBondContact O-N 2.82Å; R272-A274 VanDerWaalsContact C-N 3.29Å; R272-A274 PolarHBondContact O-N 3.32Å; R272-E275 PolarHBondContact O-N 2.89Å; R272-E275 VanDerWaalsContact O-N 3.15Å; R272-E276 IonicContact CZ-OE1 3.93Å; R272-E276 IonicContact NE-OE1 2.64Å; R272-E276 PolarHBondContact NE-OE1 2.94Å; R272-E276 VanDerWaalsContact NE-OE1 3.1Å; R272-E276 IonicContact NH2-OE1 2.91Å; R272-E276 WeakPolarHBondContact O-CG 3.33Å; R272-E276 PolarHBondContact O-N 3.38Å
273V84Confident86.4Confident8 Ų837.4 Ų37.45%0.04818%0.179CC..Hα-helixtrans-63.9-36177171.70000111.7T167 V171 E269 E275 H277T167-V273 HydrophobicContact CG2-CG2 3.59Å; V171-V273 HydrophobicContact CG1-CB 3.89Å; V171-V273 HydrophobicContact CG1-CG1 4.1Å; V171-V273 HydrophobicContact CG1-CG2 3.62Å; E269-V273 WeakPolarHBondContact O-CB 3.42Å; E269-V273 WeakPolarHBondContact O-CG2 3.4Å; E269-V273 PolarHBondContact O-N 3.41Å; V273-E275 VanDerWaalsContact C-N 3.32Å; V273-H277 WeakPolarHBondContact O-CB 3.38Å; V273-H277 PolarHBondContact O-N 2.97Å; V273-H277 PolarHBondContact O-ND1 2.97Å
274A86.3Confident86.6Confident0 Ų037.4 Ų37.40%018%0.179CC..Hα-helixtrans-63.8-37.8175.300000112.4L248 L270 F271 R272 A278 S280 V282 V325L248-A274 HydrophobicContact CD1-CB 3.59Å; L270-A274 WeakPolarHBondContact O-CB 3.35Å; L270-A274 PolarHBondContact O-N 3.44Å; F271-A274 WeakPolarHBondContact O-CB 3.38Å; F271-A274 PolarHBondContact O-N 2.93Å; R272-A274 VanDerWaalsContact C-N 3.29Å; R272-A274 PolarHBondContact O-N 3.32Å; A274-A278 PolarHBondContact O-N 2.89Å; A274-S280 WeakPolarHBondContact O-CB 3.39Å; A274-S280 PolarHBondContact O-OG 3.21Å; A274-V282 HydrophobicContact CB-CG2 3.72Å; A274-V325 HydrophobicContact CB-CG1 3.97Å; A274-V325 HydrophobicContact CB-CG2 4.43Å
275E84.3Confident86.7Confident114 Ų11438 Ų3853%0.53318%0.182SC..Hα-helixtrans-71.5-44.3177.9-172.1168.8-165.300111.9F271 R272 V273 H277 A278F271-E275 PolarHBondContact O-N 3.36Å; R272-E275 PolarHBondContact O-N 2.89Å; R272-E275 VanDerWaalsContact O-N 3.15Å; V273-E275 VanDerWaalsContact C-N 3.32Å; E275-H277 PolarHBondContact O-N 3.02Å; E275-A278 WeakPolarHBondContact O-CB 3.41Å; E275-A278 PolarHBondContact O-N 3.41Å; E275-A278 VanDerWaalsContact O-N 3.16Å
276E83.6Confident86.8Confident104 Ų10436.7 Ų36.749%0.48618%0.177SC..Hα-helixtrans-59.6-30175.4-71.9170.6-173.800112.5R272R272-E276 IonicContact CZ-OE1 3.93Å; R272-E276 IonicContact NE-OE1 2.64Å; R272-E276 PolarHBondContact NE-OE1 2.94Å; R272-E276 VanDerWaalsContact NE-OE1 3.1Å; R272-E276 IonicContact NH2-OE1 2.91Å; R272-E276 WeakPolarHBondContact O-CG 3.33Å; R272-E276 PolarHBondContact O-N 3.38Å
277H84Confident86.8Confident57 Ų5736.5 Ų36.526%0.26418%0.176SC..THydrogen-bonded Turntrans-10320.8-179.7-64.781.9000114K175 T246 V273 E275 P279K175-H277 PolarHBondContact NZ-CD2 2.95Å; K175-H277 PolarHBondContact NZ-NE2 3.46Å; T246-H277 HydrophobicContact CG2-CB 3.88Å; T246-H277 PolarHBondContact OG1-O 3.43Å; V273-H277 WeakPolarHBondContact O-CB 3.38Å; V273-H277 PolarHBondContact O-N 2.97Å; V273-H277 PolarHBondContact O-ND1 2.97Å; E275-H277 PolarHBondContact O-N 3.02Å; H277-P279 CarbonylContact O-C 3.53Å
278A83Confident86.8Confident48 Ų4838.1 Ų38.140%0.39719%0.185SC..  trans-60.8135.2178.200000111.6A274 E275A274-A278 PolarHBondContact O-N 2.89Å; E275-A278 WeakPolarHBondContact O-CB 3.41Å; E275-A278 PolarHBondContact O-N 3.41Å; E275-A278 VanDerWaalsContact O-N 3.16Å
279P85.7Confident86.7Confident62 Ų6234.4 Ų34.440%0.40318%0.178SC..SBendcis-75.41323.129.9-34.6000113.5L205 T246 H277 D324L205-P279 HydrophobicContact CD2-CB 3.57Å; T246-P279 PolarHBondContact N-O 3.15Å; H277-P279 CarbonylContact O-C 3.53Å; P279-D324 HydrophobicContact CB-CB 3.89Å
280S86.6Confident86.7Confident0 Ų032 Ų320%017%0.167CC..EExtended strand (participates in β ladder)trans-136150.8-176.270.50000113T246 A274 D324 V325 K326T246-S280 CarbonylContact O-C 3.57Å; T246-S280 VanDerWaalsContact O-CA 3.31Å; T246-S280 WeakPolarHBondContact O-CA 3.45Å; A274-S280 WeakPolarHBondContact O-CB 3.39Å; A274-S280 PolarHBondContact O-OG 3.21Å; S280-D324 PolarHBondContact N-O 3.42Å; S280-D324 VanDerWaalsContact N-O 3.15Å; S280-V325 WeakPolarHBondContact O-CA 3.17Å; S280-K326 PolarHBondContact O-N 2.89Å
281I88.5Confident86.2Confident1 Ų132 Ų321%0.00517%0.167CC..EExtended strand (participates in β ladder)trans-119.1116.8176.3-60172.3000107.9V201 L205 T243 A245 T246 F247 L248 K326 I328V201-I281 HydrophobicContact CG1-CD1 3.64Å; V201-I281 HydrophobicContact CG1-CG1 4.13Å; L205-I281 HydrophobicContact CD1-CD1 4.35Å; L205-I281 HydrophobicContact CD1-CG1 4.47Å; T243-I281 HydrophobicContact CG2-CD1 4.34Å; T243-I281 VanDerWaalsContact OG1-CD1 3.25Å; T243-I281 WeakPolarHBondContact OG1-CD1 3.3Å; A245-I281 HydrophobicContact CB-CD1 4.26Å; A245-I281 HydrophobicContact CB-CG1 4.3Å; T246-I281 PolarHBondContact O-N 2.91Å; F247-I281 HydrophobicContact CD2-CB 4.29Å; F247-I281 HydrophobicContact CD2-CG2 4.19Å; F247-I281 HydrophobicContact CE2-CG2 4.39Å; L248-I281 PolarHBondContact N-O 3.48Å; I281-K326 CarbonylContact C-O 3.6Å; I281-K326 WeakPolarHBondContact CA-O 3.42Å; I281-K326 HydrophobicContact CG1-CB 4.48Å; I281-I328 HydrophobicContact CG2-CD1 3.72Å; I281-I328 HydrophobicContact CG2-CG1 4.13Å
282V89.7Confident85.6Confident0 Ų034 Ų340%018%0.179CC..EExtended strand (participates in β ladder)trans-94.2112.9174.2-176.70000108.5L248 L270 A274 I284 V325 K326 V327 I328L248-V282 HydrophobicContact CB-CG2 4.47Å; L248-V282 HydrophobicContact CD1-CG2 4.22Å; L270-V282 HydrophobicContact CD2-CG1 4.13Å; L270-V282 HydrophobicContact CG-CG1 4.49Å; A274-V282 HydrophobicContact CB-CG2 3.72Å; V282-I284 HydrophobicContact CG1-CD1 4.48Å; V282-I284 HydrophobicContact CG1-CG1 4.1Å; V282-V325 HydrophobicContact CG2-CG1 3.97Å; V282-K326 PolarHBondContact N-O 3.19Å; V282-V327 HydrophobicContact CB-CG2 4.32Å; V282-V327 CarbonylContact O-C 3.4Å; V282-V327 WeakPolarHBondContact O-CA 3.41Å; V282-I328 PolarHBondContact O-N 2.9Å
283F91.4Very high84.9Confident0 Ų033.3 Ų33.30%018%0.179CC..EExtended strand (participates in β ladder)trans-104.2114.9176.3177.1-114.2000110.8T233 A236 F247 L248 R249 V250 D285 I328 A330T233-F283 HydrophobicContact CG2-CE1 3.96Å; T233-F283 HydrophobicContact CG2-CZ 4.1Å; A236-F283 HydrophobicContact CB-CD2 3.48Å; A236-F283 VanDerWaalsContact CB-CD2 3.48Å; A236-F283 HydrophobicContact CB-CE1 4.45Å; A236-F283 HydrophobicContact CB-CE2 3.37Å; A236-F283 HydrophobicContact CB-CG 4.09Å; A236-F283 HydrophobicContact CB-CZ 3.91Å; F247-F283 HydrophobicContact CD2-CB 4.45Å; F247-F283 HydrophobicContact CE1-CB 4.46Å; F247-F283 HydrophobicContact CE2-CB 3.42Å; F247-F283 VanDerWaalsContact CE2-CB 3.42Å; F247-F283 HydrophobicContact CE2-CG 4.12Å; F247-F283 HydrophobicContact CZ-CB 3.42Å; F247-F283 VanDerWaalsContact CZ-CB 3.42Å; F247-F283 AromaticContact CZ-CD1 3.78Å; F247-F283 HydrophobicContact CZ-CD1 3.78Å; F247-F283 AromaticContact CZ-CG 3.79Å; F247-F283 HydrophobicContact CZ-CG 3.79Å; L248-F283 PolarHBondContact O-N 3.13Å; R249-F283 HydrophobicContact CG-CD1 4.19Å; V250-F283 PolarHBondContact N-O 3.43Å; F283-D285 HydrophobicContact CE1-CB 3.7Å; F283-D285 HydrophobicContact CZ-CB 3.94Å; F283-I328 WeakPolarHBondContact CA-O 3.35Å; F283-I328 HydrophobicContact CD2-CB 3.93Å; F283-I328 HydrophobicContact CD2-CG2 3.72Å; F283-I328 HydrophobicContact CE2-CG2 4.05Å; F283-A330 HydrophobicContact CE2-CB 3.92Å; F283-A330 HydrophobicContact CZ-CB 4.02Å
284I90.7Very high84.1Confident0 Ų037.6 Ų37.60%019%0.194CC..EExtended strand (participates in β ladder)trans-105.6105.3177.7-51.7-178.2000108.3V250 V282 I287 L312 V327 I328 M329 A330V250-I284 WeakPolarHBondContact O-CA 3.36Å; V282-I284 HydrophobicContact CG1-CD1 4.48Å; V282-I284 HydrophobicContact CG1-CG1 4.1Å; I284-I287 HydrophobicContact CG2-CB 4.21Å; I284-I287 HydrophobicContact CG2-CD1 4.37Å; I284-I287 HydrophobicContact CG2-CG1 4.33Å; I284-L312 HydrophobicContact CD1-CD1 3.84Å; I284-V327 HydrophobicContact CD1-CG1 4.28Å; I284-I328 PolarHBondContact N-O 3.3Å; I284-M329 HydrophobicContact CB-CG 4.39Å; I284-M329 WeakPolarHBondContact O-CA 3.4Å; I284-A330 PolarHBondContact O-N 3.22Å
285D90.3Very high82.9Confident17 Ų1746.5 Ų46.59%0.09123%0.229CC..EExtended strand (participates in β ladder)trans-85.5150.7176.3-145.9-7.5000110.6T233 V250 G252 F283 I287T233-D285 WeakPolarHBondContact CG2-OD2 3.4Å; T233-D285 PolarHBondContact OG1-OD2 2.84Å; V250-D285 PolarHBondContact O-N 3.42Å; G252-D285 PolarHBondContact N-O 2.94Å; F283-D285 HydrophobicContact CE1-CB 3.7Å; F283-D285 HydrophobicContact CZ-CB 3.94Å; D285-I287 VanDerWaalsContact C-N 3.33Å; D285-I287 PolarHBondContact O-N 3.04Å
286E88.7Confident81.7Confident91 Ų9148.9 Ų48.943%0.42525%0.245SC..  trans49.746.9176.5-58.3-173.2165.600114.4D288 A289 A330E286-D288 VanDerWaalsContact C-OD1 3.23Å; E286-D288 WeakPolarHBondContact CA-OD1 3.22Å; E286-D288 PolarHBondContact O-N 2.96Å; E286-D288 VanDerWaalsContact O-N 3.1Å; E286-A289 WeakPolarHBondContact O-CB 3.33Å; E286-A289 PolarHBondContact O-N 3.3Å; E286-A330 PolarHBondContact N-O 2.95Å; E286-A330 VanDerWaalsContact N-O 3.17Å
287I88.6Confident80.7Confident2 Ų246.4 Ų46.41%0.0124%0.239CC..THydrogen-bonded Turntrans-63.6-17-179.9-166.2167.2000113I284 D285 A289 I290 G291 M329 A330 L337 L341I284-I287 HydrophobicContact CG2-CB 4.21Å; I284-I287 HydrophobicContact CG2-CD1 4.37Å; I284-I287 HydrophobicContact CG2-CG1 4.33Å; D285-I287 VanDerWaalsContact C-N 3.33Å; D285-I287 PolarHBondContact O-N 3.04Å; I287-A289 PolarHBondContact O-N 3.45Å; I287-I290 HydrophobicContact CG1-CD1 4.19Å; I287-I290 HydrophobicContact CG1-CG1 4.03Å; I287-I290 WeakPolarHBondContact O-CG1 3.48Å; I287-I290 PolarHBondContact O-N 2.92Å; I287-G291 PolarHBondContact O-N 2.89Å; I287-M329 HydrophobicContact CD1-CB 4.29Å; I287-M329 HydrophobicContact CD1-CG 3.78Å; I287-M329 HydrophobicContact CD1-SD 3.42Å; I287-M329 WeakPolarHBondContact CD1-SD 3.37Å; I287-M329 HydrophobicContact CG2-CB 4.42Å; I287-A330 PolarHBondContact N-O 3.38Å; I287-A330 VanDerWaalsContact N-O 3.16Å; I287-L337 HydrophobicContact CG2-CD1 4.22Å; I287-L337 HydrophobicContact CG2-CD2 4Å; I287-L341 HydrophobicContact CD1-CD1 4.49Å; I287-L341 HydrophobicContact CD1-CD2 4.32Å
288D87.7Confident79.9Confident34 Ų3449.9 Ų49.918%0.18226%0.26CS..Hα-helixtrans-61.4-19.2172.152.5-31.8000113.5E286 I290 T292 L337E286-D288 VanDerWaalsContact C-OD1 3.23Å; E286-D288 WeakPolarHBondContact CA-OD1 3.22Å; E286-D288 PolarHBondContact O-N 2.96Å; E286-D288 VanDerWaalsContact O-N 3.1Å; D288-I290 PolarHBondContact O-N 2.8Å; D288-T292 WeakPolarHBondContact O-CG2 3.48Å; D288-L337 HydrophobicContact CB-CD2 4.21Å
289A85.3Confident79.6Confident32 Ų3251 Ų5126%0.26427%0.265SS..Hα-helixtrans-63-39.8173.200000113.1E286 I287E286-A289 WeakPolarHBondContact O-CB 3.33Å; E286-A289 PolarHBondContact O-N 3.3Å; I287-A289 PolarHBondContact O-N 3.45Å
290I84.7Confident79.2Confident3 Ų350 Ų502%0.01527%0.266CS..Hα-helixtrans-100.3-27179.556165.1000112.9G252 L255 I256 I287 D288 T292 I305 L312G252-I290 VanDerWaalsContact O-CG2 3.27Å; G252-I290 WeakPolarHBondContact O-CG2 3.31Å; L255-I290 HydrophobicContact CB-CG2 4.49Å; L255-I290 HydrophobicContact CD1-CD1 3.82Å; I256-I290 HydrophobicContact CD1-CG2 3.82Å; I256-I290 HydrophobicContact CG1-CG2 3.58Å; I287-I290 HydrophobicContact CG1-CD1 4.19Å; I287-I290 HydrophobicContact CG1-CG1 4.03Å; I287-I290 WeakPolarHBondContact O-CG1 3.48Å; I287-I290 PolarHBondContact O-N 2.92Å; D288-I290 PolarHBondContact O-N 2.8Å; I290-T292 VanDerWaalsContact C-N 3.35Å; I290-T292 PolarHBondContact O-N 3.13Å; I290-I305 HydrophobicContact CB-CG2 4.28Å; I290-I305 HydrophobicContact CG2-CG2 4.38Å; I290-L312 HydrophobicContact CD1-CD1 4.39Å
291G75.5Confident78.9Confident0 Ų052.3 Ų52.30%029%0.289CS..Hα-helixtrans-85.63.7-171.600000115.2I287 K293 L337 D338I287-G291 PolarHBondContact O-N 2.89Å; G291-K293 PolarHBondContact O-N 3.39Å; G291-L337 CarbonylContact O-C 3.39Å; G291-L337 VanDerWaalsContact O-CA 3.28Å; G291-L337 WeakPolarHBondContact O-CA 3.48Å; G291-D338 PolarHBondContact O-N 2.84Å
292T75.4Confident78.5Confident44 Ų4454.7 Ų54.727%0.2730%0.3SS..BIsolated β-bridgetrans-59.9132.8-179.5550000111.9D288 I290 R294 T336D288-T292 WeakPolarHBondContact O-CG2 3.48Å; I290-T292 VanDerWaalsContact C-N 3.35Å; I290-T292 PolarHBondContact O-N 3.13Å; T292-R294 PolarHBondContact O-N 2.99Å; T292-R294 PolarHBondContact OG1-NE 2.83Å; T292-T336 WeakPolarHBondContact CA-O 3.38Å
293K68.2Low78.1Confident83 Ų8361.4 Ų61.436%0.36133%0.326SS..  trans-60.4103.6166.2-68.2169.6-179.4143.40110.2G291 Y295 E335 T336 L337G291-K293 PolarHBondContact O-N 3.39Å; K293-Y295 HydrophobicContact CB-CD2 4.4Å; K293-Y295 HydrophobicContact CB-CE2 3.84Å; K293-Y295 HydrophobicContact CD-CE2 4.31Å; K293-Y295 HydrophobicContact CG-CE2 4.48Å; K293-E335 PolarHBondContact NZ-O 3.49Å; K293-T336 PolarHBondContact N-O 3.41Å; K293-L337 WeakPolarHBondContact CE-O 3.22Å; K293-L337 PolarHBondContact NZ-O 3.02Å
294R67.8Low77.8Confident97 Ų9762 Ų6237%0.36633%0.329SS..  trans-105.5103.6174.2-63.4-177.3-167.6-166.67.6108.9T292 E302T292-R294 PolarHBondContact O-N 2.99Å; T292-R294 PolarHBondContact OG1-NE 2.83Å; R294-E302 WeakPolarHBondContact CD-OE2 3.4Å
295Y60.6Low77.5Confident188 Ų18862.8 Ų62.874%0.73733%0.333SS*.  trans-90.1116.1172.1-63.2-77.3000108.3K293K293-Y295 HydrophobicContact CB-CD2 4.4Å; K293-Y295 HydrophobicContact CB-CE2 3.84Å; K293-Y295 HydrophobicContact CD-CE2 4.31Å; K293-Y295 HydrophobicContact CG-CE2 4.48Å
296D59.9Low77.3Confident163 Ų16367 Ų6787%0.87235%0.352SS*.SBendtrans70.926.8159-103.4-12.5000120.4
297S61.8Low77.2Confident52 Ų5269.4 Ų69.436%0.36436%0.357SS..  trans-88.5120.5169.4-550000112.5S299 E302S297-S299 PolarHBondContact O-N 3.4Å; S297-E302 WeakPolarHBondContact CB-OE1 2.88Å; S297-E302 WeakPolarHBondContact CB-OE2 3.42Å; S297-E302 PolarHBondContact OG-OE1 3.12Å; S297-E302 PolarHBondContact OG-OE2 3.4Å
298N68.6Low77.2Confident131 Ų13169.4 Ų69.470%0.70136%0.357SS*.  trans-80.99.2177.3-88.8-30000115R303N298-R303 PolarHBondContact OD1-NH2 3.34Å
299S76.6Confident77.2Confident71 Ų7168.2 Ų68.250%0.49735%0.35SS..  trans-75.4133.3-179.2-169.30000111.3S297 G301 E302 R303S297-S299 PolarHBondContact O-N 3.4Å; S299-G301 PolarHBondContact O-N 3.04Å; S299-E302 PolarHBondContact O-N 3.39Å; S299-R303 PolarHBondContact O-N 3.34Å
300G77.2Confident77.2Confident41 Ų4170.6 Ų70.642%0.42336%0.358SS..Hα-helixtrans-57-34-176.100000114E302 R303 E304G300-E302 VanDerWaalsContact C-N 3.33Å; G300-E302 PolarHBondContact O-N 3.45Å; G300-R303 PolarHBondContact O-N 3.01Å; G300-E304 PolarHBondContact O-N 3.06Å
301G79.2Confident77.4Confident48 Ų4871.5 Ų71.550%0.49536%0.363SS..Hα-helixtrans-68.6-28.9177.700000113.8S299 I305S299-G301 PolarHBondContact O-N 3.04Å; G301-I305 WeakPolarHBondContact O-CG1 3.49Å; G301-I305 PolarHBondContact O-N 3.19Å
302E80Confident78Confident51 Ų5171.5 Ų71.524%0.23836%0.363CS..Hα-helixtrans-78.2-36.6178.4-57.4-168.8-140.500111.7R294 S297 S299 G300 E304 I305 Q306R294-E302 WeakPolarHBondContact CD-OE2 3.4Å; S297-E302 WeakPolarHBondContact CB-OE1 2.88Å; S297-E302 WeakPolarHBondContact CB-OE2 3.42Å; S297-E302 PolarHBondContact OG-OE1 3.12Å; S297-E302 PolarHBondContact OG-OE2 3.4Å; S299-E302 PolarHBondContact O-N 3.39Å; G300-E302 VanDerWaalsContact C-N 3.33Å; G300-E302 PolarHBondContact O-N 3.45Å; E302-E304 VanDerWaalsContact C-N 3.27Å; E302-E304 PolarHBondContact O-N 3.4Å; E302-I305 PolarHBondContact O-N 3.37Å; E302-Q306 PolarHBondContact O-N 3.15Å
303R82.7Confident78.5Confident142 Ų14269.6 Ų69.654%0.53635%0.351SS..Hα-helixtrans-61-37.8172.6-66.7-176.3178.9-176.8-0111.7N298 S299 G300 Q306 R307N298-R303 PolarHBondContact OD1-NH2 3.34Å; S299-R303 PolarHBondContact O-N 3.34Å; G300-R303 PolarHBondContact O-N 3.01Å; R303-Q306 PolarHBondContact O-N 2.79Å; R303-R307 WeakPolarHBondContact O-CB 3.48Å; R303-R307 PolarHBondContact O-N 2.91Å
304E83.8Confident79.3Confident12 Ų1270 Ų706%0.05636%0.357CS..Hα-helixtrans-63.4-47.1176.2-174.860.7-163.800111.4G261 P264 G300 E302 Q306 R307 T308G261-E304 WeakPolarHBondContact CA-OE1 3.41Å; G261-E304 VanDerWaalsContact N-CD 3.3Å; G261-E304 PolarHBondContact N-OE1 3.25Å; G261-E304 PolarHBondContact N-OE2 2.91Å; P264-E304 WeakPolarHBondContact CD-OE1 3.29Å; G300-E304 PolarHBondContact O-N 3.06Å; E302-E304 VanDerWaalsContact C-N 3.27Å; E302-E304 PolarHBondContact O-N 3.4Å; E304-Q306 VanDerWaalsContact C-N 3.31Å; E304-Q306 PolarHBondContact O-N 3.11Å; E304-R307 WeakPolarHBondContact O-CB 3.16Å; E304-R307 PolarHBondContact O-N 2.93Å; E304-R307 VanDerWaalsContact O-N 3.1Å; E304-T308 PolarHBondContact O-N 3.27Å; E304-T308 PolarHBondContact O-OG1 3.31Å; E304-T308 VanDerWaalsContact O-OG1 3.14Å
305I85.8Confident80.2Confident16 Ų1667.8 Ų67.88%0.08235%0.351CS..Hα-helixtrans-60.6-43178.2-66.9164.1000110.9I256 I290 G301 E302 R307 T308 M309I256-I305 HydrophobicContact CD1-CD1 4.02Å; I256-I305 HydrophobicContact CD1-CG1 4.1Å; I256-I305 HydrophobicContact CG1-CG1 4.14Å; I256-I305 HydrophobicContact CG2-CD1 4.16Å; I256-I305 HydrophobicContact CG2-CG1 4Å; I290-I305 HydrophobicContact CB-CG2 4.28Å; I290-I305 HydrophobicContact CG2-CG2 4.38Å; G301-I305 WeakPolarHBondContact O-CG1 3.49Å; G301-I305 PolarHBondContact O-N 3.19Å; E302-I305 PolarHBondContact O-N 3.37Å; I305-R307 VanDerWaalsContact C-N 3.34Å; I305-R307 PolarHBondContact O-N 3.2Å; I305-T308 PolarHBondContact O-N 2.95Å; I305-M309 WeakPolarHBondContact O-CB 3.45Å; I305-M309 PolarHBondContact O-N 3.35Å
306Q84.9Confident81.2Confident105 Ų10559.4 Ų59.449%0.49132%0.318SS..Hα-helixtrans-62.7-40.7175.7-171.4-178.810.500111.9E302 R303 E304 M309 L310E302-Q306 PolarHBondContact O-N 3.15Å; R303-Q306 PolarHBondContact O-N 2.79Å; E304-Q306 VanDerWaalsContact C-N 3.31Å; E304-Q306 PolarHBondContact O-N 3.11Å; Q306-M309 HydrophobicContact CG-CE 4.42Å; Q306-M309 PolarHBondContact O-N 3.07Å; Q306-L310 HydrophobicContact CG-CD1 4.27Å; Q306-L310 WeakPolarHBondContact O-CG 3.47Å; Q306-L310 PolarHBondContact O-N 3.42Å
307R86.9Confident81.9Confident143 Ų14354.9 Ų54.954%0.5429%0.294SS..Hα-helixtrans-63.9-44.4177.3-169.2-177.6178.9-179.7-0.3111.6P264 R303 E304 I305 M309 L310 E311P264-R307 HydrophobicContact CG-CB 4.43Å; P264-R307 HydrophobicContact CG-CG 3.82Å; R303-R307 WeakPolarHBondContact O-CB 3.48Å; R303-R307 PolarHBondContact O-N 2.91Å; E304-R307 WeakPolarHBondContact O-CB 3.16Å; E304-R307 PolarHBondContact O-N 2.93Å; E304-R307 VanDerWaalsContact O-N 3.1Å; I305-R307 VanDerWaalsContact C-N 3.34Å; I305-R307 PolarHBondContact O-N 3.2Å; R307-M309 VanDerWaalsContact C-N 3.35Å; R307-L310 PolarHBondContact O-N 2.93Å; R307-E311 PolarHBondContact O-N 3.03Å
308T88.4Confident82.2Confident2 Ų255.1 Ų55.11%0.01231%0.305CS..Hα-helixtrans-61.7-42.1175-54.60000111.6L255 G263 P264 V267 E304 I305 E311 L312L255-T308 HydrophobicContact CB-CG2 4.13Å; G263-T308 WeakPolarHBondContact CA-OG1 3.32Å; P264-T308 WeakPolarHBondContact CD-OG1 3.39Å; V267-T308 HydrophobicContact CG2-CG2 3.76Å; E304-T308 PolarHBondContact O-N 3.27Å; E304-T308 PolarHBondContact O-OG1 3.31Å; E304-T308 VanDerWaalsContact O-OG1 3.14Å; I305-T308 PolarHBondContact O-N 2.95Å; T308-E311 PolarHBondContact O-N 3.27Å; T308-L312 WeakPolarHBondContact O-CB 3.41Å; T308-L312 PolarHBondContact O-N 2.64Å
309M87Confident81.9Confident8 Ų850.9 Ų50.94%0.03928%0.28CS..Hα-helixtrans-63.2-45.4176.3-178.5-173.670.400112.1I305 Q306 R307 E311 L312 L313 D338I305-M309 WeakPolarHBondContact O-CB 3.45Å; I305-M309 PolarHBondContact O-N 3.35Å; Q306-M309 HydrophobicContact CG-CE 4.42Å; Q306-M309 PolarHBondContact O-N 3.07Å; R307-M309 VanDerWaalsContact C-N 3.35Å; M309-E311 VanDerWaalsContact C-N 3.35Å; M309-L312 PolarHBondContact O-N 2.79Å; M309-L313 HydrophobicContact CG-CD1 4.45Å; M309-L313 VanDerWaalsContact O-CG 3.31Å; M309-L313 WeakPolarHBondContact O-CG 3.43Å; M309-L313 PolarHBondContact O-N 2.91Å; M309-D338 HydrophobicContact CE-CB 4.26Å; M309-D338 WeakPolarHBondContact CE-OD2 3.29Å; M309-D338 HydrophobicContact SD-CB 3.94Å
310L87.2Confident80.9Confident82 Ų8253.1 Ų53.143%0.42929%0.287SS..Hα-helixtrans-63.7-39.7177.2-72.4172000112Q306 R307 L313 N314Q306-L310 HydrophobicContact CG-CD1 4.27Å; Q306-L310 WeakPolarHBondContact O-CG 3.47Å; Q306-L310 PolarHBondContact O-N 3.42Å; R307-L310 PolarHBondContact O-N 2.93Å; L310-L313 WeakPolarHBondContact O-CB 3.48Å; L310-L313 PolarHBondContact O-N 3.12Å; L310-N314 PolarHBondContact O-N 3.45Å; L310-N314 PolarHBondContact O-ND2 3.36Å
311E88.2Confident79.8Confident23 Ų2356 Ų5611%0.10730%0.3CS..Hα-helixtrans-63.6-44.4174.6-173.566.3-148.400111.1P264 V267 R268 R307 T308 M309 L313 N314 Q315P264-E311 HydrophobicContact CB-CB 4.05Å; P264-E311 HydrophobicContact CB-CG 3.96Å; V267-E311 HydrophobicContact CB-CG 4.44Å; V267-E311 HydrophobicContact CG1-CG 4.3Å; R268-E311 HydrophobicContact CG-CG 4.37Å; R268-E311 WeakPolarHBondContact CG-OE1 3.5Å; R268-E311 IonicContact CZ-OE1 2.68Å; R268-E311 IonicContact CZ-OE2 3.57Å; R268-E311 VanDerWaalsContact NE-CD 3.31Å; R268-E311 IonicContact NE-OE1 3.16Å; R268-E311 PolarHBondContact NE-OE1 2.84Å; R268-E311 IonicContact NE-OE2 2.65Å; R268-E311 IonicContact NH2-OE1 3.06Å; R268-E311 PolarHBondContact NH2-OE1 3.07Å; R268-E311 IonicContact NH2-OE2 2.88Å; R268-E311 PolarHBondContact NH2-OE2 3.31Å; R307-E311 PolarHBondContact O-N 3.03Å; T308-E311 PolarHBondContact O-N 3.27Å; M309-E311 VanDerWaalsContact C-N 3.35Å; E311-L313 VanDerWaalsContact C-N 3.29Å; E311-L313 PolarHBondContact O-N 3.38Å; E311-N314 WeakPolarHBondContact O-CB 3.2Å; E311-N314 PolarHBondContact O-N 3.41Å; E311-N314 VanDerWaalsContact O-N 3.09Å; E311-Q315 HydrophobicContact CG-CG 4.48Å; E311-Q315 WeakPolarHBondContact O-CG 3.4Å; E311-Q315 PolarHBondContact O-N 3.45Å; E311-Q315 PolarHBondContact OE1-NE2 2.87Å
312L88.2Confident78.7Confident0 Ų064.7 Ų64.70%032%0.318CS..Hα-helixtrans-58.9-41.3175.5-176.4133.4000111.9L255 V267 I284 I290 T308 M309 L316 L341L255-L312 HydrophobicContact CD1-CD1 4.03Å; V267-L312 HydrophobicContact CG1-CB 3.93Å; V267-L312 HydrophobicContact CG1-CD1 4.45Å; V267-L312 HydrophobicContact CG1-CG 4.45Å; V267-L312 HydrophobicContact CG2-CB 4.47Å; V267-L312 HydrophobicContact CG2-CD1 4.46Å; I284-L312 HydrophobicContact CD1-CD1 3.84Å; I290-L312 HydrophobicContact CD1-CD1 4.39Å; T308-L312 WeakPolarHBondContact O-CB 3.41Å; T308-L312 PolarHBondContact O-N 2.64Å; M309-L312 PolarHBondContact O-N 2.79Å; L312-L316 HydrophobicContact CD2-CD1 3.67Å; L312-L316 HydrophobicContact CD2-CG 4.49Å; L312-L316 HydrophobicContact CG-CD1 4.35Å; L312-L316 WeakPolarHBondContact O-CB 3.33Å; L312-L316 WeakPolarHBondContact O-CG 3.43Å; L312-L316 PolarHBondContact O-N 2.93Å; L312-L341 HydrophobicContact CD2-CD2 4.16Å
313L85.4Confident77.8Confident3 Ų364 Ų642%0.01632%0.324CS..Hα-helixtrans-63.4-41.2173.5-71.9174.4000113M309 L310 E311 L316 D317 A340 L341M309-L313 HydrophobicContact CG-CD1 4.45Å; M309-L313 VanDerWaalsContact O-CG 3.31Å; M309-L313 WeakPolarHBondContact O-CG 3.43Å; M309-L313 PolarHBondContact O-N 2.91Å; L310-L313 WeakPolarHBondContact O-CB 3.48Å; L310-L313 PolarHBondContact O-N 3.12Å; E311-L313 VanDerWaalsContact C-N 3.29Å; E311-L313 PolarHBondContact O-N 3.38Å; L313-L316 PolarHBondContact O-N 3.34Å; L313-D317 PolarHBondContact O-N 3.09Å; L313-A340 HydrophobicContact CD1-CB 3.91Å; L313-L341 HydrophobicContact CD2-CB 4.37Å; L313-L341 HydrophobicContact CD2-CD2 3.26Å; L313-L341 HydrophobicContact CD2-CG 3.76Å; L313-L341 HydrophobicContact CG-CD2 4.06Å; L313-L341 HydrophobicContact CG-CG 4.47Å
314N86.3Confident77.6Confident91 Ų9161 Ų6149%0.48732%0.319SS..Hα-helixtrans-66.6-43.2178.7-71.3-17.2000111.6L310 E311 D317 G318L310-N314 PolarHBondContact O-N 3.45Å; L310-N314 PolarHBondContact O-ND2 3.36Å; E311-N314 WeakPolarHBondContact O-CB 3.2Å; E311-N314 PolarHBondContact O-N 3.41Å; E311-N314 VanDerWaalsContact O-N 3.09Å; N314-D317 PolarHBondContact O-N 3.48Å; N314-G318 PolarHBondContact O-N 2.94Å
315Q84.9Confident77.7Confident52 Ų5261.1 Ų61.124%0.24332%0.321CS..Hα-helixtrans-62.2-47.6175.6-65.9-57.7-37.900110.2V267 F271 E311 D317 G318 F319V267-Q315 HydrophobicContact CG1-CG 4.12Å; F271-Q315 HydrophobicContact CD2-CB 3.38Å; F271-Q315 HydrophobicContact CD2-CG 3.89Å; F271-Q315 HydrophobicContact CE2-CB 3.58Å; F271-Q315 HydrophobicContact CE2-CG 4.41Å; F271-Q315 HydrophobicContact CG-CB 4.08Å; F271-Q315 HydrophobicContact CZ-CB 4.4Å; E311-Q315 HydrophobicContact CG-CG 4.48Å; E311-Q315 WeakPolarHBondContact O-CG 3.4Å; E311-Q315 PolarHBondContact O-N 3.45Å; E311-Q315 PolarHBondContact OE1-NE2 2.87Å; Q315-D317 VanDerWaalsContact C-N 3.31Å; Q315-D317 PolarHBondContact O-N 3Å; Q315-G318 PolarHBondContact O-N 2.71Å; Q315-G318 VanDerWaalsContact O-N 3.12Å; Q315-F319 HydrophobicContact CB-CE2 4.36Å; Q315-F319 WeakPolarHBondContact O-CD2 3.49Å; Q315-F319 WeakPolarHBondContact O-CE2 3.46Å; Q315-F319 PolarHBondContact O-N 2.9Å
316L81.7Confident77.8Confident11 Ų1161 Ų616%0.05832%0.32CS..Hα-helixtrans-56.6-39.1176.6-72.6173.8000114.1F271 L312 L313 V327 M329F271-L316 HydrophobicContact CE1-CD2 4.13Å; F271-L316 HydrophobicContact CZ-CD2 3.64Å; F271-L316 HydrophobicContact CZ-CG 4.03Å; L312-L316 HydrophobicContact CD2-CD1 3.67Å; L312-L316 HydrophobicContact CD2-CG 4.49Å; L312-L316 HydrophobicContact CG-CD1 4.35Å; L312-L316 WeakPolarHBondContact O-CB 3.33Å; L312-L316 WeakPolarHBondContact O-CG 3.43Å; L312-L316 PolarHBondContact O-N 2.93Å; L313-L316 PolarHBondContact O-N 3.34Å; L316-V327 HydrophobicContact CD2-CB 4.01Å; L316-V327 HydrophobicContact CD2-CG1 4.01Å; L316-V327 HydrophobicContact CD2-CG2 3.58Å; L316-M329 HydrophobicContact CD1-CE 4.11Å
317D76Confident78Confident69 Ų6956.3 Ų56.337%0.36930%0.298SS..Hα-helixtrans-72.9-39.5176-85.5-16.4000112.4L313 N314 Q315 F319 R346L313-D317 PolarHBondContact O-N 3.09Å; N314-D317 PolarHBondContact O-N 3.48Å; Q315-D317 VanDerWaalsContact C-N 3.31Å; Q315-D317 PolarHBondContact O-N 3Å; D317-F319 PolarHBondContact O-N 3.05Å; D317-R346 WeakPolarHBondContact OD1-CD 3.48Å; D317-R346 WeakPolarHBondContact OD1-CG 3.37Å; D317-R346 IonicContact OD1-CZ 3.67Å; D317-R346 IonicContact OD1-NE 2.79Å; D317-R346 PolarHBondContact OD1-NE 3.42Å; D317-R346 IonicContact OD2-CZ 2.78Å; D317-R346 IonicContact OD2-NE 3.21Å; D317-R346 PolarHBondContact OD2-NE 3.27Å; D317-R346 IonicContact OD2-NH2 3.5Å; D317-R346 PolarHBondContact OD2-NH2 3.18Å
318G66.8Low78.2Confident57 Ų5749.5 Ų49.559%0.58827%0.273SS*.Hα-helixtrans-65.9-15.2-173.300000114.6N314 Q315 D320N314-G318 PolarHBondContact O-N 2.94Å; Q315-G318 PolarHBondContact O-N 2.71Å; Q315-G318 VanDerWaalsContact O-N 3.12Å; G318-D320 PolarHBondContact O-N 3.15Å
319F62.4Low78.3Confident41 Ų4149.5 Ų49.518%0.1827%0.273CS..  trans-69.192173.4-63.5-62.6000111K220 F271 Q315 D317K220-F319 PolarHBondContact NZ-O 3.16Å; F271-F319 HydrophobicContact CB-CE1 4.49Å; F271-F319 HydrophobicContact CB-CZ 3.7Å; F271-F319 HydrophobicContact CD1-CE1 4.18Å; F271-F319 AromaticContact CD1-CE2 3.27Å; F271-F319 HydrophobicContact CD1-CE2 3.27Å; F271-F319 AromaticContact CD1-CZ 3.08Å; F271-F319 HydrophobicContact CD1-CZ 3.08Å; F271-F319 HydrophobicContact CD2-CE2 4.46Å; F271-F319 HydrophobicContact CD2-CZ 4.33Å; F271-F319 HydrophobicContact CE1-CD2 4.41Å; F271-F319 AromaticContact CE1-CE2 3.34Å; F271-F319 HydrophobicContact CE1-CE2 3.34Å; F271-F319 AromaticContact CE1-CZ 3.72Å; F271-F319 HydrophobicContact CE1-CZ 3.72Å; F271-F319 AromaticContact CG-CE2 3.88Å; F271-F319 HydrophobicContact CG-CE2 3.88Å; F271-F319 AromaticContact CG-CZ 3.45Å; F271-F319 HydrophobicContact CG-CZ 3.45Å; F271-F319 VanDerWaalsContact CG-CZ 3.45Å; F271-F319 HydrophobicContact CZ-CE2 4.02Å; Q315-F319 HydrophobicContact CB-CE2 4.36Å; Q315-F319 WeakPolarHBondContact O-CD2 3.49Å; Q315-F319 WeakPolarHBondContact O-CE2 3.46Å; Q315-F319 PolarHBondContact O-N 2.9Å; D317-F319 PolarHBondContact O-N 3.05Å
320D55.2Low78.6Confident118 Ų11849.3 Ų49.363%0.63127%0.272SS*.  trans-93.4110.8174.8-142.3-0.3000110.8G318 R322G318-D320 PolarHBondContact O-N 3.15Å; D320-R322 VanDerWaalsContact C-N 3.28Å; D320-R322 PolarHBondContact O-N 2.89Å
321S55.1Low78.8Confident101 Ų10145.5 Ų45.571%0.70625%0.252SS*.SBendtrans58.1-9.4154.769.20000122
322R56.1Low78.9Confident231 Ų23147.3 Ų47.387%0.87226%0.262SS*.  trans-118-24.9-174.2-74.9-175.9171.6-173.2-2.8116.6D320D320-R322 VanDerWaalsContact C-N 3.28Å; D320-R322 PolarHBondContact O-N 2.89Å
323G60.6Low78.7Confident36 Ų3654.5 Ų54.537%0.37129%0.29SS..  trans-85.2124.6-177.900000112.8V325G323-V325 PolarHBondContact O-N 2.8Å
324D79.2Confident78.8Confident80 Ų8056.2 Ų56.243%0.42830%0.298SS..  trans-74.442.4168.1-71.7-37.5000112.1L205 P279 S280L205-D324 HydrophobicContact CD2-CB 4.13Å; P279-D324 HydrophobicContact CB-CB 3.89Å; S280-D324 PolarHBondContact N-O 3.42Å; S280-D324 VanDerWaalsContact N-O 3.15Å
325V86.1Confident78.8Confident15 Ų1557.4 Ų57.49%0.09130%0.301CS..EExtended strand (participates in β ladder)trans-98.5120.7179.5-174.30000109A274 S280 V282 G323A274-V325 HydrophobicContact CB-CG1 3.97Å; A274-V325 HydrophobicContact CB-CG2 4.43Å; S280-V325 WeakPolarHBondContact O-CA 3.17Å; V282-V325 HydrophobicContact CG2-CG1 3.97Å; G323-V325 PolarHBondContact O-N 2.8Å
326K87.3Confident78.7Confident13 Ų1357 Ų576%0.05730%0.302CS..EExtended strand (participates in β ladder)trans-110.8135177.2-58.1-57-179-171.60110.6V201 P219 S280 I281 V282V201-K326 HydrophobicContact CG1-CB 4.29Å; V201-K326 HydrophobicContact CG1-CG 4.45Å; P219-K326 PolarHBondContact O-NZ 3.41Å; S280-K326 PolarHBondContact O-N 2.89Å; I281-K326 CarbonylContact C-O 3.6Å; I281-K326 WeakPolarHBondContact CA-O 3.42Å; I281-K326 HydrophobicContact CG1-CB 4.48Å; V282-K326 PolarHBondContact N-O 3.19Å
327V89.4Confident78.8Confident7 Ų756.5 Ų56.54%0.04230%0.299CS..EExtended strand (participates in β ladder)trans-110125.3-179.5-172.70000111K220 G221 V222 F271 V282 I284 L316 M329K220-V327 PolarHBondContact O-N 3.26Å; G221-V327 VanDerWaalsContact CA-O 3.29Å; G221-V327 WeakPolarHBondContact CA-O 3.2Å; V222-V327 PolarHBondContact N-O 2.95Å; F271-V327 HydrophobicContact CE1-CG2 4.12Å; V282-V327 HydrophobicContact CB-CG2 4.32Å; V282-V327 CarbonylContact O-C 3.4Å; V282-V327 WeakPolarHBondContact O-CA 3.41Å; I284-V327 HydrophobicContact CD1-CG1 4.28Å; L316-V327 HydrophobicContact CD2-CB 4.01Å; L316-V327 HydrophobicContact CD2-CG1 4.01Å; L316-V327 HydrophobicContact CD2-CG2 3.58Å; V327-M329 HydrophobicContact CG1-CE 4.06Å; V327-M329 HydrophobicContact CG1-CG 4.18Å
328I90.8Very high79.1Confident0 Ų055 Ų550%029%0.292CS..EExtended strand (participates in β ladder)trans-113.8121.4174.8-56.9175.4000108V201 V222 L224 A236 I281 V282 F283 I284V201-I328 HydrophobicContact CG1-CD1 4.49Å; V201-I328 HydrophobicContact CG2-CD1 4.14Å; V201-I328 HydrophobicContact CG2-CG1 4.25Å; V222-I328 WeakPolarHBondContact O-CA 3.37Å; L224-I328 HydrophobicContact CD1-CG2 3.82Å; L224-I328 HydrophobicContact CG-CG2 4.05Å; A236-I328 HydrophobicContact CB-CG2 4.3Å; I281-I328 HydrophobicContact CG2-CD1 3.72Å; I281-I328 HydrophobicContact CG2-CG1 4.13Å; V282-I328 PolarHBondContact O-N 2.9Å; F283-I328 WeakPolarHBondContact CA-O 3.35Å; F283-I328 HydrophobicContact CD2-CB 3.93Å; F283-I328 HydrophobicContact CD2-CG2 3.72Å; F283-I328 HydrophobicContact CE2-CG2 4.05Å; I284-I328 PolarHBondContact N-O 3.3Å
329M91.5Very high79.9Confident2 Ų255.9 Ų55.91%0.0129%0.287CS..EExtended strand (participates in β ladder)trans-111.8129.3178.4-69.2173.8-108.500109.9V222 I223 L224 I284 I287 L316 V327 I347V222-M329 PolarHBondContact O-N 3.17Å; I223-M329 CarbonylContact C-O 3.55Å; I223-M329 WeakPolarHBondContact CA-O 3.25Å; I223-M329 HydrophobicContact CG1-CB 3.99Å; I223-M329 HydrophobicContact CG1-SD 4.47Å; L224-M329 PolarHBondContact N-O 3.24Å; I284-M329 HydrophobicContact CB-CG 4.39Å; I284-M329 WeakPolarHBondContact O-CA 3.4Å; I287-M329 HydrophobicContact CD1-CB 4.29Å; I287-M329 HydrophobicContact CD1-CG 3.78Å; I287-M329 HydrophobicContact CD1-SD 3.42Å; I287-M329 WeakPolarHBondContact CD1-SD 3.37Å; I287-M329 HydrophobicContact CG2-CB 4.42Å; L316-M329 HydrophobicContact CD1-CE 4.11Å; V327-M329 HydrophobicContact CG1-CE 4.06Å; V327-M329 HydrophobicContact CG1-CG 4.18Å; M329-I347 HydrophobicContact CE-CD1 3.29Å; M329-I347 HydrophobicContact CE-CG1 3.58Å; M329-I347 HydrophobicContact SD-CD1 3.82Å
330A92.2Very high80.7Confident3 Ų355.4 Ų55.43%0.02529%0.29CS..EExtended strand (participates in β ladder)trans-109.6131.1173.600000111L224 F283 I284 E286 I287L224-A330 WeakPolarHBondContact O-CA 3.5Å; F283-A330 HydrophobicContact CE2-CB 3.92Å; F283-A330 HydrophobicContact CZ-CB 4.02Å; I284-A330 PolarHBondContact O-N 3.22Å; E286-A330 PolarHBondContact N-O 2.95Å; E286-A330 VanDerWaalsContact N-O 3.17Å; I287-A330 PolarHBondContact N-O 3.38Å; I287-A330 VanDerWaalsContact N-O 3.16Å
331T91.3Very high81.9Confident2 Ų249.9 Ų49.91%0.01226%0.261CS..EExtended strand (participates in β ladder)trans-136.1142.8176.5-178.30000110.9I223 L224 Y225 K232 R333 I334 L337I223-T331 HydrophobicContact CG2-CG2 4.13Å; L224-T331 PolarHBondContact O-N 2.93Å; Y225-T331 WeakPolarHBondContact CA-O 3.24Å; K232-T331 PolarHBondContact NZ-O 3.24Å; T331-R333 PolarHBondContact OG1-N 3.01Å; T331-R333 PolarHBondContact OG1-O 2.87Å; T331-R333 VanDerWaalsContact OG1-O 3.11Å; T331-I334 HydrophobicContact CG2-CB 4.46Å; T331-L337 HydrophobicContact CG2-CD1 3.73Å
332N90.1Very high83Confident61 Ų6146.7 Ų46.733%0.32624%0.236SC..SBendtrans-82.6-24.4172.3-67.8-37.3000112.9G226 K232G226-N332 CarbonylContact O-C 3.54Å; K232-N332 PolarHBondContact NZ-OD1 2.95Å
333R84.9Confident84.2Confident151 Ų15144 Ų4457%0.5723%0.225SC*.  trans-138.3102.6-173.5-70-174-170.6177.42.1109.2T331 E335 T336T331-R333 PolarHBondContact OG1-N 3.01Å; T331-R333 PolarHBondContact OG1-O 2.87Å; T331-R333 VanDerWaalsContact OG1-O 3.11Å; R333-E335 VanDerWaalsContact C-N 3.27Å; R333-E335 WeakPolarHBondContact CA-OE2 3.16Å; R333-E335 VanDerWaalsContact CB-OE1 3.24Å; R333-E335 WeakPolarHBondContact CB-OE1 3.41Å; R333-E335 VanDerWaalsContact CG-OE1 3.29Å; R333-E335 WeakPolarHBondContact CG-OE1 3.31Å; R333-E335 PolarHBondContact O-N 3.15Å; R333-T336 HydrophobicContact CB-CG2 4.12Å; R333-T336 WeakPolarHBondContact CB-OG1 3.43Å; R333-T336 PolarHBondContact O-OG1 3.24Å
334I86.5Confident84.9Confident39 Ų3947.5 Ų47.520%0.224%0.241CC..SBendtrans-72.9-26.3-178.9-167.5167.1000111.6Y225 T331 T336 L337 I342Y225-I334 HydrophobicContact CD1-CD1 3.84Å; Y225-I334 HydrophobicContact CD2-CB 3.97Å; Y225-I334 HydrophobicContact CD2-CD1 4.04Å; Y225-I334 HydrophobicContact CD2-CG2 3.78Å; Y225-I334 HydrophobicContact CE1-CD1 4.06Å; Y225-I334 HydrophobicContact CE2-CD1 4.23Å; Y225-I334 HydrophobicContact CE2-CG2 4.12Å; Y225-I334 HydrophobicContact CG-CB 4.11Å; Y225-I334 HydrophobicContact CG-CD1 3.82Å; Y225-I334 HydrophobicContact CG-CG2 4.42Å; T331-I334 HydrophobicContact CG2-CB 4.46Å; I334-T336 VanDerWaalsContact C-N 3.32Å; I334-T336 PolarHBondContact O-N 3.1Å; I334-L337 WeakPolarHBondContact O-CB 3.48Å; I334-L337 PolarHBondContact O-N 3.39Å; I334-I342 HydrophobicContact CG1-CD1 3.98Å
335E86.6Confident84.6Confident116 Ų11645.7 Ų45.754%0.54224%0.242SC..THydrogen-bonded Turntrans-67.4-30.3-179.465.8-77.3-178.900113.5K293 R333 L337K293-E335 PolarHBondContact NZ-O 3.49Å; R333-E335 VanDerWaalsContact C-N 3.27Å; R333-E335 WeakPolarHBondContact CA-OE2 3.16Å; R333-E335 VanDerWaalsContact CB-OE1 3.24Å; R333-E335 WeakPolarHBondContact CB-OE1 3.41Å; R333-E335 VanDerWaalsContact CG-OE1 3.29Å; R333-E335 WeakPolarHBondContact CG-OE1 3.31Å; R333-E335 PolarHBondContact O-N 3.15Å; E335-L337 VanDerWaalsContact C-N 3.32Å
336T84.1Confident84.2Confident43 Ų4347 Ų4726%0.26425%0.245SC..THydrogen-bonded Turntrans-77.2-20.6178.550.20000112.7T292 K293 R333 I334T292-T336 WeakPolarHBondContact CA-O 3.38Å; K293-T336 PolarHBondContact N-O 3.41Å; R333-T336 HydrophobicContact CB-CG2 4.12Å; R333-T336 WeakPolarHBondContact CB-OG1 3.43Å; R333-T336 PolarHBondContact O-OG1 3.24Å; I334-T336 VanDerWaalsContact C-N 3.32Å; I334-T336 PolarHBondContact O-N 3.1Å
337L83.4Confident83.9Confident1 Ų146.5 Ų46.51%0.00524%0.243CC..BIsolated β-bridgetrans-70.7145.7-178.4-65.6-178.5000112.5I287 D288 G291 K293 T331 I334 E335 L341 I342I287-L337 HydrophobicContact CG2-CD1 4.22Å; I287-L337 HydrophobicContact CG2-CD2 4Å; D288-L337 HydrophobicContact CB-CD2 4.21Å; G291-L337 CarbonylContact O-C 3.39Å; G291-L337 VanDerWaalsContact O-CA 3.28Å; G291-L337 WeakPolarHBondContact O-CA 3.48Å; K293-L337 WeakPolarHBondContact CE-O 3.22Å; K293-L337 PolarHBondContact NZ-O 3.02Å; T331-L337 HydrophobicContact CG2-CD1 3.73Å; I334-L337 WeakPolarHBondContact O-CB 3.48Å; I334-L337 PolarHBondContact O-N 3.39Å; E335-L337 VanDerWaalsContact C-N 3.32Å; L337-L341 HydrophobicContact CD2-CD1 4.47Å; L337-I342 HydrophobicContact CB-CD1 4.1Å
338D82.3Confident83.5Confident39 Ų3949.6 Ų49.621%0.20926%0.259CS..  trans-58.2129171.8-166.9-35.1000110.6G291 M309 A340 L341G291-D338 PolarHBondContact O-N 2.84Å; M309-D338 HydrophobicContact CE-CB 4.26Å; M309-D338 WeakPolarHBondContact CE-OD2 3.29Å; M309-D338 HydrophobicContact SD-CB 3.94Å; D338-A340 PolarHBondContact O-N 3.18Å; D338-A340 VanDerWaalsContact OD1-CB 3.24Å; D338-A340 WeakPolarHBondContact OD1-CB 3.24Å; D338-A340 PolarHBondContact OD1-N 2.83Å; D338-L341 HydrophobicContact CB-CD1 4.47Å; D338-L341 WeakPolarHBondContact O-CB 3.28Å; D338-L341 PolarHBondContact O-N 2.95Å
339P82Confident83.4Confident74 Ų7455.5 Ų55.548%0.48128%0.282SS..THydrogen-bonded Turntrans-57.5-22.3175.5-23.336.5000113.3L341 I342 R343P339-L341 VanDerWaalsContact C-N 3.3Å; P339-L341 PolarHBondContact O-N 2.81Å; P339-I342 PolarHBondContact O-N 2.97Å; P339-I342 VanDerWaalsContact O-N 3.16Å; P339-R343 PolarHBondContact O-N 3.38Å
340A80.3Confident83.3Confident31 Ų3159.6 Ų59.626%0.25630%0.3SS..THydrogen-bonded Turntrans-63.1-32.7175.500000113L313 D338 R346L313-A340 HydrophobicContact CD1-CB 3.91Å; D338-A340 PolarHBondContact O-N 3.18Å; D338-A340 VanDerWaalsContact OD1-CB 3.24Å; D338-A340 WeakPolarHBondContact OD1-CB 3.24Å; D338-A340 PolarHBondContact OD1-N 2.83Å; A340-R346 WeakPolarHBondContact O-CD 3.36Å; A340-R346 PolarHBondContact O-NH1 3.46Å
341L80.1Confident83.2Confident2 Ų259.5 Ų59.51%0.0130%0.299CS..THydrogen-bonded Turntrans-68.8-39.6172.8-75.3160.9000110.8I287 L312 L313 L337 D338 P339 R343 I347I287-L341 HydrophobicContact CD1-CD1 4.49Å; I287-L341 HydrophobicContact CD1-CD2 4.32Å; L312-L341 HydrophobicContact CD2-CD2 4.16Å; L313-L341 HydrophobicContact CD2-CB 4.37Å; L313-L341 HydrophobicContact CD2-CD2 3.26Å; L313-L341 HydrophobicContact CD2-CG 3.76Å; L313-L341 HydrophobicContact CG-CD2 4.06Å; L313-L341 HydrophobicContact CG-CG 4.47Å; L337-L341 HydrophobicContact CD2-CD1 4.47Å; D338-L341 HydrophobicContact CB-CD1 4.47Å; D338-L341 WeakPolarHBondContact O-CB 3.28Å; D338-L341 PolarHBondContact O-N 2.95Å; P339-L341 VanDerWaalsContact C-N 3.3Å; P339-L341 PolarHBondContact O-N 2.81Å; L341-R343 PolarHBondContact O-N 2.67Å; L341-I347 WeakPolarHBondContact O-CD1 2.87Å; L341-I347 WeakPolarHBondContact O-CG1 3.49Å
342I79.4Confident83.2Confident35 Ų3564.8 Ų64.818%0.17932%0.323CS..SBendtrans-81.1-3.9-168.6-59.1175.3000112.7I334 L337 P339 K350I334-I342 HydrophobicContact CG1-CD1 3.98Å; L337-I342 HydrophobicContact CB-CD1 4.1Å; P339-I342 PolarHBondContact O-N 2.97Å; P339-I342 VanDerWaalsContact O-N 3.16Å; I342-K350 HydrophobicContact CG2-CD 4.27Å; I342-K350 WeakPolarHBondContact O-CE 3.36Å; I342-K350 PolarHBondContact O-NZ 3.08Å
343R81.2Confident83.2Confident174 Ų17461.9 Ų61.966%0.65731%0.308SS*.SBendtrans-66.5131.9-175.7-166.6178.2-176.5-176.70.2111.3P339 L341 G345 R346P339-R343 PolarHBondContact O-N 3.38Å; L341-R343 PolarHBondContact O-N 2.67Å; R343-G345 PolarHBondContact O-N 3.18Å; R343-R346 PolarHBondContact O-N 2.9Å
344P74.1Confident83.3Confident109 Ų10957.5 Ų57.571%0.70830%0.299SS*.THydrogen-bonded Turntrans-59.5136175.624.6-33.6000110.7
345G72.6Confident83.3Confident42 Ų4259.3 Ų59.343%0.43331%0.308SS..THydrogen-bonded Turntrans113-30.9-173.200000114R343R343-G345 PolarHBondContact O-N 3.18Å
346R78.9Confident83.2Confident42 Ų4254.5 Ų54.516%0.15829%0.287CS..THydrogen-bonded Turntrans-91.6-46.1170-71.4168.4-177.5-174.2-8.1111.1D317 A340 R343D317-R346 WeakPolarHBondContact OD1-CD 3.48Å; D317-R346 WeakPolarHBondContact OD1-CG 3.37Å; D317-R346 IonicContact OD1-CZ 3.67Å; D317-R346 IonicContact OD1-NE 2.79Å; D317-R346 PolarHBondContact OD1-NE 3.42Å; D317-R346 IonicContact OD2-CZ 2.78Å; D317-R346 IonicContact OD2-NE 3.21Å; D317-R346 PolarHBondContact OD2-NE 3.27Å; D317-R346 IonicContact OD2-NH2 3.5Å; D317-R346 PolarHBondContact OD2-NH2 3.18Å; A340-R346 WeakPolarHBondContact O-CD 3.36Å; A340-R346 PolarHBondContact O-NH1 3.46Å; R343-R346 PolarHBondContact O-N 2.9Å
347I80.5Confident83.3Confident3 Ų358 Ų582%0.01530%0.304CS..  trans-129.9108.9-175.4-54.3179.1000107I223 M329 L341 R349I223-I347 HydrophobicContact CB-CG2 4.15Å; I223-I347 HydrophobicContact CD1-CB 4.47Å; I223-I347 HydrophobicContact CD1-CD1 3.16Å; I223-I347 HydrophobicContact CD1-CG1 4.32Å; I223-I347 HydrophobicContact CD1-CG2 3.9Å; I223-I347 HydrophobicContact CG1-CD1 3.56Å; I223-I347 HydrophobicContact CG1-CG1 4.48Å; I223-I347 HydrophobicContact CG1-CG2 3.69Å; M329-I347 HydrophobicContact CE-CD1 3.29Å; M329-I347 HydrophobicContact CE-CG1 3.58Å; M329-I347 HydrophobicContact SD-CD1 3.82Å; L341-I347 WeakPolarHBondContact O-CD1 2.87Å; L341-I347 WeakPolarHBondContact O-CG1 3.49Å; I347-R349 WeakPolarHBondContact CG2-O 3.42Å
348D81.6Confident83.4Confident72 Ų7263.9 Ų63.939%0.38533%0.332SS..  trans-85.8-29.6-174.4-60.9-68.9000111.6P219 K220 G221P219-D348 WeakPolarHBondContact CA-OD2 2.95Å; P219-D348 HydrophobicContact CB-CB 3.75Å; K220-D348 PolarHBondContact N-OD2 2.85Å; G221-D348 PolarHBondContact O-N 2.91Å; G221-D348 VanDerWaalsContact O-N 3.12Å
349R87.2Confident83.6Confident125 Ų12570.9 Ų70.947%0.47236%0.36SS..EExtended strand (participates in β ladder)trans-127.8132.7-173.9-62.5-67.3-175.5167.80.4112.3S200 G221 V222 I223 I347S200-R349 WeakPolarHBondContact OG-CG 3.38Å; G221-R349 PolarHBondContact O-N 2.95Å; V222-R349 WeakPolarHBondContact CA-O 3.43Å; V222-R349 HydrophobicContact CG1-CB 4.31Å; V222-R349 HydrophobicContact CG2-CB 4.31Å; I223-R349 PolarHBondContact N-O 2.96Å; I347-R349 WeakPolarHBondContact CG2-O 3.42Å
350K89.6Confident83.9Confident88 Ų8868.3 Ų68.338%0.38334%0.343SS..EExtended strand (participates in β ladder)trans-122.9104.9179.1-58.9173.7-169.5171.10107.4Y225 I342Y225-K350 HydrophobicContact CE1-CB 3.92Å; I342-K350 HydrophobicContact CG2-CD 4.27Å; I342-K350 WeakPolarHBondContact O-CE 3.36Å; I342-K350 PolarHBondContact O-NZ 3.08Å
351I90.5Very high84.2Confident1 Ų167.7 Ų67.71%0.00534%0.335CS..EExtended strand (participates in β ladder)trans-100.5115.8-175.5-54.2-179.3000108.3Q193 E196 I197 V222 I223 L224 Y225 F353Q193-I351 HydrophobicContact CB-CG2 3.67Å; Q193-I351 HydrophobicContact CG-CG2 3.56Å; E196-I351 HydrophobicContact CB-CD1 3.98Å; E196-I351 HydrophobicContact CB-CG1 4.39Å; I197-I351 HydrophobicContact CB-CD1 3.8Å; I197-I351 HydrophobicContact CG1-CD1 4.24Å; V222-I351 HydrophobicContact CG1-CD1 3.59Å; V222-I351 HydrophobicContact CG1-CG1 3.92Å; I223-I351 PolarHBondContact O-N 2.6Å; L224-I351 HydrophobicContact CD2-CB 3.96Å; L224-I351 HydrophobicContact CD2-CD1 3.99Å; L224-I351 HydrophobicContact CD2-CG1 4.34Å; Y225-I351 VanDerWaalsContact CD1-O 3.23Å; Y225-I351 WeakPolarHBondContact CD1-O 3.47Å; Y225-I351 PolarHBondContact N-O 2.86Å; I351-F353 HydrophobicContact CB-CE2 4.43Å; I351-F353 HydrophobicContact CG2-CD2 4.48Å; I351-F353 HydrophobicContact CG2-CE2 3.97Å
352E90.9Very high84.6Confident112 Ų11271 Ų7152%0.52335%0.349SS..EExtended strand (participates in β ladder)trans-85.8133.2174.6-167.4176.4177.200110.6Q193 Y225 P354Q193-E352 WeakPolarHBondContact CG-O 3.19Å; Q193-E352 PolarHBondContact NE2-O 2.8Å; Y225-E352 HydrophobicContact CD2-CG 4.25Å; Y225-E352 HydrophobicContact CE1-CB 3.95Å; Y225-E352 HydrophobicContact CE2-CB 3.88Å; Y225-E352 HydrophobicContact CE2-CG 3.64Å; E352-P354 VanDerWaalsContact O-CD 3.23Å; E352-P354 WeakPolarHBondContact O-CD 3.43Å
353F89.9Confident85Confident1 Ų175.8 Ų75.80%0.00437%0.365CS..  trans-101.599.9172.6-73.2-105.4000108.9L190 L224 Y225 P227 T230 K232 L235 I351L190-F353 HydrophobicContact CD1-CD1 3.75Å; L190-F353 HydrophobicContact CD1-CE1 3.98Å; L224-F353 HydrophobicContact CB-CD2 4.38Å; L224-F353 HydrophobicContact CB-CE2 3.65Å; L224-F353 HydrophobicContact CB-CZ 4.38Å; L224-F353 HydrophobicContact CD1-CE2 4.39Å; L224-F353 HydrophobicContact CD1-CZ 4.34Å; L224-F353 HydrophobicContact CD2-CE2 3.78Å; L224-F353 HydrophobicContact CD2-CZ 4.17Å; L224-F353 HydrophobicContact CG-CE2 4.12Å; Y225-F353 WeakPolarHBondContact O-CD2 3.19Å; Y225-F353 PolarHBondContact O-N 2.89Å; P227-F353 WeakPolarHBondContact CD-O 3.45Å; T230-F353 HydrophobicContact CG2-CB 4.4Å; T230-F353 WeakPolarHBondContact OG1-CB 3.37Å; K232-F353 HydrophobicContact CB-CZ 4.47Å; K232-F353 HydrophobicContact CD-CD2 4.31Å; K232-F353 HydrophobicContact CG-CB 4.42Å; K232-F353 HydrophobicContact CG-CD1 4.09Å; K232-F353 HydrophobicContact CG-CD2 3.74Å; K232-F353 HydrophobicContact CG-CE1 4.27Å; K232-F353 HydrophobicContact CG-CE2 3.95Å; K232-F353 HydrophobicContact CG-CG 3.81Å; K232-F353 HydrophobicContact CG-CZ 4.18Å; L235-F353 HydrophobicContact CB-CE1 4.47Å; L235-F353 HydrophobicContact CB-CZ 4.37Å; L235-F353 HydrophobicContact CD2-CE1 4.02Å; L235-F353 HydrophobicContact CD2-CZ 3.54Å; I351-F353 HydrophobicContact CB-CE2 4.43Å; I351-F353 HydrophobicContact CG2-CD2 4.48Å; I351-F353 HydrophobicContact CG2-CE2 3.97Å
354P87.9Confident85.4Confident59 Ų5968.5 Ų68.538%0.38334%0.339SS..PPolyproline II helixtrans-69.6166.317330.3-35.2000110.9L190 E352L190-P354 HydrophobicContact CD2-CG 4.41Å; E352-P354 VanDerWaalsContact O-CD 3.23Å; E352-P354 WeakPolarHBondContact O-CD 3.43Å
355L85.8Confident86.1Confident76 Ų7663.5 Ų63.540%0.39831%0.306SS..PPolyproline II helixtrans-61.1147.1164.9-71.5167.8000109.7P227 D357P227-L355 HydrophobicContact CB-CD2 4.49Å; P227-L355 HydrophobicContact CG-CD2 3.89Å; P227-L355 HydrophobicContact CG-CG 4.09Å; L355-D357 PolarHBondContact O-N 3.44Å
356P85.4Confident86.9Confident15 Ų1564.9 Ų64.910%0.09730%0.301CS..PPolyproline II helixtrans-70128.7-173.327.5-34.4000112T360 K361 I364 L390P356-T360 HydrophobicContact CB-CG2 3.61Å; P356-K361 HydrophobicContact CB-CG 4.02Å; P356-K361 HydrophobicContact CG-CG 4.04Å; P356-K361 WeakPolarHBondContact O-CE 3.35Å; P356-I364 HydrophobicContact CB-CD1 4.15Å; P356-L390 WeakPolarHBondContact CD-O 2.82Å; P356-L390 WeakPolarHBondContact CG-O 3.32Å
357D86Confident87.4Confident116 Ų11664 Ų6462%0.6230%0.299SS*.PPolyproline II helixtrans-63.5163.3170.3-66.4-30000112.4L355 K359 T360 K361L355-D357 PolarHBondContact O-N 3.44Å; D357-K359 PolarHBondContact O-N 3.46Å; D357-K359 VanDerWaalsContact O-N 3.16Å; D357-T360 CarbonylContact O-C 3.55Å; D357-T360 WeakPolarHBondContact O-CA 3.43Å; D357-T360 WeakPolarHBondContact O-CB 3.11Å; D357-T360 PolarHBondContact O-N 3.24Å; D357-K361 WeakPolarHBondContact O-CG 3.39Å; D357-K361 PolarHBondContact O-N 2.79Å
358E85.2Confident87.7Confident126 Ų12666.6 Ų66.659%0.58931%0.311SS*.Hα-helixtrans-50.6-42.6177-65179.7175.900113.2K361 K362 I384E358-K361 PolarHBondContact O-N 3.37Å; E358-K362 PolarHBondContact O-N 2.96Å; E358-I384 HydrophobicContact CB-CG2 4.2Å
359K86.6Confident87.9Confident185 Ų18563.7 Ų63.780%0.80430%0.296SS*.Hα-helixtrans-63.8-42.7176.1-66.9-179.2-178.1174.20111.8D357 K362 R363D357-K359 PolarHBondContact O-N 3.46Å; D357-K359 VanDerWaalsContact O-N 3.16Å; K359-K362 WeakPolarHBondContact O-CB 3.32Å; K359-K362 PolarHBondContact O-N 2.88Å; K359-R363 PolarHBondContact O-N 2.76Å; K359-R363 VanDerWaalsContact O-N 3.13Å
360T87.6Confident87.9Confident21 Ų2162 Ų6213%0.12930%0.304CS..Hα-helixtrans-66.1-45.6177.9-59.40000110.6G188 P356 D357 K362 R363 I364G188-T360 WeakPolarHBondContact O-CG2 3.34Å; P356-T360 HydrophobicContact CB-CG2 3.61Å; D357-T360 CarbonylContact O-C 3.55Å; D357-T360 WeakPolarHBondContact O-CA 3.43Å; D357-T360 WeakPolarHBondContact O-CB 3.11Å; D357-T360 PolarHBondContact O-N 3.24Å; T360-K362 VanDerWaalsContact C-N 3.32Å; T360-K362 PolarHBondContact O-N 3.5Å; T360-R363 WeakPolarHBondContact O-CB 3.31Å; T360-R363 PolarHBondContact O-N 3.3Å; T360-I364 HydrophobicContact CG2-CD1 3.93Å; T360-I364 HydrophobicContact CG2-CG1 4.48Å; T360-I364 WeakPolarHBondContact O-CG1 3.39Å; T360-I364 PolarHBondContact O-N 3.43Å
361K87.9Confident87.7Confident18 Ų1868 Ų688%0.07832%0.324CS..Hα-helixtrans-54.9-47.6173.1-66-175.9-175.1168.50110.8P356 D357 E358 R363 I364 F365 I384 D388 I395P356-K361 HydrophobicContact CB-CG 4.02Å; P356-K361 HydrophobicContact CG-CG 4.04Å; P356-K361 WeakPolarHBondContact O-CE 3.35Å; D357-K361 WeakPolarHBondContact O-CG 3.39Å; D357-K361 PolarHBondContact O-N 2.79Å; E358-K361 PolarHBondContact O-N 3.37Å; K361-R363 VanDerWaalsContact C-N 3.27Å; K361-R363 PolarHBondContact O-N 3.37Å; K361-I364 PolarHBondContact O-N 2.94Å; K361-F365 VanDerWaalsContact O-CD2 3.29Å; K361-F365 WeakPolarHBondContact O-CD2 3.32Å; K361-F365 PolarHBondContact O-N 3.41Å; K361-I384 HydrophobicContact CB-CG2 4.15Å; K361-D388 PolarHBondContact NZ-O 3.34Å; K361-I395 HydrophobicContact CB-CD1 3.98Å; K361-I395 HydrophobicContact CG-CD1 3.92Å
362K88Confident87.5Confident72 Ų7270.6 Ų70.631%0.31334%0.337SS..Hα-helixtrans-54.6-43.9175.8-169.5168.2179.4158.20112.2E358 K359 T360 Q366 D381 I384E358-K362 PolarHBondContact O-N 2.96Å; K359-K362 WeakPolarHBondContact O-CB 3.32Å; K359-K362 PolarHBondContact O-N 2.88Å; T360-K362 VanDerWaalsContact C-N 3.32Å; T360-K362 PolarHBondContact O-N 3.5Å; K362-Q366 VanDerWaalsContact O-CG 3.29Å; K362-Q366 WeakPolarHBondContact O-CG 2.93Å; K362-Q366 PolarHBondContact O-N 2.9Å; K362-D381 WeakPolarHBondContact CD-OD1 2.98Å; K362-D381 WeakPolarHBondContact CE-OD1 3.42Å; K362-D381 VanDerWaalsContact NZ-CG 3.27Å; K362-D381 IonicContact NZ-OD1 3.75Å; K362-D381 PolarHBondContact NZ-OD1 2.95Å; K362-D381 IonicContact NZ-OD2 2.87Å; K362-D381 PolarHBondContact NZ-OD2 3.31Å; K362-I384 VanDerWaalsContact CA-CD1 3.43Å; K362-I384 HydrophobicContact CB-CD1 3.61Å; K362-I384 HydrophobicContact CD-CD1 4.47Å; K362-I384 HydrophobicContact CG-CD1 3.78Å
363R88.4Confident87.3Confident135 Ų13569.6 Ų69.651%0.50934%0.338SS..Hα-helixtrans-67.9-43.1-179.9-165.561.1175.3164.10.5112.2K359 T360 K361 Q366 I367K359-R363 PolarHBondContact O-N 2.76Å; K359-R363 VanDerWaalsContact O-N 3.13Å; T360-R363 WeakPolarHBondContact O-CB 3.31Å; T360-R363 PolarHBondContact O-N 3.3Å; K361-R363 VanDerWaalsContact C-N 3.27Å; K361-R363 PolarHBondContact O-N 3.37Å; R363-Q366 WeakPolarHBondContact O-CB 3.33Å; R363-Q366 PolarHBondContact O-N 3.38Å; R363-I367 HydrophobicContact CG-CD1 4.28Å; R363-I367 WeakPolarHBondContact O-CG1 3.45Å; R363-I367 PolarHBondContact O-N 3.06Å
364I89.7Confident87.1Confident20 Ų2072.1 Ų72.110%0.10335%0.351CS..Hα-helixtrans-61.9-44.9177.1-63.2167.1000110.6P356 T360 K361 Q366 I367 H368 I395P356-I364 HydrophobicContact CB-CD1 4.15Å; T360-I364 HydrophobicContact CG2-CD1 3.93Å; T360-I364 HydrophobicContact CG2-CG1 4.48Å; T360-I364 WeakPolarHBondContact O-CG1 3.39Å; T360-I364 PolarHBondContact O-N 3.43Å; K361-I364 PolarHBondContact O-N 2.94Å; I364-Q366 PolarHBondContact O-N 2.83Å; I364-I367 PolarHBondContact O-N 3.04Å; I364-H368 PolarHBondContact O-CD2 2.78Å; I364-H368 PolarHBondContact O-N 3.28Å; I364-H368 VanDerWaalsContact O-N 3.12Å; I364-I395 HydrophobicContact CB-CD1 4.2Å; I364-I395 HydrophobicContact CB-CG2 4.35Å; I364-I395 HydrophobicContact CD1-CD1 4.27Å; I364-I395 HydrophobicContact CG2-CB 4Å; I364-I395 HydrophobicContact CG2-CD1 4.12Å; I364-I395 HydrophobicContact CG2-CG2 3.64Å
365F88.5Confident86.9Confident4 Ų470.1 Ų70.12%0.01834%0.34CS..Hα-helixtrans-57.2-49.2174.3-89.1-71.7000111.2K361 I367 H368 T369 I384 I395 I398K361-F365 VanDerWaalsContact O-CD2 3.29Å; K361-F365 WeakPolarHBondContact O-CD2 3.32Å; K361-F365 PolarHBondContact O-N 3.41Å; F365-I367 VanDerWaalsContact C-N 3.31Å; F365-I367 PolarHBondContact O-N 2.83Å; F365-H368 PolarHBondContact O-N 3.5Å; F365-T369 WeakPolarHBondContact O-CB 3.5Å; F365-T369 WeakPolarHBondContact O-CG2 3.03Å; F365-T369 PolarHBondContact O-N 2.89Å; F365-T369 PolarHBondContact O-OG1 3.32Å; F365-I384 HydrophobicContact CD2-CD1 4.32Å; F365-I384 HydrophobicContact CD2-CG1 3.86Å; F365-I384 HydrophobicContact CE2-CG1 4.13Å; F365-I395 HydrophobicContact CD1-CG2 3.71Å; F365-I395 HydrophobicContact CD2-CD1 4.31Å; F365-I395 HydrophobicContact CD2-CG1 4.4Å; F365-I395 HydrophobicContact CD2-CG2 3.75Å; F365-I395 HydrophobicContact CE1-CG2 3.71Å; F365-I395 HydrophobicContact CE2-CB 4.36Å; F365-I395 HydrophobicContact CE2-CD1 4.07Å; F365-I395 HydrophobicContact CE2-CG1 3.82Å; F365-I395 HydrophobicContact CE2-CG2 3.75Å; F365-I395 HydrophobicContact CG-CG2 3.72Å; F365-I395 HydrophobicContact CZ-CB 4.32Å; F365-I395 HydrophobicContact CZ-CG1 4.08Å; F365-I395 HydrophobicContact CZ-CG2 3.72Å; F365-I398 HydrophobicContact CE1-CG2 4.27Å; F365-I398 HydrophobicContact CZ-CD1 4.46Å
366Q88.4Confident86.6Confident72 Ų7274.4 Ų74.434%0.33636%0.363SS..Hα-helixtrans-56.8-42.1178.7-75.9175.1-3.700113.1K362 R363 I364 T369 S370 L380K362-Q366 VanDerWaalsContact O-CG 3.29Å; K362-Q366 WeakPolarHBondContact O-CG 2.93Å; K362-Q366 PolarHBondContact O-N 2.9Å; R363-Q366 WeakPolarHBondContact O-CB 3.33Å; R363-Q366 PolarHBondContact O-N 3.38Å; I364-Q366 PolarHBondContact O-N 2.83Å; Q366-T369 WeakPolarHBondContact CA-OG1 3.27Å; Q366-T369 PolarHBondContact O-OG1 3.12Å; Q366-S370 WeakPolarHBondContact O-CB 3.37Å; Q366-S370 PolarHBondContact O-N 2.9Å; Q366-L380 HydrophobicContact CG-CD1 4.18Å
367I89.7Confident86.3Confident24 Ų2477.2 Ų77.212%0.12338%0.377CS..Hα-helixtrans-64.2-49.6179.9-68.1165000109.9R363 I364 F365 S370R363-I367 HydrophobicContact CG-CD1 4.28Å; R363-I367 WeakPolarHBondContact O-CG1 3.45Å; R363-I367 PolarHBondContact O-N 3.06Å; I364-I367 PolarHBondContact O-N 3.04Å; F365-I367 VanDerWaalsContact C-N 3.31Å; F365-I367 PolarHBondContact O-N 2.83Å; I367-S370 WeakPolarHBondContact O-CB 3.5Å; I367-S370 PolarHBondContact O-N 3.38Å; I367-S370 PolarHBondContact O-OG 2.82Å
368H87.6Confident85.8Confident57 Ų5772.7 Ų72.726%0.26435%0.354SS..Hα-helixtrans-70.2-33.9-179.8-69.4-46000113.3I364 F365 S370 C399I364-H368 PolarHBondContact O-CD2 2.78Å; I364-H368 PolarHBondContact O-N 3.28Å; I364-H368 VanDerWaalsContact O-N 3.12Å; F365-H368 PolarHBondContact O-N 3.5Å; H368-S370 VanDerWaalsContact C-N 3.31Å; H368-S370 PolarHBondContact O-N 3.28Å; H368-C399 HydrophobicContact CB-CB 4.18Å
369T86Confident85.5Confident10 Ų1069.9 Ų69.96%0.06135%0.345CS..Hα-helixtrans-76.7-18.6178.263.40000112.9F365 Q366 R371 M372 L374 L380 F419F365-T369 WeakPolarHBondContact O-CB 3.5Å; F365-T369 WeakPolarHBondContact O-CG2 3.03Å; F365-T369 PolarHBondContact O-N 2.89Å; F365-T369 PolarHBondContact O-OG1 3.32Å; Q366-T369 WeakPolarHBondContact CA-OG1 3.27Å; Q366-T369 PolarHBondContact O-OG1 3.12Å; T369-R371 PolarHBondContact O-N 3.45Å; T369-M372 PolarHBondContact O-N 2.9Å; T369-L374 HydrophobicContact CG2-CD2 4.45Å; T369-L380 HydrophobicContact CG2-CD2 3.92Å; T369-F419 HydrophobicContact CG2-CZ 4.23Å
370S85.6Confident85.1Confident91 Ų9162.3 Ų62.364%0.63631%0.313SS*.THydrogen-bonded Turntrans-59-28.818070.50000113.6Q366 I367 H368Q366-S370 WeakPolarHBondContact O-CB 3.37Å; Q366-S370 PolarHBondContact O-N 2.9Å; I367-S370 WeakPolarHBondContact O-CB 3.5Å; I367-S370 PolarHBondContact O-N 3.38Å; I367-S370 PolarHBondContact O-OG 2.82Å; H368-S370 VanDerWaalsContact C-N 3.31Å; H368-S370 PolarHBondContact O-N 3.28Å
371R85.6Confident84.7Confident214 Ų21464.9 Ų64.981%0.80833%0.326SS*.THydrogen-bonded Turntrans-89.4-8.3177.4-59.9-174.2-174.2-176.54.1112.9T369T369-R371 PolarHBondContact O-N 3.45Å
372M86.1Confident84.1Confident55 Ų5568.7 Ų68.727%0.27135%0.347SS..SBendtrans-100.4145-176.4-65.2179.7175.100111.3T369 L374 C399T369-M372 PolarHBondContact O-N 2.9Å; M372-L374 HydrophobicContact CB-CD2 4.45Å; M372-L374 PolarHBondContact O-N 2.87Å; M372-C399 HydrophobicContact CE-CB 3.85Å; M372-C399 WeakPolarHBondContact CE-O 3.49Å; M372-C399 HydrophobicContact SD-CB 4.12Å
373T87.5Confident83.5Confident90 Ų9065.8 Ų65.855%0.55234%0.335SS*.  trans-82.895.8171.340.20000109.5M412 K413 V414T373-M412 WeakPolarHBondContact CB-O 3.49Å; T373-M412 PolarHBondContact OG1-O 3.38Å; T373-K413 VanDerWaalsContact O-CA 3.3Å; T373-K413 WeakPolarHBondContact O-CA 3.34Å; T373-V414 PolarHBondContact O-N 3.23Å
374L86Confident82.9Confident55 Ų5560 Ų6029%0.28831%0.314SS..BIsolated β-bridgetrans-78.5147.8175.2-56.6177.7000110.8T369 M372 V378 V414 F419T369-L374 HydrophobicContact CG2-CD2 4.45Å; M372-L374 HydrophobicContact CB-CD2 4.45Å; M372-L374 PolarHBondContact O-N 2.87Å; L374-V378 HydrophobicContact CB-CG2 4.43Å; L374-V378 HydrophobicContact CD1-CG1 4.5Å; L374-V378 HydrophobicContact CD2-CG1 4.41Å; L374-V414 HydrophobicContact CD2-CB 4.49Å; L374-F419 HydrophobicContact CD2-CE2 3.78Å; L374-F419 HydrophobicContact CD2-CZ 3.92Å
375A83.3Confident82Confident16 Ų1665.8 Ų65.813%0.13234%0.343CS..  trans-82.2158.8162.600000110.6D377 V378 K413 V414 T415A375-D377 WeakPolarHBondContact CB-OD1 3.49Å; A375-D377 PolarHBondContact O-N 2.95Å; A375-D377 VanDerWaalsContact O-N 3.13Å; A375-V378 WeakPolarHBondContact O-CG2 3.33Å; A375-V378 PolarHBondContact O-N 3.21Å; A375-K413 HydrophobicContact CB-CB 4.15Å; A375-K413 HydrophobicContact CB-CD 4.35Å; A375-V414 PolarHBondContact N-O 2.95Å; A375-T415 HydrophobicContact CB-CG2 4.35Å
376D79.5Confident80.9Confident166 Ų16667.4 Ų67.489%0.88836%0.357SS*.THydrogen-bonded Turntrans-69-10-173.3-56.5-45.6000112.9V378D376-V378 VanDerWaalsContact C-N 3.33Å
377D79.3Confident79.6Confident74 Ų7473.5 Ų73.540%0.39638%0.382SS..THydrogen-bonded Turntrans-81.4-7.1177.267.2-45.5000113.8A375 T379 N416A375-D377 WeakPolarHBondContact CB-OD1 3.49Å; A375-D377 PolarHBondContact O-N 2.95Å; A375-D377 VanDerWaalsContact O-N 3.13Å; D377-T379 PolarHBondContact O-N 2.91Å; D377-N416 PolarHBondContact O-ND2 2.85Å; D377-N416 PolarHBondContact OD2-N 3.49Å
378V75.8Confident78.8Confident22 Ų2274.3 Ų74.313%0.13339%0.387CS..  trans-84.6104.8-174-177.20000111.2L374 A375 D376 L380 V414 F419L374-V378 HydrophobicContact CB-CG2 4.43Å; L374-V378 HydrophobicContact CD1-CG1 4.5Å; L374-V378 HydrophobicContact CD2-CG1 4.41Å; A375-V378 WeakPolarHBondContact O-CG2 3.33Å; A375-V378 PolarHBondContact O-N 3.21Å; D376-V378 VanDerWaalsContact C-N 3.33Å; V378-L380 HydrophobicContact CG1-CD2 4.12Å; V378-V414 WeakPolarHBondContact CG2-O 3.48Å; V378-F419 HydrophobicContact CG1-CD2 4.02Å; V378-F419 HydrophobicContact CG1-CE2 3.86Å; V378-F419 HydrophobicContact CG2-CD2 4.48Å; V378-F419 HydrophobicContact CG2-CE2 4.38Å
379T79.1Confident78.3Confident66 Ų6677.3 Ų77.341%0.40541%0.405SS..  trans-96.899.9169.540.60000110.2D377 D381 D382D377-T379 PolarHBondContact O-N 2.91Å; T379-D381 PolarHBondContact O-N 3.15Å; T379-D382 WeakPolarHBondContact CB-OD2 3.28Å; T379-D382 PolarHBondContact O-N 3.27Å; T379-D382 PolarHBondContact OG1-OD2 3.39Å
380L77.5Confident78.1Confident26 Ų2677.1 Ų77.114%0.13640%0.403CS..Hα-helixtrans-59.6-28.9179.6-64.6176.5000112.9Q366 T369 V378 D382 L383 I384Q366-L380 HydrophobicContact CG-CD1 4.18Å; T369-L380 HydrophobicContact CG2-CD2 3.92Å; V378-L380 HydrophobicContact CG1-CD2 4.12Å; L380-D382 VanDerWaalsContact C-N 3.32Å; L380-D382 PolarHBondContact O-N 2.96Å; L380-L383 HydrophobicContact CD2-CD1 4.45Å; L380-L383 PolarHBondContact O-N 2.86Å; L380-I384 WeakPolarHBondContact O-CD1 3.42Å; L380-I384 VanDerWaalsContact O-CG1 3.29Å; L380-I384 WeakPolarHBondContact O-CG1 3.05Å; L380-I384 PolarHBondContact O-N 3.1Å
381D79.1Confident78.1Confident75 Ų7573.3 Ų73.340%0.40138%0.376SS..Hα-helixtrans-63.8-35.3-178-71.2-34.8000112.8K362 T379 L383 I384 M385K362-D381 WeakPolarHBondContact CD-OD1 2.98Å; K362-D381 WeakPolarHBondContact CE-OD1 3.42Å; K362-D381 VanDerWaalsContact NZ-CG 3.27Å; K362-D381 IonicContact NZ-OD1 3.75Å; K362-D381 PolarHBondContact NZ-OD1 2.95Å; K362-D381 IonicContact NZ-OD2 2.87Å; K362-D381 PolarHBondContact NZ-OD2 3.31Å; T379-D381 PolarHBondContact O-N 3.15Å; D381-L383 VanDerWaalsContact C-N 3.28Å; D381-L383 PolarHBondContact O-N 2.78Å; D381-I384 PolarHBondContact O-N 2.97Å; D381-M385 PolarHBondContact O-N 3.4Å; D381-M385 VanDerWaalsContact O-N 3.13Å
382D75.1Confident78.2Confident98 Ų9863.9 Ų63.952%0.52435%0.346SS..Hα-helixtrans-68.3-30.2179.4-63.4-25.1000112.1T379 L380 I384T379-D382 WeakPolarHBondContact CB-OD2 3.28Å; T379-D382 PolarHBondContact O-N 3.27Å; T379-D382 PolarHBondContact OG1-OD2 3.39Å; L380-D382 VanDerWaalsContact C-N 3.32Å; L380-D382 PolarHBondContact O-N 2.96Å; D382-I384 VanDerWaalsContact C-N 3.31Å
383L75.2Confident78.2Confident11 Ų1163.5 Ų63.56%0.05835%0.352CS..Hα-helixtrans-72.8-28.4177.5-62.2171.1000111.9L380 D381 F419L380-L383 HydrophobicContact CD2-CD1 4.45Å; L380-L383 PolarHBondContact O-N 2.86Å; D381-L383 VanDerWaalsContact C-N 3.28Å; D381-L383 PolarHBondContact O-N 2.78Å; L383-F419 HydrophobicContact CD1-CB 3.66Å; L383-F419 HydrophobicContact CD1-CD1 3.88Å; L383-F419 HydrophobicContact CD1-CD2 4.38Å; L383-F419 HydrophobicContact CD1-CG 3.73Å; L383-F419 HydrophobicContact CD2-CB 3.85Å; L383-F419 HydrophobicContact CG-CB 4.42Å
384I77Confident78.3Confident13 Ų1360.6 Ų60.67%0.06733%0.333CS..Hα-helixtrans-87.7-33.7-173.9-62.2156.9000111.9E358 K361 K362 F365 L380 D381 D382 A386E358-I384 HydrophobicContact CB-CG2 4.2Å; K361-I384 HydrophobicContact CB-CG2 4.15Å; K362-I384 VanDerWaalsContact CA-CD1 3.43Å; K362-I384 HydrophobicContact CB-CD1 3.61Å; K362-I384 HydrophobicContact CD-CD1 4.47Å; K362-I384 HydrophobicContact CG-CD1 3.78Å; F365-I384 HydrophobicContact CD2-CD1 4.32Å; F365-I384 HydrophobicContact CD2-CG1 3.86Å; F365-I384 HydrophobicContact CE2-CG1 4.13Å; L380-I384 WeakPolarHBondContact O-CD1 3.42Å; L380-I384 VanDerWaalsContact O-CG1 3.29Å; L380-I384 WeakPolarHBondContact O-CG1 3.05Å; L380-I384 PolarHBondContact O-N 3.1Å; D381-I384 PolarHBondContact O-N 2.97Å; D382-I384 VanDerWaalsContact C-N 3.31Å; I384-A386 PolarHBondContact O-N 3.15Å
385M70.4Confident78.5Confident143 Ų14358 Ų5870%0.70432%0.319SS*.SBendtrans-66.3-19.5-176.3-83.5-168.2156.100114.9D381 K387D381-M385 PolarHBondContact O-N 3.4Å; D381-M385 VanDerWaalsContact O-N 3.13Å; M385-K387 PolarHBondContact O-N 3.21Å
386A65.9Low78.7Confident37 Ų3763 Ų6331%0.30634%0.338SS..SBendtrans-68127.6173.400000109.6I384 D388I384-A386 PolarHBondContact O-N 3.15Å; A386-D388 WeakPolarHBondContact CB-OD2 3.46Å; A386-D388 PolarHBondContact O-N 3.16Å
387K61Low79.3Confident200 Ų20056.8 Ų56.887%0.8731%0.31SS*.  trans-69.640.7-174.4-64.7-175.8175.2-174.10114.1M385M385-K387 PolarHBondContact O-N 3.21Å
388D72.3Confident79.8Confident42 Ų4253.4 Ų53.423%0.22529%0.292CS..  trans-91.4128.5-178.7-53-43.3000109.7K361 A386 L390 K423K361-D388 PolarHBondContact NZ-O 3.34Å; A386-D388 WeakPolarHBondContact CB-OD2 3.46Å; A386-D388 PolarHBondContact O-N 3.16Å; D388-L390 VanDerWaalsContact C-N 3.3Å; D388-L390 HydrophobicContact CB-CD1 4.38Å; D388-L390 HydrophobicContact CB-CG 4.09Å; D388-L390 PolarHBondContact O-N 2.87Å; D388-K423 WeakPolarHBondContact OD2-CE 3.29Å; D388-K423 IonicContact OD2-NZ 2.9Å; D388-K423 PolarHBondContact OD2-NZ 3.27Å
389D77.2Confident80.5Confident119 Ų11952.4 Ų52.464%0.63629%0.286SS*.  trans-71.383.1174.2-70.3-31.7000110K430D389-K430 PolarHBondContact O-NZ 3.05Å
390L82.2Confident81.1Confident7 Ų753.3 Ų53.34%0.03729%0.291CS..  trans-96.2133.1178.8-65.4168.5000110.9P356 D388 D394 I395 I398P356-L390 WeakPolarHBondContact CD-O 2.82Å; P356-L390 WeakPolarHBondContact CG-O 3.32Å; D388-L390 VanDerWaalsContact C-N 3.3Å; D388-L390 HydrophobicContact CB-CD1 4.38Å; D388-L390 HydrophobicContact CB-CG 4.09Å; D388-L390 PolarHBondContact O-N 2.87Å; L390-D394 HydrophobicContact CB-CB 4.32Å; L390-D394 HydrophobicContact CD2-CB 3.93Å; L390-I395 HydrophobicContact CB-CG1 4.37Å; L390-I398 HydrophobicContact CD1-CD1 4.07Å; L390-I398 HydrophobicContact CD2-CD1 4.23Å
391S85.3Confident81.7Confident10 Ų1054.4 Ų54.47%0.0730%0.296CS..  trans-81165.4169.870.20000111.4A393 D394 I395S391-A393 PolarHBondContact O-N 3.13Å; S391-D394 WeakPolarHBondContact CB-OD2 3.47Å; S391-D394 PolarHBondContact N-OD2 2.77Å; S391-D394 WeakPolarHBondContact O-CB 3.39Å; S391-D394 PolarHBondContact O-N 3.19Å; S391-D394 VanDerWaalsContact O-N 3.1Å; S391-D394 PolarHBondContact OG-N 3.41Å; S391-D394 VanDerWaalsContact OG-N 3.17Å; S391-D394 PolarHBondContact OG-OD1 3.03Å; S391-D394 PolarHBondContact OG-OD2 3.37Å; S391-I395 WeakPolarHBondContact O-CG1 3.25Å; S391-I395 PolarHBondContact O-N 2.77Å; S391-I395 VanDerWaalsContact O-N 3.07Å
392G86.6Confident82.2Confident16 Ų1650.9 Ų50.917%0.16528%0.277CS..Hα-helixtrans-60.7-34.1174.400000112.7G229 I395 K396G229-G392 WeakPolarHBondContact O-CA 3.5Å; G229-G392 PolarHBondContact O-N 3.33Å; G392-I395 PolarHBondContact O-N 2.89Å; G392-K396 PolarHBondContact O-N 3.01Å; G392-K396 VanDerWaalsContact O-N 3.08Å
393A87.9Confident83Confident48 Ų4847.4 Ų47.440%0.39726%0.264SS..Hα-helixtrans-64.5-40.6172.400000112.4G229 S391 K396 A397G229-A393 PolarHBondContact O-N 2.78Å; S391-A393 PolarHBondContact O-N 3.13Å; A393-K396 PolarHBondContact O-N 2.89Å; A393-A397 WeakPolarHBondContact O-CB 3.46Å; A393-A397 PolarHBondContact O-N 3.43Å
394D89.2Confident83.7Confident29 Ų2950.9 Ų50.916%0.15528%0.282CS..Hα-helixtrans-62.8-43.4176.6-60.2-37000110.7L390 S391 K396 A397 I398 V426 K430L390-D394 HydrophobicContact CB-CB 4.32Å; L390-D394 HydrophobicContact CD2-CB 3.93Å; S391-D394 WeakPolarHBondContact CB-OD2 3.47Å; S391-D394 PolarHBondContact N-OD2 2.77Å; S391-D394 WeakPolarHBondContact O-CB 3.39Å; S391-D394 PolarHBondContact O-N 3.19Å; S391-D394 VanDerWaalsContact O-N 3.1Å; S391-D394 PolarHBondContact OG-N 3.41Å; S391-D394 VanDerWaalsContact OG-N 3.17Å; S391-D394 PolarHBondContact OG-OD1 3.03Å; S391-D394 PolarHBondContact OG-OD2 3.37Å; D394-K396 PolarHBondContact O-N 2.9Å; D394-A397 WeakPolarHBondContact O-CB 3.43Å; D394-A397 PolarHBondContact O-N 2.74Å; D394-A397 VanDerWaalsContact O-N 3.17Å; D394-I398 VanDerWaalsContact O-CG1 3.3Å; D394-I398 WeakPolarHBondContact O-CG1 3.35Å; D394-I398 PolarHBondContact O-N 2.8Å; D394-V426 HydrophobicContact CB-CG1 4.17Å; D394-K430 IonicContact OD2-NZ 3.74Å; D394-K430 PolarHBondContact OD2-NZ 2.9Å
395I88.6Confident84.4Confident0 Ų051.4 Ų51.40%029%0.285CS..Hα-helixtrans-61.3-44.9177.1-65.3170.4000111K361 I364 F365 L390 S391 G392 A397 I398 C399K361-I395 HydrophobicContact CB-CD1 3.98Å; K361-I395 HydrophobicContact CG-CD1 3.92Å; I364-I395 HydrophobicContact CB-CD1 4.2Å; I364-I395 HydrophobicContact CB-CG2 4.35Å; I364-I395 HydrophobicContact CD1-CD1 4.27Å; I364-I395 HydrophobicContact CG2-CB 4Å; I364-I395 HydrophobicContact CG2-CD1 4.12Å; I364-I395 HydrophobicContact CG2-CG2 3.64Å; F365-I395 HydrophobicContact CD1-CG2 3.71Å; F365-I395 HydrophobicContact CD2-CD1 4.31Å; F365-I395 HydrophobicContact CD2-CG1 4.4Å; F365-I395 HydrophobicContact CD2-CG2 3.75Å; F365-I395 HydrophobicContact CE1-CG2 3.71Å; F365-I395 HydrophobicContact CE2-CB 4.36Å; F365-I395 HydrophobicContact CE2-CD1 4.07Å; F365-I395 HydrophobicContact CE2-CG1 3.82Å; F365-I395 HydrophobicContact CE2-CG2 3.75Å; F365-I395 HydrophobicContact CG-CG2 3.72Å; F365-I395 HydrophobicContact CZ-CB 4.32Å; F365-I395 HydrophobicContact CZ-CG1 4.08Å; F365-I395 HydrophobicContact CZ-CG2 3.72Å; L390-I395 HydrophobicContact CB-CG1 4.37Å; S391-I395 WeakPolarHBondContact O-CG1 3.25Å; S391-I395 PolarHBondContact O-N 2.77Å; S391-I395 VanDerWaalsContact O-N 3.07Å; G392-I395 PolarHBondContact O-N 2.89Å; I395-A397 VanDerWaalsContact C-N 3.31Å; I395-A397 PolarHBondContact O-N 3.41Å; I395-I398 PolarHBondContact O-N 2.8Å; I395-C399 PolarHBondContact O-N 2.93Å; I395-C399 PolarHBondContact O-SG 3.17Å; I395-C399 VanDerWaalsContact O-SG 3.37Å
396K89.4Confident85.3Confident120 Ų12044.8 Ų44.852%0.52225%0.253SS..Hα-helixtrans-60.2-42175-175.9-179176.5-179.20111.6G392 A393 D394 C399 T400G392-K396 PolarHBondContact O-N 3.01Å; G392-K396 VanDerWaalsContact O-N 3.08Å; A393-K396 PolarHBondContact O-N 2.89Å; D394-K396 PolarHBondContact O-N 2.9Å; K396-C399 PolarHBondContact O-N 2.94Å; K396-T400 WeakPolarHBondContact O-CB 3.31Å; K396-T400 PolarHBondContact O-N 3.09Å; K396-T400 PolarHBondContact O-OG1 3.24Å
397A91Very high86.5Confident37 Ų3748.6 Ų48.631%0.30627%0.267SS..Hα-helixtrans-62.6-44.5176.600000111.8A393 D394 I395 C399 T400 E401 V426A393-A397 WeakPolarHBondContact O-CB 3.46Å; A393-A397 PolarHBondContact O-N 3.43Å; D394-A397 WeakPolarHBondContact O-CB 3.43Å; D394-A397 PolarHBondContact O-N 2.74Å; D394-A397 VanDerWaalsContact O-N 3.17Å; I395-A397 VanDerWaalsContact C-N 3.31Å; I395-A397 PolarHBondContact O-N 3.41Å; A397-C399 PolarHBondContact O-N 3.34Å; A397-T400 PolarHBondContact O-N 3.33Å; A397-E401 WeakPolarHBondContact O-CB 3.5Å; A397-E401 WeakPolarHBondContact O-CG 3.26Å; A397-E401 PolarHBondContact O-N 2.85Å; A397-V426 HydrophobicContact CB-CG2 4.18Å
398I90.3Very high87.9Confident3 Ų348.4 Ų48.42%0.01526%0.261CS..Hα-helixtrans-57.1-48.7176-67.9167000110.7F365 L390 D394 I395 T400 E401 A402 F419 K423 V426F365-I398 HydrophobicContact CE1-CG2 4.27Å; F365-I398 HydrophobicContact CZ-CD1 4.46Å; L390-I398 HydrophobicContact CD1-CD1 4.07Å; L390-I398 HydrophobicContact CD2-CD1 4.23Å; D394-I398 VanDerWaalsContact O-CG1 3.3Å; D394-I398 WeakPolarHBondContact O-CG1 3.35Å; D394-I398 PolarHBondContact O-N 2.8Å; I395-I398 PolarHBondContact O-N 2.8Å; I398-T400 VanDerWaalsContact C-N 3.33Å; I398-T400 PolarHBondContact O-N 2.83Å; I398-E401 PolarHBondContact O-N 2.72Å; I398-A402 WeakPolarHBondContact O-CB 3.26Å; I398-A402 PolarHBondContact O-N 2.69Å; I398-F419 HydrophobicContact CG2-CD1 4.14Å; I398-K423 HydrophobicContact CD1-CG 4.34Å; I398-V426 HydrophobicContact CG1-CB 3.9Å; I398-V426 HydrophobicContact CG1-CG1 4.07Å; I398-V426 HydrophobicContact CG1-CG2 3.8Å
399C90Very high88.8Confident1 Ų151.3 Ų51.31%0.00727%0.273CS..Hα-helixtrans-61.4-41.8178.2-65.90000112H368 M372 I395 K396 A397 A402 G403H368-C399 HydrophobicContact CB-CB 4.18Å; M372-C399 HydrophobicContact CE-CB 3.85Å; M372-C399 WeakPolarHBondContact CE-O 3.49Å; M372-C399 HydrophobicContact SD-CB 4.12Å; I395-C399 PolarHBondContact O-N 2.93Å; I395-C399 PolarHBondContact O-SG 3.17Å; I395-C399 VanDerWaalsContact O-SG 3.37Å; K396-C399 PolarHBondContact O-N 2.94Å; A397-C399 PolarHBondContact O-N 3.34Å; C399-A402 PolarHBondContact O-N 3.09Å; C399-G403 PolarHBondContact O-N 2.83Å; C399-G403 VanDerWaalsContact O-N 3.09Å
400T91.5Very high89.4Confident84 Ų8456.6 Ų56.652%0.51528%0.284SS..Hα-helixtrans-68-43.7-178.4-53.30000111.6K396 A397 I398 G403 L404K396-T400 WeakPolarHBondContact O-CB 3.31Å; K396-T400 PolarHBondContact O-N 3.09Å; K396-T400 PolarHBondContact O-OG1 3.24Å; A397-T400 PolarHBondContact O-N 3.33Å; I398-T400 VanDerWaalsContact C-N 3.33Å; I398-T400 PolarHBondContact O-N 2.83Å; T400-G403 PolarHBondContact O-N 3.05Å; T400-L404 PolarHBondContact O-N 3.3Å
401E90.7Very high89.6Confident50 Ų5059.4 Ų59.423%0.23430%0.295CS..Hα-helixtrans-63.6-40.6175.5-70.6-76.3-177.400111.3A397 I398 G403 L404 M405 K429A397-E401 WeakPolarHBondContact O-CB 3.5Å; A397-E401 WeakPolarHBondContact O-CG 3.26Å; A397-E401 PolarHBondContact O-N 2.85Å; I398-E401 PolarHBondContact O-N 2.72Å; E401-G403 VanDerWaalsContact C-N 3.34Å; E401-G403 PolarHBondContact O-N 2.92Å; E401-L404 WeakPolarHBondContact O-CB 3.25Å; E401-L404 PolarHBondContact O-N 2.9Å; E401-L404 VanDerWaalsContact O-N 3.09Å; E401-M405 WeakPolarHBondContact O-CG 3.38Å; E401-M405 PolarHBondContact O-N 3.32Å; E401-K429 IonicContact OE1-NZ 3.64Å
402A90.3Very high89.6Confident0 Ų066.5 Ų66.50%033%0.329CS..Hα-helixtrans-62.8-41.6177.400000111.7I398 C399 L404 M405 A406 V414 D418 F419 S422I398-A402 WeakPolarHBondContact O-CB 3.26Å; I398-A402 PolarHBondContact O-N 2.69Å; C399-A402 PolarHBondContact O-N 3.09Å; A402-L404 VanDerWaalsContact C-N 3.32Å; A402-L404 PolarHBondContact O-N 3.2Å; A402-M405 PolarHBondContact O-N 2.8Å; A402-A406 PolarHBondContact O-N 3.47Å; A402-A406 VanDerWaalsContact O-N 3.08Å; A402-V414 HydrophobicContact CB-CG1 3.92Å; A402-D418 HydrophobicContact CB-CB 4.37Å; A402-F419 HydrophobicContact CB-CD1 3.84Å; A402-F419 HydrophobicContact CB-CE1 3.91Å; A402-F419 HydrophobicContact CB-CG 4.17Å; A402-F419 HydrophobicContact CB-CZ 4.29Å; A402-S422 WeakPolarHBondContact CA-OG 3.46Å; A402-S422 PolarHBondContact N-OG 3.4Å
403G90.8Very high89.7Confident25 Ų2571.2 Ų71.226%0.25835%0.345SS..Hα-helixtrans-62.5-38.1172.500000112.9C399 T400 E401 L407C399-G403 PolarHBondContact O-N 2.83Å; C399-G403 VanDerWaalsContact O-N 3.09Å; T400-G403 PolarHBondContact O-N 3.05Å; E401-G403 VanDerWaalsContact C-N 3.34Å; E401-G403 PolarHBondContact O-N 2.92Å; G403-L407 WeakPolarHBondContact O-CB 3.3Å; G403-L407 PolarHBondContact O-N 3.36Å
404L91.1Very high89.8Confident84 Ų8469.2 Ų69.244%0.4433%0.327SS..Hα-helixtrans-69.3-38177.6-172.764.3000112.3T400 E401 A402 L407 R408T400-L404 PolarHBondContact O-N 3.3Å; E401-L404 WeakPolarHBondContact O-CB 3.25Å; E401-L404 PolarHBondContact O-N 2.9Å; E401-L404 VanDerWaalsContact O-N 3.09Å; A402-L404 VanDerWaalsContact C-N 3.32Å; A402-L404 PolarHBondContact O-N 3.2Å; L404-L407 PolarHBondContact O-N 2.7Å; L404-R408 WeakPolarHBondContact O-CB 3.47Å; L404-R408 PolarHBondContact O-N 2.89Å
405M89.8Confident89.7Confident25 Ų2569.4 Ų69.412%0.12333%0.329CS..Hα-helixtrans-64.3-46.8174.8-70.1-167.8-166.800111.6E401 A402 L407 R408 E409 D418 K421 S422 N425E401-M405 WeakPolarHBondContact O-CG 3.38Å; E401-M405 PolarHBondContact O-N 3.32Å; A402-M405 PolarHBondContact O-N 2.8Å; M405-L407 VanDerWaalsContact C-N 3.27Å; M405-L407 PolarHBondContact O-N 3.28Å; M405-R408 WeakPolarHBondContact O-CB 3.34Å; M405-R408 PolarHBondContact O-N 2.76Å; M405-R408 VanDerWaalsContact O-N 3.11Å; M405-E409 PolarHBondContact O-N 3.22Å; M405-E409 VanDerWaalsContact O-N 3.12Å; M405-D418 HydrophobicContact CB-CB 4.41Å; M405-K421 HydrophobicContact CE-CB 3.91Å; M405-K421 HydrophobicContact SD-CB 3.62Å; M405-K421 HydrophobicContact SD-CD 4.3Å; M405-S422 WeakPolarHBondContact CE-OG 3.28Å; M405-N425 WeakPolarHBondContact CE-ND2 3.31Å
406A89.9Confident89.7Confident3 Ų370.4 Ų70.43%0.02534%0.335CS..Hα-helixtrans-58.2-41.7175.500000111.5A402 E409 R410 R411 V414A402-A406 PolarHBondContact O-N 3.47Å; A402-A406 VanDerWaalsContact O-N 3.08Å; A406-E409 PolarHBondContact O-N 2.83Å; A406-R410 PolarHBondContact O-N 3.17Å; A406-R411 PolarHBondContact O-N 3Å; A406-V414 HydrophobicContact CB-CB 4.5Å; A406-V414 HydrophobicContact CB-CG2 3.97Å
407L91.1Very high89.6Confident118 Ų11870.8 Ų70.862%0.61834%0.339SS*.Hα-helixtrans-65.2-39.1175.9-17364.7000112.5G403 L404 M405 E409 R410G403-L407 WeakPolarHBondContact O-CB 3.3Å; G403-L407 PolarHBondContact O-N 3.36Å; L404-L407 PolarHBondContact O-N 2.7Å; M405-L407 VanDerWaalsContact C-N 3.27Å; M405-L407 PolarHBondContact O-N 3.28Å; L407-E409 VanDerWaalsContact C-N 3.25Å; L407-E409 PolarHBondContact O-N 3.47Å; L407-R410 WeakPolarHBondContact O-CA 3.45Å; L407-R410 PolarHBondContact O-N 3.02Å
408R91.1Very high89.5Confident196 Ų19669 Ų6974%0.7432%0.324SS*.Hα-helixtrans-61.2-35.7177-171.6179.3-69.5172.20.1111.9L404 M405 R410L404-R408 WeakPolarHBondContact O-CB 3.47Å; L404-R408 PolarHBondContact O-N 2.89Å; M405-R408 WeakPolarHBondContact O-CB 3.34Å; M405-R408 PolarHBondContact O-N 2.76Å; M405-R408 VanDerWaalsContact O-N 3.11Å; R408-R410 VanDerWaalsContact C-N 3.26Å; R408-R410 PolarHBondContact O-N 2.97Å
409E90.8Very high89.3Confident103 Ų10368.9 Ų68.948%0.48132%0.323SS..THydrogen-bonded Turntrans-85.96.2175.1-65.5-172.4-164.200113.6M405 A406 L407 R411M405-E409 PolarHBondContact O-N 3.22Å; M405-E409 VanDerWaalsContact O-N 3.12Å; A406-E409 PolarHBondContact O-N 2.83Å; L407-E409 VanDerWaalsContact C-N 3.25Å; L407-E409 PolarHBondContact O-N 3.47Å; E409-R411 HydrophobicContact CB-CG 4.35Å; E409-R411 PolarHBondContact O-N 2.9Å; E409-R411 IonicContact OE1-NH1 2.72Å; E409-R411 IonicContact OE2-CZ 3.1Å; E409-R411 IonicContact OE2-NE 3.82Å; E409-R411 PolarHBondContact OE2-NE 2.83Å; E409-R411 IonicContact OE2-NH1 3.96Å; E409-R411 PolarHBondContact OE2-NH1 3.45Å
410R88.9Confident89.2Confident230 Ų23074.5 Ų74.587%0.86835%0.347SS*.THydrogen-bonded Turntrans58.128-178-55.1-178.2177.8-172.2-0.9113.5A406 L407 R408A406-R410 PolarHBondContact O-N 3.17Å; L407-R410 WeakPolarHBondContact O-CA 3.45Å; L407-R410 PolarHBondContact O-N 3.02Å; R408-R410 VanDerWaalsContact C-N 3.26Å; R408-R410 PolarHBondContact O-N 2.97Å
411R86.8Confident89Confident66 Ų6674.9 Ų74.925%0.24934%0.342CS..  trans-92.6137.8174.7-67.4-177.3-78.2108.3-168.8109.4A406 E409 K413 T415 D418A406-R411 PolarHBondContact O-N 3Å; E409-R411 HydrophobicContact CB-CG 4.35Å; E409-R411 PolarHBondContact O-N 2.9Å; E409-R411 IonicContact OE1-NH1 2.72Å; E409-R411 IonicContact OE2-CZ 3.1Å; E409-R411 IonicContact OE2-NE 3.82Å; E409-R411 PolarHBondContact OE2-NE 2.83Å; E409-R411 IonicContact OE2-NH1 3.96Å; E409-R411 PolarHBondContact OE2-NH1 3.45Å; R411-K413 VanDerWaalsContact C-N 3.31Å; R411-T415 PolarHBondContact NH2-OG1 3.35Å; R411-D418 IonicContact CZ-OD1 3.67Å; R411-D418 IonicContact CZ-OD2 3.04Å; R411-D418 IonicContact NH1-OD1 3.81Å; R411-D418 PolarHBondContact NH1-OD1 3.39Å; R411-D418 IonicContact NH1-OD2 2.65Å; R411-D418 PolarHBondContact NH1-OD2 3.15Å; R411-D418 IonicContact NH2-OD1 3.82Å; R411-D418 IonicContact NH2-OD2 2.81Å; R411-D418 PolarHBondContact NH2-OD2 3.29Å
412M86.3Confident88.8Confident159 Ų15972.5 Ų72.578%0.78333%0.331SS*.SBendtrans-91.36175-63.9-62-67.700112.6T373T373-M412 WeakPolarHBondContact CB-O 3.49Å; T373-M412 PolarHBondContact OG1-O 3.38Å
413K88.7Confident88.6Confident115 Ų11574 Ų7450%0.534%0.338SS..SBendtrans-131.5136.4176.6-63.3-172.7177.5-1700109.4T373 A375 R411T373-K413 VanDerWaalsContact O-CA 3.3Å; T373-K413 WeakPolarHBondContact O-CA 3.34Å; A375-K413 HydrophobicContact CB-CB 4.15Å; A375-K413 HydrophobicContact CB-CD 4.35Å; R411-K413 VanDerWaalsContact C-N 3.31Å
414V89.2Confident88.3Confident6 Ų679.2 Ų79.24%0.03636%0.355CS..BIsolated β-bridgetrans-86.2127175.6-173.70000108.9T373 L374 A375 V378 A402 A406 D418 F419T373-V414 PolarHBondContact O-N 3.23Å; L374-V414 HydrophobicContact CD2-CB 4.49Å; A375-V414 PolarHBondContact N-O 2.95Å; V378-V414 WeakPolarHBondContact CG2-O 3.48Å; A402-V414 HydrophobicContact CB-CG1 3.92Å; A406-V414 HydrophobicContact CB-CB 4.5Å; A406-V414 HydrophobicContact CB-CG2 3.97Å; V414-D418 HydrophobicContact CG1-CB 3.87Å; V414-F419 HydrophobicContact CB-CE2 4.3Å; V414-F419 HydrophobicContact CG1-CD2 3.89Å; V414-F419 HydrophobicContact CG1-CE2 3.48Å; V414-F419 VanDerWaalsContact CG1-CE2 3.48Å; V414-F419 HydrophobicContact CG1-CZ 4.08Å
415T88.6Confident88Confident32 Ų3279 Ų7920%0.19635%0.354CS..  trans-97.5167.7178.6590000111.3A375 R411 E417 D418A375-T415 HydrophobicContact CB-CG2 4.35Å; R411-T415 PolarHBondContact NH2-OG1 3.35Å; T415-E417 PolarHBondContact O-N 3.4Å; T415-D418 PolarHBondContact N-OD2 2.75Å; T415-D418 WeakPolarHBondContact O-CB 3.36Å; T415-D418 PolarHBondContact O-N 3.5Å; T415-D418 PolarHBondContact OG1-OD2 2.98Å; T415-D418 VanDerWaalsContact OG1-OD2 3.1Å
416N87.3Confident87.7Confident22 Ų2278.2 Ų78.212%0.11835%0.351CS..Hα-helixtrans-63.3-31.6178.5-163.5-13.2000112.2D377 D418 F419 K420D377-N416 PolarHBondContact O-ND2 2.85Å; D377-N416 PolarHBondContact OD2-N 3.49Å; N416-D418 VanDerWaalsContact C-N 3.32Å; N416-D418 PolarHBondContact O-N 2.86Å; N416-F419 PolarHBondContact O-N 3.43Å; N416-K420 PolarHBondContact O-N 2.75Å; N416-K420 VanDerWaalsContact O-N 3.09Å
417E86.6Confident87.3Confident128 Ų12880.2 Ų80.260%0.59836%0.361SS*.Hα-helixtrans-62.1-37.1175-65.7-171175.100113T415 F419 K420 K421T415-E417 PolarHBondContact O-N 3.4Å; E417-F419 VanDerWaalsContact C-N 3.32Å; E417-F419 PolarHBondContact O-N 2.84Å; E417-K420 PolarHBondContact O-N 3.37Å; E417-K421 WeakPolarHBondContact O-CG 3.23Å; E417-K421 PolarHBondContact O-N 3.43Å
418D89Confident86.7Confident0 Ų082.3 Ų82.30%036%0.362CS..Hα-helixtrans-63.7-40.9178-61.2-37.9000110.4A402 M405 R411 V414 T415 N416 S422A402-D418 HydrophobicContact CB-CB 4.37Å; M405-D418 HydrophobicContact CB-CB 4.41Å; R411-D418 IonicContact CZ-OD1 3.67Å; R411-D418 IonicContact CZ-OD2 3.04Å; R411-D418 IonicContact NH1-OD1 3.81Å; R411-D418 PolarHBondContact NH1-OD1 3.39Å; R411-D418 IonicContact NH1-OD2 2.65Å; R411-D418 PolarHBondContact NH1-OD2 3.15Å; R411-D418 IonicContact NH2-OD1 3.82Å; R411-D418 IonicContact NH2-OD2 2.81Å; R411-D418 PolarHBondContact NH2-OD2 3.29Å; V414-D418 HydrophobicContact CG1-CB 3.87Å; T415-D418 PolarHBondContact N-OD2 2.75Å; T415-D418 WeakPolarHBondContact O-CB 3.36Å; T415-D418 PolarHBondContact O-N 3.5Å; T415-D418 PolarHBondContact OG1-OD2 2.98Å; T415-D418 VanDerWaalsContact OG1-OD2 3.1Å; N416-D418 VanDerWaalsContact C-N 3.32Å; N416-D418 PolarHBondContact O-N 2.86Å; D418-S422 WeakPolarHBondContact O-CB 3.32Å; D418-S422 PolarHBondContact O-N 2.96Å; D418-S422 PolarHBondContact O-OG 2.91Å
419F87.9Confident86Confident0 Ų079.5 Ų79.50%036%0.355CS..Hα-helixtrans-66.2-41.3175.7-79.9-74.7000112.7T369 L374 V378 L383 I398 A402 V414 N416 E417 S422 K423T369-F419 HydrophobicContact CG2-CZ 4.23Å; L374-F419 HydrophobicContact CD2-CE2 3.78Å; L374-F419 HydrophobicContact CD2-CZ 3.92Å; V378-F419 HydrophobicContact CG1-CD2 4.02Å; V378-F419 HydrophobicContact CG1-CE2 3.86Å; V378-F419 HydrophobicContact CG2-CD2 4.48Å; V378-F419 HydrophobicContact CG2-CE2 4.38Å; L383-F419 HydrophobicContact CD1-CB 3.66Å; L383-F419 HydrophobicContact CD1-CD1 3.88Å; L383-F419 HydrophobicContact CD1-CD2 4.38Å; L383-F419 HydrophobicContact CD1-CG 3.73Å; L383-F419 HydrophobicContact CD2-CB 3.85Å; L383-F419 HydrophobicContact CG-CB 4.42Å; I398-F419 HydrophobicContact CG2-CD1 4.14Å; A402-F419 HydrophobicContact CB-CD1 3.84Å; A402-F419 HydrophobicContact CB-CE1 3.91Å; A402-F419 HydrophobicContact CB-CG 4.17Å; A402-F419 HydrophobicContact CB-CZ 4.29Å; V414-F419 HydrophobicContact CB-CE2 4.3Å; V414-F419 HydrophobicContact CG1-CD2 3.89Å; V414-F419 HydrophobicContact CG1-CE2 3.48Å; V414-F419 VanDerWaalsContact CG1-CE2 3.48Å; V414-F419 HydrophobicContact CG1-CZ 4.08Å; N416-F419 PolarHBondContact O-N 3.43Å; E417-F419 VanDerWaalsContact C-N 3.32Å; E417-F419 PolarHBondContact O-N 2.84Å; F419-S422 PolarHBondContact O-N 3.09Å; F419-K423 VanDerWaalsContact O-CB 3.29Å; F419-K423 WeakPolarHBondContact O-CB 3.21Å; F419-K423 PolarHBondContact O-N 3.23Å
420K86.7Confident85.1Confident118 Ų11878.2 Ų78.251%0.51335%0.348SS..Hα-helixtrans-62.4-50177.7-71.7-179-179.4179.90111.8N416 E417 S422 K423 E424N416-K420 PolarHBondContact O-N 2.75Å; N416-K420 VanDerWaalsContact O-N 3.09Å; E417-K420 PolarHBondContact O-N 3.37Å; K420-S422 VanDerWaalsContact C-N 3.32Å; K420-S422 PolarHBondContact O-N 3.4Å; K420-K423 WeakPolarHBondContact O-CB 3.47Å; K420-K423 PolarHBondContact O-N 3.24Å; K420-E424 PolarHBondContact O-N 3.17Å; K420-E424 VanDerWaalsContact O-N 3.12Å
421K86.9Confident83.8Confident92 Ų9271.6 Ų71.640%0.433%0.327SS..Hα-helixtrans-61-41176.3-70.2175.3-176.2166.40111.9M405 E417 K423 E424 N425M405-K421 HydrophobicContact CE-CB 3.91Å; M405-K421 HydrophobicContact SD-CB 3.62Å; M405-K421 HydrophobicContact SD-CD 4.3Å; E417-K421 WeakPolarHBondContact O-CG 3.23Å; E417-K421 PolarHBondContact O-N 3.43Å; K421-K423 VanDerWaalsContact C-N 3.34Å; K421-E424 PolarHBondContact O-N 3.44Å; K421-N425 PolarHBondContact O-N 3.12Å; K421-N425 VanDerWaalsContact O-N 3.15Å
422S87.5Confident82.5Confident0 Ų076.4 Ų76.40%035%0.352CS..Hα-helixtrans-65.9-38.9179-610000112.1A402 M405 D418 F419 K420 N425 V426A402-S422 WeakPolarHBondContact CA-OG 3.46Å; A402-S422 PolarHBondContact N-OG 3.4Å; M405-S422 WeakPolarHBondContact CE-OG 3.28Å; D418-S422 WeakPolarHBondContact O-CB 3.32Å; D418-S422 PolarHBondContact O-N 2.96Å; D418-S422 PolarHBondContact O-OG 2.91Å; F419-S422 PolarHBondContact O-N 3.09Å; K420-S422 VanDerWaalsContact C-N 3.32Å; K420-S422 PolarHBondContact O-N 3.4Å; S422-N425 PolarHBondContact O-N 3.36Å; S422-V426 WeakPolarHBondContact O-CG2 3.27Å; S422-V426 PolarHBondContact O-N 2.93Å
423K85.1Confident81Confident33 Ų3372 Ų7214%0.14335%0.348CS..Hα-helixtrans-62-46.6175.6-177.6-178.1173.5-178.70111.9D388 I398 F419 K420 K421 N425 V426 L427D388-K423 WeakPolarHBondContact OD2-CE 3.29Å; D388-K423 IonicContact OD2-NZ 2.9Å; D388-K423 PolarHBondContact OD2-NZ 3.27Å; I398-K423 HydrophobicContact CD1-CG 4.34Å; F419-K423 VanDerWaalsContact O-CB 3.29Å; F419-K423 WeakPolarHBondContact O-CB 3.21Å; F419-K423 PolarHBondContact O-N 3.23Å; K420-K423 WeakPolarHBondContact O-CB 3.47Å; K420-K423 PolarHBondContact O-N 3.24Å; K421-K423 VanDerWaalsContact C-N 3.34Å; K423-N425 VanDerWaalsContact C-N 3.32Å; K423-N425 PolarHBondContact O-N 3.3Å; K423-V426 PolarHBondContact O-N 2.97Å; K423-L427 WeakPolarHBondContact O-CB 3.43Å; K423-L427 PolarHBondContact O-N 2.69Å
424E84.8Confident79.4Confident134 Ų13471 Ų7163%0.62635%0.351SS*.Hα-helixtrans-58.4-44.2176.6-71.7173.9-179.600111.6K420 K421 V426 L427 Y428K420-E424 PolarHBondContact O-N 3.17Å; K420-E424 VanDerWaalsContact O-N 3.12Å; K421-E424 PolarHBondContact O-N 3.44Å; E424-V426 PolarHBondContact O-N 3.15Å; E424-L427 PolarHBondContact O-N 3.49Å; E424-Y428 WeakPolarHBondContact O-CB 3.43Å; E424-Y428 PolarHBondContact O-N 2.77Å
425N85.1Confident77.6Confident78 Ų7876 Ų7642%0.41738%0.384SS..Hα-helixtrans-63.3-40.1178.1-72.4-15.9000113.2M405 K421 S422 K423 K429M405-N425 WeakPolarHBondContact CE-ND2 3.31Å; K421-N425 PolarHBondContact O-N 3.12Å; K421-N425 VanDerWaalsContact O-N 3.15Å; S422-N425 PolarHBondContact O-N 3.36Å; K423-N425 VanDerWaalsContact C-N 3.32Å; K423-N425 PolarHBondContact O-N 3.3Å; N425-K429 WeakPolarHBondContact O-CG 2.91Å; N425-K429 PolarHBondContact O-N 3.16Å
426V83.8Confident76.2Confident9 Ų981.5 Ų81.56%0.05541%0.407CS..Hα-helixtrans-71.8-39.5178.5173.30000110.8D394 A397 I398 S422 K423 E424 K429 K430D394-V426 HydrophobicContact CB-CG1 4.17Å; A397-V426 HydrophobicContact CB-CG2 4.18Å; I398-V426 HydrophobicContact CG1-CB 3.9Å; I398-V426 HydrophobicContact CG1-CG1 4.07Å; I398-V426 HydrophobicContact CG1-CG2 3.8Å; S422-V426 WeakPolarHBondContact O-CG2 3.27Å; S422-V426 PolarHBondContact O-N 2.93Å; K423-V426 PolarHBondContact O-N 2.97Å; E424-V426 PolarHBondContact O-N 3.15Å; V426-K429 PolarHBondContact O-N 3.37Å; V426-K430 PolarHBondContact O-N 3.49Å
427L81.1Confident74.5Confident46 Ų4683.6 Ų83.624%0.24143%0.434CS..Hα-helixtrans-64.7-41.1176.9-168.867.5000111.5K423 E424 K429 K430 Q431K423-L427 WeakPolarHBondContact O-CB 3.43Å; K423-L427 PolarHBondContact O-N 2.69Å; E424-L427 PolarHBondContact O-N 3.49Å; L427-K429 VanDerWaalsContact C-N 3.33Å; L427-K429 PolarHBondContact O-N 3.31Å; L427-K430 PolarHBondContact O-N 3.4Å; L427-Q431 PolarHBondContact O-N 3.26Å
428Y78.3Confident73.2Confident162 Ų16284.5 Ų84.564%0.63544%0.442SS*.Hα-helixtrans-58.5-43.3175.6-173.1-98.9000112.1E424 K430 Q431E424-Y428 WeakPolarHBondContact O-CB 3.43Å; E424-Y428 PolarHBondContact O-N 2.77Å; Y428-K430 PolarHBondContact O-N 2.98Å; Y428-Q431 PolarHBondContact O-N 3.26Å
429K76.9Confident71.6Confident137 Ų13795.4 Ų95.460%0.59649%0.485SS*.Hα-helixtrans-63.3-27.8175.9-72.4177.3-178.1174.60113.2E401 N425 V426 L427E401-K429 IonicContact OE1-NZ 3.64Å; N425-K429 WeakPolarHBondContact O-CG 2.91Å; N425-K429 PolarHBondContact O-N 3.16Å; V426-K429 PolarHBondContact O-N 3.37Å; L427-K429 VanDerWaalsContact C-N 3.33Å; L427-K429 PolarHBondContact O-N 3.31Å
430K71.4Confident69.6Low75 Ų75106.3 Ų106.333%0.32654%0.542SS..Hα-helixtrans-83.7-36.6-178.6-169170.6-173.71630112.6D389 D394 V426 L427 Y428 E432 G433D389-K430 PolarHBondContact O-NZ 3.05Å; D394-K430 IonicContact OD2-NZ 3.74Å; D394-K430 PolarHBondContact OD2-NZ 2.9Å; V426-K430 PolarHBondContact O-N 3.49Å; L427-K430 PolarHBondContact O-N 3.4Å; Y428-K430 PolarHBondContact O-N 2.98Å; K430-E432 PolarHBondContact O-N 2.9Å; K430-G433 PolarHBondContact O-N 2.87Å
431Q62.7Low68.8Low92 Ų92105.7 Ų105.743%0.4354%0.543SS..Hα-helixtrans-67.9-15.8-176.3-77.1-179-14.300114.2L427 Y428 G433L427-Q431 PolarHBondContact O-N 3.26Å; Y428-Q431 PolarHBondContact O-N 3.26Å; Q431-G433 PolarHBondContact O-N 2.79Å
432E58.3Low67.8Low167 Ų167106.4 Ų106.478%0.7855%0.551SS**THydrogen-bonded Turntrans-60.2-15171.4-72.2-168.3156.700113.4K430K430-E432 PolarHBondContact O-N 2.9Å
433G55.2Low66.7Low67 Ų67112.3 Ų112.369%0.69158%0.581SS**THydrogen-bonded Turntrans-105.8-7.1-173.800000118K430 Q431K430-G433 PolarHBondContact O-N 2.87Å; Q431-G433 PolarHBondContact O-N 2.79Å
434T55.3Low65.6Low92 Ų92117 Ų11756%0.56461%0.607SS**  trans-138.4120.5-17222.60000113.2E436T434-E436 PolarHBondContact O-N 3.06Å
435P51Low64.4Low113 Ų113115.9 Ų115.973%0.73461%0.606SS**  trans-72.8111.8164.128-28.8000109.2G437P435-G437 PolarHBondContact O-N 2.7Å
436E58.7Low63.1Low147 Ų147118.5 Ų118.569%0.68762%0.618SS**  trans-65.810173.3-71.6-177.7167.500113.7T434T434-E436 PolarHBondContact O-N 3.06Å
437G53.1Low61.6Low65 Ų65126.3 Ų126.367%0.6766%0.659SS**THydrogen-bonded Turntrans-92.511.8-164.300000118P435P435-G437 PolarHBondContact O-N 2.7Å
438L57.7Low60.1Low147 Ų147132.5 Ų132.577%0.7769%0.691SS**THydrogen-bonded Turntrans-108.6-10179.7-99.998.3000115.8
439Y55.8Low58.5Low230 Ų230130 Ų13090%0.90270%0.695SS**  trans-123.538.7-175.6-71.5-79.3000113.3
440L46.6Very low56.9Low228 Ų228129.4 Ų129.4100%1.19470%0.704SS**  trans-124.70170.5-93.1153000111.1

Retrieved 440 of 440 residues in 757.2 ms (Link to these results)