A0A087YF74_POEFO Loading...

Transmembrane protein 106B

AlphaFold DB , UniProt , Accession A0A087YF74, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 265 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M33.5Very low31.5Very low257 Ų257144.9 Ų144.9100%1.26685%0.851SS**  0113.60-88.1165150.900108
2G30.8Very low31.6Very low78 Ų78141.9 Ų141.980%0.80484%0.835SS**  trans-171.8123.8174.200000107.4
3I35.4Very low31.3Very low171 Ų171142.1 Ų142.188%0.87784%0.839SS**  trans-113142.5-176.7-64.6178.6000109.2
4S34.8Very low31.6Very low101 Ų101142.5 Ų142.571%0.70684%0.835SS**  trans-75.1170.9-174.263.60000114.6
5V31.8Very low31.5Very low143 Ų143144.6 Ų144.687%0.86784%0.838SS**  -157.9148.5108.3170.20000109.8
6S29.7Very low31.4Very low90 Ų90144.8 Ų144.863%0.62984%0.835SS**  trans-83.8154.2-165.5176.10000116.1
7C26.7Very low31.3Very low131 Ų131145.8 Ų145.889%0.88583%0.828SS**  trans-139.4131151.9-84.40000108.6
8T28.8Very low31.3Very low136 Ų136145.7 Ų145.783%0.83482%0.819SS**  trans-126.9133.617229.70000111.5
9S36.8Very low31Very low119 Ų119145.1 Ų145.183%0.83281%0.814SS**  trans-96.5162.5174.4176.10000110.8
10K28Very low30.8Very low196 Ų196142.7 Ų142.785%0.85281%0.807SS**  trans177.8156.6150.2-106.1180-179.6-171.10110.1
11E29.8Very low30.5Very low172 Ų172144 Ų14480%0.80481%0.811SS**  cis-163.2152-48.8-178.7171160.200105.9
12T33.5Very low30.2Very low109 Ų109136 Ų13667%0.66979%0.786SS**  trans-52.5158.1-180-52.70000118.2
13T26.6Very low30.2Very low144 Ų144137.8 Ų137.888%0.88379%0.786SS**  -160.7129.5127.92.40000114.4
14L36.3Very low30.3Very low148 Ų148135.8 Ų135.878%0.77578%0.784SS**  trans-100.2162.8169-78.1165.9000109.6
15I30.6Very low30.4Very low174 Ų174137.5 Ų137.589%0.89279%0.79SS**  trans-172.1143.9133.8-87.1146.4000109.3
16D28.6Very low30.4Very low148 Ų148139.9 Ų139.979%0.79179%0.792SS**  trans-123.4159.3-168.9-128.5-18.8000112.4
17K30.1Very low30.3Very low162 Ų162143.8 Ų143.870%0.70481%0.805SS**  trans69150159.9-89.2177.4147.4-134.10120.6
18E31.7Very low30.4Very low143 Ų143140.9 Ų140.967%0.66880%0.798SS**  cis-160.2157.910.4-134.3151.7160.700106.1
19D24.9Very low30.5Very low135 Ų135143.1 Ų143.172%0.72280%0.801SS**  172.3142.675.9-150-5.7000112.9
20S26.9Very low30.1Very low97 Ų97144.3 Ų144.368%0.67880%0.803SS**  trans24.6131.7150.3-54.30000127.2
21L26.1Very low30.3Very low169 Ų169143 Ų14389%0.88580%0.8SS**  135.2130.1108.5-145.279.9000118.3
22A26.8Very low30.3Very low90 Ų90141.6 Ų141.674%0.74480%0.798SS**  trans82.8119148.300000122.6
23S31.3Very low30.3Very low115 Ų115140 Ų14080%0.80480%0.803SS**  trans-83.1159.2154.9-510000111.4
24P37Very low30.7Very low130 Ų130138.7 Ų138.784%0.84480%0.8SS**  -139.3156.3127.125.9-6.7000114.5
25V36Very low31.3Very low136 Ų136139 Ų13982%0.82481%0.808SS**  trans-92.5140167170.20000108.1
26E32.3Very low31.7Very low193 Ų193134.8 Ų134.890%0.90280%0.799SS**  trans-169.9157.2131.7-106.4-168.7-172.700114.3
27D28.3Very low32.5Very low172 Ų172135 Ų13592%0.9280%0.801SS**  trans-61.8162.4-168.6-105-36.8000117.7
28G27.3Very low33.4Very low70 Ų70133.6 Ų133.672%0.72281%0.805SS**  trans158.4104.5157.100000117
29M31.4Very low34.3Very low184 Ų184130.5 Ų130.591%0.90680%0.799SS**  trans-48.3143.8173.9-155.894.689.400115.4
30T29Very low35.4Very low143 Ų143133 Ų13388%0.87781%0.807SS**  trans-170.7147.4134.117.10000113.6
31E31.3Very low36.4Very low169 Ų169136.6 Ų136.679%0.7981%0.81SS**  trans-66.8170.5-171.3-74.8175123.100118.1
32N30.2Very low37.3Very low142 Ų142133.9 Ų133.976%0.75980%0.802SS**  trans96.694.4147.1-71.3-25.7000118.7
33G32.7Very low38.4Very low75 Ų75137 Ų13777%0.77380%0.796SS**  69.2105.3105.200000117.4
34S36.3Very low39.7Very low117 Ų117136.3 Ų136.382%0.81879%0.787SS**  trans-162.5108.4132.942.60000110A36S34-A36 PolarHBondContact O-N 3.37Å
35V47.8Very low40.7Very low154 Ų154136.5 Ų136.593%0.93378%0.777SS**  trans-65.9116.1161173.90000106.6
36A39.6Very low41.5Very low87 Ų87138.5 Ų138.572%0.71977%0.774SS**  trans-123.292.4173.700000109.8S34S34-A36 PolarHBondContact O-N 3.37Å
37D44.9Very low42.7Very low153 Ų153135 Ų13582%0.81877%0.767SS**  trans41.487.5135.9-153.422.1000117.6
38V50.2Low43.8Very low132 Ų132128.8 Ų128.880%0.874%0.743SS**  trans-84.7111.5162.3-179.40000107.3Q40V38-Q40 PolarHBondContact O-N 3.2Å
39S50.6Low45.2Very low77 Ų77137.6 Ų137.654%0.53876%0.755SS.*  trans-49.3110.3174.745.10000111.6F41S39-F41 WeakPolarHBondContact O-CD2 3.13Å; S39-F41 PolarHBondContact O-N 3.17Å; S39-F41 VanDerWaalsContact O-N 3.07Å; S39-F41 WeakPolarHBondContact OG-CE2 3.33Å
40Q48.3Very low46.3Very low189 Ų189136.4 Ų136.488%0.88375%0.752SS**  trans-78.793.3178.5-169.3155.4-12.500109.6V38V38-Q40 PolarHBondContact O-N 3.2Å
41F47.3Very low47.8Very low172 Ų172132.7 Ų132.775%0.75473%0.732SS**PPolyproline II helixtrans-69.8129.5168-68.9-84.4000109.4S39 Y43S39-F41 WeakPolarHBondContact O-CD2 3.13Å; S39-F41 PolarHBondContact O-N 3.17Å; S39-F41 VanDerWaalsContact O-N 3.07Å; S39-F41 WeakPolarHBondContact OG-CE2 3.33Å; F41-Y43 PolarHBondContact O-N 3.39Å
42P44.3Very low49.4Very low111 Ų111131.4 Ų131.472%0.72174%0.735SS**PPolyproline II helixtrans-66.4122.5-179.925.2-31.3000109.9V44P42-V44 PolarHBondContact O-N 3.14Å
43Y50.9Low50.9Low155 Ų155129.1 Ų129.161%0.60873%0.726SS**PPolyproline II helixtrans-67.5122.9171.1178-107.6000109.1F41 E45F41-Y43 PolarHBondContact O-N 3.39Å; Y43-E45 HydrophobicContact CD1-CG 4.13Å; Y43-E45 HydrophobicContact CE1-CG 3.3Å
44V58.2Low52Low102 Ų102128.3 Ų128.362%0.61871%0.708SS**  trans-115.3117176-97.10000109.1P42 F46P42-V44 PolarHBondContact O-N 3.14Å; V44-F46 HydrophobicContact CB-CD2 4.37Å; V44-F46 HydrophobicContact CB-CE2 4.3Å; V44-F46 HydrophobicContact CG2-CD2 4.42Å; V44-F46 HydrophobicContact CG2-CE2 4.14Å; V44-F46 PolarHBondContact O-N 3.26Å
45E58.4Low53.3Low134 Ų134128.1 Ų128.163%0.62670%0.704SS**  trans-77.8101.1170.2-71.6179.9164.700109.2Y43 T47Y43-E45 HydrophobicContact CD1-CG 4.13Å; Y43-E45 HydrophobicContact CE1-CG 3.3Å; E45-T47 VanDerWaalsContact C-N 3.3Å; E45-T47 PolarHBondContact O-N 3.39Å; E45-T47 VanDerWaalsContact O-N 3.12Å
46F52.1Low54Low177 Ų177123.2 Ų123.278%0.77668%0.675SS**  trans-79.779.5165.7-85.6-91.4000109.1V44 G48V44-F46 HydrophobicContact CB-CD2 4.37Å; V44-F46 HydrophobicContact CB-CE2 4.3Å; V44-F46 HydrophobicContact CG2-CD2 4.42Å; V44-F46 HydrophobicContact CG2-CE2 4.14Å; V44-F46 PolarHBondContact O-N 3.26Å; F46-G48 PolarHBondContact O-N 3.07Å
47T58.4Low55.1Low120 Ų120120.4 Ų120.474%0.73665%0.649SS**  trans-76.172.6164.356.50000109E45E45-T47 VanDerWaalsContact C-N 3.3Å; E45-T47 PolarHBondContact O-N 3.39Å; E45-T47 VanDerWaalsContact O-N 3.12Å
48G51.6Low56.1Low41 Ų41120.5 Ų120.542%0.42365%0.645SS.*  trans-71.8146.4169.800000110.3F46 D50 S51F46-G48 PolarHBondContact O-N 3.07Å; G48-D50 PolarHBondContact O-N 3.28Å; G48-S51 WeakPolarHBondContact O-CB 3.31Å; G48-S51 PolarHBondContact O-N 2.95Å; G48-S51 PolarHBondContact O-OG 2.91Å; G48-S51 VanDerWaalsContact O-OG 3.11Å
49R55.8Low56.9Low256 Ų256115.8 Ų115.897%0.96662%0.623SS**THydrogen-bonded Turntrans-57.8-7.1-172.5-121.5175.5-161.2171.94.5116.3
50D54.9Low57.7Low158 Ų158116.3 Ų116.385%0.84562%0.623SS**THydrogen-bonded Turntrans-126.619.7176.9-61.9-45.9000113G48 V52G48-D50 PolarHBondContact O-N 3.28Å; D50-V52 PolarHBondContact O-N 2.8Å
51S60.5Low58.4Low66 Ų66110 Ų11046%0.46261%0.609SS.*  trans-77.8110.4179.167.50000111.1G48 T53G48-S51 WeakPolarHBondContact O-CB 3.31Å; G48-S51 PolarHBondContact O-N 2.95Å; G48-S51 PolarHBondContact O-OG 2.91Å; G48-S51 VanDerWaalsContact O-OG 3.11Å; S51-T53 PolarHBondContact O-N 3.37Å
52V63.7Low59.1Low141 Ų141111.7 Ų111.786%0.85561%0.61SS**PPolyproline II helixtrans-72.3117.6170.4-175.60000108.6D50 C54D50-V52 PolarHBondContact O-N 2.8Å; V52-C54 PolarHBondContact O-N 2.93Å
53T62.5Low60Low95 Ų95110.2 Ų110.258%0.58360%0.595SS**PPolyproline II helixtrans-63.2127.1176.144.30000110.4S51S51-T53 PolarHBondContact O-N 3.37Å
54C56Low60.7Low57 Ų57106.9 Ų106.939%0.38559%0.593SS.*PPolyproline II helixtrans-58.8124176.8173.70000109.9V52 T56 C57 Q58V52-C54 PolarHBondContact O-N 2.93Å; C54-T56 PolarHBondContact O-N 3.31Å; C54-C57 VanDerWaalsContact CB-SG 3.57Å; C54-C57 PolarHBondContact O-N 2.04Å; C54-C57 VanDerWaalsContact SG-SG 3.69Å; C54-Q58 WeakPolarHBondContact O-CA 3.3Å; C54-Q58 PolarHBondContact O-N 2.95Å
55P63.8Low60.7Low113 Ų113112.5 Ų112.573%0.73460%0.603SS**THydrogen-bonded Turntrans-65.9-24.5-175.324.4-32.9000113.2
56T62.4Low60.9Low52 Ų52109.8 Ų109.832%0.31961%0.611SS.*THydrogen-bonded Turntrans-78.3-37.9-176.5-39.80000113C54 L71 L74C54-T56 PolarHBondContact O-N 3.31Å; T56-L71 HydrophobicContact CG2-CD2 3.71Å; T56-L74 HydrophobicContact CG2-CD2 4.05Å
57C61.8Low61.1Low28 Ų28106.4 Ų106.419%0.18960%0.598CS.*THydrogen-bonded Turntrans-113.60.8-179.863.90000112.9C54 G59 T60C54-C57 VanDerWaalsContact CB-SG 3.57Å; C54-C57 PolarHBondContact O-N 2.04Å; C54-C57 VanDerWaalsContact SG-SG 3.69Å; C57-G59 PolarHBondContact O-N 3.41Å; C57-T60 WeakPolarHBondContact O-CB 3.37Å; C57-T60 PolarHBondContact O-N 3.46Å; C57-T60 PolarHBondContact O-OG1 3.12Å
58Q65.4Low60.9Low154 Ų154104.6 Ų104.672%0.7258%0.581SS**THydrogen-bonded Turntrans47.929.4-176.9-61.3-178.24.500113.8C54 T60C54-Q58 WeakPolarHBondContact O-CA 3.3Å; C54-Q58 PolarHBondContact O-N 2.95Å; Q58-T60 VanDerWaalsContact C-N 3.31Å; Q58-T60 PolarHBondContact O-N 2.81Å
59G67.6Low60.8Low33 Ų33110.6 Ų110.634%0.3460%0.604SS.*THydrogen-bonded Turntrans82.5-5.4-175.900000115.6C57C57-G59 PolarHBondContact O-N 3.41Å
60T66.9Low60.6Low89 Ų89105.3 Ų105.355%0.54659%0.59SS.*SBendtrans-85.1-6.1-176.3670000114.7C57 Q58 R62C57-T60 WeakPolarHBondContact O-CB 3.37Å; C57-T60 PolarHBondContact O-N 3.46Å; C57-T60 PolarHBondContact O-OG1 3.12Å; Q58-T60 VanDerWaalsContact C-N 3.31Å; Q58-T60 PolarHBondContact O-N 2.81Å; T60-R62 PolarHBondContact O-N 3.17Å; T60-R62 PolarHBondContact OG1-O 3.26Å
61G62.8Low60.5Low57 Ų57100.7 Ų100.759%0.58857%0.565SS**SBendtrans64.12.6-178.600000115.2
62R63.7Low60Low207 Ų207103.7 Ų103.778%0.78158%0.58SS**  trans-124.6135.4-179.8-65.4-175.8177.9173.10.4110.1T60T60-R62 PolarHBondContact O-N 3.17Å; T60-R62 PolarHBondContact OG1-O 3.26Å
63I62Low59.6Low79 Ų79100.7 Ų100.741%0.40557%0.57SS.*  trans-97.7128178-63.9164.7000107.5R65 L71I63-R65 PolarHBondContact O-N 2.97Å; I63-L71 HydrophobicContact CD1-CD1 4.39Å; I63-L71 HydrophobicContact CG2-CD1 3.47Å; I63-L71 VanDerWaalsContact CG2-CD1 3.47Å
64P65.2Low59.4Low85 Ų85102.8 Ų102.855%0.55258%0.577SS**  trans-59.5132.5178.7-21.130.8000112G66 Q67P64-G66 PolarHBondContact O-N 3.22Å; P64-Q67 PolarHBondContact O-N 3.35Å
65R59.7Low59.3Low220 Ų220105 Ų10583%0.8358%0.584SS**THydrogen-bonded Turntrans-73.532.8-173.8-69.9-137.7161.5-162.62.3116.3I63 E68I63-R65 PolarHBondContact O-N 2.97Å; R65-E68 WeakPolarHBondContact CA-OE1 3.08Å; R65-E68 WeakPolarHBondContact CB-OE1 3.37Å; R65-E68 WeakPolarHBondContact CD-OE1 3.35Å; R65-E68 WeakPolarHBondContact CG-OE1 3.36Å; R65-E68 IonicContact NE-OE1 3.52Å
66G61.2Low58.4Low78 Ų78103.2 Ų103.280%0.80457%0.572SS**THydrogen-bonded Turntrans-125-4.6170.300000113.4P64P64-G66 PolarHBondContact O-N 3.22Å
67Q56.3Low57.6Low106 Ų106112 Ų11250%0.49560%0.601SS.*SBendtrans-1187.6-175.8-153.7166.4-0.600112.9P64 N69 Q70 L71P64-Q67 PolarHBondContact O-N 3.35Å; Q67-N69 VanDerWaalsContact C-N 3.32Å; Q67-N69 PolarHBondContact O-N 3.46Å; Q67-Q70 PolarHBondContact O-N 3.16Å; Q67-L71 VanDerWaalsContact O-CD1 3.27Å; Q67-L71 WeakPolarHBondContact O-CD1 3.43Å
68E54.7Low57.1Low81 Ų81115.7 Ų115.738%0.37963%0.627SS.*G310 helixtrans-63.1-36.8-177.4-54.6-177.6-132.500112.2R65 Q70 L71R65-E68 WeakPolarHBondContact CA-OE1 3.08Å; R65-E68 WeakPolarHBondContact CB-OE1 3.37Å; R65-E68 WeakPolarHBondContact CD-OE1 3.35Å; R65-E68 WeakPolarHBondContact CG-OE1 3.36Å; R65-E68 IonicContact NE-OE1 3.52Å; E68-Q70 PolarHBondContact O-N 2.86Å; E68-Q70 VanDerWaalsContact O-N 3.13Å; E68-L71 PolarHBondContact O-N 3.33Å; E68-L71 VanDerWaalsContact O-N 3.11Å
69N49.7Very low56.6Low168 Ų168110.8 Ų110.890%0.89861%0.606SS**G310 helixtrans-71.3-7.2-178.5-60.6-14.8000113.5Q67Q67-N69 VanDerWaalsContact C-N 3.32Å; Q67-N69 PolarHBondContact O-N 3.46Å
70Q51.2Low55.8Low144 Ų144117.3 Ų117.367%0.67363%0.628SS**G310 helixtrans-107.61.1176.4-159.6174.15.100112.4Q67 E68Q67-Q70 PolarHBondContact O-N 3.16Å; E68-Q70 PolarHBondContact O-N 2.86Å; E68-Q70 VanDerWaalsContact O-N 3.13Å
71L53.2Low55.1Low61 Ų61124 Ų12432%0.31964%0.643SS.*  trans-114.162.7-176.7-73152.2000110.2T56 I63 Q67 E68 L74T56-L71 HydrophobicContact CG2-CD2 3.71Å; I63-L71 HydrophobicContact CD1-CD1 4.39Å; I63-L71 HydrophobicContact CG2-CD1 3.47Å; I63-L71 VanDerWaalsContact CG2-CD1 3.47Å; Q67-L71 VanDerWaalsContact O-CD1 3.27Å; Q67-L71 WeakPolarHBondContact O-CD1 3.43Å; E68-L71 PolarHBondContact O-N 3.33Å; E68-L71 VanDerWaalsContact O-N 3.11Å; L71-L74 HydrophobicContact CD2-CD2 4.49Å
72V50.1Low54.6Low130 Ų130126.7 Ų126.779%0.78864%0.643SS**SBendtrans-106.2108.5163179.70000106.4
73A56.2Low54Low78 Ų78125 Ų12565%0.64564%0.637SS**SBendtrans62.1117.3-171.200000115.2I75A73-I75 PolarHBondContact O-N 3.5Å
74L56.8Low54Low138 Ų138123.3 Ų123.372%0.72363%0.631SS**  trans-68.769.4170.3-79.4148000111.2T56 L71T56-L74 HydrophobicContact CG2-CD2 4.05Å; L71-L74 HydrophobicContact CD2-CD2 4.49Å
75I54.1Low53.9Low105 Ų105128.6 Ų128.654%0.53864%0.64SS.*  trans-109.3115.8157.4-57.3173.2000105A73 Y77 L82A73-I75 PolarHBondContact O-N 3.5Å; I75-Y77 PolarHBondContact O-N 2.72Å; I75-L82 HydrophobicContact CG2-CD1 3.91Å; I75-L82 HydrophobicContact CG2-CD2 4.28Å
76P45.7Very low54.4Low75 Ų75126.7 Ų126.749%0.48763%0.633SS.*  trans-56.8130.8-176.713.5-19.5000110.2S78 D79P76-S78 PolarHBondContact O-N 3.12Å; P76-D79 HydrophobicContact CG-CB 3.92Å; P76-D79 WeakPolarHBondContact O-CB 3.34Å; P76-D79 PolarHBondContact O-N 2.87Å
77Y45.4Very low55.3Low235 Ų235126.7 Ų126.792%0.92262%0.617SS**THydrogen-bonded Turntrans-57.3-18.8177.3-163.3-93.6000112.4I75I75-Y77 PolarHBondContact O-N 2.72Å
78S51.6Low56.4Low106 Ų106129 Ų12974%0.74163%0.626SS**THydrogen-bonded Turntrans-11127.6176.654.90000113.5P76 Q80P76-S78 PolarHBondContact O-N 3.12Å; S78-Q80 PolarHBondContact O-N 3.04Å; S78-Q80 VanDerWaalsContact O-N 3.08Å
79D53.6Low57.8Low51 Ų51129.7 Ų129.727%0.27363%0.632SS.*  trans-63.9112.4173.8-162.2-21000110.4P76 R81 L82 R83P76-D79 HydrophobicContact CG-CB 3.92Å; P76-D79 WeakPolarHBondContact O-CB 3.34Å; P76-D79 PolarHBondContact O-N 2.87Å; D79-R81 PolarHBondContact O-N 3Å; D79-R81 WeakPolarHBondContact OD1-CB 3.02Å; D79-R81 PolarHBondContact OD1-N 3.46Å; D79-L82 HydrophobicContact CB-CB 4.33Å; D79-L82 HydrophobicContact CB-CD1 3.98Å; D79-L82 PolarHBondContact O-N 3.09Å; D79-R83 PolarHBondContact O-N 2.94Å
80Q50.8Low59.6Low171 Ų171128.8 Ų128.880%0.79962%0.617SS**THydrogen-bonded Turntrans-67.7-12.5179.7-157.1149.3-19.700112.3S78S78-Q80 PolarHBondContact O-N 3.04Å; S78-Q80 VanDerWaalsContact O-N 3.08Å
81R52.7Low61.5Low229 Ų229126 Ų12686%0.86461%0.61SS**THydrogen-bonded Turntrans-74.7-30.5166.2-67.7-171.376.8-168.64.2113.1D79 R83D79-R81 PolarHBondContact O-N 3Å; D79-R81 WeakPolarHBondContact OD1-CB 3.02Å; D79-R81 PolarHBondContact OD1-N 3.46Å; R81-R83 VanDerWaalsContact C-N 3.34Å
82L51.8Low63.3Low113 Ų113126 Ų12659%0.59262%0.615SS**THydrogen-bonded Turntrans-81-12.6176.3-94.982.8000113.1I75 D79 P84I75-L82 HydrophobicContact CG2-CD1 3.91Å; I75-L82 HydrophobicContact CG2-CD2 4.28Å; D79-L82 HydrophobicContact CB-CB 4.33Å; D79-L82 HydrophobicContact CB-CD1 3.98Å; D79-L82 PolarHBondContact O-N 3.09Å; L82-P84 WeakPolarHBondContact O-CD 3.44Å; L82-P84 WeakPolarHBondContact O-CG 3.42Å
83R51.8Low65.4Low171 Ų171122.3 Ų122.365%0.64560%0.598SS**  trans-82.889.7174.1-163.5175.7-172.2-1774.2109.1D79 R81 R85D79-R83 PolarHBondContact O-N 2.94Å; R81-R83 VanDerWaalsContact C-N 3.34Å; R83-R85 PolarHBondContact O-N 3.42Å
84P62.7Low67.2Low44 Ų44122.3 Ų122.329%0.28659%0.593SS.*  trans-88.667.9-166.4202.3000106.8L82 R86 T87 K88L82-P84 WeakPolarHBondContact O-CD 3.44Å; L82-P84 WeakPolarHBondContact O-CG 3.42Å; P84-R86 PolarHBondContact O-N 3.44Å; P84-T87 VanDerWaalsContact CB-CB 3.42Å; P84-T87 WeakPolarHBondContact CB-OG1 3.41Å; P84-T87 PolarHBondContact O-N 3.28Å; P84-K88 HydrophobicContact CG-CG 4.42Å; P84-K88 WeakPolarHBondContact O-CB 3.44Å; P84-K88 WeakPolarHBondContact O-CG 3.32Å; P84-K88 PolarHBondContact O-N 3.18Å
85R62.3Low69.1Low197 Ų197119.5 Ų119.574%0.74358%0.581SS**Hα-helixtrans-59.4-33.8178-115.9-176.6173.1178.3-2.3110.5R83R83-R85 PolarHBondContact O-N 3.42Å
86R71.5Confident71.1Confident179 Ų179118.4 Ų118.468%0.67558%0.579SS**Hα-helixtrans-82-42.9174.3-60.5-66.9-175.6178.10.5112.3P84 K88 L89 Y90P84-R86 PolarHBondContact O-N 3.44Å; R86-K88 PolarHBondContact O-N 2.78Å; R86-L89 WeakPolarHBondContact O-CB 3.28Å; R86-L89 PolarHBondContact O-N 2.97Å; R86-L89 VanDerWaalsContact O-N 3.13Å; R86-Y90 VanDerWaalsContact C-CD2 3.5Å; R86-Y90 HydrophobicContact CB-CD2 4.25Å; R86-Y90 HydrophobicContact CB-CE2 3.8Å; R86-Y90 WeakPolarHBondContact O-CD2 3.35Å; R86-Y90 PolarHBondContact O-N 3.33Å
87T78.3Confident73.6Confident78 Ų78119.7 Ų119.748%0.47958%0.582SS.*Hα-helixtrans-66.4-34.6179.6-25.50000113P84 L89 Y90 V91P84-T87 VanDerWaalsContact CB-CB 3.42Å; P84-T87 WeakPolarHBondContact CB-OG1 3.41Å; P84-T87 PolarHBondContact O-N 3.28Å; T87-L89 VanDerWaalsContact C-N 3.31Å; T87-L89 PolarHBondContact O-N 3.12Å; T87-Y90 PolarHBondContact O-N 2.91Å; T87-V91 HydrophobicContact CG2-CG2 4.39Å; T87-V91 WeakPolarHBondContact O-CB 3.41Å; T87-V91 WeakPolarHBondContact O-CG2 3.4Å; T87-V91 PolarHBondContact O-N 2.87Å
88K79.8Confident76Confident154 Ų154112 Ų11267%0.6756%0.561SS**Hα-helixtrans-60.4-41171.6-72.2-173179.4-167.20111.9P84 R86 S92P84-K88 HydrophobicContact CG-CG 4.42Å; P84-K88 WeakPolarHBondContact O-CB 3.44Å; P84-K88 WeakPolarHBondContact O-CG 3.32Å; P84-K88 PolarHBondContact O-N 3.18Å; R86-K88 PolarHBondContact O-N 2.78Å; K88-S92 WeakPolarHBondContact O-CB 3.35Å; K88-S92 PolarHBondContact O-N 2.94Å; K88-S92 PolarHBondContact O-OG 2.89Å; K88-S92 VanDerWaalsContact O-OG 3.1Å
89L84.9Confident78.2Confident97 Ų97112.3 Ų112.351%0.50855%0.554SS.*Hα-helixtrans-69.1-41.6176.5-177.5134.8000112.2R86 T87 S92 A93R86-L89 WeakPolarHBondContact O-CB 3.28Å; R86-L89 PolarHBondContact O-N 2.97Å; R86-L89 VanDerWaalsContact O-N 3.13Å; T87-L89 VanDerWaalsContact C-N 3.31Å; T87-L89 PolarHBondContact O-N 3.12Å; L89-S92 WeakPolarHBondContact CA-OG 3.19Å; L89-S92 PolarHBondContact O-N 3.47Å; L89-S92 PolarHBondContact O-OG 2.82Å; L89-A93 WeakPolarHBondContact O-CB 3.33Å; L89-A93 PolarHBondContact O-N 2.72Å
90Y88.1Confident80.3Confident149 Ų149114.8 Ų114.858%0.58457%0.566SS**Hα-helixtrans-63.7-46.1174.8-68.5-58.3000111.7R86 T87 A93 S94R86-Y90 VanDerWaalsContact C-CD2 3.5Å; R86-Y90 HydrophobicContact CB-CD2 4.25Å; R86-Y90 HydrophobicContact CB-CE2 3.8Å; R86-Y90 WeakPolarHBondContact O-CD2 3.35Å; R86-Y90 PolarHBondContact O-N 3.33Å; T87-Y90 PolarHBondContact O-N 2.91Å; Y90-A93 PolarHBondContact O-N 2.85Å; Y90-S94 WeakPolarHBondContact O-CB 3.38Å; Y90-S94 PolarHBondContact O-N 2.83Å; Y90-S94 PolarHBondContact O-OG 3.48Å
91V90.7Very high82.5Confident86 Ų86111.7 Ų111.752%0.52156%0.555SS.*Hα-helixtrans-62.7-45.2177.5173.10000110.6T87 A93 S94 V95T87-V91 HydrophobicContact CG2-CG2 4.39Å; T87-V91 WeakPolarHBondContact O-CB 3.41Å; T87-V91 WeakPolarHBondContact O-CG2 3.4Å; T87-V91 PolarHBondContact O-N 2.87Å; V91-A93 VanDerWaalsContact C-N 3.35Å; V91-A93 PolarHBondContact O-N 2.85Å; V91-S94 PolarHBondContact O-N 2.91Å; V91-V95 VanDerWaalsContact O-CG2 3.31Å; V91-V95 WeakPolarHBondContact O-CG2 3.35Å; V91-V95 PolarHBondContact O-N 3.22Å
92S90.6Very high84.6Confident61 Ų61103.8 Ų103.843%0.42754%0.535SS..Hα-helixtrans-63.3-40.3176.261.30000112.4K88 L89 V95 V96K88-S92 WeakPolarHBondContact O-CB 3.35Å; K88-S92 PolarHBondContact O-N 2.94Å; K88-S92 PolarHBondContact O-OG 2.89Å; K88-S92 VanDerWaalsContact O-OG 3.1Å; L89-S92 WeakPolarHBondContact CA-OG 3.19Å; L89-S92 PolarHBondContact O-N 3.47Å; L89-S92 PolarHBondContact O-OG 2.82Å; S92-V95 PolarHBondContact O-N 2.94Å; S92-V96 VanDerWaalsContact O-CG2 3.31Å; S92-V96 WeakPolarHBondContact O-CG2 3.33Å; S92-V96 PolarHBondContact O-N 3.16Å
93A93.8Very high86.7Confident52 Ų52101.8 Ų101.843%0.4353%0.53SS..Hα-helixtrans-64.8-41.6177.200000111.4L89 Y90 V91 V96 L97L89-A93 WeakPolarHBondContact O-CB 3.33Å; L89-A93 PolarHBondContact O-N 2.72Å; Y90-A93 PolarHBondContact O-N 2.85Å; V91-A93 VanDerWaalsContact C-N 3.35Å; V91-A93 PolarHBondContact O-N 2.85Å; A93-V96 PolarHBondContact O-N 2.79Å; A93-L97 VanDerWaalsContact O-CB 3.29Å; A93-L97 WeakPolarHBondContact O-CB 3.07Å; A93-L97 PolarHBondContact O-N 2.93Å
94S94.8Very high88.8Confident77 Ų7797.6 Ų97.654%0.53852%0.52SS..Hα-helixtrans-63-42175-62.80000112.1Y90 V91 L97 C98Y90-S94 WeakPolarHBondContact O-CB 3.38Å; Y90-S94 PolarHBondContact O-N 2.83Å; Y90-S94 PolarHBondContact O-OG 3.48Å; V91-S94 PolarHBondContact O-N 2.91Å; S94-L97 PolarHBondContact O-N 2.93Å; S94-C98 VanDerWaalsContact O-CB 3.31Å; S94-C98 WeakPolarHBondContact O-CB 3.16Å; S94-C98 PolarHBondContact O-N 3.3Å
95V96.8Very high90.3Very high80 Ų8097.8 Ų97.849%0.48553%0.525SS..Hα-helixtrans-63.1-47.5175.9171.70000110.6V91 S92 C98 L99V91-V95 VanDerWaalsContact O-CG2 3.31Å; V91-V95 WeakPolarHBondContact O-CG2 3.35Å; V91-V95 PolarHBondContact O-N 3.22Å; S92-V95 PolarHBondContact O-N 2.94Å; V95-C98 PolarHBondContact O-N 2.92Å; V95-L99 HydrophobicContact CG1-CD1 4.1Å; V95-L99 HydrophobicContact CG1-CG 4.46Å; V95-L99 WeakPolarHBondContact O-CG 3.4Å; V95-L99 PolarHBondContact O-N 2.93Å
96V96.6Very high91.8Very high82 Ų8292.7 Ų92.750%0.49752%0.516SS..Hα-helixtrans-62.1-45.3177.9171.40000111.2S92 A93 C98 L99 L100S92-V96 VanDerWaalsContact O-CG2 3.31Å; S92-V96 WeakPolarHBondContact O-CG2 3.33Å; S92-V96 PolarHBondContact O-N 3.16Å; A93-V96 PolarHBondContact O-N 2.79Å; V96-C98 VanDerWaalsContact C-N 3.33Å; V96-C98 PolarHBondContact O-N 3.25Å; V96-L99 PolarHBondContact O-N 2.85Å; V96-L100 HydrophobicContact CG1-CD1 3.97Å; V96-L100 HydrophobicContact CG1-CG 4.32Å; V96-L100 WeakPolarHBondContact O-CB 3.48Å; V96-L100 VanDerWaalsContact O-CG 3.27Å; V96-L100 WeakPolarHBondContact O-CG 3.35Å; V96-L100 PolarHBondContact O-N 3.41Å
97L96.9Very high92.9Very high102 Ų10289 Ų8953%0.53451%0.505SS..Hα-helixtrans-60.2-43.5177.2-179.564.7000111.5A93 S94 L100 L101A93-L97 VanDerWaalsContact O-CB 3.29Å; A93-L97 WeakPolarHBondContact O-CB 3.07Å; A93-L97 PolarHBondContact O-N 2.93Å; S94-L97 PolarHBondContact O-N 2.93Å; L97-L100 PolarHBondContact O-N 2.88Å; L97-L101 HydrophobicContact CD1-CD1 4.4Å; L97-L101 HydrophobicContact CD1-CG 4.41Å; L97-L101 HydrophobicContact CG-CD1 4.19Å; L97-L101 VanDerWaalsContact O-CG 3.31Å; L97-L101 WeakPolarHBondContact O-CG 2.96Å; L97-L101 PolarHBondContact O-N 3.19Å
98C97Very high93.6Very high73 Ų7389.4 Ų89.449%0.49350%0.5SS..Hα-helixtrans-61.6-48.7176.6-171.70000111.2S94 V95 V96 L100 L101 S102S94-C98 VanDerWaalsContact O-CB 3.31Å; S94-C98 WeakPolarHBondContact O-CB 3.16Å; S94-C98 PolarHBondContact O-N 3.3Å; V95-C98 PolarHBondContact O-N 2.92Å; V96-C98 VanDerWaalsContact C-N 3.33Å; V96-C98 PolarHBondContact O-N 3.25Å; C98-L100 VanDerWaalsContact C-N 3.3Å; C98-L100 PolarHBondContact O-N 3.05Å; C98-L101 PolarHBondContact O-N 2.88Å; C98-S102 WeakPolarHBondContact O-CB 3.45Å; C98-S102 PolarHBondContact O-N 3.29Å; C98-S102 PolarHBondContact O-OG 2.86Å; C98-S102 VanDerWaalsContact O-OG 3.09Å
99L97.1Very high94.1Very high113 Ų11386.9 Ų86.959%0.59249%0.493SS*.Hα-helixtrans-59-41.7176.9-70.8175.3000112V95 V96 S102 S103V95-L99 HydrophobicContact CG1-CD1 4.1Å; V95-L99 HydrophobicContact CG1-CG 4.46Å; V95-L99 WeakPolarHBondContact O-CG 3.4Å; V95-L99 PolarHBondContact O-N 2.93Å; V96-L99 PolarHBondContact O-N 2.85Å; L99-S102 PolarHBondContact O-N 2.9Å; L99-S103 VanDerWaalsContact O-CB 3.27Å; L99-S103 WeakPolarHBondContact O-CB 3.17Å; L99-S103 PolarHBondContact O-N 2.82Å; L99-S103 PolarHBondContact O-OG 3.21Å
100L97.2Very high94.4Very high102 Ų10288.9 Ų88.953%0.53450%0.498SS..Hα-helixtrans-61.3-50.4175.6-73.2173.4000111.1V96 L97 C98 S102 S103 L104V96-L100 HydrophobicContact CG1-CD1 3.97Å; V96-L100 HydrophobicContact CG1-CG 4.32Å; V96-L100 WeakPolarHBondContact O-CB 3.48Å; V96-L100 VanDerWaalsContact O-CG 3.27Å; V96-L100 WeakPolarHBondContact O-CG 3.35Å; V96-L100 PolarHBondContact O-N 3.41Å; L97-L100 PolarHBondContact O-N 2.88Å; C98-L100 VanDerWaalsContact C-N 3.3Å; C98-L100 PolarHBondContact O-N 3.05Å; L100-S102 PolarHBondContact O-N 2.87Å; L100-S103 PolarHBondContact O-N 2.87Å; L100-S103 PolarHBondContact O-OG 2.75Å; L100-L104 WeakPolarHBondContact O-CB 3.48Å; L100-L104 PolarHBondContact O-N 3.2Å
101L96.9Very high94.5Very high106 Ų10684.6 Ų84.656%0.55549%0.489SS*.Hα-helixtrans-61.7-42.7178.5-68.9174000112.2L97 C98 L104 A105L97-L101 HydrophobicContact CD1-CD1 4.4Å; L97-L101 HydrophobicContact CD1-CG 4.41Å; L97-L101 HydrophobicContact CG-CD1 4.19Å; L97-L101 VanDerWaalsContact O-CG 3.31Å; L97-L101 WeakPolarHBondContact O-CG 2.96Å; L97-L101 PolarHBondContact O-N 3.19Å; C98-L101 PolarHBondContact O-N 2.88Å; L101-L104 PolarHBondContact O-N 2.76Å; L101-A105 WeakPolarHBondContact O-CB 3.18Å; L101-A105 PolarHBondContact O-N 2.93Å
102S97Very high94.6Very high64 Ų6484.9 Ų84.945%0.44848%0.48SS..Hα-helixtrans-63.8-44.1175.8-61.70000111.9C98 L99 L100 L104 A105 V106C98-S102 WeakPolarHBondContact O-CB 3.45Å; C98-S102 PolarHBondContact O-N 3.29Å; C98-S102 PolarHBondContact O-OG 2.86Å; C98-S102 VanDerWaalsContact O-OG 3.09Å; L99-S102 PolarHBondContact O-N 2.9Å; L100-S102 PolarHBondContact O-N 2.87Å; S102-L104 VanDerWaalsContact C-N 3.29Å; S102-L104 PolarHBondContact O-N 2.87Å; S102-A105 PolarHBondContact O-N 2.84Å; S102-V106 WeakPolarHBondContact O-CG2 3.36Å; S102-V106 PolarHBondContact O-N 2.81Å
103S95.9Very high94.5Very high70 Ų7085.4 Ų85.449%0.4948%0.484SS..Hα-helixtrans-62.9-38.4177.272.90000112L99 L100 V106 F107L99-S103 VanDerWaalsContact O-CB 3.27Å; L99-S103 WeakPolarHBondContact O-CB 3.17Å; L99-S103 PolarHBondContact O-N 2.82Å; L99-S103 PolarHBondContact O-OG 3.21Å; L100-S103 PolarHBondContact O-N 2.87Å; L100-S103 PolarHBondContact O-OG 2.75Å; S103-V106 PolarHBondContact O-N 2.86Å; S103-F107 WeakPolarHBondContact O-CB 3.38Å; S103-F107 PolarHBondContact O-N 3.22Å
104L95.9Very high94.5Very high84 Ų8483.6 Ų83.644%0.4447%0.467SS..Hα-helixtrans-68.5-41.9178.6-168.465.9000111.2L100 L101 S102 F107 F108L100-L104 WeakPolarHBondContact O-CB 3.48Å; L100-L104 PolarHBondContact O-N 3.2Å; L101-L104 PolarHBondContact O-N 2.76Å; S102-L104 VanDerWaalsContact C-N 3.29Å; S102-L104 PolarHBondContact O-N 2.87Å; L104-F107 PolarHBondContact O-N 2.87Å; L104-F108 HydrophobicContact CD1-CD2 3.85Å; L104-F108 HydrophobicContact CD1-CE2 3.23Å; L104-F108 HydrophobicContact CD1-CZ 3.94Å; L104-F108 HydrophobicContact CD2-CE2 4Å; L104-F108 HydrophobicContact CG-CD2 3.69Å; L104-F108 HydrophobicContact CG-CE2 3.4Å; L104-F108 VanDerWaalsContact CG-CE2 3.4Å; L104-F108 WeakPolarHBondContact O-CD2 3.37Å; L104-F108 PolarHBondContact O-N 2.91Å
105A94.6Very high94.4Very high47 Ų4783.4 Ų83.439%0.38846%0.46SS..Hα-helixtrans-59.9-46.3174.200000111.3L101 S102 F108 L109L101-A105 WeakPolarHBondContact O-CB 3.18Å; L101-A105 PolarHBondContact O-N 2.93Å; S102-A105 PolarHBondContact O-N 2.84Å; A105-F108 PolarHBondContact O-N 2.82Å; A105-L109 VanDerWaalsContact O-CB 3.24Å; A105-L109 WeakPolarHBondContact O-CB 3.45Å; A105-L109 VanDerWaalsContact O-CG 3.29Å; A105-L109 WeakPolarHBondContact O-CG 3.47Å; A105-L109 PolarHBondContact O-N 2.78Å
106V93.8Very high94.2Very high90 Ų9080.4 Ų80.455%0.54544%0.442SS..Hα-helixtrans-62.4-47.5175.3174.70000110.5S102 S103 F108 L109 F110S102-V106 WeakPolarHBondContact O-CG2 3.36Å; S102-V106 PolarHBondContact O-N 2.81Å; S103-V106 PolarHBondContact O-N 2.86Å; V106-F108 VanDerWaalsContact C-N 3.3Å; V106-F108 PolarHBondContact O-N 3.3Å; V106-L109 PolarHBondContact O-N 3.37Å; V106-F110 HydrophobicContact CG1-CB 4.41Å; V106-F110 WeakPolarHBondContact O-CA 3.44Å; V106-F110 WeakPolarHBondContact O-CB 3.37Å; V106-F110 PolarHBondContact O-N 3.18Å
107F93.8Very high94Very high103 Ų10378.8 Ų78.845%0.45244%0.435SS..Hα-helixtrans-58.2-39-179.3177.4-96.4000113.7S103 L104 Y150S103-F107 WeakPolarHBondContact O-CB 3.38Å; S103-F107 PolarHBondContact O-N 3.22Å; L104-F107 PolarHBondContact O-N 2.87Å; F107-Y150 HydrophobicContact CD1-CE2 4.34Å; F107-Y150 AromaticContact CE1-CE2 3.74Å; F107-Y150 HydrophobicContact CE1-CE2 3.74Å; F107-Y150 AromaticContact CE1-CZ 3.84Å; F107-Y150 HydrophobicContact CZ-CE2 4.14Å
108F93.1Very high93.7Very high86 Ų8675 Ų7538%0.37742%0.415SS..Hα-helixtrans-82.5-33.1180-73-56.5000114.1L104 A105 V106 Y150L104-F108 HydrophobicContact CD1-CD2 3.85Å; L104-F108 HydrophobicContact CD1-CE2 3.23Å; L104-F108 HydrophobicContact CD1-CZ 3.94Å; L104-F108 HydrophobicContact CD2-CE2 4Å; L104-F108 HydrophobicContact CG-CD2 3.69Å; L104-F108 HydrophobicContact CG-CE2 3.4Å; L104-F108 VanDerWaalsContact CG-CE2 3.4Å; L104-F108 WeakPolarHBondContact O-CD2 3.37Å; L104-F108 PolarHBondContact O-N 2.91Å; A105-F108 PolarHBondContact O-N 2.82Å; V106-F108 VanDerWaalsContact C-N 3.3Å; V106-F108 PolarHBondContact O-N 3.3Å; F108-Y150 HydrophobicContact CD1-CD1 4.05Å; F108-Y150 AromaticContact CD1-CD2 3.76Å; F108-Y150 HydrophobicContact CD1-CD2 3.76Å; F108-Y150 HydrophobicContact CD1-CE1 4.48Å; F108-Y150 HydrophobicContact CD1-CE2 4.2Å; F108-Y150 AromaticContact CD1-CG 3.67Å; F108-Y150 HydrophobicContact CD1-CG 3.67Å; F108-Y150 HydrophobicContact CE1-CD1 4.15Å; F108-Y150 HydrophobicContact CE1-CD2 4.47Å; F108-Y150 HydrophobicContact CE1-CE1 4.3Å; F108-Y150 HydrophobicContact CE1-CG 4.24Å
109L91.1Very high93.4Very high100 Ų10075.8 Ų75.852%0.52442%0.417SS..Hα-helixtrans-94.6-19.4-175.6-62.5175.5000113.4A105 V106 F230A105-L109 VanDerWaalsContact O-CB 3.24Å; A105-L109 WeakPolarHBondContact O-CB 3.45Å; A105-L109 VanDerWaalsContact O-CG 3.29Å; A105-L109 WeakPolarHBondContact O-CG 3.47Å; A105-L109 PolarHBondContact O-N 2.78Å; V106-L109 PolarHBondContact O-N 3.37Å; L109-F230 HydrophobicContact CD2-CE2 4.21Å; L109-F230 HydrophobicContact CD2-CZ 3.8Å
110F91.4Very high92.8Very high139 Ų13971.3 Ų71.361%0.6140%0.398SS*.SBendtrans-63.6126.1178.6-166.7-95.2000109.7V106 R112V106-F110 HydrophobicContact CG1-CB 4.41Å; V106-F110 WeakPolarHBondContact O-CA 3.44Å; V106-F110 WeakPolarHBondContact O-CB 3.37Å; V106-F110 PolarHBondContact O-N 3.18Å; F110-R112 PolarHBondContact O-N 3.45Å
111P90.4Very high92.5Very high60 Ų6067.7 Ų67.739%0.3938%0.38SS..PPolyproline II helixtrans-64.2126.3-174.326-33.4000110.7Y151 Y229P111-Y151 WeakPolarHBondContact CA-OH 3.5Å; P111-Y229 HydrophobicContact CB-CE2 4.08Å
112R91.8Very high92.2Very high91 Ų9167.5 Ų67.534%0.34338%0.375SS..PPolyproline II helixtrans-97.7159.4168.2-68.9-174.2173.6-174.42.7109.6F110 N148 N149 Y150F110-R112 PolarHBondContact O-N 3.45Å; R112-N148 HydrophobicContact CB-CB 4.41Å; R112-N148 VanDerWaalsContact CD-O 3.25Å; R112-N148 WeakPolarHBondContact CD-O 3.41Å; R112-N149 PolarHBondContact N-OD1 2.77Å; R112-N149 PolarHBondContact O-ND2 2.9Å; R112-N149 PolarHBondContact O-OD1 3.13Å; R112-Y150 PolarHBondContact NH1-OH 2.92Å; R112-Y150 PolarHBondContact NH2-OH 2.79Å; R112-Y150 VanDerWaalsContact NH2-OH 3.14Å
113S89.1Confident92Very high73 Ų7365.1 Ų65.151%0.5136%0.358SS..PPolyproline II helixtrans-59.7145.7178.963.90000111.7D115 N148S113-D115 PolarHBondContact OG-OD1 3.08Å; S113-D115 VanDerWaalsContact OG-OD1 3.11Å; S113-N148 WeakPolarHBondContact O-CB 3.49Å
114I93Very high91.9Very high13 Ų1361.9 Ų61.97%0.06734%0.335CS..EExtended strand (participates in β ladder)trans-103.6118166.7-61.4158000105.5I145 V153 A227 Y229 I236I114-I145 HydrophobicContact CG2-CG2 3.89Å; I114-V153 HydrophobicContact CD1-CG1 3.86Å; I114-V153 HydrophobicContact CD1-CG2 4.31Å; I114-A227 HydrophobicContact CD1-CB 3.68Å; I114-Y229 HydrophobicContact CD1-CD1 4.49Å; I114-Y229 HydrophobicContact CD1-CE1 4.31Å; I114-I236 HydrophobicContact CB-CD1 3.67Å; I114-I236 HydrophobicContact CD1-CD1 4.22Å; I114-I236 HydrophobicContact CG2-CD1 4.06Å
115D93.2Very high91.8Very high74 Ų7463.5 Ų63.540%0.39634%0.337SS..EExtended strand (participates in β ladder)trans-92.2125.1-175.1-57.6-28.9000109.3S113 T146 N148S113-D115 PolarHBondContact OG-OD1 3.08Å; S113-D115 VanDerWaalsContact OG-OD1 3.11Å; D115-T146 PolarHBondContact N-O 3.03Å; D115-T146 PolarHBondContact O-N 3.24Å; D115-N148 PolarHBondContact OD2-ND2 2.87Å
116V93.3Very high91.8Very high17 Ų1762 Ų6210%0.10332%0.323CS..EExtended strand (participates in β ladder)trans-115123.9178.6177.70000107.4L143 I225 I236 E238V116-L143 HydrophobicContact CG1-CD1 4.11Å; V116-L143 HydrophobicContact CG1-CD2 4.09Å; V116-L143 HydrophobicContact CG1-CG 4.23Å; V116-I225 HydrophobicContact CB-CD1 4.28Å; V116-I225 HydrophobicContact CG1-CD1 3.47Å; V116-I225 VanDerWaalsContact CG1-CD1 3.47Å; V116-I225 HydrophobicContact CG2-CD1 3.75Å; V116-I236 HydrophobicContact CB-CG2 4.18Å; V116-I236 HydrophobicContact CG2-CB 4.34Å; V116-I236 HydrophobicContact CG2-CG2 3.76Å; V116-E238 HydrophobicContact CG1-CB 4.22Å
117S92.6Very high91.8Very high48 Ų4860.7 Ų60.734%0.33632%0.318SS..EExtended strand (participates in β ladder)trans-135.8139.4177.854.20000110.5N144S117-N144 PolarHBondContact N-O 2.95Å; S117-N144 PolarHBondContact O-N 3.03Å; S117-N144 PolarHBondContact OG-O 2.89Å
118N90.4Very high91.7Very high23 Ų2359.6 Ų59.612%0.12331%0.311CS..EExtended strand (participates in β ladder)trans-87.4121.8173.7-160.9-30.7000109.4G120 T142 Y190 M240N118-G120 VanDerWaalsContact C-N 3.29Å; N118-G120 WeakPolarHBondContact OD1-CA 3.24Å; N118-G120 PolarHBondContact OD1-N 3.12Å; N118-T142 PolarHBondContact OD1-O 3.3Å; N118-Y190 PolarHBondContact ND2-OH 2.74Å; N118-M240 HydrophobicContact CB-CB 4.27Å; N118-M240 HydrophobicContact CB-CG 4.46Å
119V89.1Confident91.7Very high89 Ų8957.5 Ų57.554%0.53930%0.304SS..EExtended strand (participates in β ladder)trans-76.3-25.8177.6-174.70000110.5T142 N144V119-T142 HydrophobicContact CB-CG2 4.32Å; V119-T142 WeakPolarHBondContact CB-O 3.46Å; V119-T142 HydrophobicContact CG2-CG2 4.21Å; V119-T142 PolarHBondContact N-O 2.83Å; V119-N144 HydrophobicContact CG2-CB 3.7Å
120G86Confident91.7Very high19 Ų1958.9 Ų58.920%0.19631%0.311CS..EExtended strand (participates in β ladder)trans124.2-168.8176.300000113.7N118 K122 N141 T142N118-G120 VanDerWaalsContact C-N 3.29Å; N118-G120 WeakPolarHBondContact OD1-CA 3.24Å; N118-G120 PolarHBondContact OD1-N 3.12Å; G120-K122 PolarHBondContact O-N 2.97Å; G120-N141 WeakPolarHBondContact O-CA 3.3Å; G120-T142 PolarHBondContact O-N 2.84Å; G120-T142 VanDerWaalsContact O-N 3.08Å
121V90.4Very high91.6Very high25 Ų2559.6 Ų59.615%0.15232%0.321CS..EExtended strand (participates in β ladder)trans-71.3118.9-179.8-173.70000110.4V124 I139 N141 Q242V121-V124 HydrophobicContact CG1-CG2 3.51Å; V121-I139 HydrophobicContact CG1-CG2 4.32Å; V121-N141 WeakPolarHBondContact CA-OD1 3.16Å; V121-Q242 HydrophobicContact CG2-CB 4.05Å; V121-Q242 HydrophobicContact CG2-CG 3.97Å
122K90.9Very high91.7Very high102 Ų10262.3 Ų62.344%0.44333%0.328SS..EExtended strand (participates in β ladder)trans-80.2-48.7172.3-172.6177.8-174.9-179.70111.2G120 T140 D189 T251G120-K122 PolarHBondContact O-N 2.97Å; K122-T140 WeakPolarHBondContact CA-O 3.38Å; K122-T140 HydrophobicContact CB-CG2 4.32Å; K122-T140 WeakPolarHBondContact CB-O 3.44Å; K122-T140 HydrophobicContact CD-CG2 4.39Å; K122-T140 PolarHBondContact N-O 2.84Å; K122-D189 IonicContact NZ-OD1 2.58Å; K122-D189 IonicContact NZ-OD2 3.64Å; K122-D189 PolarHBondContact NZ-OD2 3.02Å; K122-T251 CarbonylContact O-C 3.57Å
123S92.6Very high91.7Very high15 Ų1561.9 Ų61.911%0.10533%0.33CS..EExtended strand (participates in β ladder)trans-159.4155.3179.259.90000112.1T140S123-T140 PolarHBondContact N-O 3.47Å; S123-T140 PolarHBondContact O-N 2.83Å; S123-T140 WeakPolarHBondContact OG-CB 3.39Å
124V93.1Very high92Very high1 Ų159.2 Ų59.21%0.00631%0.31CS..EExtended strand (participates in β ladder)trans-132.2123.1175.9-171.20000108.6V121 V126 L137 N138 I139 V244 T250V121-V124 HydrophobicContact CG1-CG2 3.51Å; V124-V126 HydrophobicContact CG1-CG2 4.11Å; V124-L137 HydrophobicContact CG1-CB 4.26Å; V124-N138 WeakPolarHBondContact CA-O 3.47Å; V124-I139 HydrophobicContact CG1-CG1 4.35Å; V124-V244 HydrophobicContact CB-CG1 4.13Å; V124-V244 HydrophobicContact CG1-CG1 3.67Å; V124-V244 HydrophobicContact CG2-CG1 3.36Å; V124-T250 HydrophobicContact CB-CG2 3.87Å; V124-T250 HydrophobicContact CG2-CG2 4.02Å; V124-T250 PolarHBondContact N-O 2.84Å; V124-T250 PolarHBondContact O-N 3.39Å
125Y94.2Very high92.1Very high119 Ų11958.6 Ų58.647%0.46731%0.307SS..EExtended strand (participates in β ladder)trans-103.8132.7169.4-65-84.2000109.6L137 N138Y125-L137 CarbonylContact O-C 3.58Å; Y125-L137 VanDerWaalsContact O-CA 3.3Å; Y125-L137 WeakPolarHBondContact O-CA 3.5Å; Y125-N138 PolarHBondContact N-O 2.83Å; Y125-N138 VanDerWaalsContact N-O 3.12Å; Y125-N138 PolarHBondContact O-N 2.8Å
126V93.9Very high92.2Very high16 Ų1659 Ų5910%0.09730%0.303CS..EExtended strand (participates in β ladder)trans-117.8133.3-174.1-175.70000109.1V124 Y128 V135 Y136 L137 C246 G248 N249V124-V126 HydrophobicContact CG1-CG2 4.11Å; V126-Y128 HydrophobicContact CG1-CE1 3.8Å; V126-Y128 HydrophobicContact CG1-CE2 3.79Å; V126-Y128 WeakPolarHBondContact CG1-OH 3.25Å; V126-V135 HydrophobicContact CG1-CG1 4.24Å; V126-Y136 WeakPolarHBondContact CA-O 3.41Å; V126-L137 HydrophobicContact CB-CD2 4.12Å; V126-L137 HydrophobicContact CG1-CD2 3.81Å; V126-L137 HydrophobicContact CG2-CD2 3.65Å; V126-C246 WeakPolarHBondContact CG1-O 3.36Å; V126-G248 WeakPolarHBondContact CG2-O 3.44Å; V126-N249 PolarHBondContact N-OD1 2.81Å; V126-N249 PolarHBondContact O-OD1 3.28Å
127S93.8Very high92.2Very high62 Ų6258.1 Ų58.143%0.43430%0.298SS..EExtended strand (participates in β ladder)trans-140.9154.116954.30000110.8Y136S127-Y136 PolarHBondContact N-O 3.11Å; S127-Y136 PolarHBondContact O-N 2.82Å; S127-Y136 WeakPolarHBondContact OG-CB 3.33Å
128Y93.3Very high92.4Very high79 Ų7958.7 Ų58.731%0.3130%0.298SS..EExtended strand (participates in β ladder)trans-124.8146.4-171.5-55.7-77.8000111.3V126 V135 Y204 C207 T208 C246 G247V126-Y128 HydrophobicContact CG1-CE1 3.8Å; V126-Y128 HydrophobicContact CG1-CE2 3.79Å; V126-Y128 WeakPolarHBondContact CG1-OH 3.25Å; Y128-V135 HydrophobicContact CD1-CB 4.4Å; Y128-V135 HydrophobicContact CD1-CG1 4.02Å; Y128-V135 HydrophobicContact CD1-CG2 4.02Å; Y128-V135 HydrophobicContact CE1-CG1 3.8Å; Y128-V135 HydrophobicContact CE1-CG2 4.16Å; Y128-Y204 HydrophobicContact CD1-CE2 4.36Å; Y128-C207 HydrophobicContact CE1-CB 4.07Å; Y128-C207 PolarHBondContact OH-O 3.37Å; Y128-T208 HydrophobicContact CD1-CG2 3.76Å; Y128-T208 HydrophobicContact CE1-CG2 3.8Å; Y128-T208 HydrophobicContact CG-CG2 4.23Å; Y128-C246 PolarHBondContact OH-O 2.76Å; Y128-G247 WeakPolarHBondContact OH-CA 3.45Å; Y128-G247 PolarHBondContact OH-O 3.35Å
129D93.3Very high92.6Very high42 Ų4257.6 Ų57.623%0.22529%0.292CS..EExtended strand (participates in β ladder)trans-112.3113.7165.3-170.3-31.4000109.2D131 Q132 H133 I134 Y136 Y204D129-D131 PolarHBondContact OD1-N 3.31Å; D129-Q132 PolarHBondContact OD1-N 2.84Å; D129-Q132 VanDerWaalsContact OD1-N 3.16Å; D129-H133 WeakPolarHBondContact O-CA 3.47Å; D129-H133 PolarHBondContact O-N 3.14Å; D129-I134 HydrophobicContact CB-CB 4.21Å; D129-I134 PolarHBondContact N-O 2.76Å; D129-I134 PolarHBondContact O-N 2.63Å; D129-Y136 HydrophobicContact CB-CE2 4.1Å; D129-Y204 WeakPolarHBondContact O-CE2 3.27Å
130L89.7Confident92.8Very high129 Ų12954.3 Ų54.368%0.67527%0.272SS*.THydrogen-bonded Turntrans-72.1-32.9-178.6-75.8130000112.6H133 Y204L130-H133 PolarHBondContact O-ND1 3.28Å; L130-Y204 WeakPolarHBondContact CD2-OH 3.3Å; L130-Y204 WeakPolarHBondContact CG-OH 3.48Å
131D90.8Very high93.1Very high154 Ų15453.4 Ų53.482%0.82426%0.262SS*.THydrogen-bonded Turntrans-76.5-40.2-174.6-66.2-30.8000110D129D129-D131 PolarHBondContact OD1-N 3.31Å
132Q91.1Very high93.2Very high117 Ų11753 Ų5355%0.54726%0.26SS..THydrogen-bonded Turntrans-97.2-5.6-176.6-57.1-161.6-37.600114.4D129 I134D129-Q132 PolarHBondContact OD1-N 2.84Å; D129-Q132 VanDerWaalsContact OD1-N 3.16Å; Q132-I134 VanDerWaalsContact C-N 3.31Å; Q132-I134 HydrophobicContact CB-CD1 3.63Å; Q132-I134 HydrophobicContact CB-CG1 3.76Å; Q132-I134 PolarHBondContact O-N 2.58Å
133H93.3Very high93.3Very high83 Ų8348.2 Ų48.238%0.38424%0.239SC..THydrogen-bonded Turntrans55.245.1-173.8-65.361.9000112.2D129 L130 Y204D129-H133 WeakPolarHBondContact O-CA 3.47Å; D129-H133 PolarHBondContact O-N 3.14Å; L130-H133 PolarHBondContact O-ND1 3.28Å; H133-Y204 VanDerWaalsContact C-CD2 3.45Å; H133-Y204 HydrophobicContact CB-CD1 3.99Å; H133-Y204 HydrophobicContact CB-CD2 4.26Å; H133-Y204 HydrophobicContact CB-CG 3.8Å; H133-Y204 AromaticContact CD2-CD1 3.41Å; H133-Y204 VanDerWaalsContact CD2-CD1 3.41Å; H133-Y204 WeakPolarHBondContact CD2-CD1 3.36Å; H133-Y204 AromaticContact CD2-CE1 3.73Å; H133-Y204 AromaticContact CG-CD1 3.92Å; H133-Y204 WeakPolarHBondContact O-CB 3.36Å
134I94.8Very high93.4Very high16 Ų1648.6 Ų48.68%0.08224%0.24CC..EExtended strand (participates in β ladder)trans-108.8138.7-178.4-61.6176.1000109.9D129 Q132 Y136 V195D129-I134 HydrophobicContact CB-CB 4.21Å; D129-I134 PolarHBondContact N-O 2.76Å; D129-I134 PolarHBondContact O-N 2.63Å; Q132-I134 VanDerWaalsContact C-N 3.31Å; Q132-I134 HydrophobicContact CB-CD1 3.63Å; Q132-I134 HydrophobicContact CB-CG1 3.76Å; Q132-I134 PolarHBondContact O-N 2.58Å; I134-Y136 HydrophobicContact CB-CE2 4.34Å; I134-Y136 HydrophobicContact CG2-CD1 4.42Å; I134-Y136 HydrophobicContact CG2-CD2 4.26Å; I134-Y136 HydrophobicContact CG2-CE1 3.99Å; I134-Y136 HydrophobicContact CG2-CE2 3.84Å; I134-V195 HydrophobicContact CG2-CG1 3.51Å
135V94.4Very high93.5Very high0 Ų048.5 Ų48.50%024%0.24CC..EExtended strand (participates in β ladder)trans-109.1123.4172.1-171.70000109.2V126 Y128 L137 I196 Y204 C207V126-V135 HydrophobicContact CG1-CG1 4.24Å; Y128-V135 HydrophobicContact CD1-CB 4.4Å; Y128-V135 HydrophobicContact CD1-CG1 4.02Å; Y128-V135 HydrophobicContact CD1-CG2 4.02Å; Y128-V135 HydrophobicContact CE1-CG1 3.8Å; Y128-V135 HydrophobicContact CE1-CG2 4.16Å; V135-L137 HydrophobicContact CG1-CD2 3.77Å; V135-L137 HydrophobicContact CG1-CG 4.21Å; V135-I196 HydrophobicContact CB-CB 4.26Å; V135-I196 PolarHBondContact N-O 3.3Å; V135-I196 PolarHBondContact O-N 3Å; V135-Y204 HydrophobicContact CG2-CD2 4.07Å; V135-C207 HydrophobicContact CG2-CB 4.15Å
136Y95.1Very high93.5Very high82 Ų8244.4 Ų44.432%0.32223%0.227SC..EExtended strand (participates in β ladder)trans-101.9126.2173.9-61.8-80.1000109.4V126 S127 D129 I134 T194 V195V126-Y136 WeakPolarHBondContact CA-O 3.41Å; S127-Y136 PolarHBondContact N-O 3.11Å; S127-Y136 PolarHBondContact O-N 2.82Å; S127-Y136 WeakPolarHBondContact OG-CB 3.33Å; D129-Y136 HydrophobicContact CB-CE2 4.1Å; I134-Y136 HydrophobicContact CB-CE2 4.34Å; I134-Y136 HydrophobicContact CG2-CD1 4.42Å; I134-Y136 HydrophobicContact CG2-CD2 4.26Å; I134-Y136 HydrophobicContact CG2-CE1 3.99Å; I134-Y136 HydrophobicContact CG2-CE2 3.84Å; Y136-T194 WeakPolarHBondContact CA-O 3.37Å; Y136-V195 HydrophobicContact CD1-CB 4.44Å; Y136-V195 HydrophobicContact CD1-CG1 4.1Å; Y136-V195 HydrophobicContact CD1-CG2 3.86Å; Y136-V195 HydrophobicContact CE1-CG1 3.83Å; Y136-V195 HydrophobicContact CE1-CG2 3.96Å
137L94.5Very high93.6Very high0 Ų043.7 Ų43.70%022%0.223CC..EExtended strand (participates in β ladder)trans-123.6125.9174.4-38.1161.8000110.2V124 Y125 V126 V135 I139 T194 I196 I217 C246V124-L137 HydrophobicContact CG1-CB 4.26Å; Y125-L137 CarbonylContact O-C 3.58Å; Y125-L137 VanDerWaalsContact O-CA 3.3Å; Y125-L137 WeakPolarHBondContact O-CA 3.5Å; V126-L137 HydrophobicContact CB-CD2 4.12Å; V126-L137 HydrophobicContact CG1-CD2 3.81Å; V126-L137 HydrophobicContact CG2-CD2 3.65Å; V135-L137 HydrophobicContact CG1-CD2 3.77Å; V135-L137 HydrophobicContact CG1-CG 4.21Å; L137-I139 HydrophobicContact CB-CG1 4.15Å; L137-T194 VanDerWaalsContact CB-OG1 3.24Å; L137-T194 WeakPolarHBondContact CB-OG1 3.41Å; L137-T194 PolarHBondContact N-O 2.82Å; L137-T194 WeakPolarHBondContact O-CA 3.46Å; L137-T194 WeakPolarHBondContact O-CB 3.41Å; L137-T194 PolarHBondContact O-N 2.95Å; L137-T194 PolarHBondContact O-OG1 2.9Å; L137-I196 HydrophobicContact CD1-CD1 3.63Å; L137-I196 HydrophobicContact CD1-CG1 4.42Å; L137-I217 HydrophobicContact CD1-CD1 4Å; L137-C246 HydrophobicContact CD1-CB 4.28Å; L137-C246 HydrophobicContact CD2-CB 3.98Å
138N95.3Very high93.6Very high60 Ų6043 Ų4332%0.32121%0.214SC..EExtended strand (participates in β ladder)trans-99.198.7168.7-69.9-24.5000108.8V124 Y125 M191 P193V124-N138 WeakPolarHBondContact CA-O 3.47Å; Y125-N138 PolarHBondContact N-O 2.83Å; Y125-N138 VanDerWaalsContact N-O 3.12Å; Y125-N138 PolarHBondContact O-N 2.8Å; N138-M191 HydrophobicContact CB-CG 4.3Å; N138-M191 HydrophobicContact CB-SD 4.01Å; N138-P193 WeakPolarHBondContact OD1-CA 3.47Å
139I94.4Very high93.7Very high0 Ų039.2 Ų39.20%020%0.199CC..EExtended strand (participates in β ladder)trans-92.3115.2-176.3-53.2175.2000108.1V121 V124 L137 V162 M191 V192 T194 V219 V244V121-I139 HydrophobicContact CG1-CG2 4.32Å; V124-I139 HydrophobicContact CG1-CG1 4.35Å; L137-I139 HydrophobicContact CB-CG1 4.15Å; I139-V162 HydrophobicContact CD1-CG1 4.15Å; I139-M191 CarbonylContact O-C 3.56Å; I139-M191 WeakPolarHBondContact O-CA 3.34Å; I139-V192 PolarHBondContact N-O 3.48Å; I139-V192 PolarHBondContact O-N 2.79Å; I139-T194 HydrophobicContact CD1-CG2 3.9Å; I139-T194 HydrophobicContact CG1-CG2 4.3Å; I139-V219 HydrophobicContact CD1-CG2 4.43Å; I139-V244 HydrophobicContact CD1-CG1 3.94Å; I139-V244 HydrophobicContact CD1-CG2 4.24Å; I139-V244 HydrophobicContact CG1-CG1 4.05Å
140T94.1Very high93.7Very high19 Ų1940.9 Ų40.912%0.11720%0.203CC..EExtended strand (participates in β ladder)trans-101122.4173.8-52.60000109K122 S123 D189 Y190K122-T140 WeakPolarHBondContact CA-O 3.38Å; K122-T140 HydrophobicContact CB-CG2 4.32Å; K122-T140 WeakPolarHBondContact CB-O 3.44Å; K122-T140 HydrophobicContact CD-CG2 4.39Å; K122-T140 PolarHBondContact N-O 2.84Å; S123-T140 PolarHBondContact N-O 3.47Å; S123-T140 PolarHBondContact O-N 2.83Å; S123-T140 WeakPolarHBondContact OG-CB 3.39Å; T140-D189 HydrophobicContact CG2-CB 4.36Å; T140-Y190 WeakPolarHBondContact CA-O 3.47Å
141N92.8Very high93.9Very high0 Ų035.9 Ų35.90%018%0.175CC..EExtended strand (participates in β ladder)trans-118154.2178.2-60.1-51.5000110.4G120 V121 D189 Y190 Q242G120-N141 WeakPolarHBondContact O-CA 3.3Å; V121-N141 WeakPolarHBondContact CA-OD1 3.16Å; N141-D189 WeakPolarHBondContact O-CA 3.41Å; N141-Y190 HydrophobicContact CB-CD1 4.33Å; N141-Y190 HydrophobicContact CB-CE1 3.65Å; N141-Y190 HydrophobicContact CB-CE2 3.99Å; N141-Y190 VanDerWaalsContact CB-CZ 3.46Å; N141-Y190 WeakPolarHBondContact CB-OH 3.48Å; N141-Y190 PolarHBondContact N-O 2.95Å; N141-Y190 PolarHBondContact O-N 2.79Å; N141-Q242 PolarHBondContact ND2-NE2 3.47Å; N141-Q242 PolarHBondContact OD1-NE2 2.88Å; N141-Q242 PolarHBondContact OD1-OE1 2.81Å
142T93.1Very high94.1Very high17 Ų1731.3 Ų31.310%0.10416%0.155CC..EExtended strand (participates in β ladder)trans-105.5121.8175.4-60.20000109.9N118 V119 G120 Q187 D189N118-T142 PolarHBondContact OD1-O 3.3Å; V119-T142 HydrophobicContact CB-CG2 4.32Å; V119-T142 WeakPolarHBondContact CB-O 3.46Å; V119-T142 HydrophobicContact CG2-CG2 4.21Å; V119-T142 PolarHBondContact N-O 2.83Å; G120-T142 PolarHBondContact O-N 2.84Å; G120-T142 VanDerWaalsContact O-N 3.08Å; T142-Q187 HydrophobicContact CG2-CB 4.21Å; T142-Q187 HydrophobicContact CG2-CG 4.49Å; T142-D189 WeakPolarHBondContact CB-OD1 3.38Å; T142-D189 WeakPolarHBondContact CG2-OD1 3.48Å; T142-D189 PolarHBondContact OG1-OD1 2.85Å
143L92.8Very high94.3Very high1 Ų125.8 Ų25.81%0.00513%0.13CC..EExtended strand (participates in β ladder)trans-101134.1177.1-160.394.6000110V116 I145 Q187 I188 Y190 V223 I225V116-L143 HydrophobicContact CG1-CD1 4.11Å; V116-L143 HydrophobicContact CG1-CD2 4.09Å; V116-L143 HydrophobicContact CG1-CG 4.23Å; L143-I145 HydrophobicContact CD2-CD1 3.68Å; L143-I145 HydrophobicContact CD2-CG1 3.49Å; L143-I145 VanDerWaalsContact CD2-CG1 3.49Å; L143-I145 HydrophobicContact CG-CG1 4.39Å; L143-Q187 CarbonylContact O-C 3.58Å; L143-Q187 VanDerWaalsContact O-CA 3.26Å; L143-Q187 WeakPolarHBondContact O-CA 3.22Å; L143-I188 WeakPolarHBondContact CB-O 3.21Å; L143-I188 PolarHBondContact N-O 2.99Å; L143-I188 PolarHBondContact O-N 2.81Å; L143-Y190 HydrophobicContact CB-CD1 3.98Å; L143-Y190 HydrophobicContact CB-CE1 3.84Å; L143-Y190 HydrophobicContact CD1-CE1 3.84Å; L143-Y190 HydrophobicContact CG-CE1 4.46Å; L143-V223 HydrophobicContact CD1-CB 4.29Å; L143-V223 HydrophobicContact CD1-CG1 3.98Å; L143-V223 HydrophobicContact CD1-CG2 4.23Å; L143-I225 HydrophobicContact CD2-CD1 3.18Å; L143-I225 HydrophobicContact CD2-CG1 4.31Å; L143-I225 HydrophobicContact CG-CD1 4.39Å
144N94.4Very high94.3Very high23 Ų2326.5 Ų26.512%0.12313%0.133CC..EExtended strand (participates in β ladder)trans-110.4115.6176.2-171.625.1000110.4S117 V119 M185 Q187S117-N144 PolarHBondContact N-O 2.95Å; S117-N144 PolarHBondContact O-N 3.03Å; S117-N144 PolarHBondContact OG-O 2.89Å; V119-N144 HydrophobicContact CG2-CB 3.7Å; N144-M185 PolarHBondContact ND2-SD 2.82Å; N144-M185 WeakPolarHBondContact OD1-CG 3.4Å; N144-M185 PolarHBondContact OD1-SD 3.14Å; N144-Q187 HydrophobicContact CB-CG 4.31Å
145I94.1Very high94.1Very high0 Ų025.8 Ų25.80%013%0.13CC..EExtended strand (participates in β ladder)trans-112.2120.9-178.9-50.7178.7000108.8I114 L143 V155 I180 M185 K186 I188 I225I114-I145 HydrophobicContact CG2-CG2 3.89Å; L143-I145 HydrophobicContact CD2-CD1 3.68Å; L143-I145 HydrophobicContact CD2-CG1 3.49Å; L143-I145 VanDerWaalsContact CD2-CG1 3.49Å; L143-I145 HydrophobicContact CG-CG1 4.39Å; I145-V155 HydrophobicContact CD1-CG1 4.25Å; I145-V155 HydrophobicContact CD1-CG2 4.47Å; I145-I180 HydrophobicContact CB-CD1 3.81Å; I145-I180 HydrophobicContact CD1-CD1 4.5Å; I145-I180 HydrophobicContact CG2-CD1 3.44Å; I145-I180 VanDerWaalsContact CG2-CD1 3.44Å; I145-M185 CarbonylContact O-C 3.21Å; I145-M185 WeakPolarHBondContact O-CA 3.04Å; I145-K186 PolarHBondContact N-O 3.19Å; I145-K186 PolarHBondContact O-N 3.49Å; I145-I188 HydrophobicContact CD1-CD1 3.76Å; I145-I225 HydrophobicContact CD1-CD1 3.91Å; I145-I225 HydrophobicContact CG1-CD1 4.22Å
146T95.1Very high93.5Very high32 Ų3226.7 Ų26.720%0.19614%0.137CC..EExtended strand (participates in β ladder)trans-113122.3179.6-51.50000110.1D115 M185D115-T146 PolarHBondContact N-O 3.03Å; D115-T146 PolarHBondContact O-N 3.24Å; T146-M185 HydrophobicContact CG2-CB 4.35Å
147N95.3Very high93.3Very high1 Ų125 Ų251%0.00513%0.133CC..EExtended strand (participates in β ladder)trans-94.7106175.2179.322.7000110.1N149 Y151 I180 N181 L183 N184N147-N149 VanDerWaalsContact C-N 3.28Å; N147-N149 PolarHBondContact O-N 2.96Å; N147-N149 WeakPolarHBondContact OD1-CB 3.39Å; N147-N149 PolarHBondContact OD1-N 2.85Å; N147-N149 PolarHBondContact OD1-ND2 3.37Å; N147-N149 VanDerWaalsContact OD1-ND2 3.12Å; N147-Y151 PolarHBondContact ND2-O 3.12Å; N147-I180 HydrophobicContact CB-CB 4.3Å; N147-I180 HydrophobicContact CB-CG2 3.67Å; N147-N181 PolarHBondContact ND2-O 2.93Å; N147-N181 VanDerWaalsContact ND2-O 3.07Å; N147-L183 CarbonylContact O-C 3.55Å; N147-L183 WeakPolarHBondContact O-CA 3.36Å; N147-L183 PolarHBondContact O-N 3.36Å; N147-N184 PolarHBondContact N-O 2.92Å; N147-N184 PolarHBondContact O-N 3.17Å
148N94.4Very high93.2Very high47 Ų4725 Ų2525%0.25113%0.134SC..  trans-86.33.3176.4-61.4-35.6000113.5R112 S113 D115 L183R112-N148 HydrophobicContact CB-CB 4.41Å; R112-N148 VanDerWaalsContact CD-O 3.25Å; R112-N148 WeakPolarHBondContact CD-O 3.41Å; S113-N148 WeakPolarHBondContact O-CB 3.49Å; D115-N148 PolarHBondContact OD2-ND2 2.87Å; N148-L183 WeakPolarHBondContact O-CD2 3.43Å
149N94.6Very high93.1Very high1 Ų124.1 Ų24.11%0.00513%0.13CC..SBendtrans-78.8156.6176.9-66.3-79.3000112.2R112 N147 Y151 P182 L183R112-N149 PolarHBondContact N-OD1 2.77Å; R112-N149 PolarHBondContact O-ND2 2.9Å; R112-N149 PolarHBondContact O-OD1 3.13Å; N147-N149 VanDerWaalsContact C-N 3.28Å; N147-N149 PolarHBondContact O-N 2.96Å; N147-N149 WeakPolarHBondContact OD1-CB 3.39Å; N147-N149 PolarHBondContact OD1-N 2.85Å; N147-N149 PolarHBondContact OD1-ND2 3.37Å; N147-N149 VanDerWaalsContact OD1-ND2 3.12Å; N149-Y151 HydrophobicContact CB-CD1 4.07Å; N149-Y151 HydrophobicContact CB-CD2 4.1Å; N149-Y151 HydrophobicContact CB-CE1 3.86Å; N149-Y151 HydrophobicContact CB-CE2 3.88Å; N149-Y151 HydrophobicContact CB-CG 4.21Å; N149-Y151 PolarHBondContact O-N 3.29Å; N149-Y151 PolarHBondContact OD1-OH 3.01Å; N149-Y151 VanDerWaalsContact OD1-OH 3.13Å; N149-P182 WeakPolarHBondContact O-CA 3.25Å; N149-L183 PolarHBondContact O-N 3.04Å
150Y94.6Very high93.2Very high77 Ų7724.2 Ų24.230%0.30213%0.131SC..SBendtrans-84.95.5173.3-63.7-78.5000113.5F107 F108 R112 L183F107-Y150 HydrophobicContact CD1-CE2 4.34Å; F107-Y150 AromaticContact CE1-CE2 3.74Å; F107-Y150 HydrophobicContact CE1-CE2 3.74Å; F107-Y150 AromaticContact CE1-CZ 3.84Å; F107-Y150 HydrophobicContact CZ-CE2 4.14Å; F108-Y150 HydrophobicContact CD1-CD1 4.05Å; F108-Y150 AromaticContact CD1-CD2 3.76Å; F108-Y150 HydrophobicContact CD1-CD2 3.76Å; F108-Y150 HydrophobicContact CD1-CE1 4.48Å; F108-Y150 HydrophobicContact CD1-CE2 4.2Å; F108-Y150 AromaticContact CD1-CG 3.67Å; F108-Y150 HydrophobicContact CD1-CG 3.67Å; F108-Y150 HydrophobicContact CE1-CD1 4.15Å; F108-Y150 HydrophobicContact CE1-CD2 4.47Å; F108-Y150 HydrophobicContact CE1-CE1 4.3Å; F108-Y150 HydrophobicContact CE1-CG 4.24Å; R112-Y150 PolarHBondContact NH1-OH 2.92Å; R112-Y150 PolarHBondContact NH2-OH 2.79Å; R112-Y150 VanDerWaalsContact NH2-OH 3.14Å; Y150-L183 HydrophobicContact CD1-CD1 3.88Å; Y150-L183 HydrophobicContact CD1-CD2 4.38Å; Y150-L183 HydrophobicContact CD1-CG 4.22Å; Y150-L183 HydrophobicContact CE1-CD1 3.74Å; Y150-L183 HydrophobicContact CE1-CD2 4.3Å; Y150-L183 HydrophobicContact CE1-CG 4.38Å
151Y93.8Very high93.3Very high23 Ų2326.1 Ų26.19%0.0914%0.138CC..SBendtrans-128159.2176.651.5-95.3000110.3P111 N147 N149 V153 Y229 F230P111-Y151 WeakPolarHBondContact CA-OH 3.5Å; N147-Y151 PolarHBondContact ND2-O 3.12Å; N149-Y151 HydrophobicContact CB-CD1 4.07Å; N149-Y151 HydrophobicContact CB-CD2 4.1Å; N149-Y151 HydrophobicContact CB-CE1 3.86Å; N149-Y151 HydrophobicContact CB-CE2 3.88Å; N149-Y151 HydrophobicContact CB-CG 4.21Å; N149-Y151 PolarHBondContact O-N 3.29Å; N149-Y151 PolarHBondContact OD1-OH 3.01Å; N149-Y151 VanDerWaalsContact OD1-OH 3.13Å; Y151-V153 HydrophobicContact CD2-CG2 4.26Å; Y151-V153 HydrophobicContact CE2-CG2 4.11Å; Y151-Y229 AromaticContact CE2-CD2 3.95Å; Y151-Y229 HydrophobicContact CE2-CD2 3.95Å; Y151-Y229 AromaticContact CE2-CG 3.88Å; Y151-Y229 HydrophobicContact CE2-CG 3.88Å; Y151-F230 AromaticContact CD1-CE2 3.56Å; Y151-F230 HydrophobicContact CD1-CE2 3.56Å; Y151-F230 AromaticContact CD1-CZ 3.97Å; Y151-F230 HydrophobicContact CD1-CZ 3.97Å; Y151-F230 HydrophobicContact CD2-CD2 4.36Å; Y151-F230 AromaticContact CD2-CE2 3.7Å; Y151-F230 HydrophobicContact CD2-CE2 3.7Å; Y151-F230 HydrophobicContact CD2-CZ 4.18Å; Y151-F230 HydrophobicContact CE1-CD2 4.47Å; Y151-F230 AromaticContact CE1-CE2 3.62Å; Y151-F230 HydrophobicContact CE1-CE2 3.62Å; Y151-F230 HydrophobicContact CE1-CZ 4.46Å; Y151-F230 HydrophobicContact CE2-CD2 4.12Å; Y151-F230 AromaticContact CE2-CE2 3.77Å; Y151-F230 HydrophobicContact CE2-CE2 3.77Å; Y151-F230 AromaticContact CG-CE2 3.58Å; Y151-F230 HydrophobicContact CG-CE2 3.58Å; Y151-F230 AromaticContact CG-CZ 3.78Å; Y151-F230 HydrophobicContact CG-CZ 3.78Å; Y151-F230 AromaticContact CZ-CE2 3.7Å
152S94.4Very high93.4Very high58 Ų5826.1 Ų26.141%0.40614%0.138SC..  trans-71.5140.9178.3-59.30000110.9I180S152-I180 VanDerWaalsContact CA-O 3.3Å; S152-I180 WeakPolarHBondContact CA-O 3.36Å
153V94.5Very high93.6Very high2 Ų227.2 Ų27.21%0.01214%0.143CC..EExtended strand (participates in β ladder)trans-116.6139.5176.9177.50000108.9I114 Y151 T179 I180 A227 Y229I114-V153 HydrophobicContact CD1-CG1 3.86Å; I114-V153 HydrophobicContact CD1-CG2 4.31Å; Y151-V153 HydrophobicContact CD2-CG2 4.26Å; Y151-V153 HydrophobicContact CE2-CG2 4.11Å; V153-T179 WeakPolarHBondContact O-CA 2.94Å; V153-I180 PolarHBondContact N-O 3.02Å; V153-I180 PolarHBondContact O-N 3.47Å; V153-A227 HydrophobicContact CG1-CB 3.85Å; V153-Y229 HydrophobicContact CG1-CD1 4.34Å; V153-Y229 HydrophobicContact CG2-CD1 4.49Å
154E93.3Very high93.7Very high98 Ų9828.4 Ų28.446%0.45815%0.148SC..EExtended strand (participates in β ladder)trans-99.6129174.8-67.9178.5177.700109.9V177 T179 A227 T228E154-V177 HydrophobicContact CB-CG1 4.18Å; E154-T179 HydrophobicContact CG-CG2 4.39Å; E154-A227 CarbonylContact O-C 3.58Å; E154-A227 WeakPolarHBondContact O-CA 3.02Å; E154-T228 WeakPolarHBondContact CB-OG1 3.44Å; E154-T228 PolarHBondContact N-O 2.92Å; E154-T228 PolarHBondContact O-N 3.08Å; E154-T228 PolarHBondContact O-OG1 2.82Å
155V92.2Very high93.4Very high1 Ų130.9 Ų30.91%0.00617%0.171CC..EExtended strand (participates in β ladder)trans-108.7113.5177.6176.40000108.1I145 I158 V177 I178 I180 I225I145-V155 HydrophobicContact CD1-CG1 4.25Å; I145-V155 HydrophobicContact CD1-CG2 4.47Å; V155-I158 HydrophobicContact CG1-CD1 4.4Å; V155-I158 HydrophobicContact CG1-CG1 4.21Å; V155-V177 CarbonylContact O-C 3.52Å; V155-V177 VanDerWaalsContact O-CA 3.26Å; V155-V177 WeakPolarHBondContact O-CA 3.26Å; V155-I178 PolarHBondContact N-O 3.28Å; V155-I178 PolarHBondContact O-N 3.36Å; V155-I180 HydrophobicContact CG2-CD1 3.88Å; V155-I180 HydrophobicContact CG2-CG1 4.42Å; V155-I225 HydrophobicContact CG1-CG2 3.41Å; V155-I225 VanDerWaalsContact CG1-CG2 3.41Å
156A81.4Confident93.2Very high18 Ų1841.9 Ų41.915%0.14921%0.213CC..EExtended strand (participates in β ladder)trans-107.3-44.3-167.900000114.8S175 V177 T226A156-S175 CarbonylContact O-C 3.53Å; A156-S175 VanDerWaalsContact O-CA 3.32Å; A156-S175 WeakPolarHBondContact O-CA 3.47Å; A156-V177 HydrophobicContact CB-CG2 3.95Å; A156-T226 PolarHBondContact N-O 3.24Å
157N89.9Confident93.1Very high46 Ų4643.1 Ų43.125%0.24622%0.22CC..EExtended strand (participates in β ladder)trans-123.9116.9-175.1-68.7-56.2000110R173 I225 T226N157-R173 PolarHBondContact OD1-NH2 2.9Å; N157-I225 CarbonylContact O-C 3.52Å; N157-I225 WeakPolarHBondContact O-CA 3.21Å; N157-T226 PolarHBondContact O-N 3.19Å
158I92.3Very high93.1Very high2 Ų246.7 Ų46.71%0.0124%0.242CC..EExtended strand (participates in β ladder)trans-110.7116.7169.8-56170.5000106.9V155 R173 I174 I188 V223 T224 I225V155-I158 HydrophobicContact CG1-CD1 4.4Å; V155-I158 HydrophobicContact CG1-CG1 4.21Å; I158-R173 WeakPolarHBondContact O-CA 3.38Å; I158-I174 HydrophobicContact CB-CB 4.33Å; I158-I174 PolarHBondContact N-O 2.81Å; I158-I174 PolarHBondContact O-N 3.06Å; I158-I188 HydrophobicContact CD1-CD1 4.24Å; I158-I188 HydrophobicContact CD1-CG2 4.36Å; I158-V223 HydrophobicContact CG2-CG1 3.85Å; I158-T224 WeakPolarHBondContact CA-O 3.31Å; I158-I225 HydrophobicContact CG1-CG1 4.39Å; I158-I225 HydrophobicContact CG1-CG2 4.33Å; I158-I225 HydrophobicContact CG2-CG1 4.41Å
159T94.5Very high93.2Very high40 Ų4045.1 Ų45.125%0.24523%0.234CC..EExtended strand (participates in β ladder)trans-111124.817350.40000108.4S172 R173 V223 T224T159-S172 CarbonylContact C-O 3.57Å; T159-S172 WeakPolarHBondContact CA-O 3.43Å; T159-R173 HydrophobicContact CG2-CB 4.24Å; T159-R173 HydrophobicContact CG2-CG 3.85Å; T159-V223 CarbonylContact O-C 3.56Å; T159-V223 WeakPolarHBondContact O-CA 3.4Å; T159-T224 PolarHBondContact N-O 2.86Å; T159-T224 PolarHBondContact O-N 2.81Å; T159-T224 WeakPolarHBondContact OG1-CB 3.31Å; T159-T224 PolarHBondContact OG1-O 3.01Å
160A95.4Very high93.2Very high2 Ų245.5 Ų45.52%0.01724%0.237CC..EExtended strand (participates in β ladder)trans-121.5130.3179.100000109.7N171 S172 Y190 V192 H222 V223A160-N171 CarbonylContact O-C 3.56Å; A160-N171 WeakPolarHBondContact O-CA 3.37Å; A160-N171 PolarHBondContact O-OD1 2.84Å; A160-S172 PolarHBondContact N-O 2.87Å; A160-S172 PolarHBondContact O-N 2.88Å; A160-Y190 HydrophobicContact CB-CD2 3.53Å; A160-Y190 HydrophobicContact CB-CE2 3.44Å; A160-Y190 VanDerWaalsContact CB-CE2 3.44Å; A160-V192 HydrophobicContact CB-CG2 3.69Å; A160-H222 WeakPolarHBondContact CA-O 3.29Å; A160-V223 HydrophobicContact CB-CG2 4.14Å
161Q96.3Very high93.3Very high59 Ų5946.4 Ų46.428%0.27625%0.247SC..EExtended strand (participates in β ladder)trans-119.5139.5175.4-63.8179.512.200109.1G170 T221 H222Q161-G170 WeakPolarHBondContact CA-O 3.31Å; Q161-T221 CarbonylContact O-C 3.56Å; Q161-T221 WeakPolarHBondContact O-CA 3.24Å; Q161-H222 PolarHBondContact N-O 2.89Å; Q161-H222 PolarHBondContact O-N 3.42Å
162V96.3Very high93.4Very high0 Ų046.4 Ų46.40%025%0.251CS..EExtended strand (participates in β ladder)trans-115.4130.4173179.10000108.2I139 I169 G170 V192 T194 V219 M220 T221I139-V162 HydrophobicContact CD1-CG1 4.15Å; V162-I169 HydrophobicContact CB-CG1 4.35Å; V162-I169 HydrophobicContact CG1-CD1 3.96Å; V162-I169 HydrophobicContact CG1-CG1 3.92Å; V162-I169 WeakPolarHBondContact O-CG1 3.44Å; V162-I169 PolarHBondContact O-N 3.39Å; V162-G170 PolarHBondContact N-O 3.06Å; V162-G170 PolarHBondContact O-N 2.98Å; V162-V192 HydrophobicContact CB-CG1 4.36Å; V162-V192 HydrophobicContact CG2-CB 3.85Å; V162-V192 HydrophobicContact CG2-CG1 3.77Å; V162-V192 HydrophobicContact CG2-CG2 4.04Å; V162-T194 HydrophobicContact CB-CG2 3.77Å; V162-T194 HydrophobicContact CG1-CG2 3.99Å; V162-T194 HydrophobicContact CG2-CG2 4.02Å; V162-V219 HydrophobicContact CG1-CB 3.73Å; V162-V219 HydrophobicContact CG1-CG1 4.2Å; V162-V219 HydrophobicContact CG1-CG2 3.81Å; V162-M220 WeakPolarHBondContact CA-O 3.29Å; V162-T221 HydrophobicContact CG2-CG2 4.34Å
163Q95.6Very high93.3Very high41 Ų4151.5 Ų51.519%0.19226%0.261CS..EExtended strand (participates in β ladder)trans-121.2140.5-179.1-57.9-179.95.800110.7T167 V168 V219 M220Q163-T167 CarbonylContact C-O 3.5Å; Q163-T167 WeakPolarHBondContact CA-O 3.38Å; Q163-V168 HydrophobicContact CG-CG2 3.97Å; Q163-V219 CarbonylContact O-C 3.59Å; Q163-V219 WeakPolarHBondContact O-CA 3.4Å; Q163-M220 HydrophobicContact CB-CB 4.36Å; Q163-M220 PolarHBondContact N-O 3.48Å; Q163-M220 PolarHBondContact O-N 3.13Å
164F94.8Very high93.2Very high26 Ų2653.1 Ų53.111%0.11427%0.269CS..EExtended strand (participates in β ladder)trans-124126.5170.1179.5-100.7000108.6R166 T167 I169 L200 M203 I217 V218 V219F164-R166 PolarHBondContact O-N 3.32Å; F164-R166 VanDerWaalsContact O-N 3.12Å; F164-T167 PolarHBondContact N-O 3.07Å; F164-T167 WeakPolarHBondContact O-CB 3.47Å; F164-T167 PolarHBondContact O-N 2.86Å; F164-I169 HydrophobicContact CB-CD1 3.78Å; F164-I169 HydrophobicContact CB-CG1 4.24Å; F164-I169 HydrophobicContact CB-CG2 3.98Å; F164-L200 HydrophobicContact CD1-CD1 3.88Å; F164-L200 HydrophobicContact CD1-CD2 4Å; F164-L200 HydrophobicContact CE1-CD2 4.16Å; F164-M203 HydrophobicContact CE1-CG 4.15Å; F164-M203 HydrophobicContact CE1-SD 3.87Å; F164-M203 HydrophobicContact CZ-CG 4.45Å; F164-M203 HydrophobicContact CZ-SD 3.62Å; F164-I217 HydrophobicContact CD2-CD1 4.48Å; F164-I217 HydrophobicContact CE2-CB 4.05Å; F164-I217 HydrophobicContact CE2-CG2 4.47Å; F164-V218 WeakPolarHBondContact CD2-O 3.43Å; F164-V219 HydrophobicContact CD2-CG1 4.41Å
165A89.4Confident92.9Very high74 Ų7452.2 Ų52.261%0.61227%0.274SS*.THydrogen-bonded Turntrans50.136.6-177.400000114.8T167A165-T167 PolarHBondContact O-N 3.42Å
166R89.2Confident92.6Very high231 Ų23157.4 Ų57.487%0.87230%0.301SS*.THydrogen-bonded Turntrans72.80.9-174.7-51.2174.3-179.1-92.8-1.4115.7F164F164-R166 PolarHBondContact O-N 3.32Å; F164-R166 VanDerWaalsContact O-N 3.12Å
167T93.5Very high92.8Very high58 Ų5860.8 Ų60.836%0.35632%0.32SS..EExtended strand (participates in β ladder)trans-91.7130.1172.2-56.30000109.4Q163 F164 A165 I169Q163-T167 CarbonylContact C-O 3.5Å; Q163-T167 WeakPolarHBondContact CA-O 3.38Å; F164-T167 PolarHBondContact N-O 3.07Å; F164-T167 WeakPolarHBondContact O-CB 3.47Å; F164-T167 PolarHBondContact O-N 2.86Å; A165-T167 PolarHBondContact O-N 3.42Å; T167-I169 PolarHBondContact O-N 2.98Å
168V95.5Very high92.9Very high77 Ų7760 Ų6047%0.46732%0.316SS..EExtended strand (participates in β ladder)trans-73113175.3-178.10000108.6Q163Q163-V168 HydrophobicContact CG-CG2 3.97Å
169I95.4Very high93Very high14 Ų1463.2 Ų63.27%0.07234%0.335CS..EExtended strand (participates in β ladder)trans-101.6-10.1-178.957.1163.6000112.7V162 F164 T167 T194 V195 I196 L200 V219V162-I169 HydrophobicContact CB-CG1 4.35Å; V162-I169 HydrophobicContact CG1-CD1 3.96Å; V162-I169 HydrophobicContact CG1-CG1 3.92Å; V162-I169 WeakPolarHBondContact O-CG1 3.44Å; V162-I169 PolarHBondContact O-N 3.39Å; F164-I169 HydrophobicContact CB-CD1 3.78Å; F164-I169 HydrophobicContact CB-CG1 4.24Å; F164-I169 HydrophobicContact CB-CG2 3.98Å; T167-I169 PolarHBondContact O-N 2.98Å; I169-T194 CarbonylContact O-C 3.56Å; I169-T194 VanDerWaalsContact O-CA 3.25Å; I169-T194 WeakPolarHBondContact O-CA 3.32Å; I169-V195 WeakPolarHBondContact CB-O 3.41Å; I169-V195 PolarHBondContact O-N 3.29Å; I169-I196 HydrophobicContact CD1-CD1 4.3Å; I169-I196 HydrophobicContact CD1-CG1 4.01Å; I169-L200 HydrophobicContact CG2-CD1 3.63Å; I169-V219 HydrophobicContact CD1-CG1 4.3Å
170G95.6Very high93Very high8 Ų861.5 Ų61.58%0.08233%0.325CS..EExtended strand (participates in β ladder)trans-164.1152.2174.900000113Q161 V162 P193Q161-G170 WeakPolarHBondContact CA-O 3.31Å; V162-G170 PolarHBondContact N-O 3.06Å; V162-G170 PolarHBondContact O-N 2.98Å; G170-P193 WeakPolarHBondContact CA-O 3.27Å
171N96.1Very high93Very high96 Ų9665.7 Ų65.751%0.51335%0.347SS..EExtended strand (participates in β ladder)trans-142.7138.9178-174.47.4000109A160A160-N171 CarbonylContact O-C 3.56Å; A160-N171 WeakPolarHBondContact O-CA 3.37Å; A160-N171 PolarHBondContact O-OD1 2.84Å
172S95.1Very high92.9Very high23 Ų2365.6 Ų65.616%0.16135%0.351CS..EExtended strand (participates in β ladder)trans-141.4138.8177.7-172.90000109.6T159 A160 M191T159-S172 CarbonylContact C-O 3.57Å; T159-S172 WeakPolarHBondContact CA-O 3.43Å; A160-S172 PolarHBondContact N-O 2.87Å; A160-S172 PolarHBondContact O-N 2.88Å; S172-M191 VanDerWaalsContact CB-O 3.27Å; S172-M191 WeakPolarHBondContact CB-O 3.41Å; S172-M191 PolarHBondContact OG-O 3.27Å
173R94.3Very high92.8Very high166 Ų16670.5 Ų70.563%0.62638%0.377SS*.EExtended strand (participates in β ladder)trans-126.3125.1175.4-177.9174.9178.4-143.3-3109.7N157 I158 T159N157-R173 PolarHBondContact OD1-NH2 2.9Å; I158-R173 WeakPolarHBondContact O-CA 3.38Å; T159-R173 HydrophobicContact CG2-CB 4.24Å; T159-R173 HydrophobicContact CG2-CG 3.85Å
174I91Very high92.8Very high35 Ų3572.3 Ų72.318%0.17939%0.388CS..EExtended strand (participates in β ladder)trans-112120.5174.8-60.3161.7000107.1I158 N176I158-I174 HydrophobicContact CB-CB 4.33Å; I158-I174 PolarHBondContact N-O 2.81Å; I158-I174 PolarHBondContact O-N 3.06Å; I174-N176 HydrophobicContact CG2-CB 4.1Å
175S87.3Confident92.8Very high79 Ų7975.5 Ų75.555%0.55240%0.404SS*.  trans-107.824.6-178.460.60000112.9A156A156-S175 CarbonylContact O-C 3.53Å; A156-S175 VanDerWaalsContact O-CA 3.32Å; A156-S175 WeakPolarHBondContact O-CA 3.47Å
176N86.8Confident92.9Very high110 Ų11076.4 Ų76.459%0.58839%0.394SS*.  trans-80.8122.8178.8-72.5-31.5000109.7I174 I178I174-N176 HydrophobicContact CG2-CB 4.1Å; N176-I178 PolarHBondContact O-N 2.96Å
177V85.6Confident93.1Very high90 Ų9070.8 Ų70.855%0.54538%0.378SS..  trans-77.2121.6175.6-173.90000109.9E154 V155 A156E154-V177 HydrophobicContact CB-CG1 4.18Å; V155-V177 CarbonylContact O-C 3.52Å; V155-V177 VanDerWaalsContact O-CA 3.26Å; V155-V177 WeakPolarHBondContact O-CA 3.26Å; A156-V177 HydrophobicContact CB-CG2 3.95Å
178I91.7Very high93.1Very high30 Ų3069 Ų6915%0.15437%0.366CS..EExtended strand (participates in β ladder)trans-123.9119.6-178.2-57.7167.7000108.9V155 N176 K186 I188V155-I178 PolarHBondContact N-O 3.28Å; V155-I178 PolarHBondContact O-N 3.36Å; N176-I178 PolarHBondContact O-N 2.96Å; I178-K186 HydrophobicContact CG2-CD 3.68Å; I178-I188 HydrophobicContact CD1-CD1 3.37Å; I178-I188 HydrophobicContact CD1-CG1 3.88Å; I178-I188 HydrophobicContact CD1-CG2 4.38Å
179T93.2Very high92.9Very high68 Ų6868.7 Ų68.742%0.41736%0.362SS..EExtended strand (participates in β ladder)trans-84.6131.2173.9-42.60000110.4V153 E154V153-T179 WeakPolarHBondContact O-CA 2.94Å; E154-T179 HydrophobicContact CG-CG2 4.39Å
180I94.8Very high92.8Very high4 Ų468.2 Ų68.22%0.02136%0.359CS..EExtended strand (participates in β ladder)trans-111.5124.9173.6-53.2178.3000108I145 N147 S152 V153 V155 N184 K186I145-I180 HydrophobicContact CB-CD1 3.81Å; I145-I180 HydrophobicContact CD1-CD1 4.5Å; I145-I180 HydrophobicContact CG2-CD1 3.44Å; I145-I180 VanDerWaalsContact CG2-CD1 3.44Å; N147-I180 HydrophobicContact CB-CB 4.3Å; N147-I180 HydrophobicContact CB-CG2 3.67Å; S152-I180 VanDerWaalsContact CA-O 3.3Å; S152-I180 WeakPolarHBondContact CA-O 3.36Å; V153-I180 PolarHBondContact N-O 3.02Å; V153-I180 PolarHBondContact O-N 3.47Å; V155-I180 HydrophobicContact CG2-CD1 3.88Å; V155-I180 HydrophobicContact CG2-CG1 4.42Å; I180-N184 WeakPolarHBondContact CG2-O 3.41Å; I180-K186 HydrophobicContact CD1-CB 4.32Å; I180-K186 HydrophobicContact CG1-CB 4.25Å; I180-K186 HydrophobicContact CG1-CD 4.44Å
181N95.2Very high92.8Very high91 Ų9172.4 Ų72.449%0.48738%0.378SS..  trans-65.5162.8-179.6-70.7-20.9000112N147 N184N147-N181 PolarHBondContact ND2-O 2.93Å; N147-N181 VanDerWaalsContact ND2-O 3.07Å; N181-N184 HydrophobicContact CB-CB 4.03Å; N181-N184 WeakPolarHBondContact O-CB 3.42Å; N181-N184 PolarHBondContact O-N 2.86Å
182P94.8Very high92.8Very high56 Ų5667.8 Ų67.836%0.36435%0.353SS..THydrogen-bonded Turntrans-55.2138.9174.2-24.734.7000112.1N149 N184N149-P182 WeakPolarHBondContact O-CA 3.25Å; P182-N184 PolarHBondContact O-N 2.82Å
183L93.9Very high92.8Very high104 Ų10469.9 Ų69.955%0.54537%0.366SS..THydrogen-bonded Turntrans51.430.1176.9-56177.7000114N147 N148 N149 Y150N147-L183 CarbonylContact O-C 3.55Å; N147-L183 WeakPolarHBondContact O-CA 3.36Å; N147-L183 PolarHBondContact O-N 3.36Å; N148-L183 WeakPolarHBondContact O-CD2 3.43Å; N149-L183 PolarHBondContact O-N 3.04Å; Y150-L183 HydrophobicContact CD1-CD1 3.88Å; Y150-L183 HydrophobicContact CD1-CD2 4.38Å; Y150-L183 HydrophobicContact CD1-CG 4.22Å; Y150-L183 HydrophobicContact CE1-CD1 3.74Å; Y150-L183 HydrophobicContact CE1-CD2 4.3Å; Y150-L183 HydrophobicContact CE1-CG 4.38Å
184N95.5Very high92.9Very high79 Ų7962 Ų6242%0.42234%0.337SS..  trans-121.6159-175.8-160.76.4000111.4N147 I180 N181 P182N147-N184 PolarHBondContact N-O 2.92Å; N147-N184 PolarHBondContact O-N 3.17Å; I180-N184 WeakPolarHBondContact CG2-O 3.41Å; N181-N184 HydrophobicContact CB-CB 4.03Å; N181-N184 WeakPolarHBondContact O-CB 3.42Å; N181-N184 PolarHBondContact O-N 2.86Å; P182-N184 PolarHBondContact O-N 2.82Å
185M94.4Very high93.1Very high93 Ų9363.6 Ų63.646%0.45835%0.348SS..EExtended strand (participates in β ladder)trans-118.7143.4-178-178.9-174.373.200109.7N144 I145 T146N144-M185 PolarHBondContact ND2-SD 2.82Å; N144-M185 WeakPolarHBondContact OD1-CG 3.4Å; N144-M185 PolarHBondContact OD1-SD 3.14Å; I145-M185 CarbonylContact O-C 3.21Å; I145-M185 WeakPolarHBondContact O-CA 3.04Å; T146-M185 HydrophobicContact CG2-CB 4.35Å
186K93Very high93.5Very high92 Ų9259.9 Ų59.940%0.432%0.322SS..EExtended strand (participates in β ladder)trans-138.6134.7176.4-157.6169.6-174.3174.20110.7I145 I178 I180I145-K186 PolarHBondContact N-O 3.19Å; I145-K186 PolarHBondContact O-N 3.49Å; I178-K186 HydrophobicContact CG2-CD 3.68Å; I180-K186 HydrophobicContact CD1-CB 4.32Å; I180-K186 HydrophobicContact CG1-CB 4.25Å; I180-K186 HydrophobicContact CG1-CD 4.44Å
187Q93.5Very high93.7Very high113 Ų11355.1 Ų55.153%0.52830%0.298SS..EExtended strand (participates in β ladder)trans-99.2136.6174.3-69.1-177.7-4.800110.4T142 L143 N144T142-Q187 HydrophobicContact CG2-CB 4.21Å; T142-Q187 HydrophobicContact CG2-CG 4.49Å; L143-Q187 CarbonylContact O-C 3.58Å; L143-Q187 VanDerWaalsContact O-CA 3.26Å; L143-Q187 WeakPolarHBondContact O-CA 3.22Å; N144-Q187 HydrophobicContact CB-CG 4.31Å
188I91.8Very high93.9Very high21 Ų2157.6 Ų57.611%0.10831%0.309CS..EExtended strand (participates in β ladder)trans-133.4130.2-179.3-61.8159.4000108L143 I145 I158 I178L143-I188 WeakPolarHBondContact CB-O 3.21Å; L143-I188 PolarHBondContact N-O 2.99Å; L143-I188 PolarHBondContact O-N 2.81Å; I145-I188 HydrophobicContact CD1-CD1 3.76Å; I158-I188 HydrophobicContact CD1-CD1 4.24Å; I158-I188 HydrophobicContact CD1-CG2 4.36Å; I178-I188 HydrophobicContact CD1-CD1 3.37Å; I178-I188 HydrophobicContact CD1-CG1 3.88Å; I178-I188 HydrophobicContact CD1-CG2 4.38Å
189D93.1Very high93.7Very high71 Ų7164 Ų6438%0.3834%0.338SS..EExtended strand (participates in β ladder)trans-90.7133.7173.3-61.4-33.7000109.9K122 T140 N141 T142K122-D189 IonicContact NZ-OD1 2.58Å; K122-D189 IonicContact NZ-OD2 3.64Å; K122-D189 PolarHBondContact NZ-OD2 3.02Å; T140-D189 HydrophobicContact CG2-CB 4.36Å; N141-D189 WeakPolarHBondContact O-CA 3.41Å; T142-D189 WeakPolarHBondContact CB-OD1 3.38Å; T142-D189 WeakPolarHBondContact CG2-OD1 3.48Å; T142-D189 PolarHBondContact OG1-OD1 2.85Å
190Y92.8Very high93.7Very high3 Ų361.4 Ų61.41%0.01232%0.322CS..EExtended strand (participates in β ladder)trans-128.2139.5174.467.1-84.4000110.3N118 T140 N141 L143 A160 V192 T221 V223N118-Y190 PolarHBondContact ND2-OH 2.74Å; T140-Y190 WeakPolarHBondContact CA-O 3.47Å; N141-Y190 HydrophobicContact CB-CD1 4.33Å; N141-Y190 HydrophobicContact CB-CE1 3.65Å; N141-Y190 HydrophobicContact CB-CE2 3.99Å; N141-Y190 VanDerWaalsContact CB-CZ 3.46Å; N141-Y190 WeakPolarHBondContact CB-OH 3.48Å; N141-Y190 PolarHBondContact N-O 2.95Å; N141-Y190 PolarHBondContact O-N 2.79Å; L143-Y190 HydrophobicContact CB-CD1 3.98Å; L143-Y190 HydrophobicContact CB-CE1 3.84Å; L143-Y190 HydrophobicContact CD1-CE1 3.84Å; L143-Y190 HydrophobicContact CG-CE1 4.46Å; A160-Y190 HydrophobicContact CB-CD2 3.53Å; A160-Y190 HydrophobicContact CB-CE2 3.44Å; A160-Y190 VanDerWaalsContact CB-CE2 3.44Å; Y190-V192 HydrophobicContact CD2-CG2 3.88Å; Y190-V192 HydrophobicContact CE2-CG2 3.95Å; Y190-T221 HydrophobicContact CE2-CG2 4.3Å; Y190-T221 WeakPolarHBondContact OH-CG2 3.37Å; Y190-V223 HydrophobicContact CE1-CG2 4.22Å; Y190-V223 HydrophobicContact CE2-CG2 3.96Å; Y190-V223 WeakPolarHBondContact OH-CG2 3.41Å
191M94.4Very high93.4Very high96 Ų9664.1 Ų64.147%0.47334%0.336SS..EExtended strand (participates in β ladder)trans-107.8133.4177.6-170.3-157.5-41.200109.6N138 I139 S172N138-M191 HydrophobicContact CB-CG 4.3Å; N138-M191 HydrophobicContact CB-SD 4.01Å; I139-M191 CarbonylContact O-C 3.56Å; I139-M191 WeakPolarHBondContact O-CA 3.34Å; S172-M191 VanDerWaalsContact CB-O 3.27Å; S172-M191 WeakPolarHBondContact CB-O 3.41Å; S172-M191 PolarHBondContact OG-O 3.27Å
192V96.5Very high93.1Very high0 Ų066 Ų660%034%0.337CS..EExtended strand (participates in β ladder)trans-113.9115.2171.2-169.20000108.6I139 A160 V162 Y190 T194I139-V192 PolarHBondContact N-O 3.48Å; I139-V192 PolarHBondContact O-N 2.79Å; A160-V192 HydrophobicContact CB-CG2 3.69Å; V162-V192 HydrophobicContact CB-CG1 4.36Å; V162-V192 HydrophobicContact CG2-CB 3.85Å; V162-V192 HydrophobicContact CG2-CG1 3.77Å; V162-V192 HydrophobicContact CG2-CG2 4.04Å; Y190-V192 HydrophobicContact CD2-CG2 3.88Å; Y190-V192 HydrophobicContact CE2-CG2 3.95Å; V192-T194 HydrophobicContact CB-CG2 4.35Å; V192-T194 HydrophobicContact CG1-CG2 3.98Å; V192-T194 PolarHBondContact O-N 2.8Å
193P96.3Very high93.1Very high66 Ų6664.4 Ų64.443%0.42933%0.325SS..EExtended strand (participates in β ladder)trans-71.3126166.730.5-30.9000108.1N138 G170N138-P193 WeakPolarHBondContact OD1-CA 3.47Å; G170-P193 WeakPolarHBondContact CA-O 3.27Å
194T95.8Very high93.1Very high2 Ų260.4 Ų60.41%0.01230%0.303CS..EExtended strand (participates in β ladder)trans-125.1142-178.869.70000109.8Y136 L137 I139 V162 I169 V192Y136-T194 WeakPolarHBondContact CA-O 3.37Å; L137-T194 VanDerWaalsContact CB-OG1 3.24Å; L137-T194 WeakPolarHBondContact CB-OG1 3.41Å; L137-T194 PolarHBondContact N-O 2.82Å; L137-T194 WeakPolarHBondContact O-CA 3.46Å; L137-T194 WeakPolarHBondContact O-CB 3.41Å; L137-T194 PolarHBondContact O-N 2.95Å; L137-T194 PolarHBondContact O-OG1 2.9Å; I139-T194 HydrophobicContact CD1-CG2 3.9Å; I139-T194 HydrophobicContact CG1-CG2 4.3Å; V162-T194 HydrophobicContact CB-CG2 3.77Å; V162-T194 HydrophobicContact CG1-CG2 3.99Å; V162-T194 HydrophobicContact CG2-CG2 4.02Å; I169-T194 CarbonylContact O-C 3.56Å; I169-T194 VanDerWaalsContact O-CA 3.25Å; I169-T194 WeakPolarHBondContact O-CA 3.32Å; V192-T194 HydrophobicContact CB-CG2 4.35Å; V192-T194 HydrophobicContact CG1-CG2 3.98Å; V192-T194 PolarHBondContact O-N 2.8Å
195V95.4Very high92.9Very high67 Ų6763.1 Ų63.141%0.40631%0.313SS..EExtended strand (participates in β ladder)trans-125.6120.8-178.3-171.20000107.3I134 Y136 I169I134-V195 HydrophobicContact CG2-CG1 3.51Å; Y136-V195 HydrophobicContact CD1-CB 4.44Å; Y136-V195 HydrophobicContact CD1-CG1 4.1Å; Y136-V195 HydrophobicContact CD1-CG2 3.86Å; Y136-V195 HydrophobicContact CE1-CG1 3.83Å; Y136-V195 HydrophobicContact CE1-CG2 3.96Å; I169-V195 WeakPolarHBondContact CB-O 3.41Å; I169-V195 PolarHBondContact O-N 3.29Å
196I94.8Very high92.8Very high1 Ų162.5 Ų62.51%0.00531%0.306CS..EExtended strand (participates in β ladder)trans-107.1104.1172.7-55.7178.3000106.3V135 L137 I169 L200 M203 I217V135-I196 HydrophobicContact CB-CB 4.26Å; V135-I196 PolarHBondContact N-O 3.3Å; V135-I196 PolarHBondContact O-N 3Å; L137-I196 HydrophobicContact CD1-CD1 3.63Å; L137-I196 HydrophobicContact CD1-CG1 4.42Å; I169-I196 HydrophobicContact CD1-CD1 4.3Å; I169-I196 HydrophobicContact CD1-CG1 4.01Å; I196-L200 HydrophobicContact CG2-CB 3.66Å; I196-L200 HydrophobicContact CG2-CD1 4.28Å; I196-M203 HydrophobicContact CG2-CB 3.69Å; I196-M203 HydrophobicContact CG2-CG 4.01Å; I196-I217 HydrophobicContact CD1-CD1 3.62Å
197G92Very high92.8Very high10 Ų1058.1 Ų58.110%0.10329%0.288CS..  trans-159.6-167.2-178.900000111.2E199 L200 N201G197-E199 PolarHBondContact O-N 3.43Å; G197-E199 VanDerWaalsContact O-N 3.12Å; G197-L200 PolarHBondContact O-N 2.88Å; G197-N201 WeakPolarHBondContact CA-OD1 3.09Å
198D88.8Confident92.7Very high143 Ų14355.4 Ų55.477%0.76528%0.279SS*.G310 helixtrans54.2-107.6-178-56.5-46.4000112.6L200 N201D198-L200 PolarHBondContact O-N 2.75Å; D198-N201 PolarHBondContact N-OD1 3.29Å; D198-N201 PolarHBondContact O-N 3.25Å; D198-N201 PolarHBondContact O-ND2 2.93Å; D198-N201 PolarHBondContact O-OD1 2.84Å
199E89Confident92.8Very high165 Ų16557.9 Ų57.977%0.77129%0.292SS*.G310 helixtrans-65.1-16.6177.6-61.1-177172.700112.8G197G197-E199 PolarHBondContact O-N 3.43Å; G197-E199 VanDerWaalsContact O-N 3.12Å
200L91.5Very high92.5Very high13 Ų1363.5 Ų63.57%0.06832%0.316CS..G310 helixtrans-107.214-178.3-58.1175.1000113.5F164 I169 I196 G197 D198 Y202 M203F164-L200 HydrophobicContact CD1-CD1 3.88Å; F164-L200 HydrophobicContact CD1-CD2 4Å; F164-L200 HydrophobicContact CE1-CD2 4.16Å; I169-L200 HydrophobicContact CG2-CD1 3.63Å; I196-L200 HydrophobicContact CG2-CB 3.66Å; I196-L200 HydrophobicContact CG2-CD1 4.28Å; G197-L200 PolarHBondContact O-N 2.88Å; D198-L200 PolarHBondContact O-N 2.75Å; L200-Y202 HydrophobicContact CD2-CE1 3.9Å; L200-Y202 PolarHBondContact O-N 3.46Å; L200-M203 WeakPolarHBondContact O-CB 3.48Å; L200-M203 PolarHBondContact O-N 3.48Å
201N88.6Confident92.3Very high61 Ų6169.1 Ų69.133%0.32635%0.351SS..THydrogen-bonded Turntrans-55.5-27.7-178.7-80.3-3000114.2G197 D198 M203 Y204G197-N201 WeakPolarHBondContact CA-OD1 3.09Å; D198-N201 PolarHBondContact N-OD1 3.29Å; D198-N201 PolarHBondContact O-N 3.25Å; D198-N201 PolarHBondContact O-ND2 2.93Å; D198-N201 PolarHBondContact O-OD1 2.84Å; N201-M203 PolarHBondContact O-N 2.84Å; N201-M203 VanDerWaalsContact O-N 3.09Å; N201-Y204 VanDerWaalsContact O-CB 3.28Å; N201-Y204 WeakPolarHBondContact O-CB 3.26Å; N201-Y204 PolarHBondContact O-N 2.93Å
202Y90.4Very high91.8Very high129 Ų12967.6 Ų67.651%0.50634%0.344SS..Hα-helixtrans-60.6-19.2175.867.1-86.5000113.3L200 Y204L200-Y202 HydrophobicContact CD2-CE1 3.9Å; L200-Y202 PolarHBondContact O-N 3.46Å; Y202-Y204 VanDerWaalsContact C-N 3.31Å
203M93Very high91.2Very high23 Ų2377.1 Ų77.111%0.11339%0.385CS..Hα-helixtrans-73.2-22.4175.1-64.1-74.973.700113.2F164 I196 L200 N201 E205 Y206 C207F164-M203 HydrophobicContact CE1-CG 4.15Å; F164-M203 HydrophobicContact CE1-SD 3.87Å; F164-M203 HydrophobicContact CZ-CG 4.45Å; F164-M203 HydrophobicContact CZ-SD 3.62Å; I196-M203 HydrophobicContact CG2-CB 3.69Å; I196-M203 HydrophobicContact CG2-CG 4.01Å; L200-M203 WeakPolarHBondContact O-CB 3.48Å; L200-M203 PolarHBondContact O-N 3.48Å; N201-M203 PolarHBondContact O-N 2.84Å; N201-M203 VanDerWaalsContact O-N 3.09Å; M203-E205 PolarHBondContact O-N 3.21Å; M203-Y206 HydrophobicContact CE-CD1 4.47Å; M203-Y206 HydrophobicContact CE-CG 4.34Å; M203-Y206 PolarHBondContact O-N 2.92Å; M203-C207 WeakPolarHBondContact O-CB 3.46Å; M203-C207 PolarHBondContact O-N 2.94Å; M203-C207 PolarHBondContact O-SG 2.89Å
204Y93.8Very high90.7Very high20 Ų2077.5 Ų77.58%0.07839%0.386CS..Hα-helixtrans-60.1-47.5175.8177.4-89.1000111.8Y128 D129 L130 H133 V135 N201 Y202 Y206 C207 T208Y128-Y204 HydrophobicContact CD1-CE2 4.36Å; D129-Y204 WeakPolarHBondContact O-CE2 3.27Å; L130-Y204 WeakPolarHBondContact CD2-OH 3.3Å; L130-Y204 WeakPolarHBondContact CG-OH 3.48Å; H133-Y204 VanDerWaalsContact C-CD2 3.45Å; H133-Y204 HydrophobicContact CB-CD1 3.99Å; H133-Y204 HydrophobicContact CB-CD2 4.26Å; H133-Y204 HydrophobicContact CB-CG 3.8Å; H133-Y204 AromaticContact CD2-CD1 3.41Å; H133-Y204 VanDerWaalsContact CD2-CD1 3.41Å; H133-Y204 WeakPolarHBondContact CD2-CD1 3.36Å; H133-Y204 AromaticContact CD2-CE1 3.73Å; H133-Y204 AromaticContact CG-CD1 3.92Å; H133-Y204 WeakPolarHBondContact O-CB 3.36Å; V135-Y204 HydrophobicContact CG2-CD2 4.07Å; N201-Y204 VanDerWaalsContact O-CB 3.28Å; N201-Y204 WeakPolarHBondContact O-CB 3.26Å; N201-Y204 PolarHBondContact O-N 2.93Å; Y202-Y204 VanDerWaalsContact C-N 3.31Å; Y204-Y206 VanDerWaalsContact C-N 3.29Å; Y204-Y206 PolarHBondContact O-N 3.36Å; Y204-C207 PolarHBondContact O-N 3.42Å; Y204-T208 HydrophobicContact CD1-CG2 4.48Å; Y204-T208 HydrophobicContact CD2-CG2 4.31Å; Y204-T208 HydrophobicContact CE1-CG2 4.13Å; Y204-T208 HydrophobicContact CE2-CG2 3.97Å; Y204-T208 WeakPolarHBondContact O-CB 3.26Å; Y204-T208 WeakPolarHBondContact O-CG2 3.43Å; Y204-T208 PolarHBondContact O-N 3.1Å; Y204-T208 PolarHBondContact O-OG1 3.28Å
205E92.3Very high90.5Very high137 Ų13777.9 Ų77.964%0.6439%0.388SS*.Hα-helixtrans-61.5-40177.5-67.7-175.317800111.4M203 L209M203-E205 PolarHBondContact O-N 3.21Å; E205-L209 WeakPolarHBondContact O-CB 3.44Å; E205-L209 PolarHBondContact O-N 3.46Å
206Y92.9Very high90.2Very high79 Ų7978 Ų7831%0.3139%0.386SS..Hα-helixtrans-62.7-54.8175.3176.3-105.2000111M203 Y204 T208 L209 I212 H215 N216 I217M203-Y206 HydrophobicContact CE-CD1 4.47Å; M203-Y206 HydrophobicContact CE-CG 4.34Å; M203-Y206 PolarHBondContact O-N 2.92Å; Y204-Y206 VanDerWaalsContact C-N 3.29Å; Y204-Y206 PolarHBondContact O-N 3.36Å; Y206-T208 VanDerWaalsContact C-N 3.26Å; Y206-T208 PolarHBondContact O-N 3.36Å; Y206-L209 VanDerWaalsContact O-CB 3.3Å; Y206-L209 WeakPolarHBondContact O-CB 3.31Å; Y206-L209 PolarHBondContact O-N 3.09Å; Y206-L209 VanDerWaalsContact O-N 3.17Å; Y206-I212 HydrophobicContact CE2-CD1 4.17Å; Y206-H215 HydrophobicContact CD1-CB 4.34Å; Y206-H215 HydrophobicContact CE1-CB 3.88Å; Y206-H215 PolarHBondContact O-CD2 3.31Å; Y206-H215 PolarHBondContact O-NE2 3.26Å; Y206-H215 VanDerWaalsContact O-NE2 3.12Å; Y206-N216 PolarHBondContact OH-O 3.34Å; Y206-I217 HydrophobicContact CD1-CG2 4.41Å; Y206-I217 HydrophobicContact CE1-CG2 3.99Å
207C92.3Very high90.2Very high1 Ų178.4 Ų78.41%0.00739%0.388CS..Hα-helixtrans-65.7-25.1-174.9-61.90000113.7Y128 V135 M203 Y204 H215 C246 G247Y128-C207 HydrophobicContact CE1-CB 4.07Å; Y128-C207 PolarHBondContact OH-O 3.37Å; V135-C207 HydrophobicContact CG2-CB 4.15Å; M203-C207 WeakPolarHBondContact O-CB 3.46Å; M203-C207 PolarHBondContact O-N 2.94Å; M203-C207 PolarHBondContact O-SG 2.89Å; Y204-C207 PolarHBondContact O-N 3.42Å; C207-H215 PolarHBondContact O-CE1 2.92Å; C207-C246 HydrophobicContact CB-CB 3.95Å; C207-C246 WeakPolarHBondContact CB-O 3.13Å; C207-C246 WeakPolarHBondContact CB-SG 3.47Å; C207-C246 WeakPolarHBondContact SG-CB 3.44Å; C207-C246 CovalentContact SG-SG 2.04Å; C207-C246 PolarHBondContact SG-SG 2.69Å; C207-G247 WeakPolarHBondContact O-CA 3.22Å
208T92.4Very high90.2Very high55 Ų5580.9 Ų80.934%0.33740%0.401SS..THydrogen-bonded Turntrans-96.1-0.8178.5580000113.8Y128 Y204 Y206 E210Y128-T208 HydrophobicContact CD1-CG2 3.76Å; Y128-T208 HydrophobicContact CE1-CG2 3.8Å; Y128-T208 HydrophobicContact CG-CG2 4.23Å; Y204-T208 HydrophobicContact CD1-CG2 4.48Å; Y204-T208 HydrophobicContact CD2-CG2 4.31Å; Y204-T208 HydrophobicContact CE1-CG2 4.13Å; Y204-T208 HydrophobicContact CE2-CG2 3.97Å; Y204-T208 WeakPolarHBondContact O-CB 3.26Å; Y204-T208 WeakPolarHBondContact O-CG2 3.43Å; Y204-T208 PolarHBondContact O-N 3.1Å; Y204-T208 PolarHBondContact O-OG1 3.28Å; Y206-T208 VanDerWaalsContact C-N 3.26Å; Y206-T208 PolarHBondContact O-N 3.36Å; T208-E210 PolarHBondContact O-N 2.86Å; T208-E210 VanDerWaalsContact O-N 3.14Å
209L92.1Very high90.5Very high74 Ų7474 Ų7439%0.38736%0.364SS..  trans-68.4110.8-173.8-17066000112.3E205 Y206 T211 I212 H215E205-L209 WeakPolarHBondContact O-CB 3.44Å; E205-L209 PolarHBondContact O-N 3.46Å; Y206-L209 VanDerWaalsContact O-CB 3.3Å; Y206-L209 WeakPolarHBondContact O-CB 3.31Å; Y206-L209 PolarHBondContact O-N 3.09Å; Y206-L209 VanDerWaalsContact O-N 3.17Å; L209-T211 WeakPolarHBondContact CD2-OG1 3.45Å; L209-T211 VanDerWaalsContact CG-OG1 3.31Å; L209-T211 WeakPolarHBondContact CG-OG1 3.27Å; L209-T211 PolarHBondContact O-N 2.84Å; L209-I212 HydrophobicContact CD2-CD1 3.86Å; L209-I212 HydrophobicContact CD2-CG1 4.09Å; L209-I212 PolarHBondContact O-N 3.39Å; L209-I212 VanDerWaalsContact O-O 3.07Å; L209-H215 PolarHBondContact O-CE1 3.48Å; L209-H215 PolarHBondContact O-NE2 2.9Å
210E87.8Confident90.8Very high189 Ų18967.4 Ų67.488%0.88333%0.334SS*.THydrogen-bonded Turntrans-64.3-21.8-176.8-62.6-174.2171.800114.8T208 I212T208-E210 PolarHBondContact O-N 2.86Å; T208-E210 VanDerWaalsContact O-N 3.14Å; E210-I212 PolarHBondContact O-N 2.95Å
211T87.9Confident90.9Very high121 Ų12166.8 Ų66.874%0.74233%0.33SS*.THydrogen-bonded Turntrans-70.5-22.1-179.962.40000112.2L209L209-T211 WeakPolarHBondContact CD2-OG1 3.45Å; L209-T211 VanDerWaalsContact CG-OG1 3.31Å; L209-T211 WeakPolarHBondContact CG-OG1 3.27Å; L209-T211 PolarHBondContact O-N 2.84Å
212I85.3Confident91.2Very high64 Ų6465.5 Ų65.533%0.32832%0.323SS..  trans-109.1128.7179.1-58.2177.7000108.1Y206 L209 E210 V214 H215Y206-I212 HydrophobicContact CE2-CD1 4.17Å; L209-I212 HydrophobicContact CD2-CD1 3.86Å; L209-I212 HydrophobicContact CD2-CG1 4.09Å; L209-I212 PolarHBondContact O-N 3.39Å; L209-I212 VanDerWaalsContact O-O 3.07Å; E210-I212 PolarHBondContact O-N 2.95Å; I212-V214 WeakPolarHBondContact CG2-O 3.33Å; I212-H215 PolarHBondContact O-CE1 2.94Å; I212-H215 PolarHBondContact O-NE2 3.35Å
213K82.1Confident91.4Very high199 Ų19959.5 Ų59.587%0.86530%0.299SS*.SBendtrans-86-18.1-179.6-67.5-171.3176.6-175.30114.2
214V86.7Confident91.5Very high75 Ų7559.4 Ų59.446%0.45530%0.3SS..  trans-139.6118.4-175.1-176.20000108.6I212 N216I212-V214 WeakPolarHBondContact CG2-O 3.33Å; V214-N216 WeakPolarHBondContact CG1-ND2 3.46Å
215H90.6Very high91.5Very high10 Ų1058.6 Ų58.65%0.04630%0.297CS..  trans-11067.6-173-55.388.3000109.8Y206 C207 L209 I212 I217 D245 C246 G247Y206-H215 HydrophobicContact CD1-CB 4.34Å; Y206-H215 HydrophobicContact CE1-CB 3.88Å; Y206-H215 PolarHBondContact O-CD2 3.31Å; Y206-H215 PolarHBondContact O-NE2 3.26Å; Y206-H215 VanDerWaalsContact O-NE2 3.12Å; C207-H215 PolarHBondContact O-CE1 2.92Å; L209-H215 PolarHBondContact O-CE1 3.48Å; L209-H215 PolarHBondContact O-NE2 2.9Å; I212-H215 PolarHBondContact O-CE1 2.94Å; I212-H215 PolarHBondContact O-NE2 3.35Å; H215-I217 PolarHBondContact O-N 3.36Å; H215-D245 PolarHBondContact N-OD1 2.94Å; H215-C246 VanDerWaalsContact CB-SG 3.57Å; H215-C246 PolarHBondContact O-N 3.32Å; H215-C246 PolarHBondContact O-SG 2.85Å; H215-G247 WeakPolarHBondContact ND1-CA 3.17Å
216N90.9Very high91.6Very high69 Ų6953.3 Ų53.337%0.36927%0.274SS..EExtended strand (participates in β ladder)trans-70.4126.4-179-71-40.3000111Y206 V214 V244Y206-N216 PolarHBondContact OH-O 3.34Å; V214-N216 WeakPolarHBondContact CG1-ND2 3.46Å; N216-V244 CarbonylContact C-O 3.49Å; N216-V244 WeakPolarHBondContact CA-O 3.32Å
217I92.9Very high91.6Very high10 Ų1049.6 Ų49.65%0.05126%0.26CS..EExtended strand (participates in β ladder)trans-116.6151169.461.3168000109.5L137 F164 I196 Y206 H215 V219 Y243 V244 C246L137-I217 HydrophobicContact CD1-CD1 4Å; F164-I217 HydrophobicContact CD2-CD1 4.48Å; F164-I217 HydrophobicContact CE2-CB 4.05Å; F164-I217 HydrophobicContact CE2-CG2 4.47Å; I196-I217 HydrophobicContact CD1-CD1 3.62Å; Y206-I217 HydrophobicContact CD1-CG2 4.41Å; Y206-I217 HydrophobicContact CE1-CG2 3.99Å; H215-I217 PolarHBondContact O-N 3.36Å; I217-V219 HydrophobicContact CD1-CG1 4.04Å; I217-V219 HydrophobicContact CG1-CG1 4.3Å; I217-Y243 WeakPolarHBondContact O-CA 3.09Å; I217-V244 HydrophobicContact CG1-CB 4.18Å; I217-V244 WeakPolarHBondContact CG1-O 3Å; I217-V244 PolarHBondContact N-O 3.49Å; I217-V244 PolarHBondContact O-N 2.99Å; I217-C246 HydrophobicContact CD1-CB 4.18Å; I217-C246 HydrophobicContact CG1-CB 4.4Å
218V93.6Very high91.6Very high61 Ų6151 Ų5137%0.3727%0.268SS..EExtended strand (participates in β ladder)trans-97.2121.9174.4-178.80000108.8F164 Y241 Y243F164-V218 WeakPolarHBondContact CD2-O 3.43Å; V218-Y241 HydrophobicContact CG1-CD1 4.15Å; V218-Y243 HydrophobicContact CG2-CD1 3.62Å; V218-Y243 HydrophobicContact CG2-CE1 3.3Å; V218-Y243 HydrophobicContact CG2-CG 4.46Å
219V94.6Very high91.5Very high0 Ų050 Ų500%026%0.258CS..EExtended strand (participates in β ladder)trans-116.1148.6172.1-52.60000110I139 V162 Q163 F164 I169 I217 Y241 Q242 V244I139-V219 HydrophobicContact CD1-CG2 4.43Å; V162-V219 HydrophobicContact CG1-CB 3.73Å; V162-V219 HydrophobicContact CG1-CG1 4.2Å; V162-V219 HydrophobicContact CG1-CG2 3.81Å; Q163-V219 CarbonylContact O-C 3.59Å; Q163-V219 WeakPolarHBondContact O-CA 3.4Å; F164-V219 HydrophobicContact CD2-CG1 4.41Å; I169-V219 HydrophobicContact CD1-CG1 4.3Å; I217-V219 HydrophobicContact CD1-CG1 4.04Å; I217-V219 HydrophobicContact CG1-CG1 4.3Å; V219-Y241 WeakPolarHBondContact O-CA 3.02Å; V219-Q242 HydrophobicContact CG2-CG 3.69Å; V219-Q242 PolarHBondContact N-O 3.37Å; V219-Q242 PolarHBondContact O-N 3.33Å; V219-V244 HydrophobicContact CB-CG2 4.26Å; V219-V244 HydrophobicContact CG1-CG2 3.95Å; V219-V244 HydrophobicContact CG2-CG2 3.38Å
220M94.6Very high91.4Very high25 Ų2552.6 Ų52.612%0.12327%0.267CS..EExtended strand (participates in β ladder)trans-99.5123.9171.4-175.4178.5178.400108.3V162 Q163 E239 Y241V162-M220 WeakPolarHBondContact CA-O 3.29Å; Q163-M220 HydrophobicContact CB-CB 4.36Å; Q163-M220 PolarHBondContact N-O 3.48Å; Q163-M220 PolarHBondContact O-N 3.13Å; M220-E239 HydrophobicContact CE-CB 3.79Å; M220-E239 HydrophobicContact CE-CG 3.77Å; M220-E239 WeakPolarHBondContact CE-OE2 2.98Å; M220-Y241 HydrophobicContact CB-CD1 3.91Å; M220-Y241 HydrophobicContact CB-CE1 3.71Å; M220-Y241 HydrophobicContact CG-CD1 4.23Å; M220-Y241 HydrophobicContact CG-CE1 3.85Å; M220-Y241 HydrophobicContact SD-CE1 3.88Å; M220-Y241 PolarHBondContact SD-OH 2.79Å
221T93.9Very high91.2Very high0 Ų047.5 Ų47.50%027%0.266CS..EExtended strand (participates in β ladder)trans-105.4123.4175.7-55.30000108.5Q161 V162 Y190 V223 E239 M240 Q242Q161-T221 CarbonylContact O-C 3.56Å; Q161-T221 WeakPolarHBondContact O-CA 3.24Å; V162-T221 HydrophobicContact CG2-CG2 4.34Å; Y190-T221 HydrophobicContact CE2-CG2 4.3Å; Y190-T221 WeakPolarHBondContact OH-CG2 3.37Å; T221-V223 HydrophobicContact CG2-CG2 3.98Å; T221-E239 WeakPolarHBondContact O-CA 3.44Å; T221-M240 PolarHBondContact N-O 3.22Å; T221-M240 PolarHBondContact O-N 3.48Å; T221-Q242 PolarHBondContact OG1-NE2 3.44Å
222H95.3Very high91.3Very high35 Ų3548 Ų4816%0.16226%0.259CS..EExtended strand (participates in β ladder)trans-112.4115.7175.5173.6-120.6000108.1A160 Q161 T224 E239A160-H222 WeakPolarHBondContact CA-O 3.29Å; Q161-H222 PolarHBondContact N-O 2.89Å; Q161-H222 PolarHBondContact O-N 3.42Å; H222-T224 PolarHBondContact CE1-OG1 3.32Å; H222-T224 VanDerWaalsContact CE1-OG1 3.3Å; H222-E239 HydrophobicContact CB-CG 4.22Å; H222-E239 VanDerWaalsContact CD2-CG 3.44Å; H222-E239 WeakPolarHBondContact CD2-CG 3.27Å; H222-E239 IonicContact CD2-OE1 3.99Å
223V94.5Very high91.5Very high2 Ų249 Ų491%0.01227%0.272CS..EExtended strand (participates in β ladder)trans-112.7133.6178.6-176.40000108.7L143 I158 T159 A160 Y190 T221 I225 S237 E238L143-V223 HydrophobicContact CD1-CB 4.29Å; L143-V223 HydrophobicContact CD1-CG1 3.98Å; L143-V223 HydrophobicContact CD1-CG2 4.23Å; I158-V223 HydrophobicContact CG2-CG1 3.85Å; T159-V223 CarbonylContact O-C 3.56Å; T159-V223 WeakPolarHBondContact O-CA 3.4Å; A160-V223 HydrophobicContact CB-CG2 4.14Å; Y190-V223 HydrophobicContact CE1-CG2 4.22Å; Y190-V223 HydrophobicContact CE2-CG2 3.96Å; Y190-V223 WeakPolarHBondContact OH-CG2 3.41Å; T221-V223 HydrophobicContact CG2-CG2 3.98Å; V223-I225 HydrophobicContact CG1-CD1 4.46Å; V223-I225 HydrophobicContact CG1-CG1 4.02Å; V223-S237 CarbonylContact O-C 3.59Å; V223-S237 WeakPolarHBondContact O-CA 3.45Å; V223-E238 PolarHBondContact N-O 3.44Å; V223-E238 PolarHBondContact O-N 3.11Å
224T94.7Very high92Very high21 Ų2143.4 Ų43.413%0.12925%0.249CC..EExtended strand (participates in β ladder)trans-121.8133.9171.7-440000109.3I158 T159 H222 Q235 I236I158-T224 WeakPolarHBondContact CA-O 3.31Å; T159-T224 PolarHBondContact N-O 2.86Å; T159-T224 PolarHBondContact O-N 2.81Å; T159-T224 WeakPolarHBondContact OG1-CB 3.31Å; T159-T224 PolarHBondContact OG1-O 3.01Å; H222-T224 PolarHBondContact CE1-OG1 3.32Å; H222-T224 VanDerWaalsContact CE1-OG1 3.3Å; T224-Q235 HydrophobicContact CG2-CB 4.38Å; T224-I236 CarbonylContact C-O 3.49Å; T224-I236 WeakPolarHBondContact CA-O 3.31Å
225I93.8Very high92.3Very high3 Ų346.7 Ų46.72%0.01526%0.259CS..EExtended strand (participates in β ladder)trans-123.9133.2-175.8-54.5179.5000108.3V116 L143 I145 V155 N157 I158 V223 Q235 I236V116-I225 HydrophobicContact CB-CD1 4.28Å; V116-I225 HydrophobicContact CG1-CD1 3.47Å; V116-I225 VanDerWaalsContact CG1-CD1 3.47Å; V116-I225 HydrophobicContact CG2-CD1 3.75Å; L143-I225 HydrophobicContact CD2-CD1 3.18Å; L143-I225 HydrophobicContact CD2-CG1 4.31Å; L143-I225 HydrophobicContact CG-CD1 4.39Å; I145-I225 HydrophobicContact CD1-CD1 3.91Å; I145-I225 HydrophobicContact CG1-CD1 4.22Å; V155-I225 HydrophobicContact CG1-CG2 3.41Å; V155-I225 VanDerWaalsContact CG1-CG2 3.41Å; N157-I225 CarbonylContact O-C 3.52Å; N157-I225 WeakPolarHBondContact O-CA 3.21Å; I158-I225 HydrophobicContact CG1-CG1 4.39Å; I158-I225 HydrophobicContact CG1-CG2 4.33Å; I158-I225 HydrophobicContact CG2-CG1 4.41Å; V223-I225 HydrophobicContact CG1-CD1 4.46Å; V223-I225 HydrophobicContact CG1-CG1 4.02Å; I225-Q235 CarbonylContact O-C 3.59Å; I225-Q235 VanDerWaalsContact O-CA 3.31Å; I225-Q235 WeakPolarHBondContact O-CA 3.49Å; I225-I236 PolarHBondContact N-O 3.4Å; I225-I236 PolarHBondContact O-N 2.82Å
226T94.2Very high92.4Very high27 Ų2747.6 Ų47.617%0.16626%0.264CS..EExtended strand (participates in β ladder)trans-100.1114.3170.1-49.20000109.4A156 N157 T228 E234 Q235A156-T226 PolarHBondContact N-O 3.24Å; N157-T226 PolarHBondContact O-N 3.19Å; T226-T228 HydrophobicContact CG2-CG2 4.42Å; T226-E234 WeakPolarHBondContact CA-O 3.21Å; T226-Q235 HydrophobicContact CG2-CG 4.42Å
227A92.9Very high92.6Very high1 Ų147.8 Ų47.81%0.00827%0.271CS..EExtended strand (participates in β ladder)trans-103.8140.3173.300000109.9I114 V153 E154 S233 E234I114-A227 HydrophobicContact CD1-CB 3.68Å; V153-A227 HydrophobicContact CG1-CB 3.85Å; E154-A227 CarbonylContact O-C 3.58Å; E154-A227 WeakPolarHBondContact O-CA 3.02Å; A227-S233 CarbonylContact O-C 3.51Å; A227-S233 WeakPolarHBondContact O-CA 3.15Å; A227-E234 PolarHBondContact N-O 3.13Å; A227-E234 PolarHBondContact O-N 3.25Å
228T92.5Very high92.6Very high30 Ų3050.8 Ų50.818%0.18429%0.285CS..EExtended strand (participates in β ladder)trans-129.2132.7-177.759.80000111E154 T226 H232 S233E154-T228 WeakPolarHBondContact CB-OG1 3.44Å; E154-T228 PolarHBondContact N-O 2.92Å; E154-T228 PolarHBondContact O-N 3.08Å; E154-T228 PolarHBondContact O-OG1 2.82Å; T226-T228 HydrophobicContact CG2-CG2 4.42Å; T228-H232 CarbonylContact C-O 3.49Å; T228-H232 VanDerWaalsContact CA-O 3.22Å; T228-H232 WeakPolarHBondContact CA-O 2.97Å; T228-S233 VanDerWaalsContact CG2-OG 3.26Å; T228-S233 WeakPolarHBondContact CG2-OG 3.38Å
229Y91.3Very high92.6Very high33 Ų3353.2 Ų53.213%0.12929%0.292CS..EExtended strand (participates in β ladder)trans-153139.4179.852.8-92.9000110P111 I114 Y151 V153 G231 H232 E234P111-Y229 HydrophobicContact CB-CE2 4.08Å; I114-Y229 HydrophobicContact CD1-CD1 4.49Å; I114-Y229 HydrophobicContact CD1-CE1 4.31Å; Y151-Y229 AromaticContact CE2-CD2 3.95Å; Y151-Y229 HydrophobicContact CE2-CD2 3.95Å; Y151-Y229 AromaticContact CE2-CG 3.88Å; Y151-Y229 HydrophobicContact CE2-CG 3.88Å; V153-Y229 HydrophobicContact CG1-CD1 4.34Å; V153-Y229 HydrophobicContact CG2-CD1 4.49Å; Y229-G231 PolarHBondContact O-N 3.17Å; Y229-H232 HydrophobicContact CD2-CB 4.47Å; Y229-H232 HydrophobicContact CE2-CB 4.26Å; Y229-H232 PolarHBondContact N-O 3.41Å; Y229-H232 WeakPolarHBondContact O-CA 3.35Å; Y229-H232 WeakPolarHBondContact O-CB 3.37Å; Y229-H232 PolarHBondContact O-N 2.95Å; Y229-E234 HydrophobicContact CE1-CB 4.34Å; Y229-E234 PolarHBondContact OH-OE2 2.92Å
230F88.7Confident92.5Very high129 Ų12957.3 Ų57.357%0.56631%0.312SS*.THydrogen-bonded Turntrans47.732.6-179-59.3-59.4000115.1L109 Y151 H232L109-F230 HydrophobicContact CD2-CE2 4.21Å; L109-F230 HydrophobicContact CD2-CZ 3.8Å; Y151-F230 AromaticContact CD1-CE2 3.56Å; Y151-F230 HydrophobicContact CD1-CE2 3.56Å; Y151-F230 AromaticContact CD1-CZ 3.97Å; Y151-F230 HydrophobicContact CD1-CZ 3.97Å; Y151-F230 HydrophobicContact CD2-CD2 4.36Å; Y151-F230 AromaticContact CD2-CE2 3.7Å; Y151-F230 HydrophobicContact CD2-CE2 3.7Å; Y151-F230 HydrophobicContact CD2-CZ 4.18Å; Y151-F230 HydrophobicContact CE1-CD2 4.47Å; Y151-F230 AromaticContact CE1-CE2 3.62Å; Y151-F230 HydrophobicContact CE1-CE2 3.62Å; Y151-F230 HydrophobicContact CE1-CZ 4.46Å; Y151-F230 HydrophobicContact CE2-CD2 4.12Å; Y151-F230 AromaticContact CE2-CE2 3.77Å; Y151-F230 HydrophobicContact CE2-CE2 3.77Å; Y151-F230 AromaticContact CG-CE2 3.58Å; Y151-F230 HydrophobicContact CG-CE2 3.58Å; Y151-F230 AromaticContact CG-CZ 3.78Å; Y151-F230 HydrophobicContact CG-CZ 3.78Å; Y151-F230 AromaticContact CZ-CE2 3.7Å; F230-H232 PolarHBondContact O-N 2.98Å
231G84.9Confident92.4Very high83 Ų8363.3 Ų63.386%0.85633%0.334SS*.THydrogen-bonded Turntrans76.6-3.1-176.300000115.1Y229Y229-G231 PolarHBondContact O-N 3.17Å
232H88.4Confident92.3Very high130 Ų13063.9 Ų63.960%0.60234%0.337SS*.EExtended strand (participates in β ladder)trans-86.2146.2167.8-69.1-78.8000110.5T228 Y229 F230T228-H232 CarbonylContact C-O 3.49Å; T228-H232 VanDerWaalsContact CA-O 3.22Å; T228-H232 WeakPolarHBondContact CA-O 2.97Å; Y229-H232 HydrophobicContact CD2-CB 4.47Å; Y229-H232 HydrophobicContact CE2-CB 4.26Å; Y229-H232 PolarHBondContact N-O 3.41Å; Y229-H232 WeakPolarHBondContact O-CA 3.35Å; Y229-H232 WeakPolarHBondContact O-CB 3.37Å; Y229-H232 PolarHBondContact O-N 2.95Å; F230-H232 PolarHBondContact O-N 2.98Å
233S91.3Very high92.1Very high87 Ų8769.4 Ų69.461%0.60836%0.358SS*.EExtended strand (participates in β ladder)trans-125132.1175-570000108.9A227 T228A227-S233 CarbonylContact O-C 3.51Å; A227-S233 WeakPolarHBondContact O-CA 3.15Å; T228-S233 VanDerWaalsContact CG2-OG 3.26Å; T228-S233 WeakPolarHBondContact CG2-OG 3.38Å
234E91.4Very high92Very high80 Ų8069.3 Ų69.337%0.37436%0.357SS..EExtended strand (participates in β ladder)trans-126.7142.4-179.9-175.1175.1-18000109.3T226 A227 Y229 I236T226-E234 WeakPolarHBondContact CA-O 3.21Å; A227-E234 PolarHBondContact N-O 3.13Å; A227-E234 PolarHBondContact O-N 3.25Å; Y229-E234 HydrophobicContact CE1-CB 4.34Å; Y229-E234 PolarHBondContact OH-OE2 2.92Å; E234-I236 HydrophobicContact CG-CG1 4.42Å
235Q93.6Very high91.9Very high145 Ų14569.1 Ų69.168%0.67836%0.355SS*.EExtended strand (participates in β ladder)trans-109.6127.2176.8-73.2-178.673.200109.9T224 I225 T226T224-Q235 HydrophobicContact CG2-CB 4.38Å; I225-Q235 CarbonylContact O-C 3.59Å; I225-Q235 VanDerWaalsContact O-CA 3.31Å; I225-Q235 WeakPolarHBondContact O-CA 3.49Å; T226-Q235 HydrophobicContact CG2-CG 4.42Å
236I93.2Very high91.8Very high29 Ų2969 Ų6915%0.14936%0.355CS..EExtended strand (participates in β ladder)trans-120.9126.5-179.1-58.3160.9000107.2I114 V116 T224 I225 E234I114-I236 HydrophobicContact CB-CD1 3.67Å; I114-I236 HydrophobicContact CD1-CD1 4.22Å; I114-I236 HydrophobicContact CG2-CD1 4.06Å; V116-I236 HydrophobicContact CB-CG2 4.18Å; V116-I236 HydrophobicContact CG2-CB 4.34Å; V116-I236 HydrophobicContact CG2-CG2 3.76Å; T224-I236 CarbonylContact C-O 3.49Å; T224-I236 WeakPolarHBondContact CA-O 3.31Å; I225-I236 PolarHBondContact N-O 3.4Å; I225-I236 PolarHBondContact O-N 2.82Å; E234-I236 HydrophobicContact CG-CG1 4.42Å
237S93.4Very high91.6Very high72 Ų7268.7 Ų68.750%0.50336%0.357SS..EExtended strand (participates in β ladder)trans-117.1138.2-17953.20000111.1V223V223-S237 CarbonylContact O-C 3.59Å; V223-S237 WeakPolarHBondContact O-CA 3.45Å
238E94Very high91.1Very high73 Ų7369.9 Ų69.934%0.34137%0.37SS..EExtended strand (participates in β ladder)trans-130.9136.7176.7-179.667.2172.600110V116 V223V116-E238 HydrophobicContact CG1-CB 4.22Å; V223-E238 PolarHBondContact N-O 3.44Å; V223-E238 PolarHBondContact O-N 3.11Å
239E93.5Very high90.6Very high113 Ų11373.8 Ų73.853%0.52839%0.389SS..EExtended strand (participates in β ladder)trans-118.7132178.9-68-176.7164.300110.6M220 T221 H222M220-E239 HydrophobicContact CE-CB 3.79Å; M220-E239 HydrophobicContact CE-CG 3.77Å; M220-E239 WeakPolarHBondContact CE-OE2 2.98Å; T221-E239 WeakPolarHBondContact O-CA 3.44Å; H222-E239 HydrophobicContact CB-CG 4.22Å; H222-E239 VanDerWaalsContact CD2-CG 3.44Å; H222-E239 WeakPolarHBondContact CD2-CG 3.27Å; H222-E239 IonicContact CD2-OE1 3.99Å
240M91.9Very high89.6Confident86 Ų8673.6 Ų73.642%0.42439%0.392SS..EExtended strand (participates in β ladder)trans-141.8135.1179.6-175.660.1176.400111.8N118 T221N118-M240 HydrophobicContact CB-CB 4.27Å; N118-M240 HydrophobicContact CB-CG 4.46Å; T221-M240 PolarHBondContact N-O 3.22Å; T221-M240 PolarHBondContact O-N 3.48Å
241Y92.8Very high88.4Confident150 Ų15072.5 Ų72.559%0.58840%0.396SS*.EExtended strand (participates in β ladder)trans-88.6131.1169.9-67.7-83.2000110.1V218 V219 M220V218-Y241 HydrophobicContact CG1-CD1 4.15Å; V219-Y241 WeakPolarHBondContact O-CA 3.02Å; M220-Y241 HydrophobicContact CB-CD1 3.91Å; M220-Y241 HydrophobicContact CB-CE1 3.71Å; M220-Y241 HydrophobicContact CG-CD1 4.23Å; M220-Y241 HydrophobicContact CG-CE1 3.85Å; M220-Y241 HydrophobicContact SD-CE1 3.88Å; M220-Y241 PolarHBondContact SD-OH 2.79Å
242Q91.5Very high87Confident12 Ų1271.5 Ų71.56%0.05638%0.379CS..EExtended strand (participates in β ladder)trans-140147.9-178.958.6-174.86.600112.4V121 N141 V219 T221 V244V121-Q242 HydrophobicContact CG2-CB 4.05Å; V121-Q242 HydrophobicContact CG2-CG 3.97Å; N141-Q242 PolarHBondContact ND2-NE2 3.47Å; N141-Q242 PolarHBondContact OD1-NE2 2.88Å; N141-Q242 PolarHBondContact OD1-OE1 2.81Å; V219-Q242 HydrophobicContact CG2-CG 3.69Å; V219-Q242 PolarHBondContact N-O 3.37Å; V219-Q242 PolarHBondContact O-N 3.33Å; T221-Q242 PolarHBondContact OG1-NE2 3.44Å; Q242-V244 HydrophobicContact CG-CG2 4.41Å
243Y91.8Very high85.1Confident151 Ų15169.2 Ų69.259%0.59237%0.371SS*.EExtended strand (participates in β ladder)trans-88.1132.9175.3-67.3-88.7000109.7I217 V218I217-Y243 WeakPolarHBondContact O-CA 3.09Å; V218-Y243 HydrophobicContact CG2-CD1 3.62Å; V218-Y243 HydrophobicContact CG2-CE1 3.3Å; V218-Y243 HydrophobicContact CG2-CG 4.46Å
244V92.8Very high82.9Confident1 Ų176 Ų761%0.00638%0.383CS..EExtended strand (participates in β ladder)trans-132.4130.3-176.2-1550000107.7V124 I139 N216 I217 V219 Q242V124-V244 HydrophobicContact CB-CG1 4.13Å; V124-V244 HydrophobicContact CG1-CG1 3.67Å; V124-V244 HydrophobicContact CG2-CG1 3.36Å; I139-V244 HydrophobicContact CD1-CG1 3.94Å; I139-V244 HydrophobicContact CD1-CG2 4.24Å; I139-V244 HydrophobicContact CG1-CG1 4.05Å; N216-V244 CarbonylContact C-O 3.49Å; N216-V244 WeakPolarHBondContact CA-O 3.32Å; I217-V244 HydrophobicContact CG1-CB 4.18Å; I217-V244 WeakPolarHBondContact CG1-O 3Å; I217-V244 PolarHBondContact N-O 3.49Å; I217-V244 PolarHBondContact O-N 2.99Å; V219-V244 HydrophobicContact CB-CG2 4.26Å; V219-V244 HydrophobicContact CG1-CG2 3.95Å; V219-V244 HydrophobicContact CG2-CG2 3.38Å; Q242-V244 HydrophobicContact CG-CG2 4.41Å
245D92.3Very high80.6Confident17 Ų1775.2 Ų75.29%0.09140%0.396CS..EExtended strand (participates in β ladder)trans-82.4118.6173.3-171.1-3000108.9H215 G247 T250H215-D245 PolarHBondContact N-OD1 2.94Å; D245-G247 PolarHBondContact OD1-N 2.96Å; D245-T250 HydrophobicContact CB-CG2 4.03Å
246C92.4Very high78.2Confident0 Ų074.8 Ų74.80%040%0.398CS..SBendtrans-92.5-0.1176.5710000113.4V126 Y128 L137 C207 H215 I217V126-C246 WeakPolarHBondContact CG1-O 3.36Å; Y128-C246 PolarHBondContact OH-O 2.76Å; L137-C246 HydrophobicContact CD1-CB 4.28Å; L137-C246 HydrophobicContact CD2-CB 3.98Å; C207-C246 HydrophobicContact CB-CB 3.95Å; C207-C246 WeakPolarHBondContact CB-O 3.13Å; C207-C246 WeakPolarHBondContact CB-SG 3.47Å; C207-C246 WeakPolarHBondContact SG-CB 3.44Å; C207-C246 CovalentContact SG-SG 2.04Å; C207-C246 PolarHBondContact SG-SG 2.69Å; H215-C246 VanDerWaalsContact CB-SG 3.57Å; H215-C246 PolarHBondContact O-N 3.32Å; H215-C246 PolarHBondContact O-SG 2.85Å; I217-C246 HydrophobicContact CD1-CB 4.18Å; I217-C246 HydrophobicContact CG1-CB 4.4Å
247G89.6Confident75.8Confident20 Ų2079.8 Ų79.821%0.20643%0.43CS..SBendtrans-98.1-46.9-174.500000114.2Y128 C207 H215 D245Y128-G247 WeakPolarHBondContact OH-CA 3.45Å; Y128-G247 PolarHBondContact OH-O 3.35Å; C207-G247 WeakPolarHBondContact O-CA 3.22Å; H215-G247 WeakPolarHBondContact ND1-CA 3.17Å; D245-G247 PolarHBondContact OD1-N 2.96Å
248G82.1Confident73Confident27 Ų2786.5 Ų86.528%0.27844%0.444SS..SBendtrans-118150.8-175.700000113.5V126 T250V126-G248 WeakPolarHBondContact CG2-O 3.44Å; G248-T250 PolarHBondContact O-N 2.91Å
249N81.8Confident70.4Confident111 Ų11188.7 Ų88.759%0.59447%0.465SS*.  trans-66.3105.3167.1-74.1-28.5000109.2V126V126-N249 PolarHBondContact N-OD1 2.81Å; V126-N249 PolarHBondContact O-OD1 3.28Å
250T70.8Confident68.1Low30 Ų3091.2 Ų91.218%0.18448%0.48CS..BIsolated β-bridgetrans-109.2123178.5-177.60000110.8V124 D245 G248V124-T250 HydrophobicContact CB-CG2 3.87Å; V124-T250 HydrophobicContact CG2-CG2 4.02Å; V124-T250 PolarHBondContact N-O 2.84Å; V124-T250 PolarHBondContact O-N 3.39Å; D245-T250 HydrophobicContact CB-CG2 4.03Å; G248-T250 PolarHBondContact O-N 2.91Å
251T63.9Low65.8Low106 Ų10690.1 Ų90.165%0.6549%0.491SS*.SBendtrans-93.26177.342.20000114.4K122K122-T251 CarbonylContact O-C 3.57Å
252A54.3Low63.4Low61 Ų6190.2 Ų90.250%0.50450%0.502SS..  trans174.2141.8159.800000111.3
253I48.8Very low61.5Low83 Ų8395.7 Ų95.743%0.42654%0.538SS..  trans-88.3125.1149.3-65.5177.1000106.5G255I253-G255 VanDerWaalsContact C-N 3.34Å; I253-G255 PolarHBondContact O-N 3.11Å
254R45.9Very low59.4Low230 Ų23093.5 Ų93.587%0.86855%0.552SS**  trans-57.797.6166.7-75.4-178.1176.2-178.9-1.1108.3N256R254-N256 PolarHBondContact O-N 3.12Å
255G41.9Very low57Low63 Ų63106.2 Ų106.265%0.64961%0.611SS**  trans-58.3103.3166.200000108.4I253 T257I253-G255 VanDerWaalsContact C-N 3.34Å; I253-G255 PolarHBondContact O-N 3.11Å; G255-T257 PolarHBondContact O-N 2.91Å
256N43.3Very low55.2Low136 Ų136110.7 Ų110.773%0.72764%0.637SS**  trans-6883.4170.3-113.118.6000107.5R254 R258R254-N256 PolarHBondContact O-N 3.12Å; N256-R258 PolarHBondContact O-N 3.24Å
257T42.7Very low53.3Low133 Ų133116.5 Ų116.582%0.81667%0.671SS**  trans-65.490.9154.630.50000106.6G255 P259G255-T257 PolarHBondContact O-N 2.91Å; T257-P259 WeakPolarHBondContact O-CD 3.49Å
258R34.7Very low51.3Low213 Ų213121.8 Ų121.880%0.80470%0.696SS**  trans-66.5116.3160.5-77-176.1176178.4-0106.3N256 I260N256-R258 PolarHBondContact O-N 3.24Å; R258-I260 PolarHBondContact O-N 3.4Å
259P40.1Very low49.4Very low120 Ų120127.4 Ų127.478%0.77972%0.721SS**  trans-63.6126.7161.826.9-29.3000106.8T257 G261T257-P259 WeakPolarHBondContact O-CD 3.49Å; P259-G261 PolarHBondContact O-N 3.25Å
260I45.6Very low47.4Very low165 Ų165128.4 Ų128.485%0.84673%0.729SS**  trans-57.8105.9167.1-66.6173.2000105.6R258 N262R258-I260 PolarHBondContact O-N 3.4Å; I260-N262 PolarHBondContact O-N 3.07Å
261G42.7Very low45.9Very low63 Ų63135 Ų13565%0.64977%0.765SS**PPolyproline II helixtrans-61.6129.7172.800000108.8P259P259-G261 PolarHBondContact O-N 3.25Å
262N41.5Very low44.6Very low153 Ų153137.1 Ų137.182%0.81877%0.774SS**PPolyproline II helixtrans-51.5140.5168.9-72.6-17.3000109.8I260 A264I260-N262 PolarHBondContact O-N 3.07Å; N262-A264 PolarHBondContact O-N 3.04Å
263P52.3Low43.8Very low126 Ų126142.9 Ų142.982%0.81879%0.794SS**PPolyproline II helixtrans-63.1128.9166.726.3-29.7000108.5
264A47.4Very low43.4Very low106 Ų106147.9 Ų147.988%0.87683%0.825SS**PPolyproline II helixtrans-64.5130.5168.600000109N262N262-A264 PolarHBondContact O-N 3.04Å
265E42.9Very low43.2Very low267 Ų267140.5 Ų140.5100%1.24882%0.821SS**  trans-107.20158.3-158176.3174.600107.7

Retrieved 265 of 265 residues in 39.6 ms (Link to these results)