A0A087X382_POEFO Loading...

Fibroblast growth factor

AlphaFold DB , UniProt , Accession A0A087X382, Species POEFO (Poecilia formosa, Amazon molly), Gene FGF6, Length 207 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
1M37.2Very low38Very low248 Ų248157.9 Ų157.9100%1.22282%0.821SS**  01360-80.8173.3174.600108
2A39.8Very low37.7Very low90 Ų90163.2 Ų163.274%0.74482%0.823SS**  trans-52.9163-178.100000112.2
3I39.3Very low37.9Very low150 Ų150160.1 Ų160.177%0.76983%0.825SS**  -168.613478.8-81.6156.4000108.8
4A45Very low37.6Very low91 Ų91154 Ų15475%0.75282%0.822SS**  trans-71.3147.9163.600000110.5
5Q45.3Very low37.5Very low193 Ų193150.7 Ų150.790%0.90282%0.824SS**  trans-148.4119151.4-113.5165.32.300112.4
6R42.9Very low37.5Very low210 Ų210152.5 Ų152.579%0.79283%0.825SS**  trans-89.1140.4169.1-175.5-173-158.2-165.85.6107
7C36.6Very low37.5Very low118 Ų118151.6 Ų151.680%0.79783%0.827SS**  trans180111.6146.2-97.10000108.3
8H34.2Very low37.5Very low144 Ų144152.9 Ų152.967%0.66783%0.825SS**  68.2104.183.5-81.1-77000113.9
9Y34.6Very low37.4Very low241 Ų241156.3 Ų156.395%0.94583%0.825SS**  trans-133.9129.9144-102.1-86.4000110.6
10S34.9Very low37.7Very low99 Ų99155 Ų15569%0.69282%0.824SS**  trans-68.1137.6179.9162.30000111.7
11M28.1Very low37.9Very low153 Ų153154.5 Ų154.575%0.75482%0.821SS**  51.6135.998.2-103.6169.5118.400113
12R34.3Very low38.4Very low221 Ų221147.9 Ų147.983%0.83480%0.796SS**  cis177.6141.316.9-170-176.5-167.9-161.50.7107.7
13S40.1Very low38.8Very low123 Ų123148.5 Ų148.586%0.8680%0.801SS**  trans179.9135.2137.461.80000106.5
14G33.7Very low39Very low75 Ų75147.1 Ų147.177%0.77380%0.8SS**  cis140.297.313.700000105.6
15A36.6Very low39Very low104 Ų104150 Ų15086%0.8680%0.801SS**  trans-168109157.300000108.3
16E37.8Very low38.9Very low180 Ų180146 Ų14684%0.84179%0.79SS**  trans-66.7148.3168.6-55.3-169151.400110.3
17T37.4Very low38.7Very low138 Ų138144.4 Ų144.485%0.84780%0.796SS**  -177.8115.7120.523.80000111.8
18H37.7Very low38.6Very low174 Ų174149.5 Ų149.581%0.80680%0.798SS**  trans64.3110.6136.2-142.7-108.5000120.9
19W34.8Very low39.2Very low218 Ų218147.8 Ų147.883%0.82680%0.798SS**  trans-63133164.1-79.282.8000112.5L21W19-L21 HydrophobicContact CZ3-CD1 4.35Å
20T44.7Very low39.7Very low130 Ų130141.1 Ų141.180%0.79879%0.786SS**  trans-162.8116135.841.50000110.4
21L40.7Very low40.1Very low144 Ų144143.4 Ų143.475%0.75479%0.79SS**  trans-80.4167.3160.6-69.6161.5000108.6W19W19-L21 HydrophobicContact CZ3-CD1 4.35Å
22P47.6Very low40.5Very low109 Ų109147.6 Ų147.671%0.70880%0.798SS**  cis-127.1167.1-44.933.5-16.7000111.4V24P22-V24 PolarHBondContact O-N 3.3Å
23A49.5Very low40.9Very low103 Ų103141.5 Ų141.585%0.85180%0.795SS**  trans-66.1109.3-179.800000114
24V43.8Very low41Very low122 Ų122143.2 Ų143.274%0.73979%0.793SS**  trans-154.6140.9158-1620000108.7P22P22-V24 PolarHBondContact O-N 3.3Å
25I43.5Very low41.3Very low152 Ų152143.7 Ų143.778%0.77979%0.79SS**  trans72.4121.4167.8-23.9175.5000113.3
26V43.3Very low41.3Very low109 Ų109143.1 Ų143.166%0.66178%0.779SS**  -171.913855.8172.90000106.4
27L38.3Very low41.3Very low175 Ų175139.9 Ų139.992%0.91678%0.777SS**  trans-156.678.1148.7-103.1167.5000110
28W35Very low41.2Very low226 Ų226141.3 Ų141.386%0.85677%0.771SS**  trans-46.5131.1134.5-116.7-3.9000107.4
29T47.9Very low41Very low108 Ų108138.9 Ų138.966%0.66377%0.771SS**  cis-172.7160.637.944.20000109.9
30S44.7Very low41.2Very low100 Ų100134.3 Ų134.370%0.69977%0.767SS**  trans89.7137.1142.886.90000120.8
31L42Very low40.9Very low148 Ų148134 Ų13478%0.77577%0.768SS**  trans81.7101.6163.3-58.6164.9000116.1
32W38.2Very low40.7Very low240 Ų240133.1 Ų133.191%0.90976%0.764SS**  -169.897.3109.5-88.914.5000109.4
33A41.4Very low40.7Very low94 Ų94138.6 Ų138.678%0.77777%0.77SS**  trans-68.1121.9135.800000106.7
34I42.7Very low40.5Very low159 Ų159137.4 Ų137.482%0.81575%0.752SS**  trans-174.9135.6140.6-85.3146.7000106.8
35A40.2Very low40.6Very low85 Ų85137.7 Ų137.770%0.70275%0.75SS**  trans-58.1145.2-17300000115.2
36S36Very low40.9Very low91 Ų91133.4 Ų133.464%0.63674%0.737SS**  trans-133.2100.2136.458.80000108.5F38S36-F38 VanDerWaalsContact C-N 3.32Å; S36-F38 PolarHBondContact O-N 2.61Å; S36-F38 WeakPolarHBondContact OG-CE2 3.43Å
37S37.7Very low41.6Very low113 Ų113131.4 Ų131.479%0.7973%0.725SS**  trans-67.690.5170.1-47.10000108.2
38F35Very low42.4Very low168 Ų168129.4 Ų129.474%0.73771%0.714SS**PPolyproline II helixtrans-89.9116162.7-71.3-75.1000108.1S36 T40S36-F38 VanDerWaalsContact C-N 3.32Å; S36-F38 PolarHBondContact O-N 2.61Å; S36-F38 WeakPolarHBondContact OG-CE2 3.43Å; F38-T40 PolarHBondContact O-N 2.78Å; F38-T40 VanDerWaalsContact O-N 3.12Å
39P33.6Very low43.3Very low123 Ų123122.9 Ų122.980%0.79970%0.696SS**PPolyproline II helixtrans-66.4116.2177.125.2-29.4000108.8
40T40.3Very low43.6Very low122 Ų122122.3 Ų122.375%0.74869%0.686SS**PPolyproline II helixtrans-63.8133.4165.644.60000108.6F38 N42F38-T40 PolarHBondContact O-N 2.78Å; F38-T40 VanDerWaalsContact O-N 3.12Å; T40-N42 PolarHBondContact O-N 3.42Å; T40-N42 VanDerWaalsContact O-N 3.11Å
41P36.8Very low43.9Very low124 Ų124126.4 Ų126.481%0.80569%0.686SS**PPolyproline II helixtrans-67.4117174.326.4-29.5000108R43P41-R43 PolarHBondContact O-N 2.76Å
42N37.5Very low44.4Very low125 Ų125125.3 Ų125.367%0.66868%0.675SS**  trans-64.190.7-176.9-167.28.2000110.9T40 T44T40-N42 PolarHBondContact O-N 3.42Å; T40-N42 VanDerWaalsContact O-N 3.11Å; N42-T44 VanDerWaalsContact C-N 3.32Å; N42-T44 PolarHBondContact O-N 3.09Å; N42-T44 WeakPolarHBondContact OD1-CG2 3.3Å; N42-T44 PolarHBondContact OD1-OG1 3.15Å
43R47.7Very low45Very low224 Ų224117.9 Ų117.985%0.84565%0.647SS**  trans-87.763.4175.5-170.8-173.9177.9164.3-0.4110.3P41P41-R43 PolarHBondContact O-N 2.76Å
44T44.5Very low45.5Very low77 Ų77117.8 Ų117.847%0.47263%0.63SS.*  trans-122.7-7.6179.152.20000114.7N42N42-T44 VanDerWaalsContact C-N 3.32Å; N42-T44 PolarHBondContact O-N 3.09Å; N42-T44 WeakPolarHBondContact OD1-CG2 3.3Å; N42-T44 PolarHBondContact OD1-OG1 3.15Å
45N45.9Very low46Very low129 Ų129114.7 Ų114.769%0.6962%0.619SS**SBendtrans-93-15.1-177.8-66.4-25.8000115.1
46A50.8Low46.7Very low61 Ų61114.5 Ų114.550%0.50461%0.605SS.*Hα-helixtrans-78.5-30.8-178.100000113.1E50A46-E50 VanDerWaalsContact O-CB 3.31Å; A46-E50 WeakPolarHBondContact O-CB 3.48Å; A46-E50 PolarHBondContact O-N 3.16Å
47T57.5Low47.4Very low68 Ų68112.9 Ų112.942%0.41759%0.587SS.*Hα-helixtrans-80.4-31-171.155.80000113.4R51T47-R51 WeakPolarHBondContact O-CB 3.38Å; T47-R51 VanDerWaalsContact O-CG 3.24Å; T47-R51 WeakPolarHBondContact O-CG 3.39Å; T47-R51 PolarHBondContact O-N 3.46Å
48L54.7Low47.7Very low132 Ų132112.3 Ų112.369%0.69158%0.583SS**Hα-helixtrans-70.7-46179.6-171.393.3000111.4R51 K52L48-R51 PolarHBondContact O-N 2.82Å; L48-K52 VanDerWaalsContact O-CB 3.27Å; L48-K52 WeakPolarHBondContact O-CB 3.15Å; L48-K52 PolarHBondContact O-N 3.4Å
49L53.9Low48Very low90 Ų90113.9 Ų113.947%0.47158%0.584SS.*Hα-helixtrans-62.3-46.7176.1-79.9168.3000109.9R51 K52 W53L49-R51 PolarHBondContact O-N 3.48Å; L49-K52 CarbonylContact O-C 3.58Å; L49-K52 WeakPolarHBondContact O-CA 3.31Å; L49-K52 WeakPolarHBondContact O-CB 3.29Å; L49-K52 PolarHBondContact O-N 3.06Å; L49-K52 VanDerWaalsContact O-N 3.07Å; L49-W53 VanDerWaalsContact C-CD1 3.49Å; L49-W53 PolarHBondContact O-N 3.03Å
50E55.2Low48.6Very low95 Ų95113.4 Ų113.444%0.44458%0.583SS.*Hα-helixtrans-59.3-44.7179.3-159.4156.6-144.100112.2A46 K52 W53 E54A46-E50 VanDerWaalsContact O-CB 3.31Å; A46-E50 WeakPolarHBondContact O-CB 3.48Å; A46-E50 PolarHBondContact O-N 3.16Å; E50-K52 VanDerWaalsContact C-N 3.34Å; E50-K52 PolarHBondContact O-N 2.7Å; E50-W53 PolarHBondContact O-N 3.08Å; E50-E54 PolarHBondContact O-N 2.99Å
51R51.7Low48.9Very low186 Ų186116.2 Ų116.270%0.70258%0.582SS**Hα-helixtrans-64.5-34.6172.1-73.2176.2-174.8-176.22113.6T47 L48 L49 W53 E54 T55T47-R51 WeakPolarHBondContact O-CB 3.38Å; T47-R51 VanDerWaalsContact O-CG 3.24Å; T47-R51 WeakPolarHBondContact O-CG 3.39Å; T47-R51 PolarHBondContact O-N 3.46Å; L48-R51 PolarHBondContact O-N 2.82Å; L49-R51 PolarHBondContact O-N 3.48Å; R51-W53 VanDerWaalsContact C-N 3.33Å; R51-E54 PolarHBondContact O-N 3.23Å; R51-T55 PolarHBondContact O-N 3.39Å; R51-T55 PolarHBondContact O-OG1 2.97Å; R51-T55 VanDerWaalsContact O-OG1 3.06Å
52K52.3Low49.3Very low125 Ų125118.5 Ų118.554%0.54359%0.586SS.*Hα-helixtrans-68.1-33.8175.5-173.2177.1177.9179.70111.3L48 L49 E50 T55 L56L48-K52 VanDerWaalsContact O-CB 3.27Å; L48-K52 WeakPolarHBondContact O-CB 3.15Å; L48-K52 PolarHBondContact O-N 3.4Å; L49-K52 CarbonylContact O-C 3.58Å; L49-K52 WeakPolarHBondContact O-CA 3.31Å; L49-K52 WeakPolarHBondContact O-CB 3.29Å; L49-K52 PolarHBondContact O-N 3.06Å; L49-K52 VanDerWaalsContact O-N 3.07Å; E50-K52 VanDerWaalsContact C-N 3.34Å; E50-K52 PolarHBondContact O-N 2.7Å; K52-T55 WeakPolarHBondContact CA-OG1 3.41Å; K52-T55 PolarHBondContact O-OG1 3.36Å; K52-L56 HydrophobicContact CG-CD1 4.33Å; K52-L56 WeakPolarHBondContact O-CG 3.29Å; K52-L56 PolarHBondContact O-N 3.26Å
53W50.1Low49.8Very low85 Ų85116.1 Ų116.132%0.32259%0.591SS.*Hα-helixtrans-68.5-43.2175-70.1110.3000111.8L49 E50 R51 T55 L56 F57 R133L49-W53 VanDerWaalsContact C-CD1 3.49Å; L49-W53 PolarHBondContact O-N 3.03Å; E50-W53 PolarHBondContact O-N 3.08Å; R51-W53 VanDerWaalsContact C-N 3.33Å; W53-T55 VanDerWaalsContact C-N 3.3Å; W53-T55 PolarHBondContact O-N 3.11Å; W53-L56 HydrophobicContact CE3-CD1 4.37Å; W53-L56 PolarHBondContact O-N 2.94Å; W53-F57 HydrophobicContact CB-CE2 4.1Å; W53-F57 HydrophobicContact CE3-CE2 4.4Å; W53-F57 HydrophobicContact CE3-CZ 4.13Å; W53-F57 WeakPolarHBondContact O-CD2 3.27Å; W53-F57 WeakPolarHBondContact O-CE2 3.41Å; W53-F57 PolarHBondContact O-N 2.88Å; W53-R133 VanDerWaalsContact CZ2-NH1 3.28Å
54E52.6Low49.7Very low92 Ų92111.9 Ų111.943%0.4359%0.59SS.*Hα-helixtrans-62.4-34.9177.6-64.2-60.916500113.1E50 R51E50-E54 PolarHBondContact O-N 2.99Å; R51-E54 PolarHBondContact O-N 3.23Å
55T52.8Low49.5Very low94 Ų94116.1 Ų116.158%0.57761%0.609SS**Hα-helixtrans-75.6-26.6176.946.80000113.3R51 K52 W53R51-T55 PolarHBondContact O-N 3.39Å; R51-T55 PolarHBondContact O-OG1 2.97Å; R51-T55 VanDerWaalsContact O-OG1 3.06Å; K52-T55 WeakPolarHBondContact CA-OG1 3.41Å; K52-T55 PolarHBondContact O-OG1 3.36Å; W53-T55 VanDerWaalsContact C-N 3.3Å; W53-T55 PolarHBondContact O-N 3.11Å
56L54Low49.8Very low80 Ų80113.4 Ų113.442%0.41961%0.612SS.*Hα-helixtrans-74.9-32.1176.6-71.7170.6000113K52 W53 S58K52-L56 HydrophobicContact CG-CD1 4.33Å; K52-L56 WeakPolarHBondContact O-CG 3.29Å; K52-L56 PolarHBondContact O-N 3.26Å; W53-L56 HydrophobicContact CE3-CD1 4.37Å; W53-L56 PolarHBondContact O-N 2.94Å; L56-S58 PolarHBondContact O-N 3.07Å
57F51.8Low49.3Very low58 Ų58113.3 Ų113.325%0.25462%0.617SS.*THydrogen-bonded Turntrans-74.2-9.5175.9-61.4-58.6000114.2W53 V84 L116 V132W53-F57 HydrophobicContact CB-CE2 4.1Å; W53-F57 HydrophobicContact CE3-CE2 4.4Å; W53-F57 HydrophobicContact CE3-CZ 4.13Å; W53-F57 WeakPolarHBondContact O-CD2 3.27Å; W53-F57 WeakPolarHBondContact O-CE2 3.41Å; W53-F57 PolarHBondContact O-N 2.88Å; F57-V84 HydrophobicContact CD1-CB 3.94Å; F57-V84 HydrophobicContact CD1-CG1 4.02Å; F57-V84 HydrophobicContact CD1-CG2 3.54Å; F57-V84 HydrophobicContact CE1-CB 4.37Å; F57-V84 HydrophobicContact CE1-CG1 4.11Å; F57-V84 HydrophobicContact CE1-CG2 3.78Å; F57-V84 HydrophobicContact CG-CB 4.37Å; F57-V84 HydrophobicContact CG-CG1 4.3Å; F57-V84 HydrophobicContact CG-CG2 4.44Å; F57-V84 HydrophobicContact CZ-CG1 4.47Å; F57-L116 HydrophobicContact CE2-CD1 4.36Å; F57-V132 HydrophobicContact CE1-CG1 4.22Å; F57-V132 HydrophobicContact CZ-CG1 3.63Å
58S42.4Very low49Very low100 Ų100122.1 Ų122.170%0.69964%0.642SS**THydrogen-bonded Turntrans-88.2-9178.3-70.80000114.4L56L56-S58 PolarHBondContact O-N 3.07Å
59R43Very low48.6Very low202 Ų202119.6 Ų119.676%0.76264%0.636SS**SBendtrans-98.696.2174.5-90.4-175.2172-148.7-1110.1Y61R59-Y61 PolarHBondContact O-N 3.07Å; R59-Y61 VanDerWaalsContact O-N 3.07Å
60S45.5Very low48.5Very low112 Ų112124 Ų12478%0.78365%0.654SS**  trans-23.6107.2155.233.20000112.8L62S60-L62 PolarHBondContact O-N 3.31Å
61Y46.6Very low48.3Very low182 Ų182127.4 Ų127.471%0.71468%0.675SS**  trans-67.6104.6177.1-77.9-94.7000109.3R59 G63R59-Y61 PolarHBondContact O-N 3.07Å; R59-Y61 VanDerWaalsContact O-N 3.07Å; Y61-G63 PolarHBondContact O-N 2.75Å
62L44.5Very low48.4Very low171 Ų171121.8 Ų121.890%0.89566%0.659SS**  trans-60.4109.4169.5-80.2162000109.9S60S60-L62 PolarHBondContact O-N 3.31Å
63G47.7Very low48.3Very low75 Ų75123.4 Ų123.477%0.77366%0.661SS**  trans-101.991.8164.400000110Y61Y61-G63 PolarHBondContact O-N 2.75Å
64V46.1Very low48.4Very low136 Ų136126.2 Ų126.282%0.82468%0.678SS**  trans-136.3102.81621800000107.6
65N40.5Very low48.6Very low165 Ų165123.6 Ų123.688%0.88267%0.67SS**  trans-125.1121.6154.9-161.111.3000107.9
66G51.4Low48.8Very low73 Ų73122.4 Ų122.475%0.75366%0.66SS**  trans-83.5119.5-172.100000111.9
67G40.5Very low49Very low58 Ų58124.8 Ų124.860%0.59866%0.664SS**  trans-155.8115.616600000109.5S69G67-S69 PolarHBondContact O-N 3.21Å
68R51.2Low49.4Very low253 Ų253123.3 Ų123.396%0.95566%0.659SS**  trans-63.4118.5179.4-90.6175.5170.6168.7-3.6110.9
69S46Very low50.3Low80 Ų80123.6 Ų123.656%0.55965%0.649SS**  trans-140.2121.4147.555.60000108.9G67G67-S69 PolarHBondContact O-N 3.21Å
70Q53.3Low51.4Low181 Ų181116.7 Ų116.785%0.84664%0.641SS**THydrogen-bonded Turntrans-78123.8-177.1-142.1168.7-5.900106.8
71L50.3Low53Low167 Ų167116.1 Ų116.187%0.87463%0.628SS**THydrogen-bonded Turntrans104.431.4173.7-51.5173.3000119.6
72N53.5Low55Low69 Ų69113 Ų11337%0.36962%0.618SS.*  trans-145.414.9158.1-161.140.2000116Q74 S75 D76N72-Q74 PolarHBondContact O-N 2.88Å; N72-S75 PolarHBondContact O-N 3.12Å; N72-S75 VanDerWaalsContact OD1-CB 3.24Å; N72-S75 WeakPolarHBondContact OD1-CB 3.31Å; N72-S75 PolarHBondContact OD1-OG 2.8Å; N72-D76 PolarHBondContact ND2-OD1 2.91Å; N72-D76 VanDerWaalsContact O-CG 3.31Å; N72-D76 PolarHBondContact O-N 3.01Å
73W49.8Very low57.3Low158 Ų158107.7 Ų107.760%0.59859%0.586SS**Hα-helixtrans-49.7-30.2179.9-60.6110.8000113.2Y77W73-Y77 WeakPolarHBondContact O-CB 3.43Å; W73-Y77 WeakPolarHBondContact O-CD1 3.5Å; W73-Y77 PolarHBondContact O-N 3.24Å
74Q52Low59.6Low145 Ų145105.3 Ų105.368%0.67856%0.557SS**Hα-helixtrans-67.2-46.5179.8-97.2158.51200115N72 Y77 L78N72-Q74 PolarHBondContact O-N 2.88Å; Q74-Y77 VanDerWaalsContact CA-CD1 3.42Å; Q74-Y77 HydrophobicContact CB-CD1 4.45Å; Q74-Y77 HydrophobicContact CB-CE1 3.85Å; Q74-Y77 HydrophobicContact CG-CD1 4.28Å; Q74-Y77 HydrophobicContact CG-CE1 3.41Å; Q74-Y77 VanDerWaalsContact CG-CE1 3.41Å; Q74-Y77 VanDerWaalsContact O-CD1 3.3Å; Q74-Y77 WeakPolarHBondContact O-CD1 3.48Å; Q74-Y77 WeakPolarHBondContact O-CE1 3.28Å; Q74-Y77 VanDerWaalsContact O-CZ 3.29Å; Q74-L78 VanDerWaalsContact O-CG 3.31Å; Q74-L78 WeakPolarHBondContact O-CG 3.5Å
75S56.7Low62Low37 Ų37102.5 Ų102.526%0.25953%0.531SS..Hα-helixtrans-75.3-33.9174.7-64.70000111.5N72 L78 Q79N72-S75 PolarHBondContact O-N 3.12Å; N72-S75 VanDerWaalsContact OD1-CB 3.24Å; N72-S75 WeakPolarHBondContact OD1-CB 3.31Å; N72-S75 PolarHBondContact OD1-OG 2.8Å; S75-L78 WeakPolarHBondContact O-CB 3.25Å; S75-L78 PolarHBondContact O-N 3.1Å; S75-Q79 WeakPolarHBondContact O-CG 3.25Å; S75-Q79 PolarHBondContact O-N 3.28Å
76D58.1Low64.7Low68 Ų6895.4 Ų95.436%0.36449%0.492SS..Hα-helixtrans-71.3-37.1-177.1-61.4-19.1000111.9N72 L78 Q79 G80N72-D76 PolarHBondContact ND2-OD1 2.91Å; N72-D76 VanDerWaalsContact O-CG 3.31Å; N72-D76 PolarHBondContact O-N 3.01Å; D76-L78 VanDerWaalsContact C-N 3.3Å; D76-L78 PolarHBondContact O-N 2.87Å; D76-Q79 PolarHBondContact O-N 3.43Å; D76-G80 PolarHBondContact O-N 3.38Å
77Y59.1Low67Low131 Ų13192 Ų9251%0.51446%0.456SS..Hα-helixtrans-66.2-35.2172.379.9-119.2000111.5W73 Q74 G80W73-Y77 WeakPolarHBondContact O-CB 3.43Å; W73-Y77 WeakPolarHBondContact O-CD1 3.5Å; W73-Y77 PolarHBondContact O-N 3.24Å; Q74-Y77 VanDerWaalsContact CA-CD1 3.42Å; Q74-Y77 HydrophobicContact CB-CD1 4.45Å; Q74-Y77 HydrophobicContact CB-CE1 3.85Å; Q74-Y77 HydrophobicContact CG-CD1 4.28Å; Q74-Y77 HydrophobicContact CG-CE1 3.41Å; Q74-Y77 VanDerWaalsContact CG-CE1 3.41Å; Q74-Y77 VanDerWaalsContact O-CD1 3.3Å; Q74-Y77 WeakPolarHBondContact O-CD1 3.48Å; Q74-Y77 WeakPolarHBondContact O-CE1 3.28Å; Q74-Y77 VanDerWaalsContact O-CZ 3.29Å; Y77-G80 PolarHBondContact O-N 2.78Å
78L59.6Low69.7Low27 Ų2791 Ų9114%0.14144%0.435CS..Hα-helixtrans-65.6-42.4178.1-73.5173.1000109.9Q74 S75 D76 G80 I81 T121 R124Q74-L78 VanDerWaalsContact O-CG 3.31Å; Q74-L78 WeakPolarHBondContact O-CG 3.5Å; S75-L78 WeakPolarHBondContact O-CB 3.25Å; S75-L78 PolarHBondContact O-N 3.1Å; D76-L78 VanDerWaalsContact C-N 3.3Å; D76-L78 PolarHBondContact O-N 2.87Å; L78-G80 PolarHBondContact O-N 2.92Å; L78-G80 VanDerWaalsContact O-N 3.12Å; L78-I81 PolarHBondContact O-N 3.29Å; L78-T121 WeakPolarHBondContact O-CB 3.34Å; L78-T121 PolarHBondContact O-OG1 2.8Å; L78-R124 HydrophobicContact CD1-CB 4.28Å
79Q61.4Low72Confident106 Ų10679 Ų7950%0.49539%0.39SS..Hα-helixtrans-63.3-20.1179.1-71.8175.48.700114S75 D76 T121S75-Q79 WeakPolarHBondContact O-CG 3.25Å; S75-Q79 PolarHBondContact O-N 3.28Å; D76-Q79 PolarHBondContact O-N 3.43Å; Q79-T121 WeakPolarHBondContact CA-O 3.33Å
80G65.8Low74.4Confident57 Ų5779.4 Ų79.459%0.58839%0.386SS*.THydrogen-bonded Turntrans-79.7-18.2177.600000115.4D76 Y77 L78 K82D76-G80 PolarHBondContact O-N 3.38Å; Y77-G80 PolarHBondContact O-N 2.78Å; L78-G80 PolarHBondContact O-N 2.92Å; L78-G80 VanDerWaalsContact O-N 3.12Å; G80-K82 PolarHBondContact O-N 2.97Å
81I78.8Confident76.5Confident100 Ų10071.2 Ų71.251%0.51335%0.348SS..  trans-86.1106.5-175.2-56.5175.1000110L78 T121L78-I81 PolarHBondContact O-N 3.29Å; I81-T121 PolarHBondContact O-OG1 3.13Å
82K88.1Confident78.7Confident117 Ų11766.2 Ų66.251%0.50934%0.336SS..EExtended strand (participates in β ladder)trans-115.4132.3175.9-63.2-177.4163.9-145.20110.1G80 E118G80-K82 PolarHBondContact O-N 2.97Å; K82-E118 HydrophobicContact CB-CG 4.49Å; K82-E118 WeakPolarHBondContact CD-OE1 3.36Å; K82-E118 WeakPolarHBondContact CE-OE1 3.48Å; K82-E118 IonicContact NZ-OE1 2.76Å; K82-E118 PolarHBondContact NZ-OE1 2.78Å
83R93.8Very high80.8Confident58 Ų5868.2 Ų68.222%0.21935%0.346CS..EExtended strand (participates in β ladder)trans-129.4128.6175.961.5-171.9173.5105-2.2110.1R85 I119 E160R83-R85 HydrophobicContact CG-CG 4.47Å; R83-I119 HydrophobicContact CG-CB 3.71Å; R83-I119 HydrophobicContact CG-CD1 4.32Å; R83-I119 HydrophobicContact CG-CG1 4.4Å; R83-I119 HydrophobicContact CG-CG2 4.41Å; R83-I119 VanDerWaalsContact CZ-CD1 3.44Å; R83-I119 PolarHBondContact N-O 2.81Å; R83-I119 PolarHBondContact O-N 2.8Å; R83-E160 IonicContact CZ-OE1 3.72Å; R83-E160 IonicContact CZ-OE2 3.85Å; R83-E160 IonicContact NH1-OE1 3.91Å; R83-E160 IonicContact NH2-OE1 2.69Å; R83-E160 PolarHBondContact NH2-OE1 3.03Å; R83-E160 IonicContact NH2-OE2 2.71Å; R83-E160 PolarHBondContact NH2-OE2 2.88Å
84V95.1Very high83Confident25 Ų2560.7 Ų60.715%0.15232%0.317CS..EExtended strand (participates in β ladder)trans-96.9119.4175-179.30000108.8F57 L116 I117 E118 V132F57-V84 HydrophobicContact CD1-CB 3.94Å; F57-V84 HydrophobicContact CD1-CG1 4.02Å; F57-V84 HydrophobicContact CD1-CG2 3.54Å; F57-V84 HydrophobicContact CE1-CB 4.37Å; F57-V84 HydrophobicContact CE1-CG1 4.11Å; F57-V84 HydrophobicContact CE1-CG2 3.78Å; F57-V84 HydrophobicContact CG-CB 4.37Å; F57-V84 HydrophobicContact CG-CG1 4.3Å; F57-V84 HydrophobicContact CG-CG2 4.44Å; F57-V84 HydrophobicContact CZ-CG1 4.47Å; V84-L116 HydrophobicContact CG1-CB 4.48Å; V84-L116 HydrophobicContact CG1-CD2 4.17Å; V84-I117 WeakPolarHBondContact CA-O 3.24Å; V84-E118 HydrophobicContact CG2-CB 4.17Å; V84-E118 HydrophobicContact CG2-CG 4.4Å; V84-V132 HydrophobicContact CG1-CG2 4.24Å
85R97.1Very high85.3Confident77 Ų7754.5 Ų54.529%0.29129%0.289SS..EExtended strand (participates in β ladder)trans-145.3164.1-174-63.8-64.5-178.4-893.6110.4R83 I117 I119 P205 R206 L207R83-R85 HydrophobicContact CG-CG 4.47Å; R85-I117 PolarHBondContact N-O 2.85Å; R85-I117 PolarHBondContact O-N 3.46Å; R85-I117 VanDerWaalsContact O-O 3.09Å; R85-I119 HydrophobicContact CB-CD1 4.13Å; R85-I119 HydrophobicContact CG-CD1 4.49Å; R85-P205 HydrophobicContact CB-CB 4.22Å; R85-P205 HydrophobicContact CG-CB 4.22Å; R85-R206 CarbonylContact C-O 3.54Å; R85-R206 WeakPolarHBondContact CA-O 3.4Å; R85-R206 VanDerWaalsContact CB-O 3.3Å; R85-R206 WeakPolarHBondContact CB-O 3.48Å; R85-R206 VanDerWaalsContact CD-O 3.24Å; R85-R206 WeakPolarHBondContact CD-O 3.46Å; R85-L207 VanDerWaalsContact NH1-CD2 3.26Å
86R97.8Very high87.2Confident17 Ų1753 Ų536%0.06428%0.278CS..EExtended strand (participates in β ladder)trans-100.9130.1165.5-62.2173.5171.982.6-5.1108.6Y88 E111 L116 R206 L207R86-Y88 PolarHBondContact O-N 2.94Å; R86-E111 IonicContact CZ-OE2 3.82Å; R86-E111 IonicContact NE-OE2 3.83Å; R86-E111 IonicContact NH2-OE2 3.98Å; R86-L116 HydrophobicContact CG-CD2 4.19Å; R86-L116 VanDerWaalsContact CZ-CD2 3.47Å; R86-R206 PolarHBondContact N-O 2.98Å; R86-R206 PolarHBondContact O-N 2.85Å; R86-L207 PolarHBondContact NH1-OXT 3.27Å
87L98.3Very high89.2Confident0 Ų049.8 Ų49.80%026%0.26CS..EExtended strand (participates in β ladder)trans-90.298.5178.1-64-177.6000109.9H96 L97 I117 I119 L129 Y170 F203 P205L87-H96 CarbonylContact O-C 3.48Å; L87-H96 WeakPolarHBondContact O-CA 3.29Å; L87-L97 HydrophobicContact CB-CB 4.05Å; L87-L97 HydrophobicContact CD1-CD2 4.07Å; L87-L97 PolarHBondContact O-N 2.84Å; L87-I117 HydrophobicContact CD1-CD1 4.01Å; L87-I117 HydrophobicContact CG-CD1 4.16Å; L87-I119 HydrophobicContact CD2-CD1 3.88Å; L87-L129 HydrophobicContact CD1-CD1 3.97Å; L87-L129 HydrophobicContact CD1-CD2 3.96Å; L87-Y170 HydrophobicContact CD1-CD2 4.45Å; L87-Y170 HydrophobicContact CD1-CE2 3.86Å; L87-Y170 HydrophobicContact CD2-CE2 3.99Å; L87-Y170 WeakPolarHBondContact CD2-OH 3.25Å; L87-Y170 HydrophobicContact CG-CE2 4.5Å; L87-F203 HydrophobicContact CB-CB 4.47Å; L87-F203 HydrophobicContact CB-CD1 3.94Å; L87-P205 HydrophobicContact CD2-CB 4.29Å; L87-P205 HydrophobicContact CD2-CG 4.19Å
88Y98.4Very high91Very high39 Ų3944.3 Ų44.315%0.15324%0.239CC..EExtended strand (participates in β ladder)trans-91124.5-177.3176.7-102.3000112.3R86 N90 G94 F95 H96 F203 L204R86-Y88 PolarHBondContact O-N 2.94Å; Y88-N90 HydrophobicContact CE1-CB 3.84Å; Y88-G94 WeakPolarHBondContact OH-CA 3.11Å; Y88-F95 CarbonylContact C-O 3.54Å; Y88-H96 AromaticContact CD2-CD2 3.85Å; Y88-H96 AromaticContact CD2-CE1 3.76Å; Y88-H96 AromaticContact CD2-NE2 3.47Å; Y88-H96 WeakPolarHBondContact CD2-NE2 3.48Å; Y88-F203 CarbonylContact O-C 3.56Å; Y88-F203 VanDerWaalsContact O-CA 3.3Å; Y88-F203 WeakPolarHBondContact O-CA 3.35Å; Y88-L204 PolarHBondContact N-O 2.7Å; Y88-L204 PolarHBondContact O-N 3.11Å
89C98.3Very high92.9Very high0 Ų043 Ų430%023%0.232CC..EExtended strand (participates in β ladder)trans-105.8121173.4-172.90000109.9V91 G94 F95 L182 H202 F203C89-V91 VanDerWaalsContact C-N 3.3Å; C89-V91 HydrophobicContact CB-CG2 4.4Å; C89-V91 PolarHBondContact O-N 3.48Å; C89-G94 WeakPolarHBondContact O-CA 3.34Å; C89-F95 PolarHBondContact N-O 2.77Å; C89-F95 PolarHBondContact O-N 2.76Å; C89-L182 HydrophobicContact CB-CB 4.42Å; C89-L182 HydrophobicContact CB-CD1 4.12Å; C89-H202 WeakPolarHBondContact CA-O 3.46Å; C89-H202 PolarHBondContact SG-O 3.31Å; C89-F203 HydrophobicContact CB-CD1 3.78Å; C89-F203 HydrophobicContact CB-CE1 3.61Å; C89-F203 HydrophobicContact CB-CZ 4.18Å
90N97.4Very high94.6Very high89 Ų8939.7 Ų39.748%0.47622%0.218SC..  trans-83.170.7-179-170.711.3000111.5Y88 Y167Y88-N90 HydrophobicContact CE1-CB 3.84Å; N90-Y167 HydrophobicContact CB-CE1 4.3Å
91V96.9Very high96.2Very high9 Ų940.7 Ų40.76%0.05521%0.214CC..SBendtrans-131.5138.1176.9-67.80000111.3C89 I93 G94 F95 V200C89-V91 VanDerWaalsContact C-N 3.3Å; C89-V91 HydrophobicContact CB-CG2 4.4Å; C89-V91 PolarHBondContact O-N 3.48Å; V91-I93 PolarHBondContact O-N 2.91Å; V91-G94 WeakPolarHBondContact O-CA 3.26Å; V91-G94 PolarHBondContact O-N 3.32Å; V91-F95 HydrophobicContact CG2-CD2 4.05Å; V91-F95 WeakPolarHBondContact O-CD2 3.48Å; V91-F95 VanDerWaalsContact O-CE2 3.23Å; V91-F95 WeakPolarHBondContact O-CE2 3.5Å; V91-V200 HydrophobicContact CG1-CG1 4.2Å
92G96.5Very high97.1Very high61 Ų6141.6 Ų41.663%0.62922%0.22SC*.THydrogen-bonded Turntrans60.5-119.1-175.100000110.7G94G92-G94 VanDerWaalsContact C-N 3.28Å
93I97Very high97.5Very high111 Ų11136.6 Ų36.657%0.56920%0.202SC*.THydrogen-bonded Turntrans-84.2-1.4173.661.8172.9000113.3V91 F95 H109V91-I93 PolarHBondContact O-N 2.91Å; I93-F95 HydrophobicContact CD1-CE1 4.14Å; I93-F95 HydrophobicContact CD1-CZ 4.09Å; I93-F95 HydrophobicContact CG1-CE1 3.94Å; I93-F95 HydrophobicContact CG1-CE2 4.03Å; I93-F95 HydrophobicContact CG1-CZ 3.53Å; I93-H109 HydrophobicContact CD1-CB 3.83Å; I93-H109 HydrophobicContact CG1-CB 4.4Å; I93-H109 PolarHBondContact O-CE1 3.25Å; I93-H109 PolarHBondContact O-ND1 3.05Å
94G97.9Very high97.7Very high0 Ų041.4 Ų41.40%022%0.22CC..  trans83138.2-173.800000112.5Y88 C89 V91 G92 H109Y88-G94 WeakPolarHBondContact OH-CA 3.11Å; C89-G94 WeakPolarHBondContact O-CA 3.34Å; V91-G94 WeakPolarHBondContact O-CA 3.26Å; V91-G94 PolarHBondContact O-N 3.32Å; G92-G94 VanDerWaalsContact C-N 3.28Å; G94-H109 PolarHBondContact O-ND1 3.32Å
95F98.5Very high97.9Very high16 Ų1640.7 Ų40.77%0.0722%0.215CC..EExtended strand (participates in β ladder)trans-142.4138.3-175-59.6-85.7000112Y88 C89 V91 I93 V108 H109 L182 K184 G186Y88-F95 CarbonylContact C-O 3.54Å; C89-F95 PolarHBondContact N-O 2.77Å; C89-F95 PolarHBondContact O-N 2.76Å; V91-F95 HydrophobicContact CG2-CD2 4.05Å; V91-F95 WeakPolarHBondContact O-CD2 3.48Å; V91-F95 VanDerWaalsContact O-CE2 3.23Å; V91-F95 WeakPolarHBondContact O-CE2 3.5Å; I93-F95 HydrophobicContact CD1-CE1 4.14Å; I93-F95 HydrophobicContact CD1-CZ 4.09Å; I93-F95 HydrophobicContact CG1-CE1 3.94Å; I93-F95 HydrophobicContact CG1-CE2 4.03Å; I93-F95 HydrophobicContact CG1-CZ 3.53Å; F95-V108 CarbonylContact C-O 3.58Å; F95-V108 WeakPolarHBondContact CA-O 3.5Å; F95-H109 HydrophobicContact CD1-CB 4.45Å; F95-L182 HydrophobicContact CB-CD1 3.95Å; F95-K184 WeakPolarHBondContact CE2-O 3.28Å; F95-G186 VanDerWaalsContact CZ-N 3.34Å
96H98.4Very high97.9Very high6 Ų638 Ų383%0.02821%0.209CC..EExtended strand (participates in β ladder)trans-88136.1166.7-58.495000110L87 Y88 Q98 G107 V108 H109L87-H96 CarbonylContact O-C 3.48Å; L87-H96 WeakPolarHBondContact O-CA 3.29Å; Y88-H96 AromaticContact CD2-CD2 3.85Å; Y88-H96 AromaticContact CD2-CE1 3.76Å; Y88-H96 AromaticContact CD2-NE2 3.47Å; Y88-H96 WeakPolarHBondContact CD2-NE2 3.48Å; H96-Q98 PolarHBondContact O-N 2.99Å; H96-G107 CarbonylContact O-C 3.59Å; H96-G107 VanDerWaalsContact O-CA 3.28Å; H96-G107 WeakPolarHBondContact O-CA 3.21Å; H96-V108 HydrophobicContact CB-CG1 4.27Å; H96-V108 PolarHBondContact N-O 2.95Å; H96-V108 PolarHBondContact O-N 2.92Å; H96-H109 PolarHBondContact ND1-O 3.47Å
97L98.5Very high98Very high0 Ų037.9 Ų37.90%021%0.212CC..EExtended strand (participates in β ladder)trans-62.2131.6171.1-168.469.4000109.7L87 I105 S115 I117 I180 L182 F203L87-L97 HydrophobicContact CB-CB 4.05Å; L87-L97 HydrophobicContact CD1-CD2 4.07Å; L87-L97 PolarHBondContact O-N 2.84Å; L97-I105 HydrophobicContact CD1-CG2 3.63Å; L97-I105 HydrophobicContact CG-CG2 4.28Å; L97-S115 WeakPolarHBondContact O-CA 3.34Å; L97-S115 WeakPolarHBondContact O-CB 3.44Å; L97-I117 HydrophobicContact CB-CD1 4.03Å; L97-I117 HydrophobicContact CD2-CD1 3.82Å; L97-I117 HydrophobicContact CG-CD1 4.13Å; L97-I180 HydrophobicContact CD2-CG2 4.4Å; L97-L182 HydrophobicContact CD1-CD1 4.37Å; L97-L182 HydrophobicContact CD1-CD2 4.08Å; L97-L182 HydrophobicContact CD1-CG 4.4Å; L97-F203 HydrophobicContact CB-CE1 4.43Å
98Q97.9Very high97.9Very high15 Ų1539.1 Ų39.17%0.0722%0.22CC..EExtended strand (participates in β ladder)trans-126.7137.5-178-171.8-175.721.900110H96 L100 I105 S106 V108 N112 Y114H96-Q98 PolarHBondContact O-N 2.99Å; Q98-L100 HydrophobicContact CG-CD2 4.08Å; Q98-L100 HydrophobicContact CG-CG 4.46Å; Q98-I105 WeakPolarHBondContact O-CA 3.17Å; Q98-S106 WeakPolarHBondContact CB-O 3.21Å; Q98-S106 PolarHBondContact N-O 3.03Å; Q98-S106 PolarHBondContact O-N 2.92Å; Q98-S106 VanDerWaalsContact O-N 3.13Å; Q98-V108 HydrophobicContact CB-CG1 4.03Å; Q98-V108 HydrophobicContact CG-CG1 4.4Å; Q98-N112 PolarHBondContact NE2-ND2 2.95Å; Q98-Y114 WeakPolarHBondContact CA-O 3.39Å; Q98-Y114 VanDerWaalsContact CG-CB 3.49Å
99V98.6Very high97.9Very high0 Ų042.1 Ų42.10%024%0.235CC..EExtended strand (participates in β ladder)trans-115.7108.3175.2-1710000108.4I105 Y114 S134 L136 V138V99-I105 HydrophobicContact CG1-CG1 4.36Å; V99-I105 HydrophobicContact CG2-CG1 4.48Å; V99-Y114 PolarHBondContact N-O 3.24Å; V99-S134 WeakPolarHBondContact CG1-OG 3.38Å; V99-S134 VanDerWaalsContact O-CB 3.26Å; V99-S134 WeakPolarHBondContact O-CB 3.29Å; V99-S134 PolarHBondContact O-OG 2.98Å; V99-L136 HydrophobicContact CG1-CB 3.97Å; V99-V138 HydrophobicContact CG2-CG2 3.59Å
100L98.3Very high97.7Very high36 Ų3645.7 Ų45.719%0.18826%0.26CS..  trans-83.3157.2-176.3-65173.2000111.8Q98 D102 G103 R104 Y114 L136Q98-L100 HydrophobicContact CG-CD2 4.08Å; Q98-L100 HydrophobicContact CG-CG 4.46Å; L100-D102 WeakPolarHBondContact CB-OD1 3.28Å; L100-D102 PolarHBondContact O-N 2.52Å; L100-G103 PolarHBondContact O-N 3.2Å; L100-R104 HydrophobicContact CB-CB 4.48Å; L100-R104 WeakPolarHBondContact CB-O 3.48Å; L100-R104 HydrophobicContact CD1-CB 4.2Å; L100-R104 HydrophobicContact CD1-CG 4.46Å; L100-R104 PolarHBondContact N-O 3.45Å; L100-Y114 HydrophobicContact CD2-CD2 4.41Å; L100-Y114 HydrophobicContact CD2-CG 4.5Å; L100-L136 WeakPolarHBondContact O-CD1 3.37Å
101P98.1Very high97.4Very high79 Ų7946.6 Ų46.651%0.51326%0.261SS..THydrogen-bonded Turntrans-61.9-24.9-180-24.334.8000114.9G103 Y114P101-G103 PolarHBondContact O-N 3.12Å; P101-Y114 HydrophobicContact CG-CD1 4.23Å; P101-Y114 HydrophobicContact CG-CE1 3.42Å; P101-Y114 VanDerWaalsContact CG-CE1 3.42Å
102D97.6Very high97.2Very high118 Ų11848.2 Ų48.263%0.63127%0.27SS*.THydrogen-bonded Turntrans-77.21.117667.8-15000113L100 R104L100-D102 WeakPolarHBondContact CB-OD1 3.28Å; L100-D102 PolarHBondContact O-N 2.52Å; D102-R104 VanDerWaalsContact C-N 3.27Å; D102-R104 PolarHBondContact O-N 3.47Å; D102-R104 WeakPolarHBondContact OD1-CB 3.4Å; D102-R104 PolarHBondContact OD1-N 3.31Å
103G97.7Very high97.2Very high13 Ų1347.1 Ų47.113%0.13425%0.252CS..SBendtrans80.24.5-175.600000113.9L100 P101 G148L100-G103 PolarHBondContact O-N 3.2Å; P101-G103 PolarHBondContact O-N 3.12Å; G103-G148 PolarHBondContact O-N 3.39Å
104R98.1Very high97.2Very high158 Ų15845.8 Ų45.860%0.59624%0.24SC*.  trans-77.8141.1173.6-174.1176.6175.2-179.2-2.6110.6L100 D102L100-R104 HydrophobicContact CB-CB 4.48Å; L100-R104 WeakPolarHBondContact CB-O 3.48Å; L100-R104 HydrophobicContact CD1-CB 4.2Å; L100-R104 HydrophobicContact CD1-CG 4.46Å; L100-R104 PolarHBondContact N-O 3.45Å; D102-R104 VanDerWaalsContact C-N 3.27Å; D102-R104 PolarHBondContact O-N 3.47Å; D102-R104 WeakPolarHBondContact OD1-CB 3.4Å; D102-R104 PolarHBondContact OD1-N 3.31Å
105I98.5Very high97.2Very high11 Ų1145.8 Ų45.86%0.05624%0.24CC..EExtended strand (participates in β ladder)trans-113.3134.1174.9-61.1-177.6000108.9L97 Q98 V99 V138 L146 Y147 V188L97-I105 HydrophobicContact CD1-CG2 3.63Å; L97-I105 HydrophobicContact CG-CG2 4.28Å; Q98-I105 WeakPolarHBondContact O-CA 3.17Å; V99-I105 HydrophobicContact CG1-CG1 4.36Å; V99-I105 HydrophobicContact CG2-CG1 4.48Å; I105-V138 HydrophobicContact CD1-CB 4.1Å; I105-V138 HydrophobicContact CD1-CG1 3.72Å; I105-V138 HydrophobicContact CD1-CG2 3.98Å; I105-L146 HydrophobicContact CB-CB 4.25Å; I105-L146 HydrophobicContact CD1-CB 4.06Å; I105-L146 HydrophobicContact CG2-CB 4.36Å; I105-L146 HydrophobicContact CG2-CD1 4.25Å; I105-Y147 VanDerWaalsContact CD1-C 3.45Å; I105-Y147 WeakPolarHBondContact CD1-O 3.4Å; I105-V188 HydrophobicContact CB-CG2 4.29Å; I105-V188 HydrophobicContact CG2-CG2 3.92Å; I105-V188 WeakPolarHBondContact O-CG2 3.43Å
106S98.1Very high97.1Very high21 Ų2145.5 Ų45.515%0.14724%0.239CC..EExtended strand (participates in β ladder)trans-152.6172.5179.649.30000111.4Q98Q98-S106 WeakPolarHBondContact CB-O 3.21Å; Q98-S106 PolarHBondContact N-O 3.03Å; Q98-S106 PolarHBondContact O-N 2.92Å; Q98-S106 VanDerWaalsContact O-N 3.13Å
107G98.2Very high97.1Very high14 Ų1445.2 Ų45.214%0.14424%0.238CC..EExtended strand (participates in β ladder)trans-97.9136.9169.200000111.2H96 G186H96-G107 CarbonylContact O-C 3.59Å; H96-G107 VanDerWaalsContact O-CA 3.28Å; H96-G107 WeakPolarHBondContact O-CA 3.21Å; G107-G186 WeakPolarHBondContact CA-O 3.36Å; G107-G186 PolarHBondContact N-O 3.29Å
108V97.8Very high97.1Very high25 Ų2547.1 Ų47.115%0.15225%0.247CC..EExtended strand (participates in β ladder)trans-121.2135.817464.90000110F95 H96 Q98 S110 N112F95-V108 CarbonylContact C-O 3.58Å; F95-V108 WeakPolarHBondContact CA-O 3.5Å; H96-V108 HydrophobicContact CB-CG1 4.27Å; H96-V108 PolarHBondContact N-O 2.95Å; H96-V108 PolarHBondContact O-N 2.92Å; Q98-V108 HydrophobicContact CB-CG1 4.03Å; Q98-V108 HydrophobicContact CG-CG1 4.4Å; V108-S110 WeakPolarHBondContact CG1-O 3.3Å; V108-S110 WeakPolarHBondContact CG2-O 3.03Å; V108-N112 HydrophobicContact CG1-CB 4.36Å
109H96.8Very high97Very high102 Ų10246.5 Ų46.547%0.47224%0.244SC..SBendtrans-72.2-54.1-178.4179.363.5000111.5I93 G94 F95 H96I93-H109 HydrophobicContact CD1-CB 3.83Å; I93-H109 HydrophobicContact CG1-CB 4.4Å; I93-H109 PolarHBondContact O-CE1 3.25Å; I93-H109 PolarHBondContact O-ND1 3.05Å; G94-H109 PolarHBondContact O-ND1 3.32Å; F95-H109 HydrophobicContact CD1-CB 4.45Å; H96-H109 PolarHBondContact ND1-O 3.47Å
110S94.3Very high96.9Very high76 Ų7647.1 Ų47.153%0.53125%0.248SC..SBendtrans-73.9146176.658.60000111.7V108 N112V108-S110 WeakPolarHBondContact CG1-O 3.3Å; V108-S110 WeakPolarHBondContact CG2-O 3.03Å; S110-N112 PolarHBondContact O-N 3.43Å
111E91.2Very high96.6Very high108 Ų10846.9 Ų46.951%0.50525%0.248SC..  trans-58.9134.1170.4-64.5178.3-164.700110.5R86R86-E111 IonicContact CZ-OE2 3.82Å; R86-E111 IonicContact NE-OE2 3.83Å; R86-E111 IonicContact NH2-OE2 3.98Å
112N93.1Very high96.4Very high42 Ų4244.7 Ų44.723%0.22523%0.234CC..  trans-140.4145.4-178.1178.1-40.1000108.4Q98 V108 S110 Y114 S115Q98-N112 PolarHBondContact NE2-ND2 2.95Å; V108-N112 HydrophobicContact CG1-CB 4.36Å; S110-N112 PolarHBondContact O-N 3.43Å; N112-Y114 PolarHBondContact O-N 2.8Å; N112-Y114 VanDerWaalsContact O-N 3.08Å; N112-Y114 WeakPolarHBondContact OD1-CD2 3.44Å; N112-Y114 PolarHBondContact OD1-N 2.81Å; N112-S115 PolarHBondContact N-OG 2.83Å; N112-S115 WeakPolarHBondContact O-CB 3.46Å; N112-S115 PolarHBondContact O-N 3.45Å; N112-S115 PolarHBondContact O-OG 3.28Å
113P95.9Very high96.1Very high39 Ų3942.9 Ų42.925%0.25322%0.224SC..G310 helixtrans-45.5-39.3172.3-29.733.3000114.5S115 L116 R133P113-S115 PolarHBondContact O-N 3.11Å; P113-L116 WeakPolarHBondContact O-CB 3.31Å; P113-L116 PolarHBondContact O-N 2.91Å; P113-R133 HydrophobicContact CB-CG 3.64Å; P113-R133 WeakPolarHBondContact O-CG 2.86Å
114Y97.9Very high95.7Very high82 Ų8252.7 Ų52.732%0.32226%0.257SS..G310 helixtrans-72.1-5.8178.8-61.7-66.9000115Q98 V99 L100 P101 N112 R133Q98-Y114 WeakPolarHBondContact CA-O 3.39Å; Q98-Y114 VanDerWaalsContact CG-CB 3.49Å; V99-Y114 PolarHBondContact N-O 3.24Å; L100-Y114 HydrophobicContact CD2-CD2 4.41Å; L100-Y114 HydrophobicContact CD2-CG 4.5Å; P101-Y114 HydrophobicContact CG-CD1 4.23Å; P101-Y114 HydrophobicContact CG-CE1 3.42Å; P101-Y114 VanDerWaalsContact CG-CE1 3.42Å; N112-Y114 PolarHBondContact O-N 2.8Å; N112-Y114 VanDerWaalsContact O-N 3.08Å; N112-Y114 WeakPolarHBondContact OD1-CD2 3.44Å; N112-Y114 PolarHBondContact OD1-N 2.81Å; Y114-R133 HydrophobicContact CD1-CB 3.71Å; Y114-R133 HydrophobicContact CE1-CB 3.96Å
115S97.7Very high95.5Very high0 Ų047 Ų470%025%0.247CC..G310 helixtrans-92.9-4.3173.668.30000113.4L97 N112 P113 I117L97-S115 WeakPolarHBondContact O-CA 3.34Å; L97-S115 WeakPolarHBondContact O-CB 3.44Å; N112-S115 PolarHBondContact N-OG 2.83Å; N112-S115 WeakPolarHBondContact O-CB 3.46Å; N112-S115 PolarHBondContact O-N 3.45Å; N112-S115 PolarHBondContact O-OG 3.28Å; P113-S115 PolarHBondContact O-N 3.11Å; S115-I117 PolarHBondContact O-N 2.86Å
116L97.5Very high95.4Very high11 Ų1147 Ų476%0.05825%0.247CC..  trans-74.9118.1171.2-72172.7000109.8F57 V84 R86 P113 V132F57-L116 HydrophobicContact CE2-CD1 4.36Å; V84-L116 HydrophobicContact CG1-CB 4.48Å; V84-L116 HydrophobicContact CG1-CD2 4.17Å; R86-L116 HydrophobicContact CG-CD2 4.19Å; R86-L116 VanDerWaalsContact CZ-CD2 3.47Å; P113-L116 WeakPolarHBondContact O-CB 3.31Å; P113-L116 PolarHBondContact O-N 2.91Å; L116-V132 HydrophobicContact CB-CB 4.2Å; L116-V132 HydrophobicContact CB-CG2 4.31Å; L116-V132 PolarHBondContact O-N 2.76Å
117I98Very high95.4Very high0 Ų046 Ų460%024%0.241CC..EExtended strand (participates in β ladder)trans-119.4121.2-178.1-60.2-179.7000108.7V84 R85 L87 L97 S115 I119 L129 F130V84-I117 WeakPolarHBondContact CA-O 3.24Å; R85-I117 PolarHBondContact N-O 2.85Å; R85-I117 PolarHBondContact O-N 3.46Å; R85-I117 VanDerWaalsContact O-O 3.09Å; L87-I117 HydrophobicContact CD1-CD1 4.01Å; L87-I117 HydrophobicContact CG-CD1 4.16Å; L97-I117 HydrophobicContact CB-CD1 4.03Å; L97-I117 HydrophobicContact CD2-CD1 3.82Å; L97-I117 HydrophobicContact CG-CD1 4.13Å; S115-I117 PolarHBondContact O-N 2.86Å; I117-I119 HydrophobicContact CG2-CG1 4.09Å; I117-L129 HydrophobicContact CG2-CB 3.89Å; I117-L129 HydrophobicContact CG2-CD2 3.94Å; I117-F130 CarbonylContact C-O 3.6Å; I117-F130 WeakPolarHBondContact CA-O 3.27Å
118E97.3Very high95.3Very high39 Ų3945.7 Ų45.718%0.18224%0.236CC..EExtended strand (participates in β ladder)trans-77.7121.3164.2178.9179.1132.100108.3K82 V84 S120 F130 V132K82-E118 HydrophobicContact CB-CG 4.49Å; K82-E118 WeakPolarHBondContact CD-OE1 3.36Å; K82-E118 WeakPolarHBondContact CE-OE1 3.48Å; K82-E118 IonicContact NZ-OE1 2.76Å; K82-E118 PolarHBondContact NZ-OE1 2.78Å; V84-E118 HydrophobicContact CG2-CB 4.17Å; V84-E118 HydrophobicContact CG2-CG 4.4Å; E118-S120 PolarHBondContact OE1-OG 3.16Å; E118-F130 HydrophobicContact CB-CB 4.28Å; E118-F130 HydrophobicContact CB-CD1 4.48Å; E118-F130 PolarHBondContact N-O 2.73Å; E118-F130 PolarHBondContact O-N 2.89Å; E118-V132 HydrophobicContact CB-CG2 3.98Å
119I96.9Very high95.4Very high2 Ų244.5 Ų44.51%0.0123%0.229CC..EExtended strand (participates in β ladder)trans-106.1115.9177.7-50.1170.9000106.7R83 R85 L87 I117 I127 S128 L129R83-I119 HydrophobicContact CG-CB 3.71Å; R83-I119 HydrophobicContact CG-CD1 4.32Å; R83-I119 HydrophobicContact CG-CG1 4.4Å; R83-I119 HydrophobicContact CG-CG2 4.41Å; R83-I119 VanDerWaalsContact CZ-CD1 3.44Å; R83-I119 PolarHBondContact N-O 2.81Å; R83-I119 PolarHBondContact O-N 2.8Å; R85-I119 HydrophobicContact CB-CD1 4.13Å; R85-I119 HydrophobicContact CG-CD1 4.49Å; L87-I119 HydrophobicContact CD2-CD1 3.88Å; I117-I119 HydrophobicContact CG2-CG1 4.09Å; I119-I127 HydrophobicContact CG2-CB 3.97Å; I119-I127 HydrophobicContact CG2-CD1 3.56Å; I119-I127 HydrophobicContact CG2-CG1 4.38Å; I119-I127 HydrophobicContact CG2-CG2 4.06Å; I119-S128 WeakPolarHBondContact CA-O 3.32Å; I119-L129 HydrophobicContact CB-CD2 4.3Å; I119-L129 HydrophobicContact CD1-CD2 4.3Å; I119-L129 HydrophobicContact CG1-CD2 3.69Å; I119-L129 HydrophobicContact CG2-CD2 4.04Å
120S95.1Very high95.5Very high13 Ų1341 Ų419%0.09121%0.212CC..EExtended strand (participates in β ladder)trans-116.7132.1-179.5-600000109.6E118 I127 S128E118-S120 PolarHBondContact OE1-OG 3.16Å; S120-I127 CarbonylContact O-C 3.5Å; S120-I127 VanDerWaalsContact O-CA 3.22Å; S120-I127 WeakPolarHBondContact O-CA 3.37Å; S120-S128 PolarHBondContact N-O 3.24Å; S120-S128 VanDerWaalsContact N-O 3.11Å; S120-S128 PolarHBondContact O-N 3.4Å
121T93.9Very high95.6Very high32 Ų3237.4 Ų37.420%0.19619%0.187CC..EExtended strand (participates in β ladder)trans-73.5127.3173.123.40000110.2L78 Q79 I81 I127L78-T121 WeakPolarHBondContact O-CB 3.34Å; L78-T121 PolarHBondContact O-OG1 2.8Å; Q79-T121 WeakPolarHBondContact CA-O 3.33Å; I81-T121 PolarHBondContact O-OG1 3.13Å; T121-I127 HydrophobicContact CG2-CG2 3.98Å
122V91.9Very high95.9Very high33 Ų3332.8 Ų32.820%0.217%0.167CC..EExtended strand (participates in β ladder)trans-102.5-38.1-179.7-179.90000110.2V126 F152 K157V122-V126 PolarHBondContact N-O 3.49Å; V122-F152 HydrophobicContact CG1-CZ 4.25Å; V122-F152 HydrophobicContact CG2-CZ 3.95Å; V122-K157 HydrophobicContact CG1-CD 4.28Å; V122-K157 HydrophobicContact CG1-CG 4.41Å
123D91.8Very high96.1Very high80 Ų8035.2 Ų35.243%0.42817%0.173SC..EExtended strand (participates in β ladder)trans-152.7176.7177.2-160.2-16.1000108.1G125 V126D123-G125 PolarHBondContact O-N 3.44Å; D123-V126 HydrophobicContact CB-CB 4.01Å; D123-V126 HydrophobicContact CB-CG2 4.29Å; D123-V126 PolarHBondContact N-O 2.91Å; D123-V126 PolarHBondContact O-N 2.81Å
124R90.6Very high96.2Very high218 Ų21834.1 Ų34.182%0.82317%0.166SC*.THydrogen-bonded Turntrans-58.1109.8179.7-174.1176.8178.7176.5-0.3111.2L78 V126L78-R124 HydrophobicContact CD1-CB 4.28Å; R124-V126 PolarHBondContact O-N 2.91Å
125G92.8Very high96.2Very high38 Ų3835.6 Ų35.639%0.39218%0.176SC..THydrogen-bonded Turntrans72.18.2-178.600000114.2D123 K159 E160D123-G125 PolarHBondContact O-N 3.44Å; G125-K159 CarbonylContact O-C 3.54Å; G125-K159 WeakPolarHBondContact O-CA 3.14Å; G125-E160 PolarHBondContact O-N 2.85Å
126V96.7Very high96.3Very high11 Ų1136.7 Ų36.77%0.06718%0.182CC..EExtended strand (participates in β ladder)trans-114.4130.2176.4-1750000108.9V122 D123 R124 K157 F158 F173V122-V126 PolarHBondContact N-O 3.49Å; D123-V126 HydrophobicContact CB-CB 4.01Å; D123-V126 HydrophobicContact CB-CG2 4.29Å; D123-V126 PolarHBondContact N-O 2.91Å; D123-V126 PolarHBondContact O-N 2.81Å; R124-V126 PolarHBondContact O-N 2.91Å; V126-K157 HydrophobicContact CG1-CB 3.84Å; V126-K157 HydrophobicContact CG1-CG 4.45Å; V126-F158 CarbonylContact C-O 3.58Å; V126-F158 WeakPolarHBondContact CA-O 3.35Å; V126-F173 HydrophobicContact CG1-CD2 4Å; V126-F173 HydrophobicContact CG1-CG 4.46Å; V126-F173 HydrophobicContact CG2-CD2 3.9Å; V126-F173 HydrophobicContact CG2-CE2 4.05Å
127I97.4Very high96.3Very high1 Ų138 Ų381%0.00519%0.187CC..EExtended strand (participates in β ladder)trans-125.1160.7-175.460.8161.2000111.2I119 S120 T121 L129 K157 F158 E160 Y170I119-I127 HydrophobicContact CG2-CB 3.97Å; I119-I127 HydrophobicContact CG2-CD1 3.56Å; I119-I127 HydrophobicContact CG2-CG1 4.38Å; I119-I127 HydrophobicContact CG2-CG2 4.06Å; S120-I127 CarbonylContact O-C 3.5Å; S120-I127 VanDerWaalsContact O-CA 3.22Å; S120-I127 WeakPolarHBondContact O-CA 3.37Å; T121-I127 HydrophobicContact CG2-CG2 3.98Å; I127-L129 HydrophobicContact CD1-CD2 3.6Å; I127-L129 HydrophobicContact CD1-CG 4.14Å; I127-K157 WeakPolarHBondContact O-CA 3.44Å; I127-F158 HydrophobicContact CG1-CB 4.34Å; I127-F158 WeakPolarHBondContact CG1-O 3.27Å; I127-F158 PolarHBondContact N-O 2.75Å; I127-F158 PolarHBondContact O-N 3.18Å; I127-E160 HydrophobicContact CD1-CB 4.15Å; I127-E160 HydrophobicContact CG1-CB 4.25Å; I127-E160 HydrophobicContact CG2-CB 4.43Å; I127-Y170 HydrophobicContact CD1-CD1 3.64Å; I127-Y170 HydrophobicContact CD1-CE1 3.38Å; I127-Y170 HydrophobicContact CG1-CD1 4.46Å
128S97.8Very high96.4Very high7 Ų738 Ų385%0.04919%0.187CC..EExtended strand (participates in β ladder)trans-107.7149.8158.868.10000109.4I119 S120I119-S128 WeakPolarHBondContact CA-O 3.32Å; S120-S128 PolarHBondContact N-O 3.24Å; S120-S128 VanDerWaalsContact N-O 3.11Å; S120-S128 PolarHBondContact O-N 3.4Å
129L98.5Very high96.4Very high0 Ų036.1 Ų36.10%018%0.178CC..EExtended strand (participates in β ladder)trans-117.4116.1176.4-62.3175.7000107.8L87 I117 I119 I127 F137 V138 F158 I180L87-L129 HydrophobicContact CD1-CD1 3.97Å; L87-L129 HydrophobicContact CD1-CD2 3.96Å; I117-L129 HydrophobicContact CG2-CB 3.89Å; I117-L129 HydrophobicContact CG2-CD2 3.94Å; I119-L129 HydrophobicContact CB-CD2 4.3Å; I119-L129 HydrophobicContact CD1-CD2 4.3Å; I119-L129 HydrophobicContact CG1-CD2 3.69Å; I119-L129 HydrophobicContact CG2-CD2 4.04Å; I127-L129 HydrophobicContact CD1-CD2 3.6Å; I127-L129 HydrophobicContact CD1-CG 4.14Å; L129-F137 CarbonylContact O-C 3.44Å; L129-F137 WeakPolarHBondContact O-CA 3.22Å; L129-V138 HydrophobicContact CB-CB 3.94Å; L129-V138 HydrophobicContact CB-CG2 3.89Å; L129-V138 PolarHBondContact O-N 3.03Å; L129-F158 HydrophobicContact CD1-CD2 4.33Å; L129-F158 HydrophobicContact CG-CD2 4.47Å; L129-I180 HydrophobicContact CD1-CD1 3.63Å
130F98.3Very high96.5Very high28 Ų2836.1 Ų36.112%0.12318%0.178CC..EExtended strand (participates in β ladder)trans-117.5119.5-176.5-175.8-107.9000110.9I117 E118 V132 Q135 F137I117-F130 CarbonylContact C-O 3.6Å; I117-F130 WeakPolarHBondContact CA-O 3.27Å; E118-F130 HydrophobicContact CB-CB 4.28Å; E118-F130 HydrophobicContact CB-CD1 4.48Å; E118-F130 PolarHBondContact N-O 2.73Å; E118-F130 PolarHBondContact O-N 2.89Å; F130-V132 PolarHBondContact O-N 3.19Å; F130-V132 VanDerWaalsContact O-N 3.16Å; F130-Q135 VanDerWaalsContact CZ-CA 3.41Å; F130-Q135 HydrophobicContact CZ-CB 4Å; F130-Q135 VanDerWaalsContact CZ-OE1 3.32Å; F130-F137 HydrophobicContact CB-CD1 4.08Å; F130-F137 HydrophobicContact CB-CE1 4.06Å; F130-F137 AromaticContact CD2-CD1 3.68Å; F130-F137 HydrophobicContact CD2-CD1 3.68Å; F130-F137 HydrophobicContact CD2-CD2 4.05Å; F130-F137 AromaticContact CD2-CE1 3.61Å; F130-F137 HydrophobicContact CD2-CE1 3.61Å; F130-F137 AromaticContact CD2-CE2 3.98Å; F130-F137 HydrophobicContact CD2-CE2 3.98Å; F130-F137 AromaticContact CD2-CG 3.9Å; F130-F137 HydrophobicContact CD2-CG 3.9Å; F130-F137 AromaticContact CD2-CZ 3.76Å; F130-F137 HydrophobicContact CD2-CZ 3.76Å; F130-F137 HydrophobicContact CE2-CD2 4.27Å; F130-F137 HydrophobicContact CE2-CE1 4.41Å; F130-F137 HydrophobicContact CE2-CE2 4.04Å; F130-F137 HydrophobicContact CE2-CZ 4.11Å; F130-F137 HydrophobicContact CG-CD1 4.35Å; F130-F137 HydrophobicContact CG-CE1 4.17Å
131G98.2Very high96.7Very high1 Ų137.3 Ų37.31%0.0118%0.184CC..EExtended strand (participates in β ladder)trans-70106.9175.100000110.2R133 S134 Q135 L136G131-R133 VanDerWaalsContact C-N 3.28Å; G131-R133 PolarHBondContact O-N 2.79Å; G131-S134 PolarHBondContact O-N 3.39Å; G131-S134 PolarHBondContact O-OG 2.89Å; G131-Q135 WeakPolarHBondContact O-CA 3.35Å; G131-Q135 PolarHBondContact O-N 2.97Å; G131-L136 PolarHBondContact N-O 3.44Å
132V96.8Very high96.9Very high11 Ų1139.3 Ų39.37%0.06720%0.199CC..THydrogen-bonded Turntrans-58.7-39.8-172.4172.70000112F57 V84 L116 E118 F130 Q135F57-V132 HydrophobicContact CE1-CG1 4.22Å; F57-V132 HydrophobicContact CZ-CG1 3.63Å; V84-V132 HydrophobicContact CG1-CG2 4.24Å; L116-V132 HydrophobicContact CB-CB 4.2Å; L116-V132 HydrophobicContact CB-CG2 4.31Å; L116-V132 PolarHBondContact O-N 2.76Å; E118-V132 HydrophobicContact CB-CG2 3.98Å; F130-V132 PolarHBondContact O-N 3.19Å; F130-V132 VanDerWaalsContact O-N 3.16Å; V132-Q135 PolarHBondContact O-NE2 3.44Å
133R97.3Very high97.2Very high93 Ų9346 Ų4635%0.35122%0.221SC..THydrogen-bonded Turntrans-86.5-34.9-176.7-59-63.2-79171.6-12113.6W53 P113 Y114 G131W53-R133 VanDerWaalsContact CZ2-NH1 3.28Å; P113-R133 HydrophobicContact CB-CG 3.64Å; P113-R133 WeakPolarHBondContact O-CG 2.86Å; Y114-R133 HydrophobicContact CD1-CB 3.71Å; Y114-R133 HydrophobicContact CE1-CB 3.96Å; G131-R133 VanDerWaalsContact C-N 3.28Å; G131-R133 PolarHBondContact O-N 2.79Å
134S97.9Very high97.5Very high17 Ų1742.2 Ų42.212%0.11920%0.2CC..THydrogen-bonded Turntrans-80.8-18.3177.244.80000112.9V99 G131 L136V99-S134 WeakPolarHBondContact CG1-OG 3.38Å; V99-S134 VanDerWaalsContact O-CB 3.26Å; V99-S134 WeakPolarHBondContact O-CB 3.29Å; V99-S134 PolarHBondContact O-OG 2.98Å; G131-S134 PolarHBondContact O-N 3.39Å; G131-S134 PolarHBondContact O-OG 2.89Å; S134-L136 PolarHBondContact O-N 3.04Å
135Q98.2Very high97.8Very high113 Ų11338.6 Ų38.653%0.52819%0.187SC..THydrogen-bonded Turntrans58.536.4-173.8-60.4-72.7-45.900112.4F130 G131 V132F130-Q135 VanDerWaalsContact CZ-CA 3.41Å; F130-Q135 HydrophobicContact CZ-CB 4Å; F130-Q135 VanDerWaalsContact CZ-OE1 3.32Å; G131-Q135 WeakPolarHBondContact O-CA 3.35Å; G131-Q135 PolarHBondContact O-N 2.97Å; V132-Q135 PolarHBondContact O-NE2 3.44Å
136L98.6Very high98.1Very high23 Ų2337.7 Ų37.712%0.1217%0.173CC..EExtended strand (participates in β ladder)trans-123.5137.9-178.8-61.5177.6000111V99 L100 G131 S134 T149V99-L136 HydrophobicContact CG1-CB 3.97Å; L100-L136 WeakPolarHBondContact O-CD1 3.37Å; G131-L136 PolarHBondContact N-O 3.44Å; S134-L136 PolarHBondContact O-N 3.04Å; L136-T149 CarbonylContact C-O 3.56Å
137F98.8Very high98.2Very high38 Ų3840 Ų4017%0.16718%0.18CC..EExtended strand (participates in β ladder)trans-73.1139.5165.6-65.3-78.6000110.4L129 F130 G148 T149 F152 C156L129-F137 CarbonylContact O-C 3.44Å; L129-F137 WeakPolarHBondContact O-CA 3.22Å; F130-F137 HydrophobicContact CB-CD1 4.08Å; F130-F137 HydrophobicContact CB-CE1 4.06Å; F130-F137 AromaticContact CD2-CD1 3.68Å; F130-F137 HydrophobicContact CD2-CD1 3.68Å; F130-F137 HydrophobicContact CD2-CD2 4.05Å; F130-F137 AromaticContact CD2-CE1 3.61Å; F130-F137 HydrophobicContact CD2-CE1 3.61Å; F130-F137 AromaticContact CD2-CE2 3.98Å; F130-F137 HydrophobicContact CD2-CE2 3.98Å; F130-F137 AromaticContact CD2-CG 3.9Å; F130-F137 HydrophobicContact CD2-CG 3.9Å; F130-F137 AromaticContact CD2-CZ 3.76Å; F130-F137 HydrophobicContact CD2-CZ 3.76Å; F130-F137 HydrophobicContact CE2-CD2 4.27Å; F130-F137 HydrophobicContact CE2-CE1 4.41Å; F130-F137 HydrophobicContact CE2-CE2 4.04Å; F130-F137 HydrophobicContact CE2-CZ 4.11Å; F130-F137 HydrophobicContact CG-CD1 4.35Å; F130-F137 HydrophobicContact CG-CE1 4.17Å; F137-G148 CarbonylContact O-C 3.5Å; F137-G148 VanDerWaalsContact O-CA 3.28Å; F137-G148 WeakPolarHBondContact O-CA 3.48Å; F137-T149 HydrophobicContact CB-CG2 4.33Å; F137-T149 PolarHBondContact N-O 2.77Å; F137-T149 PolarHBondContact O-N 2.81Å; F137-F152 AromaticContact CD1-CD2 3.88Å; F137-F152 HydrophobicContact CD1-CD2 3.88Å; F137-F152 HydrophobicContact CD1-CE2 4.44Å; F137-F152 HydrophobicContact CD2-CB 4.28Å; F137-F152 HydrophobicContact CD2-CD2 4.38Å; F137-F152 AromaticContact CE1-CD2 3.83Å; F137-F152 HydrophobicContact CE1-CD2 3.83Å; F137-F152 HydrophobicContact CE1-CE2 4.44Å; F137-F152 HydrophobicContact CE2-CB 3.93Å; F137-F152 HydrophobicContact CE2-CD2 4.34Å; F137-F152 HydrophobicContact CG-CD2 4.16Å; F137-F152 HydrophobicContact CZ-CB 4.21Å; F137-F152 HydrophobicContact CZ-CD2 4.07Å; F137-F152 HydrophobicContact CZ-CG 4.46Å; F137-C156 HydrophobicContact CB-CB 4.12Å
138V98.8Very high98.3Very high0 Ų040.6 Ų40.60%019%0.187CC..EExtended strand (participates in β ladder)trans-69.6131.5162.1178.10000107.7V99 I105 L129 L146 C156 F158 I180V99-V138 HydrophobicContact CG2-CG2 3.59Å; I105-V138 HydrophobicContact CD1-CB 4.1Å; I105-V138 HydrophobicContact CD1-CG1 3.72Å; I105-V138 HydrophobicContact CD1-CG2 3.98Å; L129-V138 HydrophobicContact CB-CB 3.94Å; L129-V138 HydrophobicContact CB-CG2 3.89Å; L129-V138 PolarHBondContact O-N 3.03Å; V138-L146 HydrophobicContact CG1-CD2 4.32Å; V138-C156 WeakPolarHBondContact O-CA 3.37Å; V138-F158 HydrophobicContact CB-CE2 4.34Å; V138-F158 HydrophobicContact CG1-CE2 4.06Å; V138-F158 HydrophobicContact CG1-CZ 3.98Å; V138-F158 WeakPolarHBondContact O-CE2 3.19Å; V138-I180 HydrophobicContact CG1-CD1 4.27Å
139A98.7Very high98.3Very high0 Ų041.3 Ų41.30%019%0.191CC..EExtended strand (participates in β ladder)trans-135.4157.2175.200000110.8L146 Y147 T149 E155A139-L146 VanDerWaalsContact O-CA 3.29Å; A139-L146 WeakPolarHBondContact O-CA 3.35Å; A139-Y147 HydrophobicContact CB-CD1 4.25Å; A139-Y147 HydrophobicContact CB-CD2 4.36Å; A139-Y147 HydrophobicContact CB-CE1 3.67Å; A139-Y147 HydrophobicContact CB-CE2 3.82Å; A139-Y147 VanDerWaalsContact CB-CZ 3.42Å; A139-Y147 PolarHBondContact N-O 2.91Å; A139-Y147 PolarHBondContact O-N 3.18Å; A139-T149 HydrophobicContact CB-CG2 3.95Å; A139-E155 CarbonylContact C-O 3.6Å; A139-E155 VanDerWaalsContact CA-O 3.25Å; A139-E155 WeakPolarHBondContact CA-O 3.37Å; A139-E155 HydrophobicContact CB-CB 4.33Å
140M98.8Very high98.2Very high1 Ų145.3 Ų45.31%0.00522%0.219CC..EExtended strand (participates in β ladder)trans-128.2126.4175.7-170.4-177.3-66.400110.7R145 L146 E155 F158 Y175 F178 I180M140-R145 WeakPolarHBondContact CA-O 3.01Å; M140-L146 HydrophobicContact CB-CD2 3.84Å; M140-L146 HydrophobicContact CE-CD2 3.47Å; M140-L146 VanDerWaalsContact CE-CD2 3.47Å; M140-L146 HydrophobicContact CE-CG 4.36Å; M140-L146 HydrophobicContact CG-CD2 4.06Å; M140-E155 PolarHBondContact N-O 2.89Å; M140-E155 WeakPolarHBondContact O-CB 3.44Å; M140-F158 HydrophobicContact CB-CE1 4.03Å; M140-F158 HydrophobicContact CB-CZ 4.24Å; M140-F158 HydrophobicContact CE-CE1 4.33Å; M140-Y175 VanDerWaalsContact O-CE2 3.31Å; M140-Y175 WeakPolarHBondContact O-CE2 3.24Å; M140-F178 HydrophobicContact SD-CB 3.53Å; M140-F178 VanDerWaalsContact SD-CB 3.53Å; M140-F178 HydrophobicContact SD-CD2 4.02Å; M140-F178 HydrophobicContact SD-CG 4.32Å; M140-I180 HydrophobicContact CE-CG1 4.21Å
141N98.3Very high98.1Very high39 Ų3948.9 Ų48.921%0.20924%0.239CC..  trans-87.8173178.36726.3000113.4R143 G144 R145 Y147 E155N141-R143 PolarHBondContact O-N 2.86Å; N141-R143 WeakPolarHBondContact OD1-CB 3.38Å; N141-R143 PolarHBondContact OD1-N 2.74Å; N141-R143 VanDerWaalsContact OD1-N 3.08Å; N141-G144 WeakPolarHBondContact O-CA 3.41Å; N141-G144 PolarHBondContact O-N 2.85Å; N141-G144 PolarHBondContact OD1-N 2.69Å; N141-R145 PolarHBondContact N-O 3.03Å; N141-R145 VanDerWaalsContact N-O 3.11Å; N141-R145 WeakPolarHBondContact OD1-CB 3.16Å; N141-R145 PolarHBondContact OD1-N 3.29Å; N141-Y147 HydrophobicContact CB-CD1 4.42Å; N141-Y147 HydrophobicContact CB-CE1 3.89Å; N141-E155 WeakPolarHBondContact CA-OE1 3.1Å
142S98.3Very high98.1Very high74 Ų7453.5 Ų53.552%0.51726%0.259SS..THydrogen-bonded Turntrans-57.8-18.6178.459.80000115.3G144 Y175S142-G144 VanDerWaalsContact C-N 3.29Å; S142-Y175 VanDerWaalsContact CA-CE1 3.49Å; S142-Y175 WeakPolarHBondContact CB-OH 3.35Å; S142-Y175 VanDerWaalsContact N-CE2 3.29Å; S142-Y175 VanDerWaalsContact N-CZ 3.26Å; S142-Y175 PolarHBondContact N-OH 3.07Å
143R98.1Very high98.1Very high173 Ų17358.1 Ų58.165%0.65328%0.278SS*.THydrogen-bonded Turntrans-89.24.3174.6-59.3-177.2-179.2-178.50.3112.6N141 R145N141-R143 PolarHBondContact O-N 2.86Å; N141-R143 WeakPolarHBondContact OD1-CB 3.38Å; N141-R143 PolarHBondContact OD1-N 2.74Å; N141-R143 VanDerWaalsContact OD1-N 3.08Å; R143-R145 VanDerWaalsContact C-N 3.3Å; R143-R145 HydrophobicContact CB-CG 4.45Å; R143-R145 PolarHBondContact O-N 2.71Å
144G97.9Very high98.1Very high0 Ų057.9 Ų57.90%028%0.284CS..SBendtrans69.422.1-175.800000113.6N141 S142 R190 G191N141-G144 WeakPolarHBondContact O-CA 3.41Å; N141-G144 PolarHBondContact O-N 2.85Å; N141-G144 PolarHBondContact OD1-N 2.69Å; S142-G144 VanDerWaalsContact C-N 3.29Å; G144-R190 CarbonylContact O-C 3.49Å; G144-R190 VanDerWaalsContact O-CA 3.29Å; G144-R190 WeakPolarHBondContact O-CA 3.44Å; G144-G191 PolarHBondContact O-N 3.34Å
145R98.3Very high98.1Very high142 Ų14259 Ų5954%0.53629%0.288SS..  trans-91.7130.8176.8-62.9176.364.6155.8-1.1109.4M140 N141 R143M140-R145 WeakPolarHBondContact CA-O 3.01Å; N141-R145 PolarHBondContact N-O 3.03Å; N141-R145 VanDerWaalsContact N-O 3.11Å; N141-R145 WeakPolarHBondContact OD1-CB 3.16Å; N141-R145 PolarHBondContact OD1-N 3.29Å; R143-R145 VanDerWaalsContact C-N 3.3Å; R143-R145 HydrophobicContact CB-CG 4.45Å; R143-R145 PolarHBondContact O-N 2.71Å
146L98.6Very high98.1Very high19 Ų1953.7 Ų53.710%0.09926%0.262CS..EExtended strand (participates in β ladder)trans-77.2142.4169-60.1178.5000110.7I105 V138 A139 M140 I180 V188I105-L146 HydrophobicContact CB-CB 4.25Å; I105-L146 HydrophobicContact CD1-CB 4.06Å; I105-L146 HydrophobicContact CG2-CB 4.36Å; I105-L146 HydrophobicContact CG2-CD1 4.25Å; V138-L146 HydrophobicContact CG1-CD2 4.32Å; A139-L146 VanDerWaalsContact O-CA 3.29Å; A139-L146 WeakPolarHBondContact O-CA 3.35Å; M140-L146 HydrophobicContact CB-CD2 3.84Å; M140-L146 HydrophobicContact CE-CD2 3.47Å; M140-L146 VanDerWaalsContact CE-CD2 3.47Å; M140-L146 HydrophobicContact CE-CG 4.36Å; M140-L146 HydrophobicContact CG-CD2 4.06Å; L146-I180 HydrophobicContact CD1-CB 4.43Å; L146-I180 HydrophobicContact CD1-CG1 4.42Å; L146-I180 HydrophobicContact CD1-CG2 3.84Å; L146-I180 HydrophobicContact CD2-CG1 4.15Å; L146-V188 HydrophobicContact CB-CG1 3.95Å; L146-V188 HydrophobicContact CD1-CG1 3.62Å; L146-V188 HydrophobicContact CD1-CG2 4.22Å; L146-V188 HydrophobicContact CG-CG1 3.8Å
147Y98.7Very high98.1Very high59 Ų5954.6 Ų54.623%0.23127%0.266CS..EExtended strand (participates in β ladder)trans-153157.6174.266.6-78.1000110I105 A139 N141 T149 E155I105-Y147 VanDerWaalsContact CD1-C 3.45Å; I105-Y147 WeakPolarHBondContact CD1-O 3.4Å; A139-Y147 HydrophobicContact CB-CD1 4.25Å; A139-Y147 HydrophobicContact CB-CD2 4.36Å; A139-Y147 HydrophobicContact CB-CE1 3.67Å; A139-Y147 HydrophobicContact CB-CE2 3.82Å; A139-Y147 VanDerWaalsContact CB-CZ 3.42Å; A139-Y147 PolarHBondContact N-O 2.91Å; A139-Y147 PolarHBondContact O-N 3.18Å; N141-Y147 HydrophobicContact CB-CD1 4.42Å; N141-Y147 HydrophobicContact CB-CE1 3.89Å; Y147-T149 HydrophobicContact CE2-CG2 4.16Å; Y147-E155 PolarHBondContact OH-OE2 2.88Å
148G98.6Very high98.1Very high14 Ų1452.8 Ų52.814%0.14426%0.258CS..EExtended strand (participates in β ladder)trans-90.2141173.200000111.2G103 F137G103-G148 PolarHBondContact O-N 3.39Å; F137-G148 CarbonylContact O-C 3.5Å; F137-G148 VanDerWaalsContact O-CA 3.28Å; F137-G148 WeakPolarHBondContact O-CA 3.48Å
149T98.5Very high98.1Very high23 Ų2357.4 Ų57.414%0.14128%0.278CS..EExtended strand (participates in β ladder)trans-144.4144.7174.8-1730000111.8L136 F137 A139 Y147 L151L136-T149 CarbonylContact C-O 3.56Å; F137-T149 HydrophobicContact CB-CG2 4.33Å; F137-T149 PolarHBondContact N-O 2.77Å; F137-T149 PolarHBondContact O-N 2.81Å; A139-T149 HydrophobicContact CB-CG2 3.95Å; Y147-T149 HydrophobicContact CE2-CG2 4.16Å; T149-L151 VanDerWaalsContact C-N 3.31Å; T149-L151 VanDerWaalsContact CG2-O 3.28Å; T149-L151 WeakPolarHBondContact CG2-O 3.38Å; T149-L151 PolarHBondContact OG1-N 2.97Å
150S97.2Very high98Very high84 Ų8459.6 Ų59.659%0.58729%0.288SS*.SBendtrans-78.5-18173.952.90000112.8
151L96.6Very high98Very high103 Ų10362.1 Ų62.154%0.53930%0.304SS..SBendtrans-95.5122.9-177.4-63.1177.6000110.4T149 K153T149-L151 VanDerWaalsContact C-N 3.31Å; T149-L151 VanDerWaalsContact CG2-O 3.28Å; T149-L151 WeakPolarHBondContact CG2-O 3.38Å; T149-L151 PolarHBondContact OG1-N 2.97Å; L151-K153 PolarHBondContact O-N 3.05Å
152F96.7Very high98Very high97 Ų9765.8 Ų65.843%0.42532%0.322SS..  trans-73.9121.7174.3-171.5-111.5000110.7V122 F137 C156 K157V122-F152 HydrophobicContact CG1-CZ 4.25Å; V122-F152 HydrophobicContact CG2-CZ 3.95Å; F137-F152 AromaticContact CD1-CD2 3.88Å; F137-F152 HydrophobicContact CD1-CD2 3.88Å; F137-F152 HydrophobicContact CD1-CE2 4.44Å; F137-F152 HydrophobicContact CD2-CB 4.28Å; F137-F152 HydrophobicContact CD2-CD2 4.38Å; F137-F152 AromaticContact CE1-CD2 3.83Å; F137-F152 HydrophobicContact CE1-CD2 3.83Å; F137-F152 HydrophobicContact CE1-CE2 4.44Å; F137-F152 HydrophobicContact CE2-CB 3.93Å; F137-F152 HydrophobicContact CE2-CD2 4.34Å; F137-F152 HydrophobicContact CG-CD2 4.16Å; F137-F152 HydrophobicContact CZ-CB 4.21Å; F137-F152 HydrophobicContact CZ-CD2 4.07Å; F137-F152 HydrophobicContact CZ-CG 4.46Å; F152-C156 HydrophobicContact CD2-CB 3.78Å; F152-C156 HydrophobicContact CE2-CB 3.77Å; F152-K157 HydrophobicContact CZ-CG 4.03Å
153K96.3Very high97.9Very high109 Ų10963 Ų6347%0.47430%0.302SS..  trans-136.9172.3-179.3-61.4-177.6-176.9-1770109.7L151 E155 C156L151-K153 PolarHBondContact O-N 3.05Å; K153-E155 PolarHBondContact O-N 2.91Å; K153-C156 VanDerWaalsContact O-CB 3.25Å; K153-C156 WeakPolarHBondContact O-CB 3.39Å; K153-C156 PolarHBondContact O-N 3.43Å
154D97.6Very high97.9Very high87 Ų8761.3 Ų61.347%0.46531%0.313SS..G310 helixtrans-61.5-28.3176-69-31.6000113.1C156 K157 V174D154-C156 PolarHBondContact O-N 2.91Å; D154-C156 VanDerWaalsContact O-N 3.16Å; D154-K157 WeakPolarHBondContact O-CB 3.26Å; D154-K157 PolarHBondContact O-N 3.1Å; D154-K157 VanDerWaalsContact OD1-CE 3.29Å; D154-K157 WeakPolarHBondContact OD1-CE 3.34Å; D154-K157 IonicContact OD1-NZ 2.7Å; D154-K157 PolarHBondContact OD1-NZ 3.05Å; D154-V174 HydrophobicContact CB-CG2 3.55Å
155E98.4Very high97.8Very high42 Ų4264.8 Ų64.820%0.19633%0.332CS..G310 helixtrans-64.4-14.3173.1-67-169.4138.200113.6A139 M140 N141 Y147 K153 Y175A139-E155 CarbonylContact C-O 3.6Å; A139-E155 VanDerWaalsContact CA-O 3.25Å; A139-E155 WeakPolarHBondContact CA-O 3.37Å; A139-E155 HydrophobicContact CB-CB 4.33Å; M140-E155 PolarHBondContact N-O 2.89Å; M140-E155 WeakPolarHBondContact O-CB 3.44Å; N141-E155 WeakPolarHBondContact CA-OE1 3.1Å; Y147-E155 PolarHBondContact OH-OE2 2.88Å; K153-E155 PolarHBondContact O-N 2.91Å; E155-Y175 HydrophobicContact CG-CE2 4.05Å; E155-Y175 VanDerWaalsContact OE1-CE2 3.3Å; E155-Y175 WeakPolarHBondContact OE1-CE2 3.16Å; E155-Y175 PolarHBondContact OE1-OH 3.4Å
156C98.6Very high97.6Very high0 Ų063.8 Ų63.80%034%0.337CS..G310 helixtrans-89.5-3.4175.4-51.80000113.5F137 V138 F152 K153 D154 F158F137-C156 HydrophobicContact CB-CB 4.12Å; V138-C156 WeakPolarHBondContact O-CA 3.37Å; F152-C156 HydrophobicContact CD2-CB 3.78Å; F152-C156 HydrophobicContact CE2-CB 3.77Å; K153-C156 VanDerWaalsContact O-CB 3.25Å; K153-C156 WeakPolarHBondContact O-CB 3.39Å; K153-C156 PolarHBondContact O-N 3.43Å; D154-C156 PolarHBondContact O-N 2.91Å; D154-C156 VanDerWaalsContact O-N 3.16Å; C156-F158 WeakPolarHBondContact O-CD2 3.42Å; C156-F158 WeakPolarHBondContact O-CE2 3.4Å
157K98.5Very high97.6Very high43 Ų4365.2 Ų65.219%0.18734%0.341CS..EExtended strand (participates in β ladder)trans-93.4132.3-179-64.1176-176.4169.70109.8V122 V126 I127 F152 D154 F173V122-K157 HydrophobicContact CG1-CD 4.28Å; V122-K157 HydrophobicContact CG1-CG 4.41Å; V126-K157 HydrophobicContact CG1-CB 3.84Å; V126-K157 HydrophobicContact CG1-CG 4.45Å; I127-K157 WeakPolarHBondContact O-CA 3.44Å; F152-K157 HydrophobicContact CZ-CG 4.03Å; D154-K157 WeakPolarHBondContact O-CB 3.26Å; D154-K157 PolarHBondContact O-N 3.1Å; D154-K157 VanDerWaalsContact OD1-CE 3.29Å; D154-K157 WeakPolarHBondContact OD1-CE 3.34Å; D154-K157 IonicContact OD1-NZ 2.7Å; D154-K157 PolarHBondContact OD1-NZ 3.05Å; K157-F173 HydrophobicContact CB-CB 3.54Å; K157-F173 HydrophobicContact CB-CD1 4.29Å; K157-F173 HydrophobicContact CB-CG 3.99Å; K157-F173 HydrophobicContact CD-CD1 4.17Å; K157-F173 WeakPolarHBondContact O-CB 3.3Å; K157-F173 PolarHBondContact O-N 3.29Å
158F98.7Very high97.6Very high0 Ų063.5 Ų63.50%034%0.336CS..EExtended strand (participates in β ladder)trans-130.1135.9177.8-59.7-86.4000111.2V126 I127 L129 V138 M140 C156 E160 E171 I180V126-F158 CarbonylContact C-O 3.58Å; V126-F158 WeakPolarHBondContact CA-O 3.35Å; I127-F158 HydrophobicContact CG1-CB 4.34Å; I127-F158 WeakPolarHBondContact CG1-O 3.27Å; I127-F158 PolarHBondContact N-O 2.75Å; I127-F158 PolarHBondContact O-N 3.18Å; L129-F158 HydrophobicContact CD1-CD2 4.33Å; L129-F158 HydrophobicContact CG-CD2 4.47Å; V138-F158 HydrophobicContact CB-CE2 4.34Å; V138-F158 HydrophobicContact CG1-CE2 4.06Å; V138-F158 HydrophobicContact CG1-CZ 3.98Å; V138-F158 WeakPolarHBondContact O-CE2 3.19Å; M140-F158 HydrophobicContact CB-CE1 4.03Å; M140-F158 HydrophobicContact CB-CZ 4.24Å; M140-F158 HydrophobicContact CE-CE1 4.33Å; C156-F158 WeakPolarHBondContact O-CD2 3.42Å; C156-F158 WeakPolarHBondContact O-CE2 3.4Å; F158-E160 PolarHBondContact O-N 3.21Å; F158-E171 CarbonylContact C-O 3.39Å; F158-E171 WeakPolarHBondContact CA-O 3.28Å; F158-E171 WeakPolarHBondContact CB-O 3.41Å; F158-I180 HydrophobicContact CD1-CD1 3.87Å; F158-I180 HydrophobicContact CD1-CG1 4.02Å; F158-I180 HydrophobicContact CD2-CD1 4.45Å; F158-I180 HydrophobicContact CE1-CD1 3.82Å; F158-I180 HydrophobicContact CE1-CG1 3.87Å; F158-I180 HydrophobicContact CE2-CD1 4.4Å; F158-I180 HydrophobicContact CG-CD1 4.2Å; F158-I180 HydrophobicContact CZ-CD1 4.1Å
159K98.4Very high97.6Very high97 Ų9762.9 Ų62.942%0.42233%0.33SS..EExtended strand (participates in β ladder)trans-78.3118.7169.3-174.6-178.4176.8-175.70108.8G125 Y170 E171G125-K159 CarbonylContact O-C 3.54Å; G125-K159 WeakPolarHBondContact O-CA 3.14Å; K159-Y170 WeakPolarHBondContact O-CA 3.43Å; K159-E171 HydrophobicContact CB-CB 4.3Å; K159-E171 PolarHBondContact N-O 3.01Å; K159-E171 PolarHBondContact O-N 2.78Å
160E97.7Very high97.6Very high45 Ų4561.8 Ų61.821%0.2132%0.323CS..EExtended strand (participates in β ladder)trans-88.2126.1173.7-179.8170.4-127.300109.3R83 G125 I127 F158 N168 Y170R83-E160 IonicContact CZ-OE1 3.72Å; R83-E160 IonicContact CZ-OE2 3.85Å; R83-E160 IonicContact NH1-OE1 3.91Å; R83-E160 IonicContact NH2-OE1 2.69Å; R83-E160 PolarHBondContact NH2-OE1 3.03Å; R83-E160 IonicContact NH2-OE2 2.71Å; R83-E160 PolarHBondContact NH2-OE2 2.88Å; G125-E160 PolarHBondContact O-N 2.85Å; I127-E160 HydrophobicContact CD1-CB 4.15Å; I127-E160 HydrophobicContact CG1-CB 4.25Å; I127-E160 HydrophobicContact CG2-CB 4.43Å; F158-E160 PolarHBondContact O-N 3.21Å; E160-N168 HydrophobicContact CG-CB 4.24Å; E160-N168 PolarHBondContact OE1-ND2 3.08Å; E160-Y170 HydrophobicContact CB-CD1 4.05Å; E160-Y170 HydrophobicContact CB-CE1 3.84Å; E160-Y170 HydrophobicContact CG-CD1 4.18Å; E160-Y170 HydrophobicContact CG-CE1 3.56Å; E160-Y170 WeakPolarHBondContact OE1-CE1 3.3Å; E160-Y170 PolarHBondContact OE1-OH 2.81Å
161T97.9Very high97.7Very high55 Ų5558.8 Ų58.834%0.33730%0.3SS..EExtended strand (participates in β ladder)trans-129.6128177.9-57.40000110N168 A169T161-N168 CarbonylContact O-C 3.58Å; T161-N168 WeakPolarHBondContact O-CA 3.47Å; T161-A169 PolarHBondContact N-O 3.22Å; T161-A169 PolarHBondContact O-N 3.2Å
162L97.9Very high97.8Very high115 Ų11553.9 Ų53.960%0.60227%0.274SS*.EExtended strand (participates in β ladder)trans-74.1125.3170.7-174.966.9000109.2N168L162-N168 VanDerWaalsContact CD1-OD1 3.28Å; L162-N168 WeakPolarHBondContact CD1-OD1 3.16Å
163L97.6Very high97.9Very high17 Ų1752.8 Ų52.89%0.08927%0.269CS..  trans-89.5161.6179-59.7178.7000111.1N165 N166 Y167 A169 T196 H202L163-N165 VanDerWaalsContact CB-OD1 3.3Å; L163-N165 WeakPolarHBondContact CB-OD1 3.43Å; L163-N165 PolarHBondContact O-N 2.97Å; L163-N166 PolarHBondContact O-N 3.03Å; L163-Y167 VanDerWaalsContact CB-O 3.25Å; L163-Y167 WeakPolarHBondContact CB-O 3.35Å; L163-Y167 WeakPolarHBondContact CG-O 3.41Å; L163-Y167 PolarHBondContact N-O 2.78Å; L163-A169 HydrophobicContact CD1-CB 4.05Å; L163-A169 HydrophobicContact CD2-CB 4Å; L163-A169 HydrophobicContact CG-CB 4.12Å; L163-T196 HydrophobicContact CD2-CG2 4.11Å; L163-H202 WeakPolarHBondContact CD1-CD2 3.44Å; L163-H202 WeakPolarHBondContact CD1-NE2 3.47Å
164P96.9Very high98Very high137 Ų13750.6 Ų50.689%0.8927%0.265SS*.THydrogen-bonded Turntrans-58.9-19.5179.5-26.535.6000115.3N166P164-N166 VanDerWaalsContact C-N 3.35Å
165N95.3Very high98Very high72 Ų7249.1 Ų49.139%0.38525%0.253SS..THydrogen-bonded Turntrans-93.613.5177.467.6-12000113.5L163 Y167 H202L163-N165 VanDerWaalsContact CB-OD1 3.3Å; L163-N165 WeakPolarHBondContact CB-OD1 3.43Å; L163-N165 PolarHBondContact O-N 2.97Å; N165-Y167 HydrophobicContact CB-CD2 4.48Å; N165-Y167 WeakPolarHBondContact O-CD2 3.01Å; N165-Y167 PolarHBondContact O-N 2.93Å; N165-Y167 PolarHBondContact OD1-N 3.3Å; N165-H202 PolarHBondContact ND2-CE1 2.9Å; N165-H202 PolarHBondContact ND2-ND1 3.37Å
166N95.9Very high97.9Very high121 Ų12153 Ų5365%0.64727%0.269SS*.SBendtrans65.117.9-178.9-57.1-17.5000115.3L163 P164L163-N166 PolarHBondContact O-N 3.03Å; P164-N166 VanDerWaalsContact C-N 3.35Å
167Y98.3Very high97.9Very high50 Ų5054.7 Ų54.720%0.19629%0.287CS..  trans-95.6159.3165.8-74.3-108.1000110.1N90 L163 N165 H202 L204N90-Y167 HydrophobicContact CB-CE1 4.3Å; L163-Y167 VanDerWaalsContact CB-O 3.25Å; L163-Y167 WeakPolarHBondContact CB-O 3.35Å; L163-Y167 WeakPolarHBondContact CG-O 3.41Å; L163-Y167 PolarHBondContact N-O 2.78Å; N165-Y167 HydrophobicContact CB-CD2 4.48Å; N165-Y167 WeakPolarHBondContact O-CD2 3.01Å; N165-Y167 PolarHBondContact O-N 2.93Å; N165-Y167 PolarHBondContact OD1-N 3.3Å; Y167-H202 HydrophobicContact CD1-CB 3.86Å; Y167-H202 HydrophobicContact CG-CB 3.9Å; Y167-L204 HydrophobicContact CD1-CB 3.9Å; Y167-L204 HydrophobicContact CE1-CB 3.73Å
168N98.3Very high97.9Very high22 Ų2254.7 Ų54.712%0.11829%0.287CS..EExtended strand (participates in β ladder)trans-97.3145.4172.1-66.4-15.1000110.7E160 T161 L162 Y170 F203E160-N168 HydrophobicContact CG-CB 4.24Å; E160-N168 PolarHBondContact OE1-ND2 3.08Å; T161-N168 CarbonylContact O-C 3.58Å; T161-N168 WeakPolarHBondContact O-CA 3.47Å; L162-N168 VanDerWaalsContact CD1-OD1 3.28Å; L162-N168 WeakPolarHBondContact CD1-OD1 3.16Å; N168-Y170 HydrophobicContact CB-CE1 4.5Å; N168-Y170 HydrophobicContact CB-CE2 4.34Å; N168-F203 PolarHBondContact N-O 2.85Å; N168-F203 PolarHBondContact O-N 3.3Å
169A98.5Very high97.9Very high1 Ų156.4 Ų56.41%0.00829%0.293CS..EExtended strand (participates in β ladder)trans-111.9146.9163.700000110.1T161 L163 Y179 T196T161-A169 PolarHBondContact N-O 3.22Å; T161-A169 PolarHBondContact O-N 3.2Å; L163-A169 HydrophobicContact CD1-CB 4.05Å; L163-A169 HydrophobicContact CD2-CB 4Å; L163-A169 HydrophobicContact CG-CB 4.12Å; A169-Y179 HydrophobicContact CB-CD1 4.21Å; A169-Y179 HydrophobicContact CB-CE1 4.39Å; A169-T196 HydrophobicContact CB-CG2 4.06Å
170Y98.8Very high97.9Very high0 Ų051.8 Ų51.80%027%0.273CS..EExtended strand (participates in β ladder)trans-119.6105.7-179.1-60.1-69.8000109.8L87 I127 K159 E160 N168 Y179 I180 F203L87-Y170 HydrophobicContact CD1-CD2 4.45Å; L87-Y170 HydrophobicContact CD1-CE2 3.86Å; L87-Y170 HydrophobicContact CD2-CE2 3.99Å; L87-Y170 WeakPolarHBondContact CD2-OH 3.25Å; L87-Y170 HydrophobicContact CG-CE2 4.5Å; I127-Y170 HydrophobicContact CD1-CD1 3.64Å; I127-Y170 HydrophobicContact CD1-CE1 3.38Å; I127-Y170 HydrophobicContact CG1-CD1 4.46Å; K159-Y170 WeakPolarHBondContact O-CA 3.43Å; E160-Y170 HydrophobicContact CB-CD1 4.05Å; E160-Y170 HydrophobicContact CB-CE1 3.84Å; E160-Y170 HydrophobicContact CG-CD1 4.18Å; E160-Y170 HydrophobicContact CG-CE1 3.56Å; E160-Y170 WeakPolarHBondContact OE1-CE1 3.3Å; E160-Y170 PolarHBondContact OE1-OH 2.81Å; N168-Y170 HydrophobicContact CB-CE1 4.5Å; N168-Y170 HydrophobicContact CB-CE2 4.34Å; Y170-Y179 WeakPolarHBondContact O-CA 3.23Å; Y170-I180 HydrophobicContact CG-CD1 4.38Å; Y170-I180 PolarHBondContact O-N 2.76Å; Y170-F203 HydrophobicContact CD2-CB 4.3Å; Y170-F203 AromaticContact CD2-CD2 3.98Å; Y170-F203 HydrophobicContact CD2-CD2 3.98Å; Y170-F203 HydrophobicContact CD2-CG 4.31Å; Y170-F203 HydrophobicContact CE2-CB 3.73Å; Y170-F203 HydrophobicContact CE2-CD2 4.27Å; Y170-F203 HydrophobicContact CE2-CG 4.16Å
171E98.8Very high98Very high22 Ų2249.7 Ų49.710%0.10326%0.263CS..EExtended strand (participates in β ladder)trans-94.5139.1178.9-167.9-170.5173.900110.1F158 K159 F173 K176 G177 F178 Y179F158-E171 CarbonylContact C-O 3.39Å; F158-E171 WeakPolarHBondContact CA-O 3.28Å; F158-E171 WeakPolarHBondContact CB-O 3.41Å; K159-E171 HydrophobicContact CB-CB 4.3Å; K159-E171 PolarHBondContact N-O 3.01Å; K159-E171 PolarHBondContact O-N 2.78Å; E171-F173 PolarHBondContact O-N 2.98Å; E171-K176 WeakPolarHBondContact OE1-CA 3.3Å; E171-G177 PolarHBondContact OE1-N 3.07Å; E171-F178 CarbonylContact C-O 3.5Å; E171-F178 WeakPolarHBondContact CA-O 3.33Å; E171-Y179 HydrophobicContact CB-CD1 3.89Å; E171-Y179 HydrophobicContact CB-CE1 3.55Å; E171-Y179 HydrophobicContact CG-CD1 4.28Å; E171-Y179 HydrophobicContact CG-CE1 3.8Å; E171-Y179 HydrophobicContact CG-CE2 4.43Å
172S98.7Very high98Very high0 Ų047 Ų470%025%0.247CC..EExtended strand (participates in β ladder)trans-59132.91721780000110.6V174 Y175 F178S172-V174 PolarHBondContact OG-N 2.76Å; S172-Y175 WeakPolarHBondContact CB-O 3.43Å; S172-Y175 PolarHBondContact OG-N 2.92Å; S172-Y175 VanDerWaalsContact OG-N 3.15Å; S172-F178 PolarHBondContact N-O 2.85Å
173F98.3Very high98Very high73 Ų7343 Ų4332%0.3223%0.228SC..SBendtrans-66.2-40.2176.7-178.3-101.4000111.9V126 K157 E171 K176V126-F173 HydrophobicContact CG1-CD2 4Å; V126-F173 HydrophobicContact CG1-CG 4.46Å; V126-F173 HydrophobicContact CG2-CD2 3.9Å; V126-F173 HydrophobicContact CG2-CE2 4.05Å; K157-F173 HydrophobicContact CB-CB 3.54Å; K157-F173 HydrophobicContact CB-CD1 4.29Å; K157-F173 HydrophobicContact CB-CG 3.99Å; K157-F173 HydrophobicContact CD-CD1 4.17Å; K157-F173 WeakPolarHBondContact O-CB 3.3Å; K157-F173 PolarHBondContact O-N 3.29Å; E171-F173 PolarHBondContact O-N 2.98Å; F173-K176 VanDerWaalsContact O-CE 3.31Å; F173-K176 WeakPolarHBondContact O-CE 3.2Å; F173-K176 PolarHBondContact O-NZ 2.89Å
174V98.2Very high98Very high63 Ų6348.7 Ų48.738%0.38225%0.252SS..SBendtrans-80.2-46.8-178.9-178.60000111.3D154 S172D154-V174 HydrophobicContact CB-CG2 3.55Å; S172-V174 PolarHBondContact OG-N 2.76Å
175Y98.4Very high98Very high57 Ų5748.4 Ų48.422%0.22424%0.239CC..SBendtrans-102.886.2-174.4-51.3-68.2000110.7M140 S142 E155 S172 F178M140-Y175 VanDerWaalsContact O-CE2 3.31Å; M140-Y175 WeakPolarHBondContact O-CE2 3.24Å; S142-Y175 VanDerWaalsContact CA-CE1 3.49Å; S142-Y175 WeakPolarHBondContact CB-OH 3.35Å; S142-Y175 VanDerWaalsContact N-CE2 3.29Å; S142-Y175 VanDerWaalsContact N-CZ 3.26Å; S142-Y175 PolarHBondContact N-OH 3.07Å; E155-Y175 HydrophobicContact CG-CE2 4.05Å; E155-Y175 VanDerWaalsContact OE1-CE2 3.3Å; E155-Y175 WeakPolarHBondContact OE1-CE2 3.16Å; E155-Y175 PolarHBondContact OE1-OH 3.4Å; S172-Y175 WeakPolarHBondContact CB-O 3.43Å; S172-Y175 PolarHBondContact OG-N 2.92Å; S172-Y175 VanDerWaalsContact OG-N 3.15Å; Y175-F178 HydrophobicContact CG-CD2 4.27Å; Y175-F178 HydrophobicContact CG-CE2 4.36Å; Y175-F178 VanDerWaalsContact O-CB 3.29Å; Y175-F178 WeakPolarHBondContact O-CB 3.38Å; Y175-F178 PolarHBondContact O-N 3.3Å; Y175-F178 VanDerWaalsContact O-N 3.09Å
176K97.5Very high98Very high124 Ų12445.2 Ų45.254%0.53922%0.223SC..THydrogen-bonded Turntrans-57.1140.4-177.8-57.5-52.6-171.1-165.80112E171 F173 F178E171-K176 WeakPolarHBondContact OE1-CA 3.3Å; F173-K176 VanDerWaalsContact O-CE 3.31Å; F173-K176 WeakPolarHBondContact O-CE 3.2Å; F173-K176 PolarHBondContact O-NZ 2.89Å; K176-F178 PolarHBondContact O-N 2.82Å
177G97.8Very high98.1Very high35 Ų3548.2 Ų48.236%0.36123%0.225SC..THydrogen-bonded Turntrans76.51.8-174.800000114.7E171 Y179E171-G177 PolarHBondContact OE1-N 3.07Å; G177-Y179 VanDerWaalsContact O-CD2 3.26Å; G177-Y179 WeakPolarHBondContact O-CD2 3.4Å; G177-Y179 WeakPolarHBondContact O-CE2 3.43Å
178F98.6Very high98.1Very high42 Ų4247.9 Ų47.918%0.18423%0.228CC..  trans-96.4124.2175.7-69.120.8000110M140 E171 S172 Y175 K176 G191 N192M140-F178 HydrophobicContact SD-CB 3.53Å; M140-F178 VanDerWaalsContact SD-CB 3.53Å; M140-F178 HydrophobicContact SD-CD2 4.02Å; M140-F178 HydrophobicContact SD-CG 4.32Å; E171-F178 CarbonylContact C-O 3.5Å; E171-F178 WeakPolarHBondContact CA-O 3.33Å; S172-F178 PolarHBondContact N-O 2.85Å; Y175-F178 HydrophobicContact CG-CD2 4.27Å; Y175-F178 HydrophobicContact CG-CE2 4.36Å; Y175-F178 VanDerWaalsContact O-CB 3.29Å; Y175-F178 WeakPolarHBondContact O-CB 3.38Å; Y175-F178 PolarHBondContact O-N 3.3Å; Y175-F178 VanDerWaalsContact O-N 3.09Å; K176-F178 PolarHBondContact O-N 2.82Å; F178-G191 WeakPolarHBondContact CA-O 3.33Å; F178-N192 HydrophobicContact CD1-CB 3.86Å; F178-N192 HydrophobicContact CD2-CB 4.18Å; F178-N192 HydrophobicContact CE1-CB 3.46Å; F178-N192 VanDerWaalsContact CE1-CB 3.46Å; F178-N192 HydrophobicContact CE2-CB 3.81Å; F178-N192 HydrophobicContact CG-CB 4.22Å; F178-N192 HydrophobicContact CZ-CB 3.45Å; F178-N192 VanDerWaalsContact CZ-CB 3.45Å
179Y98.8Very high98.1Very high37 Ų3749.8 Ų49.815%0.14524%0.236CC..BIsolated β-bridgetrans-114.8144.6-174.5-65.3-89.7000112.8A169 Y170 E171 G177 G181 G191 A194 T196A169-Y179 HydrophobicContact CB-CD1 4.21Å; A169-Y179 HydrophobicContact CB-CE1 4.39Å; Y170-Y179 WeakPolarHBondContact O-CA 3.23Å; E171-Y179 HydrophobicContact CB-CD1 3.89Å; E171-Y179 HydrophobicContact CB-CE1 3.55Å; E171-Y179 HydrophobicContact CG-CD1 4.28Å; E171-Y179 HydrophobicContact CG-CE1 3.8Å; E171-Y179 HydrophobicContact CG-CE2 4.43Å; G177-Y179 VanDerWaalsContact O-CD2 3.26Å; G177-Y179 WeakPolarHBondContact O-CD2 3.4Å; G177-Y179 WeakPolarHBondContact O-CE2 3.43Å; Y179-G181 PolarHBondContact O-N 3.19Å; Y179-G191 PolarHBondContact N-O 2.9Å; Y179-G191 WeakPolarHBondContact O-CA 3.4Å; Y179-A194 VanDerWaalsContact CD2-O 3.27Å; Y179-A194 WeakPolarHBondContact CD2-O 3.35Å; Y179-T196 HydrophobicContact CD1-CG2 4.07Å; Y179-T196 HydrophobicContact CE1-CG2 3.46Å; Y179-T196 VanDerWaalsContact CE1-CG2 3.46Å; Y179-T196 HydrophobicContact CE2-CG2 4.25Å
180I98.8Very high98.1Very high0 Ų055.8 Ų55.80%026%0.258CS..  trans-60.2135.2163.8-59.9-172.4000107.5L97 L129 V138 M140 L146 F158 Y170 F203L97-I180 HydrophobicContact CD2-CG2 4.4Å; L129-I180 HydrophobicContact CD1-CD1 3.63Å; V138-I180 HydrophobicContact CG1-CD1 4.27Å; M140-I180 HydrophobicContact CE-CG1 4.21Å; L146-I180 HydrophobicContact CD1-CB 4.43Å; L146-I180 HydrophobicContact CD1-CG1 4.42Å; L146-I180 HydrophobicContact CD1-CG2 3.84Å; L146-I180 HydrophobicContact CD2-CG1 4.15Å; F158-I180 HydrophobicContact CD1-CD1 3.87Å; F158-I180 HydrophobicContact CD1-CG1 4.02Å; F158-I180 HydrophobicContact CD2-CD1 4.45Å; F158-I180 HydrophobicContact CE1-CD1 3.82Å; F158-I180 HydrophobicContact CE1-CG1 3.87Å; F158-I180 HydrophobicContact CE2-CD1 4.4Å; F158-I180 HydrophobicContact CG-CD1 4.2Å; F158-I180 HydrophobicContact CZ-CD1 4.1Å; Y170-I180 HydrophobicContact CG-CD1 4.38Å; Y170-I180 PolarHBondContact O-N 2.76Å; I180-F203 HydrophobicContact CB-CE2 4.29Å; I180-F203 HydrophobicContact CG2-CE2 3.79Å; I180-F203 HydrophobicContact CG2-CZ 3.75Å
181G98.3Very high98Very high0 Ų055.8 Ų55.80%026%0.258CS..  trans-159.4149174.800000114.7Y179 K189 V200Y179-G181 PolarHBondContact O-N 3.19Å; G181-K189 PolarHBondContact O-N 3.27Å; G181-V200 CarbonylContact C-O 3.59Å; G181-V200 WeakPolarHBondContact CA-O 3.32Å
182L98.4Very high98Very high0 Ų058.6 Ų58.60%027%0.274CS..BIsolated β-bridgetrans-115.8133176.7-65.9178.5000110.1C89 F95 L97 V188 V200 F203C89-L182 HydrophobicContact CB-CB 4.42Å; C89-L182 HydrophobicContact CB-CD1 4.12Å; F95-L182 HydrophobicContact CB-CD1 3.95Å; L97-L182 HydrophobicContact CD1-CD1 4.37Å; L97-L182 HydrophobicContact CD1-CD2 4.08Å; L97-L182 HydrophobicContact CD1-CG 4.4Å; L182-V188 HydrophobicContact CD2-CG2 4Å; L182-V200 PolarHBondContact N-O 2.98Å; L182-V200 WeakPolarHBondContact O-CB 3.24Å; L182-V200 WeakPolarHBondContact O-CG1 3.36Å; L182-F203 HydrophobicContact CD1-CE1 3.89Å; L182-F203 HydrophobicContact CD1-CZ 4.34Å; L182-F203 HydrophobicContact CG-CE1 4.11Å; L182-F203 HydrophobicContact CG-CZ 4.03Å
183S97.8Very high97.9Very high29 Ų2965 Ų6520%0.20330%0.301CS..  trans-71.8166.2172.264.70000111.5H185 G186 R187S183-H185 PolarHBondContact O-N 2.76Å; S183-G186 PolarHBondContact O-N 2.88Å; S183-R187 WeakPolarHBondContact CB-O 2.96Å; S183-R187 PolarHBondContact N-O 3.39Å; S183-R187 WeakPolarHBondContact OG-CB 3.44Å; S183-R187 PolarHBondContact OG-N 3.41Å; S183-R187 VanDerWaalsContact OG-N 3.1Å; S183-R187 PolarHBondContact OG-O 2.6Å
184K97.3Very high97.8Very high137 Ų13761.5 Ų61.560%0.59629%0.286SS*.THydrogen-bonded Turntrans-56.1-11.617369.8-179.6-175.4178.10115.3F95F95-K184 WeakPolarHBondContact CE2-O 3.28Å
185H97.3Very high97.7Very high131 Ų13161.7 Ų61.761%0.60629%0.288SS*.THydrogen-bonded Turntrans-109.214.8177.8-55.7-64.6000112.7S183 R187S183-H185 PolarHBondContact O-N 2.76Å; H185-R187 PolarHBondContact O-N 3.32Å
186G96.5Very high97.7Very high5 Ų561.8 Ų61.85%0.05229%0.294CS..SBendtrans72.45.3-179.400000114.7F95 G107 S183F95-G186 VanDerWaalsContact CZ-N 3.34Å; G107-G186 WeakPolarHBondContact CA-O 3.36Å; G107-G186 PolarHBondContact N-O 3.29Å; S183-G186 PolarHBondContact O-N 2.88Å
187R97.8Very high97.6Very high184 Ų18460.1 Ų60.169%0.69430%0.304SS*.PPolyproline II helixtrans-82.2139.9174.6-59.4-178.7178.1177.6-1.1110.5S183 H185 K189S183-R187 WeakPolarHBondContact CB-O 2.96Å; S183-R187 PolarHBondContact N-O 3.39Å; S183-R187 WeakPolarHBondContact OG-CB 3.44Å; S183-R187 PolarHBondContact OG-N 3.41Å; S183-R187 VanDerWaalsContact OG-N 3.1Å; S183-R187 PolarHBondContact OG-O 2.6Å; H185-R187 PolarHBondContact O-N 3.32Å; R187-K189 PolarHBondContact O-N 3.17Å
188V98Very high97.6Very high43 Ų4361.4 Ų61.426%0.26130%0.301SS..BIsolated β-bridgetrans-60.3133.1172.71720000110.7I105 L146 L182I105-V188 HydrophobicContact CB-CG2 4.29Å; I105-V188 HydrophobicContact CG2-CG2 3.92Å; I105-V188 WeakPolarHBondContact O-CG2 3.43Å; L146-V188 HydrophobicContact CB-CG1 3.95Å; L146-V188 HydrophobicContact CD1-CG1 3.62Å; L146-V188 HydrophobicContact CD1-CG2 4.22Å; L146-V188 HydrophobicContact CG-CG1 3.8Å; L182-V188 HydrophobicContact CD2-CG2 4Å
189K97.6Very high97.5Very high63 Ų6363.5 Ų63.527%0.27432%0.317SS..PPolyproline II helixtrans-88.7148.2171.6-162.9177.3176.191.50109.2G181 R187 G191 K193 A194 M198 V200G181-K189 PolarHBondContact O-N 3.27Å; R187-K189 PolarHBondContact O-N 3.17Å; K189-G191 PolarHBondContact O-N 3.21Å; K189-K193 WeakPolarHBondContact CE-O 3.47Å; K189-A194 HydrophobicContact CD-CB 4.07Å; K189-M198 HydrophobicContact CD-CE 4.48Å; K189-V200 HydrophobicContact CD-CG2 3.78Å
190R98.3Very high97.5Very high127 Ų12762.7 Ų62.748%0.47932%0.316SS..PPolyproline II helixtrans-66.2132172.5-62.8-168.9-177.6-158.73.6109.5G144 N192 K193 A194G144-R190 CarbonylContact O-C 3.49Å; G144-R190 VanDerWaalsContact O-CA 3.29Å; G144-R190 WeakPolarHBondContact O-CA 3.44Å; R190-N192 VanDerWaalsContact C-N 3.27Å; R190-N192 VanDerWaalsContact CB-OD1 3.27Å; R190-N192 WeakPolarHBondContact CB-OD1 3.22Å; R190-N192 PolarHBondContact O-N 2.8Å; R190-K193 HydrophobicContact CB-CG 4.4Å; R190-K193 WeakPolarHBondContact O-CA 3.39Å; R190-K193 PolarHBondContact O-N 2.9Å; R190-A194 PolarHBondContact O-N 2.98Å
191G97.8Very high97.5Very high0 Ų062.7 Ų62.70%032%0.316CS..G310 helixtrans-60.2-36.8-174.400000113.3G144 F178 Y179 K189 K193 A194G144-G191 PolarHBondContact O-N 3.34Å; F178-G191 WeakPolarHBondContact CA-O 3.33Å; Y179-G191 PolarHBondContact N-O 2.9Å; Y179-G191 WeakPolarHBondContact O-CA 3.4Å; K189-G191 PolarHBondContact O-N 3.21Å; G191-K193 PolarHBondContact O-N 3.44Å; G191-K193 VanDerWaalsContact O-N 3.1Å; G191-A194 PolarHBondContact O-N 3.07Å; G191-A194 VanDerWaalsContact O-N 3.12Å
192N97.7Very high97.5Very high80 Ų8063.6 Ų63.643%0.42832%0.321SS..G310 helixtrans-68.3-6175.174-33.6000114.9F178 R190F178-N192 HydrophobicContact CD1-CB 3.86Å; F178-N192 HydrophobicContact CD2-CB 4.18Å; F178-N192 HydrophobicContact CE1-CB 3.46Å; F178-N192 VanDerWaalsContact CE1-CB 3.46Å; F178-N192 HydrophobicContact CE2-CB 3.81Å; F178-N192 HydrophobicContact CG-CB 4.22Å; F178-N192 HydrophobicContact CZ-CB 3.45Å; F178-N192 VanDerWaalsContact CZ-CB 3.45Å; R190-N192 VanDerWaalsContact C-N 3.27Å; R190-N192 VanDerWaalsContact CB-OD1 3.27Å; R190-N192 WeakPolarHBondContact CB-OD1 3.22Å; R190-N192 PolarHBondContact O-N 2.8Å
193K97.5Very high97.5Very high134 Ų13463.6 Ų63.658%0.58332%0.321SS*.G310 helixtrans-114.35.1176.4-61.4-170.1177.4-167.40112.4K189 R190 G191K189-K193 WeakPolarHBondContact CE-O 3.47Å; R190-K193 HydrophobicContact CB-CG 4.4Å; R190-K193 WeakPolarHBondContact O-CA 3.39Å; R190-K193 PolarHBondContact O-N 2.9Å; G191-K193 PolarHBondContact O-N 3.44Å; G191-K193 VanDerWaalsContact O-N 3.1Å
194A96.1Very high97.5Very high0 Ų065.3 Ų65.30%033%0.327CS..  trans-114132-176.800000107.8Y179 K189 R190 G191 T201Y179-A194 VanDerWaalsContact CD2-O 3.27Å; Y179-A194 WeakPolarHBondContact CD2-O 3.35Å; K189-A194 HydrophobicContact CD-CB 4.07Å; R190-A194 PolarHBondContact O-N 2.98Å; G191-A194 PolarHBondContact O-N 3.07Å; G191-A194 VanDerWaalsContact O-N 3.12Å; A194-T201 HydrophobicContact CB-CG2 3.6Å
195T96.8Very high97.5Very high68 Ų6860.3 Ų60.342%0.41731%0.309SS..  trans-130.3159.4178.468.90000109.8A197 M198 T201T195-A197 PolarHBondContact O-N 3.49Å; T195-M198 WeakPolarHBondContact O-CB 3.49Å; T195-M198 PolarHBondContact O-N 3.02Å; T195-M198 WeakPolarHBondContact OG1-CG 3.44Å; T195-T201 WeakPolarHBondContact O-CG2 3.47Å; T195-T201 PolarHBondContact O-OG1 3.26Å
196T96.5Very high97.3Very high58 Ų5858.7 Ų58.736%0.35630%0.297SS..THydrogen-bonded Turntrans-62.9-20.7179.1520000113.7L163 A169 Y179 M198 H202L163-T196 HydrophobicContact CD2-CG2 4.11Å; A169-T196 HydrophobicContact CB-CG2 4.06Å; Y179-T196 HydrophobicContact CD1-CG2 4.07Å; Y179-T196 HydrophobicContact CE1-CG2 3.46Å; Y179-T196 VanDerWaalsContact CE1-CG2 3.46Å; Y179-T196 HydrophobicContact CE2-CG2 4.25Å; T196-M198 PolarHBondContact O-N 2.7Å; T196-H202 PolarHBondContact O-NE2 3.19Å
197A96.2Very high96.8Very high90 Ų9065.5 Ų65.574%0.74433%0.332SS*.THydrogen-bonded Turntrans-68.8-20.1171.700000112.6T195T195-A197 PolarHBondContact O-N 3.49Å
198M97.4Very high96.7Very high62 Ų6259.6 Ų59.631%0.30531%0.313SS..SBendtrans-94.6128.3-178.7-50.6176.372.300111.1K189 T195 T196 V200 T201 H202K189-M198 HydrophobicContact CD-CE 4.48Å; T195-M198 WeakPolarHBondContact O-CB 3.49Å; T195-M198 PolarHBondContact O-N 3.02Å; T195-M198 WeakPolarHBondContact OG1-CG 3.44Å; T196-M198 PolarHBondContact O-N 2.7Å; M198-V200 HydrophobicContact CB-CG2 3.65Å; M198-V200 HydrophobicContact CE-CG2 4Å; M198-V200 PolarHBondContact O-N 3.23Å; M198-V200 HydrophobicContact SD-CG2 4.29Å; M198-T201 PolarHBondContact O-N 3Å; M198-T201 PolarHBondContact O-OG1 3.06Å; M198-H202 PolarHBondContact O-CD2 3.22Å; M198-H202 PolarHBondContact O-NE2 3.25Å
199T97.3Very high96.7Very high85 Ų8560.4 Ų60.452%0.52132%0.316SS..G310 helixtrans-59.1-21.7177.5560000114.1T201 H202T199-T201 PolarHBondContact O-N 3.48Å; T199-T201 VanDerWaalsContact O-N 3.07Å; T199-H202 WeakPolarHBondContact O-CB 3.31Å; T199-H202 PolarHBondContact O-N 3.43Å
200V98Very high96.6Very high21 Ų2160.3 Ų60.313%0.12732%0.319CS..G310 helixtrans-59.7-15.4173.3-56.80000114.2V91 G181 L182 K189 M198V91-V200 HydrophobicContact CG1-CG1 4.2Å; G181-V200 CarbonylContact C-O 3.59Å; G181-V200 WeakPolarHBondContact CA-O 3.32Å; L182-V200 PolarHBondContact N-O 2.98Å; L182-V200 WeakPolarHBondContact O-CB 3.24Å; L182-V200 WeakPolarHBondContact O-CG1 3.36Å; K189-V200 HydrophobicContact CD-CG2 3.78Å; M198-V200 HydrophobicContact CB-CG2 3.65Å; M198-V200 HydrophobicContact CE-CG2 4Å; M198-V200 PolarHBondContact O-N 3.23Å; M198-V200 HydrophobicContact SD-CG2 4.29Å
201T98.3Very high96.5Very high0 Ų056.4 Ų56.40%031%0.309CS..G310 helixtrans-102-2.4177.963.10000113.4A194 T195 M198 T199 F203A194-T201 HydrophobicContact CB-CG2 3.6Å; T195-T201 WeakPolarHBondContact O-CG2 3.47Å; T195-T201 PolarHBondContact O-OG1 3.26Å; M198-T201 PolarHBondContact O-N 3Å; M198-T201 PolarHBondContact O-OG1 3.06Å; T199-T201 PolarHBondContact O-N 3.48Å; T199-T201 VanDerWaalsContact O-N 3.07Å; T201-F203 VanDerWaalsContact O-CD2 3.27Å; T201-F203 WeakPolarHBondContact O-CD2 3.27Å
202H98.6Very high96.4Very high19 Ų1959.9 Ų59.99%0.08833%0.328CS..  trans-91.6119.5-173.5-61-178.7000109.1C89 L163 N165 Y167 T196 M198 T199C89-H202 WeakPolarHBondContact CA-O 3.46Å; C89-H202 PolarHBondContact SG-O 3.31Å; L163-H202 WeakPolarHBondContact CD1-CD2 3.44Å; L163-H202 WeakPolarHBondContact CD1-NE2 3.47Å; N165-H202 PolarHBondContact ND2-CE1 2.9Å; N165-H202 PolarHBondContact ND2-ND1 3.37Å; Y167-H202 HydrophobicContact CD1-CB 3.86Å; Y167-H202 HydrophobicContact CG-CB 3.9Å; T196-H202 PolarHBondContact O-NE2 3.19Å; M198-H202 PolarHBondContact O-CD2 3.22Å; M198-H202 PolarHBondContact O-NE2 3.25Å; T199-H202 WeakPolarHBondContact O-CB 3.31Å; T199-H202 PolarHBondContact O-N 3.43Å
203F98.7Very high96.4Very high0 Ų058.5 Ų58.50%032%0.322CS..BIsolated β-bridgetrans-122.8134179.8-68.2-91000111.1L87 Y88 C89 L97 N168 Y170 I180 L182 T201L87-F203 HydrophobicContact CB-CB 4.47Å; L87-F203 HydrophobicContact CB-CD1 3.94Å; Y88-F203 CarbonylContact O-C 3.56Å; Y88-F203 VanDerWaalsContact O-CA 3.3Å; Y88-F203 WeakPolarHBondContact O-CA 3.35Å; C89-F203 HydrophobicContact CB-CD1 3.78Å; C89-F203 HydrophobicContact CB-CE1 3.61Å; C89-F203 HydrophobicContact CB-CZ 4.18Å; L97-F203 HydrophobicContact CB-CE1 4.43Å; N168-F203 PolarHBondContact N-O 2.85Å; N168-F203 PolarHBondContact O-N 3.3Å; Y170-F203 HydrophobicContact CD2-CB 4.3Å; Y170-F203 AromaticContact CD2-CD2 3.98Å; Y170-F203 HydrophobicContact CD2-CD2 3.98Å; Y170-F203 HydrophobicContact CD2-CG 4.31Å; Y170-F203 HydrophobicContact CE2-CB 3.73Å; Y170-F203 HydrophobicContact CE2-CD2 4.27Å; Y170-F203 HydrophobicContact CE2-CG 4.16Å; I180-F203 HydrophobicContact CB-CE2 4.29Å; I180-F203 HydrophobicContact CG2-CE2 3.79Å; I180-F203 HydrophobicContact CG2-CZ 3.75Å; L182-F203 HydrophobicContact CD1-CE1 3.89Å; L182-F203 HydrophobicContact CD1-CZ 4.34Å; L182-F203 HydrophobicContact CG-CE1 4.11Å; L182-F203 HydrophobicContact CG-CZ 4.03Å; T201-F203 VanDerWaalsContact O-CD2 3.27Å; T201-F203 WeakPolarHBondContact O-CD2 3.27Å
204L98Very high96.3Very high64 Ų6453.1 Ų53.134%0.33530%0.303SS..EExtended strand (participates in β ladder)trans-103.5115.7173-178.565.4000108.6Y88 Y167 R206Y88-L204 PolarHBondContact N-O 2.7Å; Y88-L204 PolarHBondContact O-N 3.11Å; Y167-L204 HydrophobicContact CD1-CB 3.9Å; Y167-L204 HydrophobicContact CE1-CB 3.73Å; L204-R206 HydrophobicContact CD2-CG 4.27Å; L204-R206 HydrophobicContact CG-CG 4.23Å; L204-R206 PolarHBondContact O-N 3.12Å
205P96.8Very high96.3Very high33 Ų3357.2 Ų57.221%0.21433%0.326CS..EExtended strand (participates in β ladder)trans-67.5117.7171.1-18.832.3000110.6R85 L87R85-P205 HydrophobicContact CB-CB 4.22Å; R85-P205 HydrophobicContact CG-CB 4.22Å; L87-P205 HydrophobicContact CD2-CB 4.29Å; L87-P205 HydrophobicContact CD2-CG 4.19Å
206R94.7Very high96.2Very high97 Ų9756.3 Ų56.337%0.36632%0.319SS..EExtended strand (participates in β ladder)trans-111.9151.5178-63.7178.965.4-176.1-4.5110.7R85 R86 L204R85-R206 CarbonylContact C-O 3.54Å; R85-R206 WeakPolarHBondContact CA-O 3.4Å; R85-R206 VanDerWaalsContact CB-O 3.3Å; R85-R206 WeakPolarHBondContact CB-O 3.48Å; R85-R206 VanDerWaalsContact CD-O 3.24Å; R85-R206 WeakPolarHBondContact CD-O 3.46Å; R86-R206 PolarHBondContact N-O 2.98Å; R86-R206 PolarHBondContact O-N 2.85Å; L204-R206 HydrophobicContact CD2-CG 4.27Å; L204-R206 HydrophobicContact CG-CG 4.23Å; L204-R206 PolarHBondContact O-N 3.12Å
207L84.6Confident96.2Very high147 Ų14756.2 Ų56.277%0.7732%0.316SS*.  trans-71.90166-74.9168.3000108.9R85 R86R85-L207 VanDerWaalsContact NH1-CD2 3.26Å; R86-L207 PolarHBondContact NH1-OXT 3.27Å

Retrieved 207 of 207 residues in 120.5 ms (Link to these results)