A0A096LYJ3_POEFO Loading...

Aspartyl beta-hydroxylase/Triadin domain-containing protein

AlphaFold DB , UniProt , Accession A0A096LYJ3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 503 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
1M38Very low40.7Very low254 Ų254146.1 Ų146.1100%1.25184%0.844SS**  0154.90-80.1-177.5168.300108.6
2A38.9Very low40.2Very low92 Ų92151.1 Ų151.176%0.7685%0.848SS**  trans-89.6153-152.700000116.3
3S44.4Very low40.2Very low108 Ų108144.2 Ų144.276%0.75583%0.832SS**  trans23.6133.9135.3-42.90000120.6
4K42.7Very low40.2Very low198 Ų198147.6 Ų147.686%0.86183%0.832SS**  172.3114.1108.7-96.1174.9178.4-177.90113.3
5K43.9Very low40.3Very low203 Ų203146.9 Ų146.988%0.88383%0.825SS**  160.8123.6113.6-95-166.1172.9-169.80113.4
6A42.3Very low40.4Very low91 Ų91143.3 Ų143.375%0.75282%0.82SS**  trans-83.7179.1140.600000108.3
7S43.4Very low40Very low109 Ų109138.2 Ų138.276%0.76281%0.806SS**  cis-156.7178.37.356.50000109.2
8K34.5Very low40.1Very low184 Ų184141.9 Ų141.980%0.881%0.811SS**  150.3130.3128.3-161.483.9175.7178.60112.3
9S35.2Very low40Very low106 Ų106140.4 Ų140.474%0.74181%0.81SS**  trans51.4114.4153.360.70000122.1
10S39.4Very low40Very low123 Ų123140.7 Ų140.786%0.8681%0.808SS**  -145137.712956.90000108.5
11T44.4Very low40.3Very low139 Ų139141.6 Ų141.685%0.85381%0.809SS**  trans-93.5164.8-167.939.80000114.5
12K35.5Very low40.4Very low206 Ų206134 Ų13490%0.89678%0.781SS**  trans71.396.2164.7-147.475.7175.5-179.80116.7
13G40.4Very low40.8Very low62 Ų62136 Ų13664%0.63979%0.79SS**  trans-86.6-170.315100000111.3
14K39.9Very low40.8Very low192 Ų192139.4 Ų139.484%0.83579%0.79SS**  cis-155141.53.2-136.3169.1178.7-172.60110.6
15D40.8Very low41.2Very low136 Ų136137.8 Ų137.873%0.72779%0.792SS**  trans19.5125.1141.7-62.6-82.4000120.1
16A42.9Very low41Very low90 Ų90131 Ų13174%0.74478%0.779SS**  82.7146.575.200000114.2
17G33Very low41.6Very low57 Ų57136.1 Ų136.159%0.58878%0.784SS**  cis153.2175.8-4.300000112.4
18K41.4Very low41.8Very low204 Ų204139 Ų13989%0.88778%0.783SS**  trans70.4106168.3-31.5129.6-175.5166.40118.1
19S38.2Very low42.8Very low113 Ų113134.5 Ų134.579%0.7977%0.773SS**  -179.4122.7121.9-1600000107.5
20L41.3Very low43.7Very low147 Ų147136.5 Ų136.577%0.7778%0.775SS**  63.6110.259.6-83.7169.5000115.6
21L45.2Very low44.3Very low160 Ų160136 Ų13684%0.83877%0.772SS**  trans85.2132151.3-55.4172.7000120.6
22S40.4Very low44.5Very low94 Ų94132 Ų13266%0.65776%0.759SS**  trans6663.7149.9-164.30000119.5K24S22-K24 PolarHBondContact O-N 3.45Å
23S47.4Very low45.3Very low135 Ų135127.2 Ų127.294%0.94475%0.751SS**  trans-66117.7144.6179.80000108.4
24K45.7Very low45.8Very low178 Ų178129.1 Ų129.177%0.77476%0.755SS**  trans-148.6141.9-179.3-150.6178.9-174.4-171.50109.8S22 G26S22-K24 PolarHBondContact O-N 3.45Å; K24-G26 PolarHBondContact O-N 3.46Å
25N50Low46.4Very low165 Ų165124.4 Ų124.488%0.88275%0.746SS**  trans-46.9116.8-173.8-168.188.3000113.1
26G40.8Very low47Very low61 Ų61121.4 Ų121.463%0.62974%0.736SS**  trans-153.664.1-176.800000110.9K24 K28K24-G26 PolarHBondContact O-N 3.46Å; G26-K28 VanDerWaalsContact C-N 3.25Å; G26-K28 PolarHBondContact O-N 3.15Å
27K53.6Low47.6Very low197 Ų197120.3 Ų120.386%0.85772%0.722SS**  trans-69.289.3169.3-170.3-179.5-176.9-176.10107.6P29K27-P29 VanDerWaalsContact O-CD 3.22Å; K27-P29 WeakPolarHBondContact O-CD 3.3Å
28K47.5Very low48.7Very low169 Ų169120.8 Ų120.874%0.73572%0.716SS**  trans-60.8120.2168.9-73.2-165.7-175.8-173.20109G26G26-K28 VanDerWaalsContact C-N 3.25Å; G26-K28 PolarHBondContact O-N 3.15Å
29P55.8Low49.7Very low91 Ų91115 Ų11559%0.59170%0.699SS**SBendtrans-63.3176.3136.333.1-33.3000109.1K27K27-P29 VanDerWaalsContact O-CD 3.22Å; K27-P29 WeakPolarHBondContact O-CD 3.3Å
30D54.2Low51.5Low147 Ų147113.2 Ų113.279%0.78669%0.686SS**  trans68.551.9167.4-35.4-40.7000115.1
31S51.7Low53.2Low113 Ų113112.3 Ų112.379%0.7968%0.676SS**SBendtrans-155.675.3154.4-1700000109.5
32G48.7Very low54.8Low56 Ų56111.6 Ų111.658%0.57767%0.666SS**SBendtrans173.2-29.5-176.600000113.2S34G32-S34 PolarHBondContact O-N 3.33Å
33S52Low57.1Low104 Ų104110.6 Ų110.673%0.72766%0.656SS**THydrogen-bonded Turntrans-77.156.2172.6-1670000112.9
34S51.1Low59.1Low103 Ų103111 Ų11172%0.7264%0.637SS**THydrogen-bonded Turntrans-128.7-6.3163.364.70000112.6G32G32-S34 PolarHBondContact O-N 3.33Å
35S52.6Low61.2Low92 Ų92108.1 Ų108.164%0.64363%0.625SS**SBendtrans-93.7-7.3171.3-159.50000113.1
36S53.9Low63.2Low74 Ų74105.1 Ų105.152%0.51761%0.608SS.*Hα-helixtrans-84.5-16.3-178.7-168.30000113.4S40S36-S40 PolarHBondContact O-OG 3.38Å
37S55.5Low65.7Low67 Ų67106 Ų10647%0.46960%0.601SS.*Hα-helixtrans-77-31.6-178.4-56.10000112.6S40 F41S37-S40 PolarHBondContact O-N 3.47Å; S37-F41 WeakPolarHBondContact O-CD2 3.34Å; S37-F41 WeakPolarHBondContact O-CE2 3.32Å
38S55.6Low67.6Low66 Ų66100.1 Ų100.146%0.46258%0.579SS.*Hα-helixtrans-65.8-41178.3-46.50000111.8S40 F41 F42S38-S40 VanDerWaalsContact C-N 3.28Å; S38-S40 PolarHBondContact O-N 2.94Å; S38-F41 PolarHBondContact O-N 3.26Å; S38-F42 WeakPolarHBondContact O-CD2 3.33Å; S38-F42 PolarHBondContact O-N 3.49Å
39T62.9Low69.8Low84 Ų8495 Ų9552%0.51557%0.567SS.*Hα-helixtrans-60-37.6178.3-46.50000111.8F41 F42 T43T39-F41 VanDerWaalsContact C-N 3.32Å; T39-F41 PolarHBondContact O-N 3.03Å; T39-F42 PolarHBondContact O-N 3.13Å; T39-T43 WeakPolarHBondContact O-CB 3.45Å; T39-T43 PolarHBondContact O-N 3.18Å; T39-T43 PolarHBondContact O-OG1 3.28Å; T39-T43 VanDerWaalsContact O-OG1 3.1Å
40S75.9Confident71.6Confident74 Ų7495.5 Ų95.552%0.51757%0.565SS.*Hα-helixtrans-58.6-40.9178.1-55.60000112.9S36 S37 S38 W44S36-S40 PolarHBondContact O-OG 3.38Å; S37-S40 PolarHBondContact O-N 3.47Å; S38-S40 VanDerWaalsContact C-N 3.28Å; S38-S40 PolarHBondContact O-N 2.94Å; S40-W44 WeakPolarHBondContact O-CB 3.23Å; S40-W44 PolarHBondContact O-N 3.41Å
41F77.4Confident73.6Confident129 Ų12993.4 Ų93.457%0.56655%0.553SS**Hα-helixtrans-72.2-43.3177.6-61.2-69.1000112S37 S38 T39 W44 F45S37-F41 WeakPolarHBondContact O-CD2 3.34Å; S37-F41 WeakPolarHBondContact O-CE2 3.32Å; S38-F41 PolarHBondContact O-N 3.26Å; T39-F41 VanDerWaalsContact C-N 3.32Å; T39-F41 PolarHBondContact O-N 3.03Å; F41-W44 WeakPolarHBondContact O-CB 3.07Å; F41-W44 PolarHBondContact O-N 3.3Å; F41-F45 WeakPolarHBondContact O-CD2 3.49Å; F41-F45 PolarHBondContact O-N 3.11Å
42F78.9Confident75.6Confident145 Ų14589.6 Ų89.664%0.63653%0.532SS*.Hα-helixtrans-64.7-40.3176.3-78.8-71.6000112.6S38 T39 W44 F45 I46S38-F42 WeakPolarHBondContact O-CD2 3.33Å; S38-F42 PolarHBondContact O-N 3.49Å; T39-F42 PolarHBondContact O-N 3.13Å; F42-W44 VanDerWaalsContact C-N 3.34Å; F42-W44 PolarHBondContact O-N 3.25Å; F42-F45 PolarHBondContact O-N 2.94Å; F42-I46 WeakPolarHBondContact O-CD1 3.22Å; F42-I46 VanDerWaalsContact O-CG1 3.27Å; F42-I46 WeakPolarHBondContact O-CG1 3.28Å; F42-I46 PolarHBondContact O-N 2.82Å
43T88.6Confident77.8Confident73 Ų7391.2 Ų91.245%0.44853%0.53SS..Hα-helixtrans-64-38.4172.5-60.30000111.5T39 I46 V47T39-T43 WeakPolarHBondContact O-CB 3.45Å; T39-T43 PolarHBondContact O-N 3.18Å; T39-T43 PolarHBondContact O-OG1 3.28Å; T39-T43 VanDerWaalsContact O-OG1 3.1Å; T43-I46 PolarHBondContact O-N 3.31Å; T43-V47 WeakPolarHBondContact O-CG2 3.26Å; T43-V47 PolarHBondContact O-N 2.8Å
44W90Very high79.8Confident142 Ų14295.7 Ų95.754%0.53853%0.531SS..Hα-helixtrans-63-43.9173178.266000112.2S40 F41 F42 I46 V47 L48S40-W44 WeakPolarHBondContact O-CB 3.23Å; S40-W44 PolarHBondContact O-N 3.41Å; F41-W44 WeakPolarHBondContact O-CB 3.07Å; F41-W44 PolarHBondContact O-N 3.3Å; F42-W44 VanDerWaalsContact C-N 3.34Å; F42-W44 PolarHBondContact O-N 3.25Å; W44-I46 PolarHBondContact O-N 3.21Å; W44-V47 PolarHBondContact O-N 3.07Å; W44-L48 HydrophobicContact CD2-CD1 3.83Å; W44-L48 HydrophobicContact CD2-CG 4.38Å; W44-L48 HydrophobicContact CE3-CD1 4.07Å; W44-L48 HydrophobicContact CH2-CD1 3.87Å; W44-L48 HydrophobicContact CZ2-CD1 3.6Å; W44-L48 HydrophobicContact CZ2-CG 4.49Å; W44-L48 HydrophobicContact CZ3-CD1 4.09Å; W44-L48 WeakPolarHBondContact O-CB 3.15Å; W44-L48 WeakPolarHBondContact O-CG 3.38Å; W44-L48 PolarHBondContact O-N 3.28Å
45F89.1Confident81.7Confident119 Ų11994.3 Ų94.352%0.52252%0.519SS..Hα-helixtrans-64.2-36.1173.9-74.7-61.5000113.1F41 F42 L48 A49F41-F45 WeakPolarHBondContact O-CD2 3.49Å; F41-F45 PolarHBondContact O-N 3.11Å; F42-F45 PolarHBondContact O-N 2.94Å; F45-L48 HydrophobicContact CD1-CD1 4.36Å; F45-L48 PolarHBondContact O-N 3.32Å; F45-A49 VanDerWaalsContact O-CB 3.23Å; F45-A49 WeakPolarHBondContact O-CB 3.19Å; F45-A49 PolarHBondContact O-N 3.03Å
46I91.3Very high83.4Confident101 Ų10193.3 Ų93.352%0.51851%0.511SS..Hα-helixtrans-65.5-42.2173.2-69.1162000110.8F42 T43 W44 A49 L50F42-I46 WeakPolarHBondContact O-CD1 3.22Å; F42-I46 VanDerWaalsContact O-CG1 3.27Å; F42-I46 WeakPolarHBondContact O-CG1 3.28Å; F42-I46 PolarHBondContact O-N 2.82Å; T43-I46 PolarHBondContact O-N 3.31Å; W44-I46 PolarHBondContact O-N 3.21Å; I46-A49 PolarHBondContact O-N 2.94Å; I46-L50 HydrophobicContact CG2-CD1 3.99Å; I46-L50 WeakPolarHBondContact O-CB 3.24Å; I46-L50 VanDerWaalsContact O-CG 3.3Å; I46-L50 WeakPolarHBondContact O-CG 3.45Å; I46-L50 PolarHBondContact O-N 2.85Å
47V93.9Very high85.1Confident81 Ų8194 Ų9449%0.49151%0.513SS..Hα-helixtrans-64.9-42.1175169.20000111.3T43 W44 L51T43-V47 WeakPolarHBondContact O-CG2 3.26Å; T43-V47 PolarHBondContact O-N 2.8Å; W44-V47 PolarHBondContact O-N 3.07Å; V47-L51 WeakPolarHBondContact O-CB 3.15Å; V47-L51 PolarHBondContact O-N 3.3Å
48L94Very high86.6Confident73 Ų7392.6 Ų92.638%0.38251%0.505SS..Hα-helixtrans-64.8-40.5174.2-74.9-179.5000112.6W44 F45 G52W44-L48 HydrophobicContact CD2-CD1 3.83Å; W44-L48 HydrophobicContact CD2-CG 4.38Å; W44-L48 HydrophobicContact CE3-CD1 4.07Å; W44-L48 HydrophobicContact CH2-CD1 3.87Å; W44-L48 HydrophobicContact CZ2-CD1 3.6Å; W44-L48 HydrophobicContact CZ2-CG 4.49Å; W44-L48 HydrophobicContact CZ3-CD1 4.09Å; W44-L48 WeakPolarHBondContact O-CB 3.15Å; W44-L48 WeakPolarHBondContact O-CG 3.38Å; W44-L48 PolarHBondContact O-N 3.28Å; F45-L48 HydrophobicContact CD1-CD1 4.36Å; F45-L48 PolarHBondContact O-N 3.32Å; L48-G52 PolarHBondContact O-N 3.17Å
49A93.9Very high88.1Confident60 Ų6091.2 Ų91.250%0.49649%0.493SS..Hα-helixtrans-67.1-43.6178.300000111.2F45 I46 G52 V53F45-A49 VanDerWaalsContact O-CB 3.23Å; F45-A49 WeakPolarHBondContact O-CB 3.19Å; F45-A49 PolarHBondContact O-N 3.03Å; I46-A49 PolarHBondContact O-N 2.94Å; A49-G52 PolarHBondContact O-N 3.22Å; A49-V53 WeakPolarHBondContact O-CG2 3.48Å; A49-V53 PolarHBondContact O-N 3.43Å
50L93.6Very high89.2Confident102 Ų10292.2 Ų92.253%0.53450%0.499SS..Hα-helixtrans-62.9-50173.4-72.2169000110.9I46 G52 V53 W54I46-L50 HydrophobicContact CG2-CD1 3.99Å; I46-L50 WeakPolarHBondContact O-CB 3.24Å; I46-L50 VanDerWaalsContact O-CG 3.3Å; I46-L50 WeakPolarHBondContact O-CG 3.45Å; I46-L50 PolarHBondContact O-N 2.85Å; L50-G52 VanDerWaalsContact C-N 3.27Å; L50-G52 PolarHBondContact O-N 3.17Å; L50-V53 PolarHBondContact O-N 2.81Å; L50-V53 VanDerWaalsContact O-N 3.14Å; L50-W54 VanDerWaalsContact O-CD1 3.26Å; L50-W54 PolarHBondContact O-N 3.19Å
51L94.9Very high89.7Confident103 Ų10397.5 Ų97.554%0.53951%0.509SS..Hα-helixtrans-58.8-40.4177.5-175.161.7000111.5V47 W54 T55V47-L51 WeakPolarHBondContact O-CB 3.15Å; V47-L51 PolarHBondContact O-N 3.3Å; L51-W54 PolarHBondContact O-N 2.91Å; L51-T55 HydrophobicContact CD1-CG2 4.44Å; L51-T55 WeakPolarHBondContact O-CG2 3.23Å; L51-T55 PolarHBondContact O-N 3.19Å; L51-T55 PolarHBondContact O-OG1 2.84Å; L51-T55 VanDerWaalsContact O-OG1 3.05Å
52G95Very high89.9Confident34 Ų3498.3 Ų98.335%0.35151%0.513SS..Hα-helixtrans-65.7-35.5175.400000114.1L48 A49 L50 T55 S56L48-G52 PolarHBondContact O-N 3.17Å; A49-G52 PolarHBondContact O-N 3.22Å; L50-G52 VanDerWaalsContact C-N 3.27Å; L50-G52 PolarHBondContact O-N 3.17Å; G52-T55 WeakPolarHBondContact CA-OG1 3.42Å; G52-T55 PolarHBondContact O-OG1 2.74Å; G52-S56 WeakPolarHBondContact O-CB 3.06Å; G52-S56 PolarHBondContact O-N 2.65Å
53V93.4Very high90Very high90 Ų9097.3 Ų97.355%0.54551%0.514SS..Hα-helixtrans-68.5-44.2171.9167.50000110.7A49 L50 S56 V57A49-V53 WeakPolarHBondContact O-CG2 3.48Å; A49-V53 PolarHBondContact O-N 3.43Å; L50-V53 PolarHBondContact O-N 2.81Å; L50-V53 VanDerWaalsContact O-N 3.14Å; V53-S56 PolarHBondContact O-N 3.47Å; V53-V57 WeakPolarHBondContact O-CG2 3.46Å; V53-V57 PolarHBondContact O-N 2.89Å
54W93.7Very high89.6Confident198 Ų19899.8 Ų99.875%0.7552%0.524SS*.Hα-helixtrans-66.1-39.7177.8-81.486.9000112.5L50 L51 A58L50-W54 VanDerWaalsContact O-CD1 3.26Å; L50-W54 PolarHBondContact O-N 3.19Å; L51-W54 PolarHBondContact O-N 2.91Å; W54-A58 WeakPolarHBondContact O-CB 3.32Å; W54-A58 PolarHBondContact O-N 2.63Å
55T91Very high88.9Confident74 Ų7495 Ų9545%0.45451%0.511SS..Hα-helixtrans-72.8-34.6174.555.70000112.6L51 G52 A58 V59L51-T55 HydrophobicContact CD1-CG2 4.44Å; L51-T55 WeakPolarHBondContact O-CG2 3.23Å; L51-T55 PolarHBondContact O-N 3.19Å; L51-T55 PolarHBondContact O-OG1 2.84Å; L51-T55 VanDerWaalsContact O-OG1 3.05Å; G52-T55 WeakPolarHBondContact CA-OG1 3.42Å; G52-T55 PolarHBondContact O-OG1 2.74Å; T55-A58 PolarHBondContact O-N 2.71Å; T55-V59 WeakPolarHBondContact O-CG2 3.22Å; T55-V59 PolarHBondContact O-N 2.77Å
56S88.9Confident88.6Confident70 Ų7094 Ų9449%0.4951%0.51SS..Hα-helixtrans-61.8-47.4172.5179.40000111.6G52 V53 A58 V59 V60G52-S56 WeakPolarHBondContact O-CB 3.06Å; G52-S56 PolarHBondContact O-N 2.65Å; V53-S56 PolarHBondContact O-N 3.47Å; S56-A58 VanDerWaalsContact C-N 3.31Å; S56-A58 PolarHBondContact O-N 2.6Å; S56-V59 PolarHBondContact O-N 2.88Å; S56-V60 WeakPolarHBondContact O-CG2 3.36Å; S56-V60 PolarHBondContact O-N 2.71Å
57V89Confident87.9Confident90 Ų9095.5 Ų95.555%0.54551%0.51SS..Hα-helixtrans-60.3-40.4173.7170.70000111.1V53 Y61V53-V57 WeakPolarHBondContact O-CG2 3.46Å; V53-V57 PolarHBondContact O-N 2.89Å; V57-Y61 WeakPolarHBondContact O-CB 3.43Å; V57-Y61 PolarHBondContact O-N 3.32Å
58A87.6Confident87.2Confident37 Ų3797.4 Ų97.431%0.30651%0.514SS..Hα-helixtrans-64.2-45.2175.100000112.9W54 T55 S56 V60 Y61 F62W54-A58 WeakPolarHBondContact O-CB 3.32Å; W54-A58 PolarHBondContact O-N 2.63Å; T55-A58 PolarHBondContact O-N 2.71Å; S56-A58 VanDerWaalsContact C-N 3.31Å; S56-A58 PolarHBondContact O-N 2.6Å; A58-V60 VanDerWaalsContact C-N 3.33Å; A58-V60 PolarHBondContact O-N 3.03Å; A58-Y61 PolarHBondContact O-N 2.89Å; A58-F62 HydrophobicContact CB-CD2 4.44Å; A58-F62 WeakPolarHBondContact O-CB 3.43Å; A58-F62 WeakPolarHBondContact O-CD2 3.27Å; A58-F62 PolarHBondContact O-N 3.46Å
59V87.2Confident86.5Confident36 Ų3695.7 Ų95.722%0.21851%0.514CS..Hα-helixtrans-60.6-42.2178.1167.80000111.3T55 S56 D63 L64 V65 Y67T55-V59 WeakPolarHBondContact O-CG2 3.22Å; T55-V59 PolarHBondContact O-N 2.77Å; S56-V59 PolarHBondContact O-N 2.88Å; V59-D63 WeakPolarHBondContact O-CA 3.2Å; V59-D63 PolarHBondContact O-N 3.11Å; V59-L64 PolarHBondContact O-N 2.97Å; V59-L64 VanDerWaalsContact O-N 3.1Å; V59-V65 HydrophobicContact CG1-CB 4.16Å; V59-V65 HydrophobicContact CG1-CG2 3.86Å; V59-Y67 WeakPolarHBondContact CG1-OH 3.15Å
60V86.7Confident85.5Confident106 Ų10696.8 Ų96.864%0.64251%0.514SS*.Hα-helixtrans-73.7-35.8177.8174.90000112.5S56 A58S56-V60 WeakPolarHBondContact O-CG2 3.36Å; S56-V60 PolarHBondContact O-N 2.71Å; A58-V60 VanDerWaalsContact C-N 3.33Å; A58-V60 PolarHBondContact O-N 3.03Å
61Y86.5Confident84.5Confident185 Ų18596.2 Ų96.273%0.72551%0.511SS*.Hα-helixtrans-76.4-34.8-177.7-177.9-96.8000113.4V57 A58V57-Y61 WeakPolarHBondContact O-CB 3.43Å; V57-Y61 PolarHBondContact O-N 3.32Å; A58-Y61 PolarHBondContact O-N 2.89Å
62F81.4Confident83.8Confident146 Ų14695.8 Ų95.864%0.6451%0.51SS*.THydrogen-bonded Turntrans-94.7-0.7178.3-72-74.6000113.9A58 L64A58-F62 HydrophobicContact CB-CD2 4.44Å; A58-F62 WeakPolarHBondContact O-CB 3.43Å; A58-F62 WeakPolarHBondContact O-CD2 3.27Å; A58-F62 PolarHBondContact O-N 3.46Å; F62-L64 HydrophobicContact CB-CB 4.27Å; F62-L64 PolarHBondContact O-N 2.79Å
63D80.6Confident82.7Confident123 Ų123100.1 Ų100.166%0.65852%0.518SS*.THydrogen-bonded Turntrans47.739.4-170.4-154.222.7000111.9V59 V65V59-D63 WeakPolarHBondContact O-CA 3.2Å; V59-D63 PolarHBondContact O-N 3.11Å; D63-V65 PolarHBondContact O-N 3.24Å; D63-V65 VanDerWaalsContact O-N 3.07Å
64L80.5Confident81.8Confident125 Ų12597.5 Ų97.565%0.65451%0.507SS*.  trans-69.9-11.7-164-172.459000113.3V59 F62V59-L64 PolarHBondContact O-N 2.97Å; V59-L64 VanDerWaalsContact O-N 3.1Å; F62-L64 HydrophobicContact CB-CB 4.27Å; F62-L64 PolarHBondContact O-N 2.79Å
65V75Confident80.7Confident43 Ų4392.7 Ų92.726%0.26149%0.491SS..SBendtrans-125.397.9177.1177.60000107.1V59 D63 Y67 V70V59-V65 HydrophobicContact CG1-CB 4.16Å; V59-V65 HydrophobicContact CG1-CG2 3.86Å; D63-V65 PolarHBondContact O-N 3.24Å; D63-V65 VanDerWaalsContact O-N 3.07Å; V65-Y67 VanDerWaalsContact C-N 3.29Å; V65-Y67 HydrophobicContact CB-CE1 4.25Å; V65-Y67 HydrophobicContact CB-CE2 4.32Å; V65-Y67 HydrophobicContact CG1-CD1 3.76Å; V65-Y67 HydrophobicContact CG1-CD2 4.47Å; V65-Y67 HydrophobicContact CG1-CE1 3.73Å; V65-Y67 HydrophobicContact CG1-CE2 4.44Å; V65-Y67 HydrophobicContact CG1-CG 4.15Å; V65-Y67 WeakPolarHBondContact O-CD2 3.1Å; V65-Y67 VanDerWaalsContact O-CE2 3.3Å; V65-Y67 WeakPolarHBondContact O-CE2 3.48Å; V65-Y67 PolarHBondContact O-N 3.38Å; V65-V70 HydrophobicContact CG1-CB 4.34Å; V65-V70 HydrophobicContact CG1-CG2 4.1Å
66D83.1Confident79.8Confident97 Ų9790.6 Ų90.652%0.51948%0.484SS..  trans-62.698.6160.7172.52.2000107.5Q68 G69 V70D66-Q68 PolarHBondContact O-N 3.2Å; D66-Q68 WeakPolarHBondContact OD1-CA 3.37Å; D66-Q68 PolarHBondContact OD1-N 3.04Å; D66-G69 VanDerWaalsContact CG-N 3.29Å; D66-G69 PolarHBondContact O-N 3.07Å; D66-G69 PolarHBondContact OD1-N 2.85Å; D66-G69 PolarHBondContact OD2-N 2.8Å; D66-V70 WeakPolarHBondContact O-CB 3.18Å; D66-V70 WeakPolarHBondContact O-CG2 3.23Å; D66-V70 PolarHBondContact O-N 2.83Å
67Y76.8Confident79Confident132 Ų13291.9 Ų91.952%0.51848%0.484SS..Hα-helixtrans-62.5-24-177.3-66.5-82.6000112.6V59 V65 L71V59-Y67 WeakPolarHBondContact CG1-OH 3.15Å; V65-Y67 VanDerWaalsContact C-N 3.29Å; V65-Y67 HydrophobicContact CB-CE1 4.25Å; V65-Y67 HydrophobicContact CB-CE2 4.32Å; V65-Y67 HydrophobicContact CG1-CD1 3.76Å; V65-Y67 HydrophobicContact CG1-CD2 4.47Å; V65-Y67 HydrophobicContact CG1-CE1 3.73Å; V65-Y67 HydrophobicContact CG1-CE2 4.44Å; V65-Y67 HydrophobicContact CG1-CG 4.15Å; V65-Y67 WeakPolarHBondContact O-CD2 3.1Å; V65-Y67 VanDerWaalsContact O-CE2 3.3Å; V65-Y67 WeakPolarHBondContact O-CE2 3.48Å; V65-Y67 PolarHBondContact O-N 3.38Å; Y67-L71 WeakPolarHBondContact O-CB 3.12Å; Y67-L71 VanDerWaalsContact O-CD1 3.3Å; Y67-L71 WeakPolarHBondContact O-CD1 3.07Å; Y67-L71 WeakPolarHBondContact O-CG 3.3Å; Y67-L71 PolarHBondContact O-N 3.26Å
68Q78.3Confident77.9Confident122 Ų12294.1 Ų94.157%0.5749%0.489SS*.Hα-helixtrans-79.6-49.9174.8-62-62.2-14.100110.8D66 V70 L71 D72D66-Q68 PolarHBondContact O-N 3.2Å; D66-Q68 WeakPolarHBondContact OD1-CA 3.37Å; D66-Q68 PolarHBondContact OD1-N 3.04Å; Q68-V70 VanDerWaalsContact C-N 3.27Å; Q68-V70 PolarHBondContact O-N 3.48Å; Q68-L71 PolarHBondContact O-N 3.38Å; Q68-L71 VanDerWaalsContact O-N 3.12Å; Q68-D72 PolarHBondContact O-N 3.26Å
69G78.8Confident77Confident36 Ų3697.6 Ų97.637%0.37150%0.501SS..Hα-helixtrans-55.9-41.7174.400000112.5D66 K73D66-G69 VanDerWaalsContact CG-N 3.29Å; D66-G69 PolarHBondContact O-N 3.07Å; D66-G69 PolarHBondContact OD1-N 2.85Å; D66-G69 PolarHBondContact OD2-N 2.8Å; G69-K73 VanDerWaalsContact O-CB 3.27Å; G69-K73 WeakPolarHBondContact O-CB 3.33Å; G69-K73 PolarHBondContact O-N 3.22Å
70V72.8Confident76.2Confident83 Ų83100.7 Ų100.750%0.50352%0.516SS..Hα-helixtrans-73.6-35.8175.5175.10000112.3V65 D66 Q68 A74V65-V70 HydrophobicContact CG1-CB 4.34Å; V65-V70 HydrophobicContact CG1-CG2 4.1Å; D66-V70 WeakPolarHBondContact O-CB 3.18Å; D66-V70 WeakPolarHBondContact O-CG2 3.23Å; D66-V70 PolarHBondContact O-N 2.83Å; Q68-V70 VanDerWaalsContact C-N 3.27Å; Q68-V70 PolarHBondContact O-N 3.48Å; V70-A74 WeakPolarHBondContact O-CA 3.4Å; V70-A74 WeakPolarHBondContact O-CB 3.33Å; V70-A74 PolarHBondContact O-N 3.48Å
71L73Confident75.4Confident91 Ų9199.7 Ų99.748%0.47651%0.507SS..Hα-helixtrans-66.7-38.3173.4-82.4169.4000112.4Y67 Q68 A74 K75Y67-L71 WeakPolarHBondContact O-CB 3.12Å; Y67-L71 VanDerWaalsContact O-CD1 3.3Å; Y67-L71 WeakPolarHBondContact O-CD1 3.07Å; Y67-L71 WeakPolarHBondContact O-CG 3.3Å; Y67-L71 PolarHBondContact O-N 3.26Å; Q68-L71 PolarHBondContact O-N 3.38Å; Q68-L71 VanDerWaalsContact O-N 3.12Å; L71-A74 PolarHBondContact O-N 3.4Å; L71-K75 WeakPolarHBondContact O-CD 3.11Å; L71-K75 WeakPolarHBondContact O-CE 3.34Å; L71-K75 WeakPolarHBondContact O-CG 3.47Å; L71-K75 PolarHBondContact O-N 3.43Å
72D79.9Confident74.4Confident94 Ų9493.5 Ų93.550%0.50349%0.491SS..Hα-helixtrans-74.9-40.5177.9-75.1-20.8000111.7Q68 A74 K75 G76Q68-D72 PolarHBondContact O-N 3.26Å; D72-A74 VanDerWaalsContact C-N 3.28Å; D72-A74 PolarHBondContact O-N 2.84Å; D72-K75 PolarHBondContact O-N 3.48Å; D72-K75 WeakPolarHBondContact OD1-CD 3.34Å; D72-K75 WeakPolarHBondContact OD1-CE 3.4Å; D72-K75 IonicContact OD1-NZ 2.56Å; D72-K75 PolarHBondContact OD1-NZ 3.42Å; D72-G76 PolarHBondContact O-N 2.87Å
73K72.9Confident73.9Confident124 Ų12492.8 Ų92.854%0.53949%0.489SS..Hα-helixtrans-64.5-32.8170-155.5153.2-168.1155.30111G69 G76 I77 E164G69-K73 VanDerWaalsContact O-CB 3.27Å; G69-K73 WeakPolarHBondContact O-CB 3.33Å; G69-K73 PolarHBondContact O-N 3.22Å; K73-G76 PolarHBondContact O-N 2.87Å; K73-I77 HydrophobicContact CG-CD1 4.28Å; K73-I77 WeakPolarHBondContact O-CB 2.95Å; K73-I77 WeakPolarHBondContact O-CD1 3.38Å; K73-I77 WeakPolarHBondContact O-CG1 3.47Å; K73-I77 PolarHBondContact O-N 3.47Å; K73-E164 IonicContact NZ-OE1 3.1Å; K73-E164 IonicContact NZ-OE2 2.63Å; K73-E164 PolarHBondContact NZ-OE2 2.78Å; K73-E164 VanDerWaalsContact NZ-OE2 3.1Å
74A74.4Confident73.2Confident36 Ų3690.3 Ų90.330%0.29848%0.479SS..Hα-helixtrans-71.8-35.5173.200000113.7V70 L71 D72 I77 Q78V70-A74 WeakPolarHBondContact O-CA 3.4Å; V70-A74 WeakPolarHBondContact O-CB 3.33Å; V70-A74 PolarHBondContact O-N 3.48Å; L71-A74 PolarHBondContact O-N 3.4Å; D72-A74 VanDerWaalsContact C-N 3.28Å; D72-A74 PolarHBondContact O-N 2.84Å; A74-I77 PolarHBondContact O-N 2.89Å; A74-Q78 WeakPolarHBondContact O-CB 3.48Å; A74-Q78 WeakPolarHBondContact O-CG 3.15Å; A74-Q78 PolarHBondContact O-N 3Å
75K71Confident72.5Confident97 Ų9788.4 Ų88.442%0.42247%0.469SS..Hα-helixtrans-64.1-45.2170.2-69.7158.7-151.4162.60110.4L71 D72 Q78 I79L71-K75 WeakPolarHBondContact O-CD 3.11Å; L71-K75 WeakPolarHBondContact O-CE 3.34Å; L71-K75 WeakPolarHBondContact O-CG 3.47Å; L71-K75 PolarHBondContact O-N 3.43Å; D72-K75 PolarHBondContact O-N 3.48Å; D72-K75 WeakPolarHBondContact OD1-CD 3.34Å; D72-K75 WeakPolarHBondContact OD1-CE 3.4Å; D72-K75 IonicContact OD1-NZ 2.56Å; D72-K75 PolarHBondContact OD1-NZ 3.42Å; K75-Q78 PolarHBondContact O-N 3.34Å; K75-I79 WeakPolarHBondContact O-CG1 3.4Å; K75-I79 PolarHBondContact O-N 2.72Å; K75-I79 VanDerWaalsContact O-N 3.09Å
76G72.6Confident72.3Confident29 Ų2992.8 Ų92.830%0.29949%0.486SS..Hα-helixtrans-58.4-47.6173.500000112.2D72 K73 I79 N80D72-G76 PolarHBondContact O-N 2.87Å; K73-G76 PolarHBondContact O-N 2.87Å; G76-I79 PolarHBondContact O-N 2.82Å; G76-N80 PolarHBondContact O-N 3.24Å; G76-N80 PolarHBondContact O-ND2 3.36Å
77I71.3Confident71.7Confident98 Ų9890.5 Ų90.550%0.50349%0.486SS..Hα-helixtrans-63.6-40.5174.8-71163.3000111K73 A74 I79 N80 L81K73-I77 HydrophobicContact CG-CD1 4.28Å; K73-I77 WeakPolarHBondContact O-CB 2.95Å; K73-I77 WeakPolarHBondContact O-CD1 3.38Å; K73-I77 WeakPolarHBondContact O-CG1 3.47Å; K73-I77 PolarHBondContact O-N 3.47Å; A74-I77 PolarHBondContact O-N 2.89Å; I77-I79 VanDerWaalsContact C-N 3.32Å; I77-I79 PolarHBondContact O-N 3.48Å; I77-N80 PolarHBondContact O-N 3.1Å; I77-L81 HydrophobicContact CG2-CB 4.37Å; I77-L81 WeakPolarHBondContact O-CA 3.44Å; I77-L81 WeakPolarHBondContact O-CB 3.49Å; I77-L81 PolarHBondContact O-N 2.83Å
78Q65.4Low71.5Confident137 Ų13790.6 Ų90.664%0.6449%0.489SS*.Hα-helixtrans-61.6-39.8178-82.7179.2-5.700112.4A74 K75 S82A74-Q78 WeakPolarHBondContact O-CB 3.48Å; A74-Q78 WeakPolarHBondContact O-CG 3.15Å; A74-Q78 PolarHBondContact O-N 3Å; K75-Q78 PolarHBondContact O-N 3.34Å; Q78-S82 VanDerWaalsContact O-CB 3.31Å; Q78-S82 WeakPolarHBondContact O-CB 3.31Å; Q78-S82 PolarHBondContact O-N 3.25Å; Q78-S82 PolarHBondContact O-OG 3.31Å
79I69.3Low71Confident109 Ų10989.2 Ų89.256%0.55949%0.485SS*.Hα-helixtrans-65.1-54.6175.4-64.8163.3000110K75 G76 I77 L81 S82 E83K75-I79 WeakPolarHBondContact O-CG1 3.4Å; K75-I79 PolarHBondContact O-N 2.72Å; K75-I79 VanDerWaalsContact O-N 3.09Å; G76-I79 PolarHBondContact O-N 2.82Å; I77-I79 VanDerWaalsContact C-N 3.32Å; I77-I79 PolarHBondContact O-N 3.48Å; I79-L81 VanDerWaalsContact C-N 3.31Å; I79-L81 PolarHBondContact O-N 2.87Å; I79-S82 PolarHBondContact O-N 3.47Å; I79-S82 PolarHBondContact O-OG 3.35Å; I79-E83 PolarHBondContact O-N 3.24Å
80N69.8Low70.9Confident101 Ų10190.7 Ų90.754%0.5449%0.494SS..Hα-helixtrans-64.8-32.6-179.3-75.8-91.4000112.8G76 I77 T84G76-N80 PolarHBondContact O-N 3.24Å; G76-N80 PolarHBondContact O-ND2 3.36Å; I77-N80 PolarHBondContact O-N 3.1Å; N80-T84 WeakPolarHBondContact O-CB 3.27Å; N80-T84 VanDerWaalsContact O-CG2 3.3Å; N80-T84 WeakPolarHBondContact O-CG2 3.3Å; N80-T84 PolarHBondContact O-N 2.82Å; N80-T84 PolarHBondContact O-OG1 3.21Å
81L69.9Low71.2Confident85 Ų8589.9 Ų89.945%0.44550%0.496SS..Hα-helixtrans-75.8-35.9176.4-174.562.2000110.6I77 I79 E83 T84 L85I77-L81 HydrophobicContact CG2-CB 4.37Å; I77-L81 WeakPolarHBondContact O-CA 3.44Å; I77-L81 WeakPolarHBondContact O-CB 3.49Å; I77-L81 PolarHBondContact O-N 2.83Å; I79-L81 VanDerWaalsContact C-N 3.31Å; I79-L81 PolarHBondContact O-N 2.87Å; L81-E83 VanDerWaalsContact C-N 3.34Å; L81-T84 WeakPolarHBondContact CA-OG1 3.18Å; L81-L85 HydrophobicContact CD1-CD1 4Å; L81-L85 HydrophobicContact CD1-CG 3.92Å; L81-L85 HydrophobicContact CG-CD1 3.81Å; L81-L85 HydrophobicContact CG-CG 4.19Å; L81-L85 WeakPolarHBondContact O-CB 3.41Å; L81-L85 WeakPolarHBondContact O-CG 3.23Å; L81-L85 PolarHBondContact O-N 2.9Å
82S65.1Low71.5Confident55 Ų5591.6 Ų91.639%0.38550%0.497SS..Hα-helixtrans-63.8-41.8170.771.30000111.4Q78 I79 Q86Q78-S82 VanDerWaalsContact O-CB 3.31Å; Q78-S82 WeakPolarHBondContact O-CB 3.31Å; Q78-S82 PolarHBondContact O-N 3.25Å; Q78-S82 PolarHBondContact O-OG 3.31Å; I79-S82 PolarHBondContact O-N 3.47Å; I79-S82 PolarHBondContact O-OG 3.35Å; S82-Q86 VanDerWaalsContact O-CB 3.23Å; S82-Q86 WeakPolarHBondContact O-CB 3.2Å; S82-Q86 WeakPolarHBondContact O-CG 3.41Å; S82-Q86 PolarHBondContact O-N 2.87Å
83E71.4Confident71.9Confident132 Ų13289.1 Ų89.162%0.61748%0.484SS*.Hα-helixtrans-69.5-44.7179.1-170.5176.311800111.8I79 L81 Q86 G87I79-E83 PolarHBondContact O-N 3.24Å; L81-E83 VanDerWaalsContact C-N 3.34Å; E83-Q86 PolarHBondContact O-N 3.18Å; E83-G87 PolarHBondContact O-N 3.3Å
84T65.9Low72.6Confident70 Ų7086 Ų8643%0.42948%0.475SS..Hα-helixtrans-75.7-26178.755.40000113.8N80 L81 K88N80-T84 WeakPolarHBondContact O-CB 3.27Å; N80-T84 VanDerWaalsContact O-CG2 3.3Å; N80-T84 WeakPolarHBondContact O-CG2 3.3Å; N80-T84 PolarHBondContact O-N 2.82Å; N80-T84 PolarHBondContact O-OG1 3.21Å; L81-T84 WeakPolarHBondContact CA-OG1 3.18Å; T84-K88 VanDerWaalsContact O-CB 3.27Å; T84-K88 WeakPolarHBondContact O-CB 3.44Å; T84-K88 WeakPolarHBondContact O-CG 3.39Å; T84-K88 PolarHBondContact O-N 3.39Å
85L66.3Low73Confident86 Ų8688.2 Ų88.245%0.4548%0.482SS..Hα-helixtrans-72.7-44.7167.5-74.9171.9000110.9L81 G87 K88 L89L81-L85 HydrophobicContact CD1-CD1 4Å; L81-L85 HydrophobicContact CD1-CG 3.92Å; L81-L85 HydrophobicContact CG-CD1 3.81Å; L81-L85 HydrophobicContact CG-CG 4.19Å; L81-L85 WeakPolarHBondContact O-CB 3.41Å; L81-L85 WeakPolarHBondContact O-CG 3.23Å; L81-L85 PolarHBondContact O-N 2.9Å; L85-G87 PolarHBondContact O-N 3.33Å; L85-K88 PolarHBondContact O-N 2.69Å; L85-L89 WeakPolarHBondContact O-CB 3.03Å; L85-L89 WeakPolarHBondContact O-CD1 3.32Å; L85-L89 PolarHBondContact O-N 3.04Å
86Q69.9Low73.6Confident134 Ų13486.4 Ų86.463%0.62649%0.491SS*.Hα-helixtrans-60-45.9175.1-76168.71.100111S82 E83 K88 L89 A90S82-Q86 VanDerWaalsContact O-CB 3.23Å; S82-Q86 WeakPolarHBondContact O-CB 3.2Å; S82-Q86 WeakPolarHBondContact O-CG 3.41Å; S82-Q86 PolarHBondContact O-N 2.87Å; E83-Q86 PolarHBondContact O-N 3.18Å; Q86-K88 VanDerWaalsContact C-N 3.32Å; Q86-K88 PolarHBondContact O-N 3.37Å; Q86-L89 PolarHBondContact O-N 2.98Å; Q86-A90 WeakPolarHBondContact O-CB 3.37Å; Q86-A90 PolarHBondContact O-N 2.76Å
87G71.1Confident74.2Confident50 Ų5090.3 Ų90.352%0.51551%0.505SS..Hα-helixtrans-65.2-28.4175.600000114.5E83 L85E83-G87 PolarHBondContact O-N 3.3Å; L85-G87 PolarHBondContact O-N 3.33Å
88K71.9Confident74.8Confident134 Ų13488.3 Ų88.358%0.58351%0.508SS*.Hα-helixtrans-80.8-43.7174.1-78.9174.1179.1175.90112.5T84 L85 Q86 A91 Y92T84-K88 VanDerWaalsContact O-CB 3.27Å; T84-K88 WeakPolarHBondContact O-CB 3.44Å; T84-K88 WeakPolarHBondContact O-CG 3.39Å; T84-K88 PolarHBondContact O-N 3.39Å; L85-K88 PolarHBondContact O-N 2.69Å; Q86-K88 VanDerWaalsContact C-N 3.32Å; Q86-K88 PolarHBondContact O-N 3.37Å; K88-A91 PolarHBondContact O-N 3.35Å; K88-Y92 WeakPolarHBondContact O-CD2 3.27Å
89L68.8Low75.8Confident92 Ų9287 Ų8748%0.48251%0.506SS..Hα-helixtrans-67.2-41.3177.3-9064.8000110.7L85 Q86 A91 Y92 D93L85-L89 WeakPolarHBondContact O-CB 3.03Å; L85-L89 WeakPolarHBondContact O-CD1 3.32Å; L85-L89 PolarHBondContact O-N 3.04Å; Q86-L89 PolarHBondContact O-N 2.98Å; L89-A91 PolarHBondContact O-N 3.1Å; L89-Y92 CarbonylContact O-C 3.55Å; L89-Y92 PolarHBondContact O-N 3.11Å; L89-D93 PolarHBondContact O-N 2.9Å
90A77Confident76.7Confident67 Ų6787.1 Ų87.155%0.55450%0.502SS*.THydrogen-bonded Turntrans-67.5-1.8174.500000114.7Q86Q86-A90 WeakPolarHBondContact O-CB 3.37Å; Q86-A90 PolarHBondContact O-N 2.76Å
91A79.3Confident77.7Confident66 Ų6684.3 Ų84.355%0.54549%0.488SS..THydrogen-bonded Turntrans-100.3-8.5169.200000113K88 L89K88-A91 PolarHBondContact O-N 3.35Å; L89-A91 PolarHBondContact O-N 3.1Å
92Y78.8Confident78.6Confident127 Ų12784.8 Ų84.850%0.49849%0.493SS..THydrogen-bonded Turntrans-111.6-19.4172.6-60-62.4000113K88 L89 T94 D104 L108K88-Y92 WeakPolarHBondContact O-CD2 3.27Å; L89-Y92 CarbonylContact O-C 3.55Å; L89-Y92 PolarHBondContact O-N 3.11Å; Y92-T94 WeakPolarHBondContact O-CG2 3.48Å; Y92-T94 PolarHBondContact O-N 3.36Å; Y92-D104 VanDerWaalsContact O-OD2 3.1Å; Y92-L108 HydrophobicContact CD1-CD1 4.03Å
93D87.8Confident79.7Confident43 Ų4386 Ų8623%0.2349%0.493CS..  trans-61.7109.2156.6178.25.3000109L89 G96 D104L89-D93 PolarHBondContact O-N 2.9Å; D93-G96 WeakPolarHBondContact OD1-CA 3.4Å; D93-G96 PolarHBondContact OD1-N 3.31Å; D93-D104 WeakPolarHBondContact CA-OD2 3.46Å
94T86.8Confident80.6Confident57 Ų5779.8 Ų79.835%0.3546%0.464SS..  trans-119.6-17.3-169.653.60000114.4Y92 D104 V107 L108Y92-T94 WeakPolarHBondContact O-CG2 3.48Å; Y92-T94 PolarHBondContact O-N 3.36Å; T94-D104 WeakPolarHBondContact CA-OD1 3.06Å; T94-D104 PolarHBondContact N-OD1 2.95Å; T94-D104 PolarHBondContact OG1-OD1 3.14Å; T94-V107 HydrophobicContact CG2-CB 4.4Å; T94-V107 HydrophobicContact CG2-CG1 4.33Å; T94-V107 VanDerWaalsContact OG1-CB 3.24Å; T94-V107 WeakPolarHBondContact OG1-CB 3.05Å; T94-V107 WeakPolarHBondContact OG1-CG2 3.05Å; T94-L108 HydrophobicContact CG2-CD2 3.71Å; T94-L108 HydrophobicContact CG2-CG 4.03Å
95D82.8Confident81.7Confident84 Ų8478.4 Ų78.445%0.44946%0.46SS..SBendtrans-116.3-0.5167.359.242.3000116.3K112D95-K112 IonicContact OD2-NZ 2.6Å; D95-K112 PolarHBondContact OD2-NZ 2.89Å
96G84.6Confident82.7Confident59 Ų5977.1 Ų77.161%0.60845%0.451SS*.SBendtrans9226.2152.400000115.9D93D93-G96 WeakPolarHBondContact OD1-CA 3.4Å; D93-G96 PolarHBondContact OD1-N 3.31Å
97D84Confident83.4Confident111 Ų11172.6 Ų72.659%0.59443%0.432SS*.SBendtrans-94.1-22.7176.471.2-0.7000114.1
98G85.8Confident84Confident56 Ų5674.6 Ų74.658%0.57743%0.43SS*.SBendtrans114.55162.500000116.8
99D86.1Confident84.5Confident110 Ų11074.6 Ų74.659%0.58844%0.436SS*.SBendtrans-133.3135.6170.966.6-87.2000114.1D101D99-D101 PolarHBondContact O-N 3.5Å
100F87.4Confident84.9Confident110 Ų11071 Ų7148%0.48242%0.422SS..  trans-72102.3-174.8177.9-105.2000111.6D104 L108F100-D104 WeakPolarHBondContact CA-OD2 3.09Å; F100-D104 HydrophobicContact CD2-CB 3.81Å; F100-D104 HydrophobicContact CE2-CB 3.87Å; F100-L108 HydrophobicContact CE2-CD1 3.88Å
101D90.5Very high84.7Confident43 Ų4372.7 Ų72.723%0.2342%0.421CS..  trans-116.9-162.2-167.9102.3-48.9000113D99 E103 D104 A105D99-D101 PolarHBondContact O-N 3.5Å; D101-E103 VanDerWaalsContact OD1-CA 3.23Å; D101-E103 WeakPolarHBondContact OD1-CA 3.5Å; D101-E103 VanDerWaalsContact OD1-CB 3.26Å; D101-E103 WeakPolarHBondContact OD1-CB 3.35Å; D101-E103 PolarHBondContact OD1-N 2.92Å; D101-E103 WeakPolarHBondContact OD2-CG 3.34Å; D101-E103 PolarHBondContact OD2-N 3.4Å; D101-D104 PolarHBondContact OD1-N 2.86Å; D101-A105 PolarHBondContact O-N 3.33Å
102V89.1Confident84Confident94 Ų9474 Ų7457%0.5741%0.414SS*.Hα-helixtrans-86.3-19.8173-69.50000114.1K106V102-K106 VanDerWaalsContact O-CD 3.28Å; V102-K106 WeakPolarHBondContact O-CD 3.38Å; V102-K106 WeakPolarHBondContact O-CE 3.42Å; V102-K106 WeakPolarHBondContact O-CG 3.36Å; V102-K106 PolarHBondContact O-N 2.79Å; V102-K106 PolarHBondContact O-NZ 3.05Å
103E87.6Confident83.1Confident82 Ų8274.8 Ų74.838%0.38342%0.422SS..Hα-helixtrans-66.8-41.5167.6-51.7-36.2-44.500111.1D101 K106 V107 K112D101-E103 VanDerWaalsContact OD1-CA 3.23Å; D101-E103 WeakPolarHBondContact OD1-CA 3.5Å; D101-E103 VanDerWaalsContact OD1-CB 3.26Å; D101-E103 WeakPolarHBondContact OD1-CB 3.35Å; D101-E103 PolarHBondContact OD1-N 2.92Å; D101-E103 WeakPolarHBondContact OD2-CG 3.34Å; D101-E103 PolarHBondContact OD2-N 3.4Å; E103-K106 WeakPolarHBondContact O-CB 3.41Å; E103-K106 PolarHBondContact O-N 2.85Å; E103-K106 VanDerWaalsContact O-N 3.11Å; E103-K106 WeakPolarHBondContact OE1-CD 3.45Å; E103-K106 IonicContact OE1-NZ 2.74Å; E103-K106 PolarHBondContact OE1-NZ 2.6Å; E103-K106 IonicContact OE2-NZ 2.65Å; E103-K106 PolarHBondContact OE2-NZ 2.77Å; E103-V107 PolarHBondContact O-N 2.81Å; E103-K112 PolarHBondContact O-NZ 3.43Å
104D90.4Very high81.6Confident0 Ų080.6 Ų80.60%045%0.446CS..Hα-helixtrans-57.9-51.8171-91.9-22000112.4Y92 D93 T94 F100 D101 K106 V107 L108Y92-D104 VanDerWaalsContact O-OD2 3.1Å; D93-D104 WeakPolarHBondContact CA-OD2 3.46Å; T94-D104 WeakPolarHBondContact CA-OD1 3.06Å; T94-D104 PolarHBondContact N-OD1 2.95Å; T94-D104 PolarHBondContact OG1-OD1 3.14Å; F100-D104 WeakPolarHBondContact CA-OD2 3.09Å; F100-D104 HydrophobicContact CD2-CB 3.81Å; F100-D104 HydrophobicContact CE2-CB 3.87Å; D101-D104 PolarHBondContact OD1-N 2.86Å; D104-K106 PolarHBondContact O-N 3.34Å; D104-V107 WeakPolarHBondContact O-CA 3.43Å; D104-V107 WeakPolarHBondContact O-CB 3.38Å; D104-V107 PolarHBondContact O-N 3.25Å; D104-L108 PolarHBondContact O-N 3.46Å
105A89.8Confident80Confident41 Ų4181.1 Ų81.134%0.33946%0.455SS..Hα-helixtrans-56.4-26.5176.700000112.4D101 L109D101-A105 PolarHBondContact O-N 3.33Å; A105-L109 WeakPolarHBondContact O-CB 3.12Å; A105-L109 PolarHBondContact O-N 3.41Å
106K86.6Confident78.3Confident60 Ų6080.3 Ų80.326%0.26146%0.46SS..Hα-helixtrans-80.6-23.3174.1-65.7162.1-155.5117.60113.6V102 E103 D104 L111 K112V102-K106 VanDerWaalsContact O-CD 3.28Å; V102-K106 WeakPolarHBondContact O-CD 3.38Å; V102-K106 WeakPolarHBondContact O-CE 3.42Å; V102-K106 WeakPolarHBondContact O-CG 3.36Å; V102-K106 PolarHBondContact O-N 2.79Å; V102-K106 PolarHBondContact O-NZ 3.05Å; E103-K106 WeakPolarHBondContact O-CB 3.41Å; E103-K106 PolarHBondContact O-N 2.85Å; E103-K106 VanDerWaalsContact O-N 3.11Å; E103-K106 WeakPolarHBondContact OE1-CD 3.45Å; E103-K106 IonicContact OE1-NZ 2.74Å; E103-K106 PolarHBondContact OE1-NZ 2.6Å; E103-K106 IonicContact OE2-NZ 2.65Å; E103-K106 PolarHBondContact OE2-NZ 2.77Å; D104-K106 PolarHBondContact O-N 3.34Å; K106-L111 HydrophobicContact CB-CB 4.23Å; K106-L111 HydrophobicContact CG-CD2 4.11Å; K106-L111 WeakPolarHBondContact O-CB 3.49Å; K106-L111 PolarHBondContact O-N 2.94Å; K106-K112 HydrophobicContact CB-CD 4.34Å; K106-K112 HydrophobicContact CB-CG 4.41Å; K106-K112 PolarHBondContact O-N 3.09Å
107V84.6Confident76.5Confident38 Ų3883.9 Ų83.923%0.2347%0.465CS..Hα-helixtrans-74.1-54.3167.6-171.90000109.1T94 E103 D104 L109 G110 K112T94-V107 HydrophobicContact CG2-CB 4.4Å; T94-V107 HydrophobicContact CG2-CG1 4.33Å; T94-V107 VanDerWaalsContact OG1-CB 3.24Å; T94-V107 WeakPolarHBondContact OG1-CB 3.05Å; T94-V107 WeakPolarHBondContact OG1-CG2 3.05Å; E103-V107 PolarHBondContact O-N 2.81Å; D104-V107 WeakPolarHBondContact O-CA 3.43Å; D104-V107 WeakPolarHBondContact O-CB 3.38Å; D104-V107 PolarHBondContact O-N 3.25Å; V107-L109 VanDerWaalsContact C-N 3.3Å; V107-L109 PolarHBondContact O-N 3.45Å; V107-G110 VanDerWaalsContact O-CA 3.32Å; V107-G110 WeakPolarHBondContact O-CA 3.3Å; V107-G110 PolarHBondContact O-N 3.48Å; V107-K112 HydrophobicContact CB-CD 4.34Å; V107-K112 HydrophobicContact CG2-CD 3.48Å; V107-K112 VanDerWaalsContact CG2-CD 3.48Å
108L83.6Confident74.7Confident92 Ų9282.5 Ų82.548%0.48247%0.47SS..Hα-helixtrans-61.4-34.4-176-65.5173.1000113.1Y92 T94 F100 D104 G110Y92-L108 HydrophobicContact CD1-CD1 4.03Å; T94-L108 HydrophobicContact CG2-CD2 3.71Å; T94-L108 HydrophobicContact CG2-CG 4.03Å; F100-L108 HydrophobicContact CE2-CD1 3.88Å; D104-L108 PolarHBondContact O-N 3.46Å; L108-G110 PolarHBondContact O-N 2.91Å
109L84Confident72.6Confident134 Ų13488.8 Ų88.870%0.70248%0.482SS*.THydrogen-bonded Turntrans-76-1.1173-170.756.3000113.2A105 V107 L111A105-L109 WeakPolarHBondContact O-CB 3.12Å; A105-L109 PolarHBondContact O-N 3.41Å; V107-L109 VanDerWaalsContact C-N 3.3Å; V107-L109 PolarHBondContact O-N 3.45Å; L109-L111 PolarHBondContact O-N 2.8Å
110G76.8Confident70.2Confident18 Ų1889 Ų8919%0.18649%0.487CS..THydrogen-bonded Turntrans65.118.2-175.800000113.5V107 L108 K112 E113 K114V107-G110 VanDerWaalsContact O-CA 3.32Å; V107-G110 WeakPolarHBondContact O-CA 3.3Å; V107-G110 PolarHBondContact O-N 3.48Å; L108-G110 PolarHBondContact O-N 2.91Å; G110-K112 PolarHBondContact O-N 3.28Å; G110-E113 PolarHBondContact O-N 2.82Å; G110-K114 VanDerWaalsContact O-CB 3.23Å; G110-K114 WeakPolarHBondContact O-CB 3.48Å; G110-K114 PolarHBondContact O-N 3.38Å
111L72.6Confident67.9Low102 Ų10292.7 Ų92.753%0.53451%0.505SS..Hα-helixtrans-68.5-37.6-173.8-152.682.9000111.4K106 L109 E113K106-L111 HydrophobicContact CB-CB 4.23Å; K106-L111 HydrophobicContact CG-CD2 4.11Å; K106-L111 WeakPolarHBondContact O-CB 3.49Å; K106-L111 PolarHBondContact O-N 2.94Å; L109-L111 PolarHBondContact O-N 2.8Å; L111-E113 VanDerWaalsContact C-N 3.3Å
112K63.9Low65.8Low94 Ų9495.6 Ų95.641%0.40953%0.529SS..Hα-helixtrans-65.2-30173.3-73.8162.1169.1170.30112.1D95 E103 K106 V107 G110D95-K112 IonicContact OD2-NZ 2.6Å; D95-K112 PolarHBondContact OD2-NZ 2.89Å; E103-K112 PolarHBondContact O-NZ 3.43Å; K106-K112 HydrophobicContact CB-CD 4.34Å; K106-K112 HydrophobicContact CB-CG 4.41Å; K106-K112 PolarHBondContact O-N 3.09Å; V107-K112 HydrophobicContact CB-CD 4.34Å; V107-K112 HydrophobicContact CG2-CD 3.48Å; V107-K112 VanDerWaalsContact CG2-CD 3.48Å; G110-K112 PolarHBondContact O-N 3.28Å
113E61Low63.6Low142 Ų142100.2 Ų100.266%0.66454%0.544SS*.Hα-helixtrans-93.1-47.2-176.3-56.2-170.616800113.6G110 L111 A115 A116G110-E113 PolarHBondContact O-N 2.82Å; L111-E113 VanDerWaalsContact C-N 3.3Å; E113-A115 PolarHBondContact O-N 3.43Å; E113-A115 VanDerWaalsContact O-N 3.13Å; E113-A116 PolarHBondContact O-N 2.91Å
114K55.6Low61.2Low166 Ų166103.4 Ų103.472%0.72256%0.564SS**Hα-helixtrans-65.5-20.6-172.6-159.7122.1-177173.60113.5G110 A116 A118G110-K114 VanDerWaalsContact O-CB 3.23Å; G110-K114 WeakPolarHBondContact O-CB 3.48Å; G110-K114 PolarHBondContact O-N 3.38Å; K114-A116 VanDerWaalsContact C-N 3.31Å; K114-A118 WeakPolarHBondContact O-CB 3.39Å; K114-A118 PolarHBondContact O-N 3.42Å
115A52.4Low58.3Low67 Ų67108.1 Ų108.155%0.55460%0.597SS**Hα-helixtrans-67.9-27.5174.200000113.3E113E113-A115 PolarHBondContact O-N 3.43Å; E113-A115 VanDerWaalsContact O-N 3.13Å
116A47.3Very low55.8Low67 Ų67110.7 Ų110.755%0.55462%0.618SS**Hα-helixtrans-81.6-47.2179.500000112.1E113 K114 A118 F119E113-A116 PolarHBondContact O-N 2.91Å; K114-A116 VanDerWaalsContact C-N 3.31Å; A116-A118 PolarHBondContact O-N 2.93Å; A116-F119 PolarHBondContact O-N 3.4Å
117D48.3Very low53.6Low134 Ų134113.8 Ų113.872%0.71764%0.644SS**Hα-helixtrans-69-35.5-175.2-130.7-103.2000112.2F119D117-F119 PolarHBondContact O-N 2.89Å; D117-F119 VanDerWaalsContact O-N 3.15Å
118A45.5Very low51.4Low83 Ų83116.5 Ų116.569%0.68667%0.671SS**THydrogen-bonded Turntrans-66.1-14.1178.400000114.9K114 A116K114-A118 WeakPolarHBondContact O-CB 3.39Å; K114-A118 PolarHBondContact O-N 3.42Å; A116-A118 PolarHBondContact O-N 2.93Å
119F40.7Very low49.1Very low188 Ų188119.3 Ų119.383%0.82569%0.692SS**THydrogen-bonded Turntrans-108.6-1.4-173-113.9-79.9000115.4A116 D117A116-F119 PolarHBondContact O-N 3.4Å; D117-F119 PolarHBondContact O-N 2.89Å; D117-F119 VanDerWaalsContact O-N 3.15Å
120T35.8Very low47Very low115 Ų115121 Ų12171%0.70670%0.701SS**THydrogen-bonded Turntrans-110.7-6.8-176.261.60000115.1
121H40.6Very low45Very low186 Ų186124.7 Ų124.786%0.86173%0.73SS**  trans-106.167.3177.1-156.173.5000113.7
122S45.9Very low43.4Very low104 Ų104129.4 Ų129.473%0.72775%0.75SS**  trans-145.4150.2163.3-161.70000111.4
123E42.2Very low42Very low191 Ų191132 Ų13289%0.89377%0.768SS**  trans64.577.4173.5-61.1-171.771.600118.7
124D37.4Very low41.6Very low149 Ų149129.9 Ų129.980%0.79777%0.766SS**SBend-140.8156.1124.1-174.448.3000112.2
125S30.3Very low40.6Very low100 Ų100130.4 Ų130.470%0.69977%0.771SS**  trans6165.3162.8-73.30000118.4
126A37.1Very low40.1Very low94 Ų94132.1 Ų132.178%0.77778%0.777SS**  trans-86.1145.2140.600000109.4
127P39.5Very low39.5Very low125 Ų125134 Ų13481%0.81278%0.782SS**  -147.112989.735.6-18.1000116.6
128A38.5Very low39.3Very low95 Ų95134 Ų13479%0.78579%0.789SS**  trans47.5107.6141.700000120.6
129V35.5Very low39.1Very low152 Ų152138.6 Ų138.692%0.92180%0.796SS**  -135.6153.1127.7-86.20000110.6
130D40.2Very low39.2Very low168 Ų168133.8 Ų133.890%0.89879%0.791SS**  trans-85.6125-173.7-175.3-108.3000111.1
131A34.8Very low39.4Very low96 Ų96136.4 Ų136.479%0.79380%0.799SS**  trans-162.4148169.100000110.9
132E38.2Very low39.6Very low202 Ų202133.2 Ų133.294%0.94479%0.792SS**  trans-97.6162.4-179.5-66.8169.9103.500112.6
133D36.3Very low39.6Very low149 Ų149136.5 Ų136.580%0.79780%0.796SS**  trans-91.5168-173.7-167.867.4000112.1
134P51.5Low39.9Very low97 Ų97132.6 Ų132.663%0.6379%0.787SS**  cis-123.4-157.8-38.337.9-23.5000113.1
135E34Very low39.9Very low176 Ų176132.3 Ų132.382%0.82279%0.786SS**  trans77.9146.7167.3-78.8-169.7-164.200118.3
136P42.9Very low40.7Very low104 Ų104133 Ų13368%0.67579%0.788SS**  cis-131162.926.643.8-29.2000118.5
137T35.1Very low41.1Very low107 Ų107136.9 Ų136.966%0.65679%0.79SS**  trans32.3118.4146.660.60000121.2
138P43.1Very low41.1Very low132 Ų132135 Ų13586%0.85778%0.78SS**  trans-82.5127.4136.132.8-27.3000110.3
139E41.7Very low41.7Very low180 Ų180136.3 Ų136.384%0.84178%0.778SS**  trans-82.9159.1165.2-69.1-176.1125.600110.5
140A41.7Very low42.4Very low87 Ų87135.8 Ų135.872%0.71977%0.765SS**  trans56.276.5166.200000116.7V142A140-V142 PolarHBondContact O-N 3.3Å
141I40.7Very low42.7Very low170 Ų170133.8 Ų133.887%0.87276%0.755SS**  trans-64.7120.1132.8-70.2169.2000105.5
142V44.8Very low43.3Very low119 Ų119136.2 Ų136.272%0.72175%0.754SS**  trans-77.9118.9164.6174.50000106.4A140 P144A140-V142 PolarHBondContact O-N 3.3Å; V142-P144 VanDerWaalsContact O-CD 3.3Å; V142-P144 WeakPolarHBondContact O-CD 3.47Å
143E45.2Very low43.9Very low173 Ų173130.7 Ų130.781%0.80873%0.734SS**  trans-71.2113.9165.5-176.7165.7-14600107.3D145E143-D145 PolarHBondContact O-N 3.4Å
144P49.4Very low44.8Very low109 Ų109130.4 Ų130.471%0.70873%0.728SS**  trans-71.1125166.430.4-30.8000107.8V142V142-P144 VanDerWaalsContact O-CD 3.3Å; V142-P144 WeakPolarHBondContact O-CD 3.47Å
145D37.8Very low44.7Very low144 Ų144132.2 Ų132.277%0.7773%0.732SS**  trans-57.9134.3171.8-150.817.6000108.7E143 E147E143-D145 PolarHBondContact O-N 3.4Å; D145-E147 PolarHBondContact O-N 3.01Å
146P46.7Very low45.6Very low114 Ų114128.8 Ų128.874%0.7472%0.723SS**  trans-73.690.6177.929.6-33.7000110.1S148P146-S148 PolarHBondContact O-N 3.27Å
147E45Very low46Very low176 Ų176129 Ų12982%0.82272%0.717SS**  trans-54.5131.6170.1-66.5-177.3148.700110.1D145 V149D145-E147 PolarHBondContact O-N 3.01Å; E147-V149 PolarHBondContact O-N 2.85Å
148S41Very low46.6Very low84 Ų84131.5 Ų131.559%0.58772%0.721SS**  trans-61.3122-170.5-63.70000112.4P146 E150P146-S148 PolarHBondContact O-N 3.27Å; S148-E150 PolarHBondContact O-N 3Å
149V50.1Low46.9Very low123 Ų123128.5 Ų128.575%0.74571%0.708SS**SBendtrans-83.725.7176.5-65.80000113.3E147E147-V149 PolarHBondContact O-N 2.85Å
150E49.3Very low47Very low141 Ų141123.4 Ų123.466%0.65970%0.697SS**SBendtrans-92.7-43.2-172.7-64.9178.7120.800111.9S148 L152 T153S148-E150 PolarHBondContact O-N 3Å; E150-L152 VanDerWaalsContact C-N 3.28Å; E150-L152 PolarHBondContact O-N 3.1Å; E150-T153 PolarHBondContact O-N 3.26Å; E150-T153 PolarHBondContact O-OG1 2.84Å
151D48Very low47.4Very low127 Ų127124 Ų12468%0.67969%0.691SS**Hα-helixtrans-56.9-36.8178.6-74.6-79.7000113.5T153 E154D151-T153 PolarHBondContact O-N 2.96Å; D151-E154 PolarHBondContact O-N 3.42Å
152L47.3Very low47.5Very low147 Ų147119.4 Ų119.477%0.7768%0.679SS**Hα-helixtrans-72.7-6.3-175.9-83.6167.1000114.6E150E150-L152 VanDerWaalsContact C-N 3.28Å; E150-L152 PolarHBondContact O-N 3.1Å
153T51.4Low47.6Very low86 Ų86121.6 Ų121.653%0.52868%0.681SS.*Hα-helixtrans-94.8-20176.739.70000114.8E150 D151 I157E150-T153 PolarHBondContact O-N 3.26Å; E150-T153 PolarHBondContact O-OG1 2.84Å; D151-T153 PolarHBondContact O-N 2.96Å; T153-I157 VanDerWaalsContact O-CD1 3.22Å; T153-I157 WeakPolarHBondContact O-CD1 3.23Å; T153-I157 WeakPolarHBondContact O-CG1 3.22Å
154E53.5Low47.5Very low143 Ų143120.7 Ų120.767%0.66868%0.677SS**Hα-helixtrans-90.4-44.9-172.9-59.4-166.2128.800112.6D151 V156 I157D151-E154 PolarHBondContact O-N 3.42Å; E154-V156 PolarHBondContact O-N 3.32Å; E154-V156 VanDerWaalsContact O-N 3.11Å; E154-I157 PolarHBondContact O-N 3.2Å
155D49.9Very low47Very low135 Ų135121.4 Ų121.472%0.72268%0.679SS**Hα-helixtrans-53.9-32.3176.5-107.9-56.8000113.6I157D155-I157 VanDerWaalsContact C-N 3.33Å
156V54Low47.1Very low104 Ų104118.2 Ų118.263%0.6367%0.673SS**Hα-helixtrans-76.2-21.6-178.8-178.40000112.2E154E154-V156 PolarHBondContact O-N 3.32Å; E154-V156 VanDerWaalsContact O-N 3.11Å
157I50.2Low47.1Very low109 Ų109117.2 Ų117.256%0.55967%0.674SS**Hα-helixtrans-85.1-41.3-175.7-63170000111.1T153 E154 D155 A159 A160 V161T153-I157 VanDerWaalsContact O-CD1 3.22Å; T153-I157 WeakPolarHBondContact O-CD1 3.23Å; T153-I157 WeakPolarHBondContact O-CG1 3.22Å; E154-I157 PolarHBondContact O-N 3.2Å; D155-I157 VanDerWaalsContact C-N 3.33Å; I157-A159 VanDerWaalsContact C-N 3.31Å; I157-A159 PolarHBondContact O-N 3.19Å; I157-A160 PolarHBondContact O-N 2.87Å; I157-V161 PolarHBondContact O-N 3.07Å
158E47.2Very low46.8Very low158 Ų158114.7 Ų114.774%0.73867%0.673SS**Hα-helixtrans-61.9-38.8177.7-68.8-152.5131.900112.3A160 V161 A162E158-A160 VanDerWaalsContact C-N 3.25Å; E158-A160 PolarHBondContact O-N 3.31Å; E158-V161 PolarHBondContact O-N 3.21Å; E158-A162 PolarHBondContact O-N 2.83Å
159A49.6Very low46.3Very low70 Ų70116 Ų11658%0.57968%0.682SS**Hα-helixtrans-59.7-33.2178.900000113.4I157I157-A159 VanDerWaalsContact C-N 3.31Å; I157-A159 PolarHBondContact O-N 3.19Å
160A44.6Very low46Very low73 Ų73117.7 Ų117.760%0.60369%0.686SS**Hα-helixtrans-79.8-25.6-179.400000113.4I157 E158I157-A160 PolarHBondContact O-N 2.87Å; E158-A160 VanDerWaalsContact C-N 3.25Å; E158-A160 PolarHBondContact O-N 3.31Å
161V50.3Low45.7Very low99 Ų99120 Ų12060%0.670%0.697SS**Hα-helixtrans-78.6-29.7-179.4176.90000111.6I157 E158 E163 E164I157-V161 PolarHBondContact O-N 3.07Å; E158-V161 PolarHBondContact O-N 3.21Å; V161-E163 VanDerWaalsContact C-N 3.32Å; V161-E163 PolarHBondContact O-N 3.12Å; V161-E164 PolarHBondContact O-N 2.97Å
162A42.1Very low45.2Very low74 Ų74118.7 Ų118.761%0.61270%0.703SS**THydrogen-bonded Turntrans-70.7-19-177.900000114.9E158E158-A162 PolarHBondContact O-N 2.83Å
163E46.5Very low45Very low165 Ų165120.4 Ų120.477%0.77171%0.708SS**THydrogen-bonded Turntrans-86.9-22.3179-151174.4145.900112.9V161 T165V161-E163 VanDerWaalsContact C-N 3.32Å; V161-E163 PolarHBondContact O-N 3.12Å; E163-T165 PolarHBondContact O-N 3.32Å; E163-T165 VanDerWaalsContact O-N 3.11Å
164E44.2Very low44.5Very low154 Ų154122.3 Ų122.372%0.7272%0.722SS**THydrogen-bonded Turntrans-76.49.8179.9-142.4-167.2111.400113.9K73 V161K73-E164 IonicContact NZ-OE1 3.1Å; K73-E164 IonicContact NZ-OE2 2.63Å; K73-E164 PolarHBondContact NZ-OE2 2.78Å; K73-E164 VanDerWaalsContact NZ-OE2 3.1Å; V161-E164 PolarHBondContact O-N 2.97Å
165T38.3Very low44Very low123 Ų123123.1 Ų123.176%0.75573%0.725SS**THydrogen-bonded Turntrans-117.93.3175.577.50000114.9E163 A167E163-T165 PolarHBondContact O-N 3.32Å; E163-T165 VanDerWaalsContact O-N 3.11Å; T165-A167 PolarHBondContact O-N 3.34Å
166A40Very low43.8Very low77 Ų77122.9 Ų122.964%0.63673%0.729SS**SBendtrans-89.790.5177.300000111.1P168A166-P168 WeakPolarHBondContact O-CD 3.3Å
167A47.2Very low43.3Very low93 Ų93123.7 Ų123.777%0.76974%0.736SS**PPolyproline II helixtrans-58.3123.9-174.200000113.3T165 S169T165-A167 PolarHBondContact O-N 3.34Å; A167-S169 PolarHBondContact O-N 3.03Å
168P39.3Very low42.9Very low123 Ų123123.2 Ų123.280%0.79975%0.748SS**PPolyproline II helixtrans-71.7125.7171.228.9-32.6000110A166A166-P168 WeakPolarHBondContact O-CD 3.3Å
169S29.9Very low42.6Very low113 Ų113123 Ų12379%0.7975%0.747SS**PPolyproline II helixtrans-62.2138.4179.2-166.80000111.6A167 E171A167-S169 PolarHBondContact O-N 3.03Å; S169-E171 PolarHBondContact O-N 2.63Å
170L43.7Very low42.5Very low158 Ų158125.8 Ų125.883%0.82776%0.76SS**PPolyproline II helixtrans-62.5123.6158.3-61.8171.8000108.2
171E42.6Very low42.2Very low190 Ų190130 Ų13089%0.88876%0.764SS**  trans168.199.2144.8-98-178.993.700111.4S169S169-E171 PolarHBondContact O-N 2.63Å
172A36.8Very low41.5Very low98 Ų98134.7 Ų134.781%0.8178%0.777SS**  trans-17183.7157.100000111.3P174A172-P174 WeakPolarHBondContact O-CD 3.49Å
173E44.5Very low41.9Very low184 Ų184138.3 Ų138.386%0.8679%0.791SS**  trans-77134.5164-70.9-172117.100111
174P39.9Very low41.6Very low126 Ų126138.7 Ų138.782%0.81879%0.793SS**  trans-103.6102.1151.933.1-26.4000110.3A172A172-P174 WeakPolarHBondContact O-CD 3.49Å
175E44.5Very low41.7Very low160 Ų160136.8 Ų136.875%0.74879%0.793SS**  trans-61.8171.3166.1-81-157.9118.200112.5
176V45.1Very low42Very low130 Ų130139 Ų13979%0.78880%0.795SS**  trans85.2146.3160.1-41.50000119.1
177P42.6Very low42.2Very low121 Ų121140.8 Ų140.879%0.78680%0.8SS**  cis-131.1161.3-33.331.4-13.4000113.8
178A42.3Very low42.3Very low99 Ų99144.8 Ų144.882%0.81880%0.803SS**  trans-79.1130.6177.700000114.2
179E40.1Very low42.7Very low152 Ų152144.4 Ų144.471%0.7180%0.801SS**  trans-122.6115.1154-91.5-143.714400110.8K181E179-K181 PolarHBondContact O-N 2.84Å; E179-K181 IonicContact OE2-NZ 2.6Å; E179-K181 PolarHBondContact OE2-NZ 3.36Å
180P48.8Very low43.4Very low130 Ų130147.9 Ų147.984%0.84481%0.805SS**  trans-82.499.8-179.531.5-33.5000111.9
181K36.8Very low43.4Very low161 Ų161149.2 Ų149.270%0.781%0.807SS**  trans-10591.1170.2-69.5-163.1-17375.20112.3E179E179-K181 PolarHBondContact O-N 2.84Å; E179-K181 IonicContact OE2-NZ 2.6Å; E179-K181 PolarHBondContact OE2-NZ 3.36Å
182K37.5Very low43.6Very low198 Ų198147.6 Ų147.686%0.86180%0.802SS**  trans47.3116151-59.7178.3-176.9175.70117.8E184K182-E184 PolarHBondContact O-N 3.12Å; K182-E184 VanDerWaalsContact O-N 3.17Å
183V49.1Very low43.9Very low150 Ų150148 Ų14891%0.90980%0.797SS**  trans-53.2117.6154.3-179.60000109.6
184E41.5Very low44Very low173 Ų173148.3 Ų148.381%0.80880%0.798SS**  trans-107.2140156.4-164.2156.2-174.400105.3K182 E186K182-E184 PolarHBondContact O-N 3.12Å; K182-E184 VanDerWaalsContact O-N 3.17Å; E184-E186 PolarHBondContact O-N 2.88Å
185P44.8Very low44.2Very low113 Ų113148.8 Ų148.873%0.73480%0.798SS**  trans-65.4137.1-167.625.4-33.6000112
186E45.7Very low44.1Very low169 Ų169146.7 Ų146.779%0.7979%0.791SS**  trans-23.8119.3156.6-176.2173.3-174.900112.5E184 E188E184-E186 PolarHBondContact O-N 2.88Å; E186-E188 PolarHBondContact O-N 2.92Å
187P44.3Very low44.1Very low116 Ų116150.2 Ų150.275%0.75380%0.799SS**PPolyproline II helixtrans-64.9122.4163.528.3-30.8000107.3
188E48.3Very low44.3Very low176 Ų176152.1 Ų152.182%0.82280%0.797SS**PPolyproline II helixtrans-51.3133.7167.4-64.2170143.100107.6E186 E190E186-E188 PolarHBondContact O-N 2.92Å; E188-E190 PolarHBondContact O-N 3.36Å; E188-E190 VanDerWaalsContact O-N 3.1Å
189P49Very low44.3Very low115 Ų115153.3 Ų153.375%0.74779%0.79SS**PPolyproline II helixtrans-58.4122.2179.824.5-32.9000108.2E191P189-E191 PolarHBondContact O-N 2.78Å; P189-E191 VanDerWaalsContact O-N 3.16Å
190E44.3Very low44.5Very low187 Ų187152.3 Ų152.387%0.87480%0.797SS**PPolyproline II helixtrans-56125.2177.5-67.1-169.9149.500108.2E188 I192E188-E190 PolarHBondContact O-N 3.36Å; E188-E190 VanDerWaalsContact O-N 3.1Å; E190-I192 VanDerWaalsContact C-N 3.34Å; E190-I192 PolarHBondContact O-N 3.03Å
191E43.3Very low44.6Very low186 Ų186153.8 Ų153.887%0.86979%0.792SS**  trans-60.998.2179.9-69.7177.6157.700108.6P189 P193P189-E191 PolarHBondContact O-N 2.78Å; P189-E191 VanDerWaalsContact O-N 3.16Å; E191-P193 VanDerWaalsContact O-N 3.15Å
192I45.8Very low45Very low155 Ų155152.4 Ų152.480%0.79580%0.797SS**  trans-44.4121.2152.437.2169.6000106.2E190 E194E190-I192 VanDerWaalsContact C-N 3.34Å; E190-I192 PolarHBondContact O-N 3.03Å; I192-E194 PolarHBondContact O-N 2.73Å
193P43.1Very low45.1Very low107 Ų107151.6 Ų151.670%0.69580%0.801SS**  trans-58.4138.3-174.324.2-33.8000108.6E191 V195E191-P193 VanDerWaalsContact O-N 3.15Å; P193-V195 VanDerWaalsContact C-N 3.27Å; P193-V195 PolarHBondContact O-N 3.5Å
194E46.8Very low44.6Very low190 Ų190153.2 Ų153.289%0.88880%0.799SS**  trans-56.992.9173.8-67.9178.3128.900109I192 I196I192-E194 PolarHBondContact O-N 2.73Å; E194-I196 VanDerWaalsContact C-N 3.26Å; E194-I196 PolarHBondContact O-N 2.75Å
195V44.8Very low44.6Very low136 Ų136154 Ų15482%0.82480%0.802SS**  trans-72.197.2161.7178.90000104.2P193P193-V195 VanDerWaalsContact C-N 3.27Å; P193-V195 PolarHBondContact O-N 3.5Å
196I42.9Very low44.5Very low117 Ų117157.1 Ų157.160%0.681%0.807SS**  trans-43.7139.3-170.4-62.7160.3000111E194 E198E194-I196 VanDerWaalsContact C-N 3.26Å; E194-I196 PolarHBondContact O-N 2.75Å; I196-E198 HydrophobicContact CG2-CB 4.08Å; I196-E198 HydrophobicContact CG2-CG 3.79Å; I196-E198 PolarHBondContact O-N 3.34Å
197E44.9Very low43.8Very low203 Ų203157 Ų15795%0.94981%0.811SS**  trans-68.662.9167.5-62.3-178.713600110.5D199E197-D199 PolarHBondContact O-N 2.8Å
198E45.7Very low43.7Very low161 Ų161157.1 Ų157.175%0.75281%0.812SS**  trans-91.787175.2-105175.1168.800110.1I196I196-E198 HydrophobicContact CG2-CB 4.08Å; I196-E198 HydrophobicContact CG2-CG 3.79Å; I196-E198 PolarHBondContact O-N 3.34Å
199D42.5Very low43.5Very low125 Ų125153.3 Ų153.367%0.66881%0.811SS**  trans28.1110.7142.9-153.215.5000118.4E197 E201E197-D199 PolarHBondContact O-N 2.8Å; D199-E201 PolarHBondContact O-N 3.16Å
200P45.6Very low43Very low131 Ų131153.6 Ų153.685%0.85181%0.81SS**SBendtrans-79.440.5-17735.4-37.4000114.5
201E49.5Very low42.4Very low160 Ų160152.7 Ų152.775%0.74881%0.806SS**  trans-125.665.1178-72.8-158.9176.600114D199D199-E201 PolarHBondContact O-N 3.16Å
202V45.7Very low42Very low133 Ų133153.3 Ų153.381%0.80681%0.809SS**  trans-164.2110.9140.7-100.90000112.3
203L38.9Very low41.4Very low180 Ų180153.1 Ų153.194%0.94281%0.809SS**  trans-132.653.6155.2-79.9-176.6000110.6
204E39.5Very low40.9Very low185 Ų185152 Ų15286%0.86481%0.809SS**  trans-113.693.2166.3-68.8-160.3156.800111.2
205E42.3Very low40.5Very low188 Ų188149 Ų14988%0.87981%0.806SS**  trans41.490.8137.5-150.7161.6-162.400119.9
206E41.1Very low40.1Very low179 Ų179149.1 Ų149.184%0.83681%0.807SS**  trans28.6107.4140.5-167.5-178.5148.600119.8
207L32.6Very low39.5Very low167 Ų167152 Ų15287%0.87482%0.818SS**  trans-135.1142.4149.3-74.8179.5000111.7
208P42.1Very low38.7Very low118 Ų118150.1 Ų150.177%0.76681%0.809SS**  trans-85.9148.8-168.133.1-36.7000114.9
209A44Very low37.9Very low96 Ų96150.5 Ų150.579%0.79381%0.811SS**  trans-78.1160.9178.200000114.2
210V36.8Very low37.2Very low122 Ų122148.6 Ų148.674%0.73981%0.812SS**  trans-169.2128.5137.7132.90000114
211Q32.4Very low36.3Very low167 Ų167146.4 Ų146.478%0.7881%0.806SS**  trans46.3117.2151.6-61.315938.400121.5
212E34.2Very low35.5Very low200 Ų200147.8 Ų147.894%0.93581%0.812SS**  trans-89.1136.9146.9-176.9-176.6-171.300109
213D33.3Very low34.7Very low150 Ų150149.3 Ų149.380%0.80281%0.81SS**  trans-135.2136.2176.4-153.3-16.8000110.1
214A34.4Very low34.2Very low83 Ų83148.5 Ų148.569%0.68680%0.801SS**  trans-96.9151.5-160.400000114.2
215P37.5Very low33.8Very low128 Ų128144.9 Ų144.983%0.83179%0.792SS**  -140.6-177.712635.6-20.6000115.2
216V35.5Very low33.5Very low138 Ų138146 Ų14684%0.83679%0.794SS**  trans-115.3168.6-167.9172.10000111.4
217E31.5Very low33Very low178 Ų178146.2 Ų146.283%0.83280%0.795SS**  trans93.1145.2176.5-61.1-173.4168.400115.6
218E28.7Very low32.9Very low164 Ų164142.6 Ų142.677%0.76679%0.789SS**  cis-163.6148.3-26.5-167-175.6175.500108.9
219E28.7Very low32.4Very low168 Ų168146.1 Ų146.179%0.78579%0.787SS**  trans39.9119.7158.4-75.7-89.5109.800123.3
220A26.3Very low31.8Very low85 Ų85149.2 Ų149.270%0.70279%0.79SS**  82.7163.5128.100000123
221A28.5Very low31.7Very low86 Ų86147.2 Ų147.271%0.71179%0.787SS**  trans73.8128.2178.300000115.5
222E30.9Very low31.8Very low189 Ų189146 Ų14688%0.88378%0.781SS**  56.8130.170.5-63.3176.2-177.900111.6
223E29.4Very low31.7Very low165 Ų165143.7 Ų143.777%0.77177%0.771SS**  cis-169.2174.4-4.5-170.7-177.7173.300106
224E29.5Very low31.6Very low162 Ų162142.7 Ų142.776%0.75777%0.77SS**  trans70.9167.3147-123.1-167150.300122
225T30.6Very low31.7Very low109 Ų109146.8 Ų146.867%0.66978%0.775SS**  trans62.798.1163.551.90000120.4E227T225-E227 PolarHBondContact O-N 3.1Å
226K35.4Very low31.4Very low213 Ų213147.8 Ų147.893%0.92677%0.773SS**  trans-67.6107.2140.5-68.3-179.5177.8-175.40109.2
227E30.7Very low31.3Very low183 Ų183145.4 Ų145.486%0.85576%0.763SS**  trans-173142.4156.6-103.4-17317700106.8T225T225-E227 PolarHBondContact O-N 3.1Å
228A30.7Very low31.3Very low90 Ų90143.3 Ų143.374%0.74476%0.757SS**  cis-159.1172.3-8.900000108
229R31.8Very low31.5Very low192 Ų192143.8 Ų143.873%0.72576%0.759SS**  15987.9129.4-171.1175.3-145.2154.23.3111.1E232R229-E232 IonicContact CZ-OE2 3.75Å; R229-E232 IonicContact NH2-OE2 2.68Å; R229-E232 PolarHBondContact NH2-OE2 3.21Å
230D31.4Very low32.3Very low161 Ų161141.4 Ų141.486%0.86176%0.759SS**PPolyproline II helixtrans-67.2150.5139.7-152.4-50.6000108.1
231A35.5Very low32.7Very low81 Ų81145.2 Ų145.267%0.66976%0.764SS**PPolyproline II helixtrans-80.9155.1-164.200000113.3Q233A231-Q233 PolarHBondContact O-N 2.56Å
232E32.6Very low33Very low140 Ų140148 Ų14865%0.65476%0.762SS**PPolyproline II helixtrans-79.3125.4-176.5-71.7173.388.500112.8R229R229-E232 IonicContact CZ-OE2 3.75Å; R229-E232 IonicContact NH2-OE2 2.68Å; R229-E232 PolarHBondContact NH2-OE2 3.21Å
233Q33.6Very low33.2Very low153 Ų153147.2 Ų147.272%0.71576%0.758SS**  71.1104127.3-171-179115.900119.4A231A231-Q233 PolarHBondContact O-N 2.56Å
234T31.1Very low33.4Very low128 Ų128148 Ų14879%0.78576%0.762SS**  -152.2115.7124.920.90000107.3
235E35.6Very low33.7Very low170 Ų170149.5 Ų149.579%0.79477%0.766SS**  54.3106.286.6-62.3-162.5131.700111.9
236D31.7Very low34.7Very low149 Ų149149.3 Ų149.380%0.79777%0.767SS**  -172.3173.468.6-178.4-126.3000113.8
237S32.4Very low35.5Very low88 Ų88144.7 Ų144.762%0.61576%0.759SS**  trans70.188.2158.2-77.60000121.2
238D33.2Very low35.5Very low134 Ų134141 Ų14172%0.71776%0.759SS**  58.3107.6125.7-87-59.6000123.8
239Q32.2Very low35.4Very low174 Ų174140.4 Ų140.481%0.81376%0.762SS**  trans87.3134.6133-74.2171.664.100121.7
240P45.7Very low35.4Very low118 Ų118137.6 Ų137.677%0.76677%0.766SS**  trans-100.2166.1176.540.8-36.2000113.6
241M33.3Very low35.4Very low164 Ų164137.6 Ų137.681%0.80877%0.765SS**  trans162.8148.8153-96.1176.491.700108.8
242E35.9Very low35.3Very low144 Ų144141.7 Ų141.767%0.67377%0.77SS**  cis-166.6150.5-20.6-135.3177.9-174.200108.1
243E34.2Very low35.6Very low173 Ų173142.5 Ų142.581%0.80877%0.774SS**  trans59.7159.6165.3-55.7-172122.300117.2
244E35.5Very low35.9Very low183 Ų183140.5 Ų140.586%0.85578%0.775SS**  cis-138.1163.58.3-158.5177.2146.100110.8
245K34.4Very low35.9Very low192 Ų192138.9 Ų138.984%0.83576%0.764SS**  trans-89.6159.2179.7-114.8-148.1168.7-172.20112.8
246P51.1Low35.6Very low106 Ų106139 Ų13969%0.68876%0.764SS**  trans-89.9-161.4179.844.2-40.1000110.2
247P53.7Low35.5Very low116 Ų116139.5 Ų139.575%0.75376%0.762SS**  cis-143.7-161.94.444.4-23.8000116.4
248A30.1Very low35.6Very low104 Ų104144.3 Ų144.386%0.8678%0.775SS**  trans82.7141153.900000119.4
249G28.9Very low35.6Very low79 Ų79146.7 Ų146.781%0.81478%0.782SS**  trans162.488.5172.100000115.9
250V31Very low35.5Very low132 Ų132148.1 Ų148.180%0.879%0.788SS**  trans-44.8147.7163.1-172.20000113.5
251L31.6Very low35.1Very low161 Ų161151.2 Ų151.284%0.84379%0.793SS**  166.8161.2128.5-87.7166000114.5
252E33.8Very low35.1Very low168 Ų168151.4 Ų151.479%0.78579%0.792SS**  trans-100.1156.7-171.5-56.4144.9115.300114.2
253E37.8Very low34.9Very low156 Ų156152.4 Ų152.473%0.72980%0.796SS**  trans62.7173.2150.2-90.7-119.391.600118.8V255E253-V255 VanDerWaalsContact OE1-CG2 3.23Å; E253-V255 WeakPolarHBondContact OE1-CG2 3.4Å; E253-V255 PolarHBondContact OE1-N 2.68Å; E253-V255 VanDerWaalsContact OE1-N 3.12Å
254P40.9Very low34.7Very low112 Ų112152 Ų15273%0.72779%0.794SS**  cis-139.3172.31944.1-25000121.2
255V31Very low34.6Very low93 Ų93150.8 Ų150.856%0.56479%0.789SS**  trans-45.3147.5169.1-171.10000119E253 Q257E253-V255 VanDerWaalsContact OE1-CG2 3.23Å; E253-V255 WeakPolarHBondContact OE1-CG2 3.4Å; E253-V255 PolarHBondContact OE1-N 2.68Å; E253-V255 VanDerWaalsContact OE1-N 3.12Å; V255-Q257 HydrophobicContact CG1-CG 4.38Å
256Q29.7Very low34.5Very low172 Ų172149.6 Ų149.680%0.80479%0.786SS**  trans-169.9131.1141.2-97.5139.4103.100108
257Q28.9Very low33.4Very low160 Ų160151.2 Ų151.275%0.74879%0.789SS**  cis105.115234.3-85.8-166.9-30.100114.2V255V255-Q257 HydrophobicContact CG1-CG 4.38Å
258E33.7Very low32.6Very low189 Ų189150.5 Ų150.588%0.88379%0.793SS**  trans98.7100.2-166.3-63.4176.8179.300111.8
259E34Very low33.2Very low184 Ų184150.4 Ų150.486%0.8678%0.783SS**  cis73.4107.943.7-64.6-170.6165.900116.3
260E31.1Very low33.3Very low204 Ų204151 Ų15195%0.95378%0.781SS**  trans-164.7154.3139-113.1173.8-177.200110.1
261E35.8Very low33.4Very low184 Ų184153.8 Ų153.886%0.8679%0.785SS**  trans-121.2-174.2-170.6-64.9-177107.400113.1
262E33.7Very low33.7Very low168 Ų168154.3 Ų154.379%0.78578%0.783SS**  trans89.3115.7157.2-64.4-174.1157.700121.8
263E31.5Very low33.8Very low164 Ų164154.9 Ų154.977%0.76679%0.786SS**  trans73.9120.7130.6-62.7-169.3159.100125.1
264E31.3Very low33.5Very low165 Ų165151.4 Ų151.477%0.77178%0.784SS**  trans68.3142132.6-81-169.9159.700126.7
265E32.2Very low33.4Very low158 Ų158154.9 Ų154.974%0.73879%0.79SS**  trans75.3128146.2-77.4-167.8154.900125.5
266E32.1Very low33.6Very low167 Ų167158 Ų15878%0.7880%0.799SS**  trans73.1162.3137.9-74.9-155.9136.900124.4
267D28.2Very low33.7Very low139 Ų139156.1 Ų156.174%0.74380%0.799SS**  trans67.896.7166-101.3-130.8000121.3
268A37.1Very low33.7Very low101 Ų101157.9 Ų157.984%0.83581%0.805SS**  trans-103.1122.315100000111
269P42.1Very low33.6Very low102 Ų102152.2 Ų152.266%0.66279%0.79SS**  trans-94.7140.5156.7-323.6000109.8
270A32.1Very low33.6Very low92 Ų92152.6 Ų152.676%0.7679%0.792SS**  64.7137.651.400000112.9
271E33.9Very low33.5Very low190 Ų190146.1 Ų146.189%0.88878%0.78SS**  cis-115.7-160.5-0.5-61.3169.5105.500108.4
272E37.5Very low33.3Very low173 Ų173144.6 Ų144.681%0.80878%0.783SS**  cis-157.1135.415.8-124.1179.1139.100108.9
273E35Very low33.1Very low180 Ų180142.8 Ų142.884%0.84178%0.784SS**  trans42124.5143.7-56.6-75.396.900124.1
274A32.2Very low33.3Very low83 Ų83143.4 Ų143.469%0.68679%0.787SS**  169.5130.8101.200000115.3
275E38.4Very low33.4Very low184 Ų184143.8 Ų143.886%0.8679%0.789SS**  trans59.2141.2149.8-64.8171.6179.300119.8
276E35.1Very low33.5Very low160 Ų160144.7 Ų144.775%0.74879%0.793SS**  cis-155.9148.8-8.3-137.9-163.3144.100112.9
277T31.5Very low33.9Very low131 Ų131145.4 Ų145.480%0.80480%0.797SS**  trans69.2163.7160.669.40000121.6
278F28.8Very low34.2Very low197 Ų197147.9 Ų147.986%0.86480%0.803SS**  trans-164.1136.3-168.9160.6-79.6000108.4
279A32.2Very low34.4Very low71 Ų71148 Ų14859%0.58780%0.796SS**  trans173.5139.2144.700000111.8
280E33.1Very low34Very low192 Ų192150.2 Ų150.290%0.89781%0.807SS**  trans42.3148.2143.6-62.4174.611000121.2
281G30.5Very low34Very low68 Ų68154.4 Ų154.470%0.70181%0.808SS**  cis158.9101.8-0.400000110.6
282T31.2Very low34.1Very low151 Ų151153.8 Ų153.893%0.92681%0.805SS**PPolyproline II helixtrans-78.9127.3179.249.90000111.1
283T29.3Very low33.8Very low131 Ų131152.4 Ų152.480%0.80480%0.803SS**PPolyproline II helixtrans-97.8157.6179.351.50000113.3
284E34.8Very low33.4Very low177 Ų177153.1 Ų153.183%0.82780%0.798SS**PPolyproline II helixtrans-62.9172.8165.4-59.7134.7120.500110.6
285E33.3Very low33.2Very low173 Ų173156 Ų15681%0.80880%0.797SS**  cis-156.3136.141.7-104.1170153.100107.9
286E34.2Very low32.8Very low177 Ų177151.8 Ų151.883%0.82779%0.794SS**  115.5148.880.8-157179.3-147.800110.3
287E42Very low33Very low182 Ų182150 Ų15085%0.8580%0.796SS**  trans-109.3151.8176.7-63.6-177.711300111.2
288E34.6Very low32.7Very low190 Ų190147.9 Ų147.989%0.88879%0.787SS**  trans-144.7136.7142.9-89.3-137.1147.500112.4
289P40.9Very low32.7Very low105 Ų105146.8 Ų146.868%0.68278%0.784SS**PPolyproline II helixtrans-95.8125.1-178.334.8-33000113.6K291P289-K291 PolarHBondContact O-N 3.28Å
290V32.3Very low32.8Very low148 Ų148151.3 Ų151.390%0.89779%0.793SS**PPolyproline II helixtrans-75.5124.3173.7-173.10000110.4
291K33.8Very low33.2Very low179 Ų179147.8 Ų147.878%0.77879%0.787SS**PPolyproline II helixtrans-88.1128.2175.2-63.3178.6-178.675.40110.3P289P289-K291 PolarHBondContact O-N 3.28Å
292E36.1Very low33Very low177 Ų177148.9 Ų148.983%0.82779%0.789SS**PPolyproline II helixtrans-59.9136.9155.6-68.6-162.5117.300109.9
293L30Very low32.8Very low144 Ų144145.2 Ų145.275%0.75478%0.782SS**  -175.8134.7118.8-121.971.3000113
294R26.1Very low32.9Very low196 Ų196148.8 Ų148.874%0.7479%0.789SS**  84111.9127.6-162.5171.2-170.412029.6121.9
295E28Very low32.4Very low143 Ų143143.8 Ų143.867%0.66879%0.785SS**  trans51.6108.8142-59.9175.7117.900121.2
296A31.2Very low32.7Very low96 Ų96141.5 Ų141.579%0.79379%0.785SS**  33.1169108.300000121.5
297P39.8Very low32.5Very low121 Ų121137.1 Ų137.179%0.78678%0.779SS**  cis-137.6-163.60.843.4-24.8000115.1
298S24.1Very low32.3Very low88 Ų88137 Ų13762%0.61578%0.779SS**  trans81.7111.5146.2-173.60000120.9
299E28.8Very low32.2Very low173 Ų173136.7 Ų136.781%0.80878%0.777SS**  trans57.5130.7131.3-65156.49800123.8
300E33.7Very low31.8Very low167 Ų167136.4 Ų136.478%0.7878%0.784SS**  6.8143.2127.2-95.6-139.989.300119.4A302E300-A302 PolarHBondContact OE1-N 3.43Å
301P42.4Very low31.5Very low118 Ų118133 Ų13377%0.76678%0.779SS**  -153.9152.275.339.6-20.5000119.9
302A26.5Very low31.2Very low90 Ų90135.5 Ų135.574%0.74478%0.783SS**  trans35.9135.4134.700000122.8E300E300-A302 PolarHBondContact OE1-N 3.43Å
303G26.2Very low30.9Very low75 Ų75131 Ų13177%0.77377%0.772SS**  trans-1472.7-178.600000121
304E32Very low31Very low206 Ų206133.5 Ų133.596%0.96378%0.779SS**  trans62.7153.7172.9-59.1-169106.400120
305G23.8Very low31Very low71 Ų71130.5 Ų130.573%0.73278%0.778SS**  trans-88.5-160.3179.200000114.6
306P40.9Very low31Very low125 Ų125129.5 Ų129.581%0.81278%0.781SS**  cis-115.9156.838.66.518.5000113.9
307A28.9Very low30.8Very low85 Ų85128.5 Ų128.570%0.70277%0.773SS**  86.6162.45700000114.8
308E38.3Very low30.4Very low180 Ų180131.6 Ų131.684%0.84178%0.777SS**  trans70132.6-164.8-38.2-75.9112.100114.1
309E32.8Very low30.7Very low183 Ų183135.6 Ų135.686%0.85579%0.786SS**  cis-149.2155.4-25.2-172.2176.110500108.7
310A31.2Very low30.6Very low100 Ų100134.4 Ų134.483%0.82678%0.78SS**  trans-22.3140.2-178.600000120.7
311G27.3Very low30.2Very low76 Ų76132.2 Ų132.278%0.78478%0.779SS**  trans-141.9-44.3-179.800000119.2
312R28.1Very low29.7Very low231 Ų231135 Ų13587%0.87278%0.781SS**  trans59.2102.2177-176.6173.9177.880.79.2118.1
313S29.7Very low30.5Very low84 Ų84135.8 Ų135.859%0.58778%0.779SS**  trans35.7107.2143.169.10000121.2
314E31Very low31.5Very low196 Ų196137.1 Ų137.192%0.91677%0.774SS**  trans-168.8157142.9-99.2152.6-171.600103.8
315D26.6Very low31.4Very low133 Ų133135.5 Ų135.571%0.71177%0.766SS**  cis166.7140.1-16.3177.2-130.8000104.5
316V28.1Very low31.8Very low121 Ų121140.8 Ų140.873%0.73377%0.772SS**  trans63.4156.7160.3158.50000120.8
317A27.3Very low31.3Very low76 Ų76138.9 Ų138.963%0.62877%0.767SS**  trans72.7106.9160.700000121
318E30.2Very low31.4Very low185 Ų185139.1 Ų139.186%0.86477%0.769SS**  50152.7107.8-63.1-177.8142.900123.5
319E30.6Very low31.1Very low173 Ų173136.9 Ų136.981%0.80877%0.767SS**  trans96.8141.6145-108.6-169.3145.200123.1
320E27.6Very low30.9Very low147 Ų147135.4 Ų135.469%0.68777%0.765SS**  trans55.2102.3155.1-71.9-151.9113.500123.6
321T24.5Very low31.1Very low122 Ų122139.3 Ų139.375%0.74876%0.763SS**  84.6150.6121.664.10000123.2
322E31.4Very low31.3Very low175 Ų175143.9 Ų143.982%0.81876%0.764SS**  trans-74.5-160.1174-41177.4115.700111.8
323P45Very low31.4Very low108 Ų108140.5 Ų140.570%0.70176%0.759SS**  cis-137.8-144-3.132.7-5.6000112.7
324P45.6Very low31.6Very low102 Ų102141.2 Ų141.266%0.66277%0.769SS**  -129.7-163.7-65.534.8-16.3000115.2
325E30.1Very low32.5Very low172 Ų172137.2 Ų137.280%0.80476%0.76SS**  trans105.5121.4137.4-91.9175.1-148.100122.9
326E33.2Very low32.6Very low183 Ų183137.4 Ų137.486%0.85576%0.761SS**  trans37.6149.9144.6-61.1-160.1165.100123.2
327A31Very low32.7Very low85 Ų85139.4 Ų139.470%0.70276%0.762SS**  179.5164.254.100000115.5
328A29.4Very low32.8Very low90 Ų90143.4 Ų143.474%0.74477%0.768SS**  trans61.2128.8156.100000120.2
329V32.6Very low33Very low132 Ų132142.2 Ų142.280%0.876%0.762SS**  cis84.8114.738.7176.80000115.5
330D29.1Very low32.8Very low152 Ų152137.9 Ų137.981%0.81376%0.756SS**  -167.5179.7116.4-136-45.8000113.2
331K35.8Very low33Very low182 Ų182135.6 Ų135.679%0.79176%0.762SS**  trans-130.6164.4-166.2-57.2175178.5-177.80114.3
332Q30.6Very low33.3Very low172 Ų172136.1 Ų136.180%0.80477%0.765SS**  trans161.3160.4145.7-94.4-165.7-65.700110.2
333E31.3Very low33.7Very low161 Ų161134.3 Ų134.375%0.75276%0.756SS**  cis-175.5148.4-34.2-120.9-172.814400108.9
334A32.6Very low33.3Very low98 Ų98138.5 Ų138.581%0.8177%0.767SS**  trans74.4156.615800000121.7
335P50.4Low33.2Very low112 Ų112141.2 Ų141.273%0.72777%0.768SS**  trans-136-163.7-157.339.7-17.7000116.3
336L28.3Very low33.5Very low138 Ų138142.7 Ų142.772%0.72378%0.775SS**  trans116.5146.8154.2-61.8-178.3000118.7
337E29.6Very low33.6Very low163 Ų163139 Ų13976%0.76278%0.776SS**  trans68.1150.9155.8-70.1154.9-157.500117.1
338E30.1Very low33.5Very low159 Ų159145 Ų14574%0.74379%0.786SS**  cis-159.7169.90.4-133.4-175.1147.500111.6
339E34.2Very low33.6Very low161 Ų161145.2 Ų145.275%0.75278%0.783SS**  trans66.1120.5149.1-71.1-74.579.500125.2
340A27.5Very low33.8Very low81 Ų81146.1 Ų146.167%0.66978%0.778SS**  83.5110.6124.900000125
341A29.9Very low34.2Very low99 Ų99147 Ų14782%0.81878%0.777SS**  trans62.4150.1136.600000119.8
342V32.2Very low34.6Very low133 Ų133144.5 Ų144.581%0.80678%0.779SS**  cis-14317635.6171.10000111.3
343E39.8Very low34.5Very low138 Ų138142.9 Ų142.965%0.64578%0.781SS**  trans-37.4153.1161.8-70.1-175.897.200113.8K345E343-K345 IonicContact OE1-NZ 3.91Å; E343-K345 PolarHBondContact OE1-NZ 3.17Å
344E35.8Very low34.7Very low196 Ų196143.1 Ų143.192%0.91679%0.786SS**  -130.3-178.558.3-64-162.910800117
345K43.4Very low35Very low159 Ų159147.4 Ų147.469%0.69179%0.789SS**  trans-116.7148.4-175.8-41.8167.7-168.765.80108.4E343E343-K345 IonicContact OE1-NZ 3.91Å; E343-K345 PolarHBondContact OE1-NZ 3.17Å
346E36Very low34.4Very low203 Ų203151.1 Ų151.195%0.94980%0.797SS**  -145.9161.6129.4-80.3-132.4119.400108.3
347A36.5Very low34.7Very low106 Ų106154 Ų15488%0.87681%0.807SS**  trans-141.9126.3178.900000109.5
348F28.3Very low34.9Very low210 Ų210150.2 Ų150.292%0.92180%0.804SS**  trans-102.4142177.1-170.2-94.1000108.9
349S32.8Very low34.8Very low95 Ų95148.5 Ų148.566%0.66480%0.799SS**  trans-144161.2-179.5-142.20000110.7
350E36Very low35Very low150 Ų150150.5 Ų150.570%0.70181%0.809SS**  trans-68157.1-158.5-60.1100.7124.900118.1
351E37.5Very low35.3Very low172 Ų172154.4 Ų154.480%0.80481%0.813SS**  trans29.2131137.4-58.8-176.2130.100121.6
352P43.8Very low35.7Very low128 Ų128159 Ų15983%0.83182%0.818SS**  trans-94.2113.216034.3-27.1000112.3
353T29.2Very low35.8Very low138 Ų138160.8 Ų160.885%0.84782%0.817SS**  trans-80.3157.816045.80000111.3
354I35.1Very low35.3Very low166 Ų166161.5 Ų161.585%0.85183%0.825SS**  trans-124.7110.8-175.446.9161.9000113.2
355E37.5Very low35.2Very low189 Ų189156.1 Ų156.188%0.88381%0.813SS**  trans-136.6118.1158.1-67.4-177.4153.800104.6
356E38.1Very low34.8Very low189 Ų189157.9 Ų157.988%0.88382%0.824SS**  64.798.781.2-163.1176.8175.100113.7
357E35.7Very low34.9Very low199 Ų199157.8 Ų157.893%0.9382%0.824SS**  trans-147.3152.4157.6-97.5-105.5100.500107.2
358A32.5Very low34.8Very low84 Ų84161.1 Ų161.169%0.69482%0.821SS**  trans-133.2171.2-164.900000113.8
359D29Very low35.2Very low122 Ų122159.4 Ų159.465%0.65282%0.816SS**  trans59.5113.1165.2-108.6-81.3000118.9Q361D359-Q361 WeakPolarHBondContact OD1-CG 3.43Å; D359-Q361 PolarHBondContact OD1-NE2 3.36Å
360E37.5Very low35.6Very low203 Ų203158.7 Ų158.795%0.94981%0.809SS**  -151.9149.7122.2-117.1177.9-163.200109.9
361Q35.7Very low35.4Very low163 Ų163159.3 Ų159.376%0.76281%0.814SS**  trans-120.8130.8-160.7-56.9163.421.700111.9D359D359-Q361 WeakPolarHBondContact OD1-CG 3.43Å; D359-Q361 PolarHBondContact OD1-NE2 3.36Å
362E38.3Very low35.4Very low196 Ų196160.2 Ų160.292%0.91682%0.818SS**  trans-150.9102.8157.8-141.2168.8-150.600114.4
363E32.3Very low34.8Very low170 Ų170162.6 Ų162.679%0.79482%0.818SS**  trans16.8122142.5-147.5-179.9-133.600120.2
364L30.9Very low35.1Very low154 Ų154162.2 Ų162.281%0.80682%0.815SS**  171.7149.3109.3-91.5168.9000116.6
365A32.4Very low34.9Very low82 Ų82161.8 Ų161.868%0.67881%0.81SS**  trans7189.8150.300000121.6
366E34.8Very low34.6Very low196 Ų196159.9 Ų159.992%0.91680%0.801SS**  41.7106.9118.9-60.3175164.200120.4
367E38.1Very low34.2Very low201 Ų201157.8 Ų157.894%0.93979%0.793SS**  -143.5137.1124.2-157.9160.1-168.800111
368E34.8Very low34.1Very low177 Ų177156.8 Ų156.883%0.82779%0.788SS**  trans-84.3163178.3-84.3176.2159.700110.5
369E37.2Very low34.2Very low173 Ų173162.3 Ų162.381%0.80880%0.799SS**  cis-153.9178.611.1-108.9-112.9117.500109.6
370P41.4Very low34.5Very low80 Ų80164.9 Ų164.952%0.51981%0.807SS.*  trans-127.9-174.6-148.747.5-39000118.6
371M31Very low35Very low164 Ų164161.3 Ų161.381%0.80880%0.802SS**  trans62.1125.3150.2-75-179.8-64.200122.5
372E37.8Very low35.1Very low190 Ų190157.6 Ų157.689%0.88880%0.799SS**  -145.7107119.7-95.4176.2177.800104.2
373E31.4Very low35Very low179 Ų179157.9 Ų157.984%0.83680%0.8SS**  81.2145.468.6-161.6159.6-137.600113.1
374V34.7Very low35.4Very low129 Ų129158.1 Ų158.178%0.78280%0.799SS**  trans-134.3167.1-154.9-173.60000110.2
375E32.4Very low35.5Very low158 Ų158157.1 Ų157.174%0.73879%0.794SS**  trans122.8124.1145.8-66-166.6177.300118.4
376H30.6Very low35.4Very low148 Ų148156.9 Ų156.969%0.68580%0.799SS**  trans53.9159.7131.3-64.2-54.4000123.4
377M30.4Very low35.8Very low145 Ų145153.2 Ų153.271%0.71479%0.793SS**  cis-177.7-176.7-28.5-168.9153.768.500109.1
378E32.1Very low35.4Very low179 Ų179149.1 Ų149.184%0.83678%0.781SS**  trans100.9161155.4-52.4-162.3138.700119.6
379E35.4Very low35.3Very low199 Ų199148.3 Ų148.393%0.9378%0.778SS**  trans-106.3-177.7-153.3-64.4174.881.700115.6
380E36.3Very low35Very low176 Ų176147.5 Ų147.582%0.82277%0.774SS**  trans-65.5176174.7-49-171.4138.600114.6
381P46.4Very low34.7Very low128 Ų128151.7 Ų151.783%0.83179%0.786SS**  -148.1167.889.238.8-21.7000116.6
382A39.3Very low34.6Very low85 Ų85150.9 Ų150.970%0.70278%0.78SS**  trans-93.9166.3175.800000114.5
383E36Very low34.2Very low202 Ų202149 Ų14994%0.94478%0.776SS**  trans-172.5-164.8132.5-108-172.1-179.700114.1
384K40.7Very low34.3Very low176 Ų176144 Ų14477%0.76577%0.765SS**  trans-150.8171.4-142.1-163.6-172.2167.4-173.80115.8
385D33.3Very low34.3Very low133 Ų133146.6 Ų146.671%0.71177%0.769SS**  trans98.987.7150.8-69.1-47.5000123
386G29.4Very low34.3Very low76 Ų76147.6 Ų147.678%0.78477%0.773SS**  trans71.8-168135.200000121.1
387P42.8Very low34.4Very low119 Ų119148.3 Ų148.377%0.77378%0.777SS**  cis-147.2-176.5-13.138.5-16.5000117.9
388V30.9Very low34.8Very low115 Ų115149 Ų14970%0.69778%0.779SS**  trans78143.7155.6-121.70000125.2
389E31.5Very low34.7Very low161 Ų161149.5 Ų149.575%0.75278%0.78SS**  trans64.8152.5164.8-43.6-56.1175.400118.1
390E31.6Very low34.5Very low155 Ų155147 Ų14772%0.72477%0.77SS**  cis-157.2141.32.4-139.1169.6-16900110.5
391E33.8Very low34.5Very low169 Ų169146.3 Ų146.379%0.7977%0.767SS**  trans56.8156.7160.3-69.8-179165.400120
392E28.8Very low33.8Very low146 Ų146149.3 Ų149.368%0.68277%0.77SS**  cis-155.4150.1-2.4-133.3-163.3151.300110.8
393L30.2Very low33.6Very low151 Ų151153.5 Ų153.579%0.79178%0.775SS**  trans63.3142.3157.7-54.6165.6000120.1
394A33.1Very low34Very low73 Ų73150 Ų15060%0.60377%0.77SS**  cis-166.6146.7-19.600000110.7
395E34.9Very low33.7Very low185 Ų185145.5 Ų145.586%0.86477%0.765SS**  trans41109.3144.4-64.9173.9179.400117.6
396E32.3Very low33.8Very low178 Ų178148.6 Ų148.683%0.83278%0.776SS**  42.6135.363-80.8-179.2153.300112.9
397E34Very low34.2Very low163 Ų163153.8 Ų153.876%0.76278%0.779SS**  cis-155.1-166.622.6-135.1179.6170.900110.9
398E39Very low33.9Very low161 Ų161157.5 Ų157.575%0.75279%0.787SS**  trans-42.7161.4176.8-48.8179.1135.100118.5
399H29.4Very low34.2Very low189 Ų189160.9 Ų160.988%0.87580%0.795SS**  -152.6149.2119.9-138.4-85000113.7
400M31.8Very low35.1Very low145 Ų145158 Ų15871%0.71479%0.79SS**  trans-114.7164.6175.2-157.6-172-68.400110
401E35.6Very low35Very low163 Ų163157.2 Ų157.276%0.76280%0.796SS**  trans61.6123.2165.6-47.9-169137.800119.4
402E32.2Very low35.1Very low190 Ų190158.2 Ų158.289%0.88880%0.801SS**  169147.7104.3-88-160.7138.300111.5
403E35.3Very low35.4Very low173 Ų173159.7 Ų159.781%0.80881%0.808SS**  trans-79.5175166.1-59.8-168.3134.400111.3
404P42.6Very low35.8Very low128 Ų128160.9 Ų160.983%0.83181%0.809SS**  -146.9155.791.838.2-22.7000115.7
405A35Very low35.6Very low82 Ų82160.6 Ų160.668%0.67881%0.813SS**  trans-89.8154164.600000112.4
406E34.7Very low35.9Very low198 Ų198158.1 Ų158.193%0.92581%0.813SS**  trans-150.6165.4145.2-82.2-153.4153.300109.9
407E39.4Very low36Very low185 Ų185155.7 Ų155.786%0.86481%0.81SS**  trans-85.4161.4-160.1-54.2162.7116.800115.2
408E35.5Very low36.2Very low198 Ų198157 Ų15793%0.92582%0.816SS**  -178.8132.9117.2-97.3-164.6-177.900113.4
409E37.4Very low36.1Very low185 Ų185157.7 Ų157.786%0.86482%0.82SS**  trans-131.2170.8162.3-95-157.5171.400107.3
410P50.2Low36.6Very low101 Ų101157.7 Ų157.766%0.65682%0.82SS**  cis-134.5-165.85.336.5-15.5000113.8
411T28.8Very low36.7Very low139 Ų139158.9 Ų158.985%0.85382%0.824SS**  trans154170.2132.3460000114.7
412E36.6Very low36.5Very low189 Ų189158.4 Ų158.488%0.88383%0.826SS**  trans-106.6-162.8-156.8-51.1174.5124.900114.8
413E35.7Very low36.5Very low178 Ų178153.6 Ų153.683%0.83282%0.819SS**  trans73.3138.2173.1-69.2-171.1118.600117.6
414E37.7Very low36.6Very low175 Ų175154.1 Ų154.182%0.81882%0.821SS**  cis-150.3174.3-5.8-106-145123.300110.5
415G30.1Very low36.2Very low67 Ų67156 Ų15669%0.69182%0.818SS**  trans-76.2-162.9177.200000116
416P40.5Very low36.2Very low134 Ų134160.5 Ų160.587%0.8783%0.826SS**  -140.9175.571.641.2-27.1000116.3
417V33.7Very low36.1Very low126 Ų126159.3 Ų159.376%0.76482%0.82SS**  trans-116.8145.4173.5-72.90000111.3
418E39.3Very low35.6Very low191 Ų191158.8 Ų158.889%0.89382%0.817SS**  trans-149.1119.3150.8-67.6-171.7158.600104.1
419E37.1Very low35.5Very low175 Ų175156.6 Ų156.682%0.81881%0.809SS**  cis93.610643.7-74.4-165.9154.800114.7
420E39.3Very low35.2Very low189 Ų189155.7 Ų155.788%0.88381%0.805SS**  trans-166.8105.3135.8-101.2178.6-176.700103.7
421E33.6Very low34.4Very low170 Ų170159.4 Ų159.479%0.79481%0.813SS**  53.713279.4-67.5-150.7120.200113
422L31.2Very low34.9Very low154 Ų154161 Ų16181%0.80681%0.811SS**  cis-135.2165.524.1-74.1164.8000113.2
423A33.5Very low35.1Very low89 Ų89158.1 Ų158.174%0.73681%0.809SS**  trans-103.4166.4158.800000110.2
424E36.7Very low34.9Very low183 Ų183153.7 Ų153.786%0.85580%0.803SS**  trans-166.8164.4139.5-110162.7-161.400112.1
425E34.7Very low34.6Very low167 Ų167153.8 Ų153.878%0.7880%0.803SS**  trans-36.2143.8-171.2-62.2159.9144.900116.8
426E34.3Very low34.8Very low178 Ų178159.1 Ų159.183%0.83281%0.81SS**  cis75.4136.248.9-150-179.6-132.200114.3
427E32.7Very low34.5Very low173 Ų173162.2 Ų162.281%0.80881%0.813SS**  trans49.2118.2178.4-53.4-154144.400120.6
428H29.9Very low34.6Very low173 Ų173164.3 Ų164.380%0.80181%0.814SS**  -158.1158.6104.2-140.1-94.2000113.4
429M32.4Very low35.1Very low152 Ų152160.3 Ų160.375%0.74981%0.805SS**  trans-107.2174.5172.8-166.8179.7-6500109.6
430E31.6Very low34.9Very low166 Ų166156.1 Ų156.178%0.77680%0.8SS**  trans71.5155.2173.4-46.8173.2152.600112.5
431E34Very low34.7Very low180 Ų180155.9 Ų155.984%0.84180%0.799SS**  cis-151.6158.510.4-153.6175-163.600109.2
432E37.8Very low34.9Very low172 Ų172155.8 Ų155.880%0.80480%0.799SS**  trans-74.9158.3160.4-74.2-166.4155.400110.2
433P42.1Very low35.1Very low128 Ų128157 Ų15783%0.83180%0.8SS**  -141.4160.1118.438.2-27.5000114.7
434A30.6Very low34.9Very low86 Ų86156.2 Ų156.271%0.71180%0.801SS**  trans-102.5-170.7176.300000112.9
435E32.3Very low35Very low177 Ų177153.3 Ų153.383%0.82780%0.797SS**  trans90.7117.2161.4-56.8-169162.600120.1
436E34.1Very low34.9Very low178 Ų178151.2 Ų151.283%0.83280%0.796SS**  trans55.7123135.5-56.7-169.1156.900123
437E34.3Very low35Very low200 Ų200151 Ų15194%0.93580%0.795SS**  -158.4112.3109.2-113.5-173.8177.100112.8
438E35.4Very low35.1Very low169 Ų169151 Ų15179%0.7980%0.795SS**  trans-76.7-178.9153.4-86.9-93.1160.500109.2
439P48.8Very low35.3Very low108 Ų108152.5 Ų152.570%0.70180%0.802SS**  cis-145.7175.31444.5-25.7000119.2
440A33Very low35.1Very low86 Ų86149.1 Ų149.171%0.71181%0.806SS**  trans62.2167.5144.500000120.3
441E36.7Very low35.2Very low185 Ų185150.2 Ų150.286%0.86481%0.812SS**  cis-114.2-168.10.8-53.9-179.197.100109.5
442E36.4Very low35.1Very low168 Ų168148 Ų14879%0.78581%0.81SS**  cis-160.4145.516-141.7-169.6159.500109.4
443E35.7Very low35Very low180 Ų180149.4 Ų149.484%0.84182%0.817SS**  trans55.2118.1158.9-59.9-77.491.300123
444G29.2Very low34.6Very low72 Ų72152.2 Ų152.274%0.74282%0.819SS**  trans-87.7-131.9177.800000116.2
445P39.2Very low34.7Very low121 Ų121151.4 Ų151.479%0.78681%0.812SS**  cis-104.7-175.57.744.7-36.9000112.7
446V31.5Very low34.7Very low124 Ų124149.3 Ų149.375%0.75281%0.812SS**  cis74.5143.223.5-178.70000112.5
447E36.7Very low34.7Very low174 Ų174148.6 Ų148.681%0.81381%0.814SS**  cis-129.6-171.4928.6-151.130.200108.7
448E34.4Very low34.5Very low172 Ų172144 Ų14480%0.80481%0.81SS**  cis-161.469.526.4-165.5179.8-173.700113
449E36Very low34.5Very low204 Ų204140.6 Ų140.695%0.95381%0.81SS**  trans73.8153.6152-56.9-178.8175.500124.2
450G28.1Very low33.9Very low81 Ų81140 Ų14084%0.83582%0.815SS**  trans159.8107.617000000115.4
451E32.8Very low33.8Very low190 Ų190143.3 Ų143.389%0.88882%0.82SS**  trans-91.4136.2-176.1-60.3164.194.800114.7
452V32.8Very low34.1Very low134 Ų134143 Ų14381%0.81282%0.818SS**  trans175.7123.2133.3-88.80000108.1
453E33.9Very low34.2Very low200 Ų200143.7 Ų143.794%0.93582%0.821SS**  78.4169.180.2-68.6-133.7148.400115.3
454E33.6Very low34Very low187 Ų187140.5 Ų140.587%0.87481%0.814SS**  trans-94.1166.8-152.4-152.8-170.8172.500114.8
455A33.2Very low34.3Very low70 Ų70142 Ų14258%0.57982%0.82SS**  trans75.4125146.200000121
456T32Very low34.3Very low133 Ų133145.4 Ų145.482%0.81683%0.825SS**  trans68.1145.7141.255.10000121.4
457D34Very low34.7Very low163 Ų163148 Ų14887%0.87283%0.829SS**  trans44.6108.2149.5-112.3-92.4000120.6
458A31.9Very low34.6Very low103 Ų103148 Ų14885%0.85183%0.833SS**  trans-156.9144.3148.100000111.5
459A34.6Very low34.9Very low97 Ų97148 Ų14880%0.80283%0.834SS**  trans-104.1169168.100000111.4
460A35.3Very low35Very low97 Ų97147.4 Ų147.480%0.80283%0.831SS**  trans68.8133.9164.400000119.3
461L32.7Very low35.2Very low155 Ų155149.6 Ų149.681%0.81282%0.824SS**  -165.3119.4114.9-89.9173.1000105.4
462E42.3Very low35.2Very low177 Ų177148.2 Ų148.283%0.82782%0.817SS**  45.7108.487.6-91.1-155.8128.500115.1
463E38.8Very low35Very low183 Ų183147 Ų14786%0.85581%0.814SS**  trans-143.9114.2138.2-131.9-174.7168.400111.9
464T30.1Very low35.1Very low113 Ų113144 Ų14469%0.69381%0.81SS**  trans19.7126.3150.758.50000121.2
465A36.8Very low35.8Very low103 Ų103140.6 Ų140.685%0.85180%0.804SS**  trans-80143.1150.900000111.2
466E38.4Very low35.9Very low194 Ų194144.8 Ų144.891%0.90782%0.816SS**  trans-110.5151.8162.8-83.2-161.5119.400110.8
467E39.5Very low36.2Very low179 Ų179142.3 Ų142.384%0.83681%0.809SS**  trans-77.3150.5-176.7-61.3166.477.700113
468L36Very low36.3Very low172 Ų172144 Ų14490%0.90181%0.812SS**  trans-150.1110.1153.1-117.4170.6000111.1
469E40.5Very low36.8Very low173 Ų173148.1 Ų148.181%0.80881%0.813SS**  trans-84.4139.7170.8-55.7-179.8113.800110.7
470E37.1Very low36.9Very low191 Ų191150 Ų15089%0.89382%0.815SS**  trans-165.487.3144.7-113.6173.3-17500113.4
471D32.7Very low37.2Very low128 Ų128154.3 Ų154.368%0.68482%0.818SS**  35109126-166.4-134.3000121
472Q32Very low37.7Very low161 Ų161156.2 Ų156.275%0.75282%0.823SS**  174.1138.8113.5-99.1154.652.500119.1
473S30.1Very low37.6Very low108 Ų108156.9 Ų156.976%0.75583%0.826SS**  trans58.9107.6147.7600000123.9
474V35.6Very low37.5Very low138 Ų138152.8 Ų152.884%0.83682%0.823SS**  trans-66.7176140.3-77.50000112.3
475P47.9Very low38Very low115 Ų115156.6 Ų156.675%0.74783%0.833SS**  cis-138165.66.734.6-12.4000118.6
476D34.8Very low38.2Very low158 Ų158160.9 Ų160.985%0.84584%0.836SS**  36.1141.9125.1-143.8-131.8000124.7
477A38.2Very low38.2Very low80 Ų80156.3 Ų156.366%0.66183%0.831SS**  trans58.8129.1152.700000123.3
478E36.5Very low38.1Very low198 Ų198154.9 Ų154.993%0.92583%0.829SS**  -166155.1104.5-109.9-177.5164.600112.3
479E42.7Very low37.9Very low190 Ų190155.9 Ų155.989%0.88883%0.827SS**  trans-88.7152.6176.4-59.6168.8112.700111.6
480V37.7Very low38Very low138 Ų138151.2 Ų151.284%0.83682%0.818SS**  trans-142.7117.4161.6-179.20000110.6E482V480-E482 HydrophobicContact CG1-CG 4.47Å
481E41.9Very low38Very low186 Ų186148.6 Ų148.687%0.86981%0.81SS**  trans-81.7144.9161.8-54.2170.8125.700109.8
482E41.3Very low38.5Very low195 Ų195147.9 Ų147.991%0.91181%0.81SS**  trans-137.9123.8151.6-75.7-159.3143.300110.5V480V480-E482 HydrophobicContact CG1-CG 4.47Å
483E40.5Very low39Very low192 Ų192147.4 Ų147.490%0.89781%0.813SS**  trans-100.3165.6167.8-91.1-159.7125.400111
484A37.4Very low39.7Very low96 Ų96149.1 Ų149.179%0.79381%0.809SS**  trans74.6160.216300000116.5
485E40.7Very low40.1Very low193 Ų193148.6 Ų148.690%0.90280%0.797SS**  cis-125.1163.58.2-69.9-178.1118.900113.3
486E40.6Very low39.9Very low194 Ų194152 Ų15291%0.90780%0.803SS**  trans-69.9152.3164.8-53.9172.5106.800111.9
487A38.6Very low40.6Very low98 Ų98153.2 Ų153.281%0.8180%0.801SS**  trans-163.6100.5146.800000113.7
488D36.7Very low41.1Very low148 Ų148157.1 Ų157.179%0.79181%0.811SS**  trans14.1119.4134.4-159.4-82.8000119.1
489F31.9Very low41.7Very low193 Ų193155.8 Ų155.885%0.84680%0.804SS**  trans-149.8113.7140.8-154.8-90.4000112.1
490A43Very low42.7Very low75 Ų75153 Ų15362%0.6280%0.802SS**  trans-135.316217100000111.4
491D37.8Very low43.6Very low137 Ų137152.4 Ų152.473%0.73380%0.799SS**  trans80.9132.4163.9-147.8-140.5000119.3
492T41.9Very low44.7Very low112 Ų112152.9 Ų152.969%0.68780%0.802SS**  trans61.2147.9169.256.90000118.4
493D43.1Very low45.3Very low151 Ų151153 Ų15381%0.80782%0.816SS**  cis-145.3170.523.9-154.2-127.4000114.1
494E45Very low45.5Very low144 Ų144151.1 Ų151.167%0.67381%0.812SS**  trans-77.1176.8-172.6-92.7-171.175.300117
495Q43.8Very low45.9Very low127 Ų127153.9 Ų153.959%0.59381%0.813SS**  trans72.3110.1142.4-82.5168.749.700121.3
496H44.8Very low46.2Very low187 Ų187151.8 Ų151.887%0.86681%0.808SS**  121.6146.9121.7-72.7-23.9000120
497K47.8Very low46.5Very low184 Ų184149.3 Ų149.380%0.880%0.802SS**  trans-68.5155.1172.5-58.4161.3176.5173.40110.6
498D48.4Very low47Very low162 Ų162152.5 Ų152.587%0.86680%0.802SS**  -165.3166.1116.7-96.9-21000111.3
499E49.8Very low47.7Very low169 Ų169152.8 Ų152.879%0.7980%0.802SS**  trans-79.1150.4-169.2-57.8174.6130.500113.9T501E499-T501 PolarHBondContact O-N 3.09Å; E499-T501 VanDerWaalsContact O-N 3.09Å
500P64.1Low48.9Very low131 Ų131149.9 Ų149.985%0.85180%0.799SS**  trans-76.294.4171.231.7-34.1000111.7E502P500-E502 PolarHBondContact O-N 3.21Å
501T57.1Low49.3Very low126 Ų126155.7 Ų155.777%0.77381%0.813SS**  trans-75.599.2164.753.80000111E499E499-T501 PolarHBondContact O-N 3.09Å; E499-T501 VanDerWaalsContact O-N 3.09Å
502E64.4Low50.3Low197 Ų197157.3 Ų157.392%0.92182%0.82SS**  trans-79.2149.9165.1-157.2177.8149.400110.9P500P500-E502 PolarHBondContact O-N 3.21Å
503T52.9Low51Low197 Ų197161.4 Ų161.4100%1.20983%0.832SS**  trans-126.80-167.660.40000114.5

Retrieved 503 of 503 residues in 181 ms (Link to these results)